data_16250_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16250
_Entry.PDB_ID 2KHN
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 12 12 ALA H H 12 8.223 8.752 -0.529 1
1 2 . 1 1 1 A 12 12 ALA HA H 12 4.220 4.296 -0.076 1
1 6 . 1 1 1 A 12 12 ALA CA C 12 52.323 54.220 -1.897 1
1 7 . 1 1 1 A 12 12 ALA CB C 12 19.015 18.516 0.499 1
1 8 . 1 1 1 A 12 12 ALA N N 12 124.624 123.806 0.818 1
1 9 . 1 1 1 A 13 13 GLN H H 13 8.220 7.645 0.575 1
1 10 . 1 1 1 A 13 13 GLN HA H 13 4.292 4.814 -0.522 1
1 13 . 1 1 1 A 13 13 GLN CA C 13 55.457 54.571 0.886 1
1 14 . 1 1 1 A 13 13 GLN CB C 13 29.804 33.620 -3.816 1
1 15 . 1 1 1 A 13 13 GLN N N 13 119.119 113.899 5.220 1
1 16 . 1 1 1 A 14 14 PHE H H 14 8.109 8.908 -0.799 1
1 17 . 1 1 1 A 14 14 PHE HA H 14 4.559 5.069 -0.510 1
1 20 . 1 1 1 A 14 14 PHE CA C 14 58.250 56.097 2.153 1
1 21 . 1 1 1 A 14 14 PHE CB C 14 39.950 40.522 -0.572 1
1 22 . 1 1 1 A 14 14 PHE N N 14 121.712 123.465 -1.753 1
1 23 . 1 1 1 A 15 15 PRO HA H 15 4.492 4.716 -0.224 1
1 30 . 1 1 1 A 15 15 PRO CA C 15 63.047 62.085 0.962 1
1 31 . 1 1 1 A 15 15 PRO CB C 15 31.810 32.552 -0.742 1
1 34 . 1 1 1 A 16 16 THR H H 16 8.197 8.289 -0.092 1
1 35 . 1 1 1 A 16 16 THR HA H 16 4.614 4.341 0.273 1
1 40 . 1 1 1 A 16 16 THR CA C 16 59.526 59.575 -0.049 1
1 41 . 1 1 1 A 16 16 THR CB C 16 69.603 68.896 0.707 1
1 43 . 1 1 1 A 16 16 THR N N 16 115.700 113.187 2.513 1
1 44 . 1 1 1 A 17 17 PRO HA H 17 4.360 4.585 -0.225 1
1 51 . 1 1 1 A 17 17 PRO CA C 17 63.321 63.447 -0.126 1
1 52 . 1 1 1 A 17 17 PRO CB C 17 31.680 31.957 -0.277 1
1 55 . 1 1 1 A 18 18 PHE H H 18 8.212 7.852 0.360 1
1 56 . 1 1 1 A 18 18 PHE HA H 18 4.589 4.181 0.408 1
1 64 . 1 1 1 A 18 18 PHE CA C 18 57.648 59.046 -1.398 1
1 65 . 1 1 1 A 18 18 PHE CB C 18 39.165 35.937 3.228 1
1 69 . 1 1 1 A 18 18 PHE N N 18 119.185 114.993 4.192 1
1 70 . 1 1 1 A 19 19 GLY H H 19 8.250 8.010 0.240 1
1 71 . 1 1 1 A 19 19 GLY HA2 H 19 3.943 4.214 -0.271 1
1 72 . 1 1 1 A 19 19 GLY HA3 H 19 3.935 4.224 -0.289 1
1 73 . 1 1 1 A 19 19 GLY CA C 19 45.100 45.670 -0.570 1
1 74 . 1 1 1 A 19 19 GLY N N 19 110.566 105.892 4.674 1
1 75 . 1 1 1 A 20 20 GLY H H 20 7.873 8.374 -0.501 1
1 76 . 1 1 1 A 20 20 GLY HA2 H 20 3.964 3.864 0.100 1
1 77 . 1 1 1 A 20 20 GLY HA3 H 20 3.955 3.867 0.088 1
1 78 . 1 1 1 A 20 20 GLY CA C 20 45.056 46.670 -1.614 1
1 79 . 1 1 1 A 20 20 GLY N N 20 108.171 108.736 -0.565 1
1 80 . 1 1 1 A 21 21 SER H H 21 8.274 8.193 0.081 1
1 81 . 1 1 1 A 21 21 SER HA H 21 4.523 4.780 -0.257 1
1 84 . 1 1 1 A 21 21 SER CA C 21 57.951 58.086 -0.135 1
1 85 . 1 1 1 A 21 21 SER CB C 21 63.946 64.331 -0.385 1
1 86 . 1 1 1 A 21 21 SER N N 21 115.180 114.289 0.891 1
1 87 . 1 1 1 A 22 22 LEU H H 22 8.435 8.134 0.301 1
1 88 . 1 1 1 A 22 22 LEU HA H 22 4.302 4.455 -0.153 1
1 98 . 1 1 1 A 22 22 LEU CA C 22 55.846 56.020 -0.174 1
1 99 . 1 1 1 A 22 22 LEU CB C 22 42.229 43.531 -1.302 1
1 103 . 1 1 1 A 22 22 LEU N N 22 123.998 122.414 1.584 1
1 104 . 1 1 1 A 23 23 ASP H H 23 8.291 8.192 0.099 1
1 105 . 1 1 1 A 23 23 ASP HA H 23 4.494 4.900 -0.406 1
1 108 . 1 1 1 A 23 23 ASP CA C 23 54.981 52.683 2.298 1
1 109 . 1 1 1 A 23 23 ASP CB C 23 41.190 40.070 1.120 1
1 110 . 1 1 1 A 23 23 ASP N N 23 120.385 116.862 3.523 1
1 111 . 1 1 1 A 24 24 THR H H 24 8.010 7.743 0.267 1
1 112 . 1 1 1 A 24 24 THR HA H 24 3.770 3.567 0.203 1
1 117 . 1 1 1 A 24 24 THR CA C 24 64.590 66.463 -1.873 1
1 118 . 1 1 1 A 24 24 THR CB C 24 69.620 68.267 1.353 1
1 120 . 1 1 1 A 24 24 THR N N 24 117.799 117.769 0.030 1
1 121 . 1 1 1 A 25 25 TRP H H 25 7.780 7.671 0.109 1
1 122 . 1 1 1 A 25 25 TRP HA H 25 4.012 4.862 -0.850 1
1 131 . 1 1 1 A 25 25 TRP CA C 25 57.837 56.463 1.374 1
1 132 . 1 1 1 A 25 25 TRP CB C 25 28.842 29.648 -0.806 1
1 138 . 1 1 1 A 25 25 TRP N N 25 118.659 117.278 1.381 1
1 140 . 1 1 1 A 26 26 ALA H H 26 7.101 7.359 -0.258 1
1 141 . 1 1 1 A 26 26 ALA HA H 26 3.949 4.880 -0.931 1
1 145 . 1 1 1 A 26 26 ALA CA C 26 52.102 50.294 1.808 1
1 146 . 1 1 1 A 26 26 ALA CB C 26 18.840 23.024 -4.184 1
1 147 . 1 1 1 A 26 26 ALA N N 26 117.054 121.014 -3.960 1
1 148 . 1 1 1 A 27 27 ILE H H 27 8.687 8.924 -0.237 1
1 149 . 1 1 1 A 27 27 ILE HA H 27 4.332 4.645 -0.313 1
1 159 . 1 1 1 A 27 27 ILE CA C 27 61.430 60.545 0.885 1
1 160 . 1 1 1 A 27 27 ILE CB C 27 38.550 38.706 -0.156 1
1 164 . 1 1 1 A 27 27 ILE N N 27 125.107 120.408 4.699 1
1 165 . 1 1 1 A 28 28 THR H H 28 8.981 8.781 0.200 1
1 166 . 1 1 1 A 28 28 THR HA H 28 4.760 4.664 0.096 1
1 171 . 1 1 1 A 28 28 THR CA C 28 60.685 60.673 0.012 1
1 172 . 1 1 1 A 28 28 THR CB C 28 71.252 71.253 -0.001 1
1 174 . 1 1 1 A 28 28 THR N N 28 118.938 120.632 -1.694 1
1 175 . 1 1 1 A 29 29 VAL H H 29 8.612 8.816 -0.204 1
1 176 . 1 1 1 A 29 29 VAL HA H 29 3.532 3.972 -0.440 1
1 184 . 1 1 1 A 29 29 VAL CA C 29 66.349 64.893 1.456 1
1 185 . 1 1 1 A 29 29 VAL CB C 29 31.799 31.683 0.116 1
1 188 . 1 1 1 A 29 29 VAL N N 29 119.411 122.473 -3.062 1
1 189 . 1 1 1 A 30 30 GLU H H 30 8.432 8.383 0.049 1
1 190 . 1 1 1 A 30 30 GLU HA H 30 4.011 4.134 -0.123 1
1 195 . 1 1 1 A 30 30 GLU CA C 30 59.597 59.824 -0.227 1
1 196 . 1 1 1 A 30 30 GLU CB C 30 28.912 29.683 -0.771 1
1 198 . 1 1 1 A 30 30 GLU N N 30 119.890 122.128 -2.238 1
1 199 . 1 1 1 A 31 31 GLU H H 31 7.737 8.270 -0.533 1
1 200 . 1 1 1 A 31 31 GLU HA H 31 3.604 4.123 -0.519 1
1 205 . 1 1 1 A 31 31 GLU CA C 31 58.718 58.653 0.065 1
1 206 . 1 1 1 A 31 31 GLU CB C 31 30.666 29.326 1.340 1
1 208 . 1 1 1 A 31 31 GLU N N 31 120.821 120.185 0.636 1
1 209 . 1 1 1 A 32 32 ARG H H 32 8.382 8.128 0.254 1
1 210 . 1 1 1 A 32 32 ARG HA H 32 3.998 3.994 0.004 1
1 213 . 1 1 1 A 32 32 ARG CA C 32 57.356 59.271 -1.915 1
1 214 . 1 1 1 A 32 32 ARG CB C 32 28.870 30.098 -1.228 1
1 215 . 1 1 1 A 32 32 ARG N N 32 117.523 120.779 -3.256 1
1 216 . 1 1 1 A 33 33 ALA H H 33 7.919 7.881 0.038 1
1 217 . 1 1 1 A 33 33 ALA HA H 33 4.248 3.931 0.317 1
1 221 . 1 1 1 A 33 33 ALA CA C 33 55.007 54.875 0.132 1
1 222 . 1 1 1 A 33 33 ALA CB C 33 17.601 18.294 -0.693 1
1 223 . 1 1 1 A 33 33 ALA N N 33 119.982 120.882 -0.900 1
1 224 . 1 1 1 A 34 34 LYS H H 34 7.212 8.264 -1.052 1
1 225 . 1 1 1 A 34 34 LYS HA H 34 4.194 3.924 0.270 1
1 234 . 1 1 1 A 34 34 LYS CA C 34 58.852 59.004 -0.152 1
1 235 . 1 1 1 A 34 34 LYS CB C 34 31.598 31.896 -0.298 1
1 239 . 1 1 1 A 34 34 LYS N N 34 119.567 117.316 2.251 1
1 240 . 1 1 1 A 35 35 HIS H H 35 8.814 7.928 0.886 1
1 241 . 1 1 1 A 35 35 HIS HA H 35 4.923 4.489 0.434 1
1 244 . 1 1 1 A 35 35 HIS CA C 35 57.821 58.905 -1.084 1
1 245 . 1 1 1 A 35 35 HIS CB C 35 29.950 28.699 1.251 1
1 246 . 1 1 1 A 35 35 HIS N N 35 122.252 116.758 5.494 1
1 247 . 1 1 1 A 36 36 ASP H H 36 9.292 8.340 0.952 1
1 248 . 1 1 1 A 36 36 ASP HA H 36 4.454 4.604 -0.150 1
1 251 . 1 1 1 A 36 36 ASP CA C 36 57.305 58.011 -0.706 1
1 252 . 1 1 1 A 36 36 ASP CB C 36 39.889 41.506 -1.617 1
1 253 . 1 1 1 A 36 36 ASP N N 36 118.831 122.874 -4.043 1
1 254 . 1 1 1 A 37 37 GLN H H 37 7.673 8.152 -0.479 1
1 255 . 1 1 1 A 37 37 GLN HA H 37 4.241 4.053 0.188 1
1 262 . 1 1 1 A 37 37 GLN CA C 37 59.019 59.447 -0.428 1
1 263 . 1 1 1 A 37 37 GLN CB C 37 28.315 28.482 -0.167 1
1 265 . 1 1 1 A 37 37 GLN N N 37 120.072 119.209 0.863 1
1 266 . 1 1 1 A 38 38 GLN H H 38 8.329 8.163 0.166 1
1 267 . 1 1 1 A 38 38 GLN HA H 38 4.040 4.169 -0.129 1
1 274 . 1 1 1 A 38 38 GLN CA C 38 58.734 58.956 -0.222 1
1 275 . 1 1 1 A 38 38 GLN CB C 38 28.549 28.774 -0.225 1
1 277 . 1 1 1 A 38 38 GLN N N 38 120.847 118.717 2.130 1
1 279 . 1 1 1 A 39 39 PHE H H 39 9.453 8.322 1.131 1
1 280 . 1 1 1 A 39 39 PHE HA H 39 2.811 3.820 -1.009 1
1 286 . 1 1 1 A 39 39 PHE CA C 39 61.602 61.228 0.374 1
1 287 . 1 1 1 A 39 39 PHE CB C 39 38.799 38.945 -0.146 1
1 291 . 1 1 1 A 39 39 PHE N N 39 123.507 122.382 1.125 1
1 292 . 1 1 1 A 40 40 HIS H H 40 8.096 8.290 -0.194 1
1 293 . 1 1 1 A 40 40 HIS HA H 40 3.884 4.001 -0.117 1
1 297 . 1 1 1 A 40 40 HIS CA C 40 59.910 59.952 -0.042 1
1 298 . 1 1 1 A 40 40 HIS CB C 40 29.558 29.492 0.066 1
1 300 . 1 1 1 A 40 40 HIS N N 40 114.319 118.871 -4.552 1
1 301 . 1 1 1 A 41 41 SER H H 41 7.818 7.916 -0.098 1
1 302 . 1 1 1 A 41 41 SER HA H 41 4.300 4.371 -0.071 1
1 305 . 1 1 1 A 41 41 SER CA C 41 60.851 61.748 -0.897 1
1 306 . 1 1 1 A 41 41 SER CB C 41 62.612 63.390 -0.778 1
1 307 . 1 1 1 A 41 41 SER N N 41 116.677 115.515 1.162 1
1 308 . 1 1 1 A 42 42 LEU H H 42 7.079 7.171 -0.092 1
1 309 . 1 1 1 A 42 42 LEU HA H 42 4.071 4.052 0.019 1
1 319 . 1 1 1 A 42 42 LEU CA C 42 54.685 54.774 -0.089 1
1 320 . 1 1 1 A 42 42 LEU CB C 42 40.874 41.683 -0.809 1
1 324 . 1 1 1 A 42 42 LEU N N 42 121.868 117.985 3.883 1
1 325 . 1 1 1 A 43 43 LYS H H 43 7.345 7.675 -0.330 1
1 326 . 1 1 1 A 43 43 LYS HA H 43 3.877 3.759 0.118 1
1 335 . 1 1 1 A 43 43 LYS CA C 43 56.035 56.618 -0.583 1
1 336 . 1 1 1 A 43 43 LYS CB C 43 28.886 30.315 -1.429 1
1 340 . 1 1 1 A 43 43 LYS N N 43 110.393 115.390 -4.997 1
1 341 . 1 1 1 A 44 44 PRO HA H 44 4.239 4.089 0.150 1
1 348 . 1 1 1 A 44 44 PRO CA C 44 62.424 62.674 -0.250 1
1 349 . 1 1 1 A 44 44 PRO CB C 44 32.413 32.031 0.382 1
1 352 . 1 1 1 A 45 45 ILE H H 45 8.586 8.408 0.178 1
1 353 . 1 1 1 A 45 45 ILE HA H 45 4.337 3.708 0.629 1
1 363 . 1 1 1 A 45 45 ILE CA C 45 60.170 63.261 -3.091 1
1 364 . 1 1 1 A 45 45 ILE CB C 45 39.143 38.253 0.890 1
1 368 . 1 1 1 A 45 45 ILE N N 45 120.985 121.543 -0.558 1
1 369 . 1 1 1 A 46 46 SER H H 46 9.512 6.982 2.530 1
1 370 . 1 1 1 A 46 46 SER HA H 46 4.055 4.574 -0.519 1
1 373 . 1 1 1 A 46 46 SER CA C 46 58.483 57.260 1.223 1
1 374 . 1 1 1 A 46 46 SER CB C 46 62.174 63.425 -1.251 1
1 375 . 1 1 1 A 46 46 SER N N 46 124.158 113.342 10.816 1
1 376 . 1 1 1 A 47 47 GLY H H 47 8.555 8.143 0.412 1
1 377 . 1 1 1 A 47 47 GLY HA2 H 47 4.020 3.891 0.129 1
1 378 . 1 1 1 A 47 47 GLY HA3 H 47 3.531 4.021 -0.490 1
1 379 . 1 1 1 A 47 47 GLY CA C 47 44.328 45.519 -1.191 1
1 380 . 1 1 1 A 47 47 GLY N N 47 162.194 109.745 52.449 1
1 381 . 1 1 1 A 48 48 PHE H H 48 7.710 7.330 0.380 1
1 382 . 1 1 1 A 48 48 PHE HA H 48 5.783 5.513 0.270 1
1 387 . 1 1 1 A 48 48 PHE CA C 48 56.732 55.689 1.043 1
1 388 . 1 1 1 A 48 48 PHE CB C 48 43.784 41.517 2.267 1
1 391 . 1 1 1 A 48 48 PHE N N 48 115.641 114.610 1.031 1
1 392 . 1 1 1 A 49 49 ILE H H 49 9.141 8.979 0.162 1
1 393 . 1 1 1 A 49 49 ILE HA H 49 4.908 4.826 0.082 1
1 403 . 1 1 1 A 49 49 ILE CA C 49 59.368 59.024 0.344 1
1 404 . 1 1 1 A 49 49 ILE CB C 49 39.945 41.216 -1.271 1
1 408 . 1 1 1 A 49 49 ILE N N 49 114.692 116.574 -1.882 1
1 409 . 1 1 1 A 50 50 THR H H 50 8.700 8.511 0.189 1
1 410 . 1 1 1 A 50 50 THR HA H 50 4.473 4.986 -0.513 1
1 415 . 1 1 1 A 50 50 THR CA C 50 60.914 60.041 0.873 1
1 416 . 1 1 1 A 50 50 THR CB C 50 70.829 70.553 0.276 1
1 418 . 1 1 1 A 50 50 THR N N 50 112.658 115.400 -2.742 1
1 419 . 1 1 1 A 51 51 GLY H H 51 8.778 9.416 -0.638 1
1 420 . 1 1 1 A 51 51 GLY HA2 H 51 3.790 3.669 0.121 1
1 421 . 1 1 1 A 51 51 GLY HA3 H 51 3.713 3.790 -0.077 1
1 422 . 1 1 1 A 51 51 GLY CA C 51 48.310 46.800 1.510 1
1 423 . 1 1 1 A 51 51 GLY N N 51 108.204 114.094 -5.890 1
1 424 . 1 1 1 A 52 52 ASP H H 52 8.225 8.067 0.158 1
1 425 . 1 1 1 A 52 52 ASP HA H 52 4.216 4.201 0.015 1
1 428 . 1 1 1 A 52 52 ASP CA C 52 57.344 57.110 0.234 1
1 429 . 1 1 1 A 52 52 ASP CB C 52 40.304 41.153 -0.849 1
1 430 . 1 1 1 A 52 52 ASP N N 52 119.404 121.390 -1.986 1
1 431 . 1 1 1 A 53 53 GLN H H 53 7.810 7.511 0.299 1
1 432 . 1 1 1 A 53 53 GLN HA H 53 3.969 3.898 0.071 1
1 439 . 1 1 1 A 53 53 GLN CA C 53 58.673 58.437 0.236 1
1 440 . 1 1 1 A 53 53 GLN CB C 53 29.794 28.153 1.641 1
1 442 . 1 1 1 A 53 53 GLN N N 53 118.935 117.385 1.550 1
1 444 . 1 1 1 A 54 54 ALA H H 54 8.293 8.308 -0.015 1
1 445 . 1 1 1 A 54 54 ALA HA H 54 3.642 3.621 0.021 1
1 449 . 1 1 1 A 54 54 ALA CA C 54 55.243 55.012 0.231 1
1 450 . 1 1 1 A 54 54 ALA CB C 54 19.448 17.890 1.558 1
1 451 . 1 1 1 A 54 54 ALA N N 54 120.858 122.735 -1.877 1
1 452 . 1 1 1 A 55 55 ARG H H 55 8.744 7.662 1.082 1
1 453 . 1 1 1 A 55 55 ARG HA H 55 3.795 3.998 -0.203 1
1 460 . 1 1 1 A 55 55 ARG CA C 55 60.628 58.911 1.717 1
1 461 . 1 1 1 A 55 55 ARG CB C 55 30.224 30.038 0.186 1
1 464 . 1 1 1 A 55 55 ARG N N 55 115.211 117.039 -1.828 1
1 465 . 1 1 1 A 56 56 ASN H H 56 8.056 7.479 0.577 1
1 466 . 1 1 1 A 56 56 ASN HA H 56 4.470 4.416 0.054 1
1 471 . 1 1 1 A 56 56 ASN CA C 56 56.091 56.300 -0.209 1
1 472 . 1 1 1 A 56 56 ASN CB C 56 38.069 39.078 -1.009 1
1 473 . 1 1 1 A 56 56 ASN N N 56 116.543 118.433 -1.890 1
1 475 . 1 1 1 A 57 57 PHE H H 57 7.567 7.993 -0.426 1
1 476 . 1 1 1 A 57 57 PHE HA H 57 4.517 4.245 0.272 1
1 481 . 1 1 1 A 57 57 PHE CA C 57 61.373 61.360 0.013 1
1 482 . 1 1 1 A 57 57 PHE CB C 57 39.518 39.131 0.387 1
1 485 . 1 1 1 A 57 57 PHE N N 57 121.111 120.105 1.006 1
1 486 . 1 1 1 A 58 58 PHE H H 58 8.995 7.814 1.181 1
1 487 . 1 1 1 A 58 58 PHE HA H 58 4.501 4.428 0.073 1
1 491 . 1 1 1 A 58 58 PHE CA C 58 57.190 61.498 -4.308 1
1 492 . 1 1 1 A 58 58 PHE CB C 58 37.236 38.560 -1.324 1
1 494 . 1 1 1 A 58 58 PHE N N 58 119.594 117.870 1.724 1
1 495 . 1 1 1 A 59 59 PHE H H 59 8.510 8.348 0.162 1
1 496 . 1 1 1 A 59 59 PHE HA H 59 4.296 4.149 0.147 1
1 500 . 1 1 1 A 59 59 PHE CA C 59 60.456 61.226 -0.770 1
1 501 . 1 1 1 A 59 59 PHE CB C 59 38.914 38.943 -0.029 1
1 503 . 1 1 1 A 59 59 PHE N N 59 120.834 119.400 1.434 1
1 504 . 1 1 1 A 60 60 GLN H H 60 7.652 8.176 -0.524 1
1 505 . 1 1 1 A 60 60 GLN HA H 60 4.056 4.126 -0.070 1
1 512 . 1 1 1 A 60 60 GLN CA C 60 57.133 58.505 -1.372 1
1 513 . 1 1 1 A 60 60 GLN CB C 60 27.771 28.440 -0.669 1
1 515 . 1 1 1 A 60 60 GLN N N 60 116.464 119.109 -2.645 1
1 517 . 1 1 1 A 61 61 SER H H 61 7.823 7.306 0.517 1
1 518 . 1 1 1 A 61 61 SER HA H 61 3.985 4.375 -0.390 1
1 521 . 1 1 1 A 61 61 SER CA C 61 60.571 58.266 2.305 1
1 522 . 1 1 1 A 61 61 SER CB C 61 65.277 63.475 1.802 1
1 523 . 1 1 1 A 61 61 SER N N 61 113.448 112.009 1.439 1
1 524 . 1 1 1 A 62 62 GLY H H 62 7.478 8.089 -0.611 1
1 525 . 1 1 1 A 62 62 GLY HA2 H 62 4.115 3.793 0.322 1
1 526 . 1 1 1 A 62 62 GLY HA3 H 62 3.699 3.865 -0.166 1
1 527 . 1 1 1 A 62 62 GLY CA C 62 45.445 45.626 -0.181 1
1 528 . 1 1 1 A 62 62 GLY N N 62 108.189 109.459 -1.270 1
1 529 . 1 1 1 A 63 63 LEU H H 63 7.282 7.305 -0.023 1
1 530 . 1 1 1 A 63 63 LEU HA H 63 4.471 4.682 -0.211 1
1 540 . 1 1 1 A 63 63 LEU CA C 63 52.971 51.481 1.490 1
1 541 . 1 1 1 A 63 63 LEU CB C 63 41.597 43.548 -1.951 1
1 545 . 1 1 1 A 63 63 LEU N N 63 120.356 121.177 -0.821 1
1 546 . 1 1 1 A 64 64 PRO HA H 64 4.559 4.531 0.028 1
1 553 . 1 1 1 A 64 64 PRO CA C 64 63.039 62.834 0.205 1
1 554 . 1 1 1 A 64 64 PRO CB C 64 33.402 32.845 0.557 1
1 557 . 1 1 1 A 65 65 GLN H H 65 9.289 9.208 0.081 1
1 558 . 1 1 1 A 65 65 GLN HA H 65 4.194 4.390 -0.196 1
1 563 . 1 1 1 A 65 65 GLN CA C 65 61.180 60.693 0.487 1
1 564 . 1 1 1 A 65 65 GLN CB C 65 25.845 27.141 -1.296 1
1 566 . 1 1 1 A 65 65 GLN N N 65 122.729 123.632 -0.903 1
1 567 . 1 1 1 A 66 66 PRO HA H 66 4.399 4.392 0.007 1
1 574 . 1 1 1 A 66 66 PRO CA C 66 65.956 65.926 0.030 1
1 575 . 1 1 1 A 66 66 PRO CB C 66 30.665 30.943 -0.278 1
1 578 . 1 1 1 A 67 67 VAL H H 67 6.875 7.360 -0.485 1
1 579 . 1 1 1 A 67 67 VAL HA H 67 3.930 3.788 0.142 1
1 587 . 1 1 1 A 67 67 VAL CA C 67 64.811 65.598 -0.787 1
1 588 . 1 1 1 A 67 67 VAL CB C 67 31.581 31.622 -0.041 1
1 591 . 1 1 1 A 67 67 VAL N N 67 117.350 116.411 0.939 1
1 592 . 1 1 1 A 68 68 LEU H H 68 7.965 8.568 -0.603 1
1 593 . 1 1 1 A 68 68 LEU HA H 68 3.955 4.196 -0.241 1
1 603 . 1 1 1 A 68 68 LEU CA C 68 57.878 58.291 -0.413 1
1 604 . 1 1 1 A 68 68 LEU CB C 68 40.821 41.639 -0.818 1
1 608 . 1 1 1 A 68 68 LEU N N 68 119.980 119.963 0.017 1
1 609 . 1 1 1 A 69 69 ALA H H 69 8.577 9.063 -0.486 1
1 610 . 1 1 1 A 69 69 ALA HA H 69 4.375 4.195 0.180 1
1 614 . 1 1 1 A 69 69 ALA CA C 69 55.128 55.265 -0.137 1
1 615 . 1 1 1 A 69 69 ALA CB C 69 17.533 18.279 -0.746 1
1 616 . 1 1 1 A 69 69 ALA N N 69 122.731 121.645 1.086 1
1 617 . 1 1 1 A 70 70 GLN H H 70 7.534 7.849 -0.315 1
1 618 . 1 1 1 A 70 70 GLN HA H 70 4.190 4.170 0.020 1
1 625 . 1 1 1 A 70 70 GLN CA C 70 58.623 59.085 -0.462 1
1 626 . 1 1 1 A 70 70 GLN CB C 70 28.349 28.266 0.083 1
1 628 . 1 1 1 A 70 70 GLN N N 70 120.846 117.772 3.074 1
1 630 . 1 1 1 A 71 71 ILE H H 71 8.170 8.180 -0.010 1
1 631 . 1 1 1 A 71 71 ILE HA H 71 3.455 3.761 -0.306 1
1 641 . 1 1 1 A 71 71 ILE CA C 71 66.530 65.448 1.082 1
1 642 . 1 1 1 A 71 71 ILE CB C 71 37.768 37.731 0.037 1
1 646 . 1 1 1 A 71 71 ILE N N 71 120.351 119.679 0.672 1
1 647 . 1 1 1 A 72 72 TRP H H 72 8.473 8.278 0.195 1
1 648 . 1 1 1 A 72 72 TRP HA H 72 3.845 4.447 -0.602 1
1 657 . 1 1 1 A 72 72 TRP CA C 72 61.144 61.132 0.012 1
1 658 . 1 1 1 A 72 72 TRP CB C 72 28.496 29.463 -0.967 1
1 664 . 1 1 1 A 72 72 TRP N N 72 119.417 122.270 -2.853 1
1 666 . 1 1 1 A 73 73 ALA H H 73 7.647 7.920 -0.273 1
1 667 . 1 1 1 A 73 73 ALA HA H 73 4.012 3.971 0.041 1
1 671 . 1 1 1 A 73 73 ALA CA C 73 54.154 54.218 -0.064 1
1 672 . 1 1 1 A 73 73 ALA CB C 73 18.059 18.424 -0.365 1
1 673 . 1 1 1 A 73 73 ALA N N 73 116.148 121.524 -5.376 1
1 674 . 1 1 1 A 74 74 LEU H H 74 7.493 7.437 0.056 1
1 675 . 1 1 1 A 74 74 LEU HA H 74 3.947 4.283 -0.336 1
1 685 . 1 1 1 A 74 74 LEU CA C 74 56.478 56.253 0.225 1
1 686 . 1 1 1 A 74 74 LEU CB C 74 43.726 42.467 1.259 1
1 690 . 1 1 1 A 74 74 LEU N N 74 115.647 116.237 -0.590 1
1 691 . 1 1 1 A 75 75 ALA H H 75 7.952 7.812 0.140 1
1 692 . 1 1 1 A 75 75 ALA HA H 75 4.019 4.184 -0.165 1
1 696 . 1 1 1 A 75 75 ALA CA C 75 53.982 55.444 -1.462 1
1 697 . 1 1 1 A 75 75 ALA CB C 75 19.913 19.309 0.604 1
1 698 . 1 1 1 A 75 75 ALA N N 75 118.000 120.637 -2.637 1
1 699 . 1 1 1 A 76 76 ASP H H 76 7.798 8.282 -0.484 1
1 700 . 1 1 1 A 76 76 ASP HA H 76 4.587 4.744 -0.157 1
1 703 . 1 1 1 A 76 76 ASP CA C 76 51.849 53.309 -1.460 1
1 704 . 1 1 1 A 76 76 ASP CB C 76 36.265 40.168 -3.903 1
1 705 . 1 1 1 A 76 76 ASP N N 76 114.297 115.137 -0.840 1
1 706 . 1 1 1 A 77 77 MET H H 77 8.077 8.133 -0.056 1
1 707 . 1 1 1 A 77 77 MET HA H 77 3.867 4.013 -0.146 1
1 715 . 1 1 1 A 77 77 MET CA C 77 59.024 58.506 0.518 1
1 716 . 1 1 1 A 77 77 MET CB C 77 34.550 32.070 2.480 1
1 719 . 1 1 1 A 77 77 MET N N 77 123.959 124.712 -0.753 1
1 720 . 1 1 1 A 78 78 ASN H H 78 7.801 7.780 0.021 1
1 721 . 1 1 1 A 78 78 ASN HA H 78 4.839 4.719 0.120 1
1 726 . 1 1 1 A 78 78 ASN CA C 78 50.889 54.158 -3.269 1
1 727 . 1 1 1 A 78 78 ASN CB C 78 37.028 39.032 -2.004 1
1 728 . 1 1 1 A 78 78 ASN N N 78 112.247 117.877 -5.630 1
1 730 . 1 1 1 A 79 79 ASN H H 79 8.019 8.497 -0.478 1
1 731 . 1 1 1 A 79 79 ASN HA H 79 4.380 5.103 -0.723 1
1 736 . 1 1 1 A 79 79 ASN CA C 79 54.319 53.841 0.478 1
1 737 . 1 1 1 A 79 79 ASN CB C 79 37.867 36.689 1.178 1
1 738 . 1 1 1 A 79 79 ASN N N 79 116.050 117.073 -1.023 1
1 740 . 1 1 1 A 80 80 ASP H H 80 8.019 8.061 -0.042 1
1 741 . 1 1 1 A 80 80 ASP HA H 80 4.784 4.642 0.142 1
1 744 . 1 1 1 A 80 80 ASP CA C 80 52.672 54.050 -1.378 1
1 745 . 1 1 1 A 80 80 ASP CB C 80 41.585 41.506 0.079 1
1 746 . 1 1 1 A 80 80 ASP N N 80 115.620 123.165 -7.545 1
1 747 . 1 1 1 A 81 81 GLY H H 81 10.345 7.523 2.822 1
1 748 . 1 1 1 A 81 81 GLY HA2 H 81 4.339 4.089 0.250 1
1 749 . 1 1 1 A 81 81 GLY HA3 H 81 4.044 4.250 -0.206 1
1 750 . 1 1 1 A 81 81 GLY CA C 81 46.560 45.870 0.690 1
1 751 . 1 1 1 A 81 81 GLY N N 81 112.191 107.124 5.067 1
1 752 . 1 1 1 A 82 82 ARG H H 82 8.365 8.237 0.128 1
1 753 . 1 1 1 A 82 82 ARG HA H 82 5.105 4.579 0.526 1
1 760 . 1 1 1 A 82 82 ARG CA C 82 53.982 56.878 -2.896 1
1 761 . 1 1 1 A 82 82 ARG CB C 82 33.303 31.657 1.646 1
1 764 . 1 1 1 A 82 82 ARG N N 82 117.518 118.967 -1.449 1
1 765 . 1 1 1 A 83 83 MET H H 83 9.038 8.202 0.836 1
1 766 . 1 1 1 A 83 83 MET HA H 83 6.142 4.297 1.845 1
1 774 . 1 1 1 A 83 83 MET CA C 83 55.586 56.352 -0.766 1
1 775 . 1 1 1 A 83 83 MET CB C 83 38.610 31.313 7.297 1
1 778 . 1 1 1 A 83 83 MET N N 83 120.510 118.943 1.567 1
1 779 . 1 1 1 A 84 84 ASP H H 84 7.586 8.281 -0.695 1
1 780 . 1 1 1 A 84 84 ASP HA H 84 5.259 4.737 0.522 1
1 783 . 1 1 1 A 84 84 ASP CA C 84 51.182 53.770 -2.588 1
1 784 . 1 1 1 A 84 84 ASP CB C 84 42.047 41.586 0.461 1
1 785 . 1 1 1 A 84 84 ASP N N 84 122.321 126.718 -4.397 1
1 786 . 1 1 1 A 85 85 GLN H H 85 7.988 8.691 -0.703 1
1 787 . 1 1 1 A 85 85 GLN HA H 85 2.609 3.875 -1.266 1
1 794 . 1 1 1 A 85 85 GLN CA C 85 58.909 58.226 0.683 1
1 795 . 1 1 1 A 85 85 GLN CB C 85 29.346 27.908 1.438 1
1 797 . 1 1 1 A 85 85 GLN N N 85 115.617 123.635 -8.018 1
1 799 . 1 1 1 A 86 86 VAL H H 86 7.357 7.892 -0.535 1
1 800 . 1 1 1 A 86 86 VAL HA H 86 3.557 3.464 0.093 1
1 808 . 1 1 1 A 86 86 VAL CA C 86 66.117 66.647 -0.530 1
1 809 . 1 1 1 A 86 86 VAL CB C 86 31.538 31.787 -0.249 1
1 812 . 1 1 1 A 86 86 VAL N N 86 120.551 120.981 -0.430 1
1 813 . 1 1 1 A 87 87 GLU H H 87 8.375 8.311 0.064 1
1 814 . 1 1 1 A 87 87 GLU HA H 87 3.908 4.065 -0.157 1
1 819 . 1 1 1 A 87 87 GLU CA C 87 59.424 59.654 -0.230 1
1 820 . 1 1 1 A 87 87 GLU CB C 87 31.466 29.588 1.878 1
1 822 . 1 1 1 A 87 87 GLU N N 87 119.417 119.310 0.107 1
1 823 . 1 1 1 A 88 88 PHE H H 88 8.482 8.738 -0.256 1
1 824 . 1 1 1 A 88 88 PHE HA H 88 4.427 4.302 0.125 1
1 828 . 1 1 1 A 88 88 PHE CA C 88 62.061 61.641 0.420 1
1 829 . 1 1 1 A 88 88 PHE CB C 88 40.726 39.255 1.471 1
1 831 . 1 1 1 A 88 88 PHE N N 88 117.094 122.439 -5.345 1
1 832 . 1 1 1 A 89 89 SER H H 89 7.490 7.847 -0.357 1
1 833 . 1 1 1 A 89 89 SER HA H 89 4.763 4.190 0.573 1
1 836 . 1 1 1 A 89 89 SER CA C 89 59.783 61.046 -1.263 1
1 837 . 1 1 1 A 89 89 SER CB C 89 59.544 63.301 -3.757 1
1 838 . 1 1 1 A 89 89 SER N N 89 113.424 113.329 0.095 1
1 839 . 1 1 1 A 90 90 ILE H H 90 8.034 7.642 0.392 1
1 840 . 1 1 1 A 90 90 ILE HA H 90 3.506 4.120 -0.614 1
1 850 . 1 1 1 A 90 90 ILE CA C 90 66.098 63.122 2.976 1
1 851 . 1 1 1 A 90 90 ILE CB C 90 37.905 38.973 -1.068 1
1 855 . 1 1 1 A 90 90 ILE N N 90 118.472 121.369 -2.897 1
1 856 . 1 1 1 A 91 91 ALA H H 91 8.197 7.982 0.215 1
1 857 . 1 1 1 A 91 91 ALA HA H 91 4.286 4.007 0.279 1
1 861 . 1 1 1 A 91 91 ALA CA C 91 52.435 55.225 -2.790 1
1 862 . 1 1 1 A 91 91 ALA CB C 91 19.091 18.094 0.997 1
1 863 . 1 1 1 A 91 91 ALA N N 91 119.275 124.096 -4.821 1
1 864 . 1 1 1 A 92 92 MET H H 92 8.183 8.162 0.021 1
1 865 . 1 1 1 A 92 92 MET HA H 92 4.268 3.862 0.406 1
1 870 . 1 1 1 A 92 92 MET CA C 92 55.643 57.608 -1.965 1
1 871 . 1 1 1 A 92 92 MET CB C 92 29.521 32.047 -2.526 1
1 873 . 1 1 1 A 92 92 MET N N 92 118.681 115.630 3.051 1
1 874 . 1 1 1 A 93 93 LYS H H 93 8.172 7.717 0.455 1
1 875 . 1 1 1 A 93 93 LYS HA H 93 4.006 4.043 -0.037 1
1 878 . 1 1 1 A 93 93 LYS CA C 93 56.840 58.889 -2.049 1
1 879 . 1 1 1 A 93 93 LYS CB C 93 32.830 31.479 1.351 1
1 880 . 1 1 1 A 93 93 LYS N N 93 120.362 120.099 0.263 1
1 881 . 1 1 1 A 94 94 LEU H H 94 8.017 7.751 0.266 1
1 882 . 1 1 1 A 94 94 LEU HA H 94 3.884 3.935 -0.051 1
1 892 . 1 1 1 A 94 94 LEU CA C 94 58.234 58.020 0.214 1
1 893 . 1 1 1 A 94 94 LEU CB C 94 42.050 41.647 0.403 1
1 897 . 1 1 1 A 94 94 LEU N N 94 114.192 119.963 -5.771 1
1 898 . 1 1 1 A 95 95 ILE H H 95 8.377 8.179 0.198 1
1 899 . 1 1 1 A 95 95 ILE HA H 95 3.254 3.420 -0.166 1
1 909 . 1 1 1 A 95 95 ILE CA C 95 66.013 65.904 0.109 1
1 910 . 1 1 1 A 95 95 ILE CB C 95 38.284 37.827 0.457 1
1 914 . 1 1 1 A 95 95 ILE N N 95 118.949 119.967 -1.018 1
1 915 . 1 1 1 A 96 96 LYS H H 96 7.751 7.522 0.229 1
1 916 . 1 1 1 A 96 96 LYS HA H 96 3.928 3.998 -0.070 1
1 925 . 1 1 1 A 96 96 LYS CA C 96 59.701 59.697 0.004 1
1 926 . 1 1 1 A 96 96 LYS CB C 96 32.286 31.873 0.413 1
1 930 . 1 1 1 A 96 96 LYS N N 96 119.637 121.021 -1.384 1
1 931 . 1 1 1 A 97 97 LEU H H 97 8.382 8.230 0.152 1
1 932 . 1 1 1 A 97 97 LEU HA H 97 4.006 3.975 0.031 1
1 942 . 1 1 1 A 97 97 LEU CA C 97 57.363 57.725 -0.362 1
1 943 . 1 1 1 A 97 97 LEU CB C 97 40.459 41.503 -1.044 1
1 947 . 1 1 1 A 97 97 LEU N N 97 117.727 120.819 -3.092 1
1 948 . 1 1 1 A 98 98 LYS H H 98 8.761 8.535 0.226 1
1 949 . 1 1 1 A 98 98 LYS HA H 98 4.548 4.170 0.378 1
1 958 . 1 1 1 A 98 98 LYS CA C 98 57.477 59.270 -1.793 1
1 959 . 1 1 1 A 98 98 LYS CB C 98 31.294 31.899 -0.605 1
1 963 . 1 1 1 A 98 98 LYS N N 98 122.255 119.019 3.236 1
1 964 . 1 1 1 A 99 99 LEU H H 99 8.798 7.887 0.911 1
1 965 . 1 1 1 A 99 99 LEU HA H 99 4.100 4.169 -0.069 1
1 975 . 1 1 1 A 99 99 LEU CA C 99 57.878 55.803 2.075 1
1 976 . 1 1 1 A 99 99 LEU CB C 99 41.605 41.859 -0.254 1
1 980 . 1 1 1 A 99 99 LEU N N 99 122.214 118.940 3.274 1
1 981 . 1 1 1 A 100 100 GLN H H 100 7.749 7.586 0.163 1
1 982 . 1 1 1 A 100 100 GLN HA H 100 4.285 4.407 -0.122 1
1 989 . 1 1 1 A 100 100 GLN CA C 100 56.503 55.528 0.975 1
1 990 . 1 1 1 A 100 100 GLN CB C 100 29.576 29.437 0.139 1
1 992 . 1 1 1 A 100 100 GLN N N 100 116.914 117.004 -0.090 1
1 993 . 1 1 1 A 101 101 GLY H H 101 7.910 8.718 -0.808 1
1 994 . 1 1 1 A 101 101 GLY HA2 H 101 4.262 3.889 0.373 1
1 995 . 1 1 1 A 101 101 GLY HA3 H 101 3.661 3.933 -0.272 1
1 996 . 1 1 1 A 101 101 GLY CA C 101 44.884 46.448 -1.564 1
1 997 . 1 1 1 A 101 101 GLY N N 101 106.044 107.950 -1.906 1
1 998 . 1 1 1 A 102 102 TYR H H 102 8.078 7.647 0.431 1
1 999 . 1 1 1 A 102 102 TYR HA H 102 4.311 5.203 -0.892 1
1 1006 . 1 1 1 A 102 102 TYR CA C 102 59.253 56.583 2.670 1
1 1007 . 1 1 1 A 102 102 TYR CB C 102 37.849 43.507 -5.658 1
1 1010 . 1 1 1 A 102 102 TYR N N 102 120.876 118.693 2.183 1
1 1011 . 1 1 1 A 103 103 GLN H H 103 8.610 9.243 -0.633 1
1 1012 . 1 1 1 A 103 103 GLN HA H 103 4.280 5.247 -0.967 1
1 1015 . 1 1 1 A 103 103 GLN CA C 103 56.620 54.775 1.845 1
1 1016 . 1 1 1 A 103 103 GLN CB C 103 29.100 33.032 -3.932 1
1 1017 . 1 1 1 A 103 103 GLN N N 103 119.785 118.794 0.991 1
1 1018 . 1 1 1 A 105 105 PRO HA H 105 4.631 4.712 -0.081 1
1 1025 . 1 1 1 A 105 105 PRO CA C 105 61.602 62.357 -0.755 1
1 1026 . 1 1 1 A 105 105 PRO CB C 105 31.690 33.232 -1.542 1
1 1029 . 1 1 1 A 106 106 SER H H 106 8.485 8.315 0.170 1
1 1030 . 1 1 1 A 106 106 SER HA H 106 4.183 4.392 -0.209 1
1 1033 . 1 1 1 A 106 106 SER CA C 106 59.525 58.486 1.039 1
1 1034 . 1 1 1 A 106 106 SER CB C 106 63.078 63.557 -0.479 1
1 1035 . 1 1 1 A 106 106 SER N N 106 112.361 112.464 -0.103 1
1 1036 . 1 1 1 A 107 107 ALA H H 107 7.410 7.543 -0.133 1
1 1037 . 1 1 1 A 107 107 ALA HA H 107 4.308 4.816 -0.508 1
1 1041 . 1 1 1 A 107 107 ALA CA C 107 50.086 50.434 -0.348 1
1 1042 . 1 1 1 A 107 107 ALA CB C 107 21.253 21.747 -0.494 1
1 1043 . 1 1 1 A 107 107 ALA N N 107 121.311 123.646 -2.335 1
1 1044 . 1 1 1 A 108 108 LEU H H 108 8.915 8.879 0.036 1
1 1045 . 1 1 1 A 108 108 LEU HA H 108 4.020 4.650 -0.630 1
1 1055 . 1 1 1 A 108 108 LEU CA C 108 52.990 53.368 -0.378 1
1 1056 . 1 1 1 A 108 108 LEU CB C 108 42.041 41.232 0.809 1
1 1060 . 1 1 1 A 108 108 LEU N N 108 122.607 124.213 -1.606 1
1 1061 . 1 1 1 A 110 110 PRO HA H 110 4.024 4.220 -0.196 1
1 1068 . 1 1 1 A 110 110 PRO CA C 110 65.440 65.163 0.277 1
1 1069 . 1 1 1 A 110 110 PRO CB C 110 31.638 31.891 -0.253 1
1 1072 . 1 1 1 A 111 111 VAL H H 111 8.118 7.244 0.874 1
1 1073 . 1 1 1 A 111 111 VAL HA H 111 3.986 3.846 0.140 1
1 1081 . 1 1 1 A 111 111 VAL CA C 111 63.779 65.306 -1.527 1
1 1082 . 1 1 1 A 111 111 VAL CB C 111 31.065 31.409 -0.344 1
1 1085 . 1 1 1 A 111 111 VAL N N 111 115.605 116.293 -0.688 1
1 1086 . 1 1 1 A 112 112 MET H H 112 7.908 7.893 0.015 1
1 1087 . 1 1 1 A 112 112 MET HA H 112 4.160 4.311 -0.151 1
1 1095 . 1 1 1 A 112 112 MET CA C 112 59.098 57.987 1.111 1
1 1096 . 1 1 1 A 112 112 MET CB C 112 34.024 32.576 1.448 1
1 1099 . 1 1 1 A 112 112 MET N N 112 118.943 120.415 -1.472 1
1 1100 . 1 1 1 A 113 113 LYS H H 113 7.330 7.394 -0.064 1
1 1101 . 1 1 1 A 113 113 LYS HA H 113 4.182 4.180 0.002 1
1 1110 . 1 1 1 A 113 113 LYS CA C 113 55.987 59.022 -3.035 1
1 1111 . 1 1 1 A 113 113 LYS CB C 113 32.841 32.856 -0.015 1
1 1115 . 1 1 1 A 113 113 LYS N N 113 112.617 118.949 -6.332 1
1 1116 . 1 1 1 A 114 114 GLN H H 114 7.114 7.968 -0.854 1
1 1117 . 1 1 1 A 114 114 GLN HA H 114 4.309 3.907 0.402 1
1 1124 . 1 1 1 A 114 114 GLN CA C 114 54.956 58.378 -3.422 1
1 1125 . 1 1 1 A 114 114 GLN CB C 114 29.241 26.527 2.714 1
1 1127 . 1 1 1 A 114 114 GLN N N 114 117.852 115.575 2.277 1
1 1129 . 1 1 1 A 115 115 GLN H H 115 8.556 8.100 0.456 1
1 1130 . 1 1 1 A 115 115 GLN HA H 115 4.501 4.703 -0.202 1
1 1137 . 1 1 1 A 115 115 GLN CA C 115 53.858 52.417 1.441 1
1 1138 . 1 1 1 A 115 115 GLN CB C 115 28.234 29.328 -1.094 1
1 1140 . 1 1 1 A 115 115 GLN N N 115 123.195 120.662 2.533 1
1 1142 . 1 1 1 A 116 116 PRO HA H 116 4.530 4.578 -0.048 1
1 1149 . 1 1 1 A 116 116 PRO CA C 116 63.050 62.466 0.584 1
1 1150 . 1 1 1 A 116 116 PRO CB C 116 31.953 32.534 -0.581 1
1 1153 . 1 1 1 A 117 117 VAL H H 117 8.345 8.170 0.175 1
1 1154 . 1 1 1 A 117 117 VAL HA H 117 4.167 4.427 -0.260 1
1 1162 . 1 1 1 A 117 117 VAL CA C 117 61.258 59.970 1.288 1
1 1163 . 1 1 1 A 117 117 VAL CB C 117 33.724 33.393 0.331 1
1 1166 . 1 1 1 A 117 117 VAL N N 117 120.361 116.861 3.500 1
1 1167 . 1 1 1 A 118 118 ALA H H 118 8.470 8.570 -0.100 1
1 1168 . 1 1 1 A 118 118 ALA HA H 118 4.452 4.511 -0.059 1
1 1172 . 1 1 1 A 118 118 ALA CA C 118 51.678 52.078 -0.400 1
1 1173 . 1 1 1 A 118 118 ALA CB C 118 19.260 19.185 0.075 1
1 1174 . 1 1 1 A 118 118 ALA N N 118 128.412 122.341 6.071 1
1 1175 . 1 1 1 A 119 119 ILE H H 119 8.250 7.599 0.651 1
1 1176 . 1 1 1 A 119 119 ILE HA H 119 4.240 4.378 -0.138 1
1 1186 . 1 1 1 A 119 119 ILE CA C 119 60.743 61.175 -0.432 1
1 1187 . 1 1 1 A 119 119 ILE CB C 119 38.914 36.267 2.647 1
1 1191 . 1 1 1 A 119 119 ILE N N 119 120.929 120.237 0.692 1
1 1192 . 1 1 1 A 120 120 SER H H 120 8.413 8.776 -0.363 1
1 1193 . 1 1 1 A 120 120 SER HA H 120 4.543 4.726 -0.183 1
1 1196 . 1 1 1 A 120 120 SER CA C 120 57.878 59.325 -1.447 1
1 1197 . 1 1 1 A 120 120 SER CB C 120 63.951 65.769 -1.818 1
1 1198 . 1 1 1 A 120 120 SER N N 120 120.494 122.097 -1.603 1
1 1 . 2 1 1 A 12 12 ALA H H 12 8.223 8.514 -0.291 1
1 2 . 2 1 1 A 12 12 ALA HA H 12 4.220 4.826 -0.606 1
1 6 . 2 1 1 A 12 12 ALA CA C 12 52.323 51.570 0.753 1
1 7 . 2 1 1 A 12 12 ALA CB C 12 19.015 20.215 -1.200 1
1 8 . 2 1 1 A 12 12 ALA N N 12 124.624 123.155 1.469 1
1 9 . 2 1 1 A 13 13 GLN H H 13 8.220 7.623 0.597 1
1 10 . 2 1 1 A 13 13 GLN HA H 13 4.292 4.423 -0.131 1
1 13 . 2 1 1 A 13 13 GLN CA C 13 55.457 54.670 0.787 1
1 14 . 2 1 1 A 13 13 GLN CB C 13 29.804 28.539 1.265 1
1 15 . 2 1 1 A 13 13 GLN N N 13 119.119 117.826 1.293 1
1 16 . 2 1 1 A 14 14 PHE H H 14 8.109 8.542 -0.433 1
1 17 . 2 1 1 A 14 14 PHE HA H 14 4.559 4.945 -0.386 1
1 20 . 2 1 1 A 14 14 PHE CA C 14 58.250 56.039 2.211 1
1 21 . 2 1 1 A 14 14 PHE CB C 14 39.950 39.476 0.474 1
1 22 . 2 1 1 A 14 14 PHE N N 14 121.712 122.335 -0.623 1
1 23 . 2 1 1 A 15 15 PRO HA H 15 4.492 4.616 -0.124 1
1 30 . 2 1 1 A 15 15 PRO CA C 15 63.047 63.077 -0.030 1
1 31 . 2 1 1 A 15 15 PRO CB C 15 31.810 32.892 -1.082 1
1 34 . 2 1 1 A 16 16 THR H H 16 8.197 8.490 -0.293 1
1 35 . 2 1 1 A 16 16 THR HA H 16 4.614 4.560 0.054 1
1 40 . 2 1 1 A 16 16 THR CA C 16 59.526 59.854 -0.328 1
1 41 . 2 1 1 A 16 16 THR CB C 16 69.603 69.616 -0.013 1
1 43 . 2 1 1 A 16 16 THR N N 16 115.700 117.299 -1.599 1
1 44 . 2 1 1 A 17 17 PRO HA H 17 4.360 4.527 -0.167 1
1 51 . 2 1 1 A 17 17 PRO CA C 17 63.321 63.183 0.138 1
1 52 . 2 1 1 A 17 17 PRO CB C 17 31.680 32.519 -0.839 1
1 55 . 2 1 1 A 18 18 PHE H H 18 8.212 8.384 -0.172 1
1 56 . 2 1 1 A 18 18 PHE HA H 18 4.589 5.503 -0.914 1
1 64 . 2 1 1 A 18 18 PHE CA C 18 57.648 55.130 2.518 1
1 65 . 2 1 1 A 18 18 PHE CB C 18 39.165 41.134 -1.969 1
1 69 . 2 1 1 A 18 18 PHE N N 18 119.185 118.303 0.882 1
1 70 . 2 1 1 A 19 19 GLY H H 19 8.250 8.653 -0.403 1
1 71 . 2 1 1 A 19 19 GLY HA2 H 19 3.943 3.898 0.045 1
1 72 . 2 1 1 A 19 19 GLY HA3 H 19 3.935 3.955 -0.020 1
1 73 . 2 1 1 A 19 19 GLY CA C 19 45.100 45.097 0.003 1
1 74 . 2 1 1 A 19 19 GLY N N 19 110.566 109.150 1.416 1
1 75 . 2 1 1 A 20 20 GLY H H 20 7.873 8.551 -0.678 1
1 76 . 2 1 1 A 20 20 GLY HA2 H 20 3.964 4.058 -0.094 1
1 77 . 2 1 1 A 20 20 GLY HA3 H 20 3.955 4.081 -0.126 1
1 78 . 2 1 1 A 20 20 GLY CA C 20 45.056 45.641 -0.585 1
1 79 . 2 1 1 A 20 20 GLY N N 20 108.171 112.446 -4.275 1
1 80 . 2 1 1 A 21 21 SER H H 21 8.274 7.784 0.490 1
1 81 . 2 1 1 A 21 21 SER HA H 21 4.523 4.607 -0.084 1
1 84 . 2 1 1 A 21 21 SER CA C 21 57.951 59.194 -1.243 1
1 85 . 2 1 1 A 21 21 SER CB C 21 63.946 64.392 -0.446 1
1 86 . 2 1 1 A 21 21 SER N N 21 115.180 117.103 -1.923 1
1 87 . 2 1 1 A 22 22 LEU H H 22 8.435 8.688 -0.253 1
1 88 . 2 1 1 A 22 22 LEU HA H 22 4.302 4.335 -0.033 1
1 98 . 2 1 1 A 22 22 LEU CA C 22 55.846 55.202 0.644 1
1 99 . 2 1 1 A 22 22 LEU CB C 22 42.229 41.625 0.604 1
1 103 . 2 1 1 A 22 22 LEU N N 22 123.998 126.495 -2.497 1
1 104 . 2 1 1 A 23 23 ASP H H 23 8.291 8.580 -0.289 1
1 105 . 2 1 1 A 23 23 ASP HA H 23 4.494 4.794 -0.300 1
1 108 . 2 1 1 A 23 23 ASP CA C 23 54.981 53.685 1.296 1
1 109 . 2 1 1 A 23 23 ASP CB C 23 41.190 40.076 1.114 1
1 110 . 2 1 1 A 23 23 ASP N N 23 120.385 123.311 -2.926 1
1 111 . 2 1 1 A 24 24 THR H H 24 8.010 7.816 0.194 1
1 112 . 2 1 1 A 24 24 THR HA H 24 3.770 3.835 -0.065 1
1 117 . 2 1 1 A 24 24 THR CA C 24 64.590 66.411 -1.821 1
1 118 . 2 1 1 A 24 24 THR CB C 24 69.620 68.357 1.263 1
1 120 . 2 1 1 A 24 24 THR N N 24 117.799 115.717 2.082 1
1 121 . 2 1 1 A 25 25 TRP H H 25 7.780 7.919 -0.139 1
1 122 . 2 1 1 A 25 25 TRP HA H 25 4.012 4.908 -0.896 1
1 131 . 2 1 1 A 25 25 TRP CA C 25 57.837 56.624 1.213 1
1 132 . 2 1 1 A 25 25 TRP CB C 25 28.842 30.239 -1.397 1
1 138 . 2 1 1 A 25 25 TRP N N 25 118.659 117.512 1.147 1
1 140 . 2 1 1 A 26 26 ALA H H 26 7.101 7.505 -0.404 1
1 141 . 2 1 1 A 26 26 ALA HA H 26 3.949 4.832 -0.883 1
1 145 . 2 1 1 A 26 26 ALA CA C 26 52.102 50.606 1.496 1
1 146 . 2 1 1 A 26 26 ALA CB C 26 18.840 22.400 -3.560 1
1 147 . 2 1 1 A 26 26 ALA N N 26 117.054 122.222 -5.168 1
1 148 . 2 1 1 A 27 27 ILE H H 27 8.687 8.465 0.222 1
1 149 . 2 1 1 A 27 27 ILE HA H 27 4.332 4.877 -0.545 1
1 159 . 2 1 1 A 27 27 ILE CA C 27 61.430 60.502 0.928 1
1 160 . 2 1 1 A 27 27 ILE CB C 27 38.550 39.824 -1.274 1
1 164 . 2 1 1 A 27 27 ILE N N 27 125.107 119.123 5.984 1
1 165 . 2 1 1 A 28 28 THR H H 28 8.981 8.449 0.532 1
1 166 . 2 1 1 A 28 28 THR HA H 28 4.760 4.982 -0.222 1
1 171 . 2 1 1 A 28 28 THR CA C 28 60.685 59.396 1.289 1
1 172 . 2 1 1 A 28 28 THR CB C 28 71.252 71.489 -0.237 1
1 174 . 2 1 1 A 28 28 THR N N 28 118.938 117.245 1.693 1
1 175 . 2 1 1 A 29 29 VAL H H 29 8.612 8.934 -0.322 1
1 176 . 2 1 1 A 29 29 VAL HA H 29 3.532 3.708 -0.176 1
1 184 . 2 1 1 A 29 29 VAL CA C 29 66.349 66.146 0.203 1
1 185 . 2 1 1 A 29 29 VAL CB C 29 31.799 31.464 0.335 1
1 188 . 2 1 1 A 29 29 VAL N N 29 119.411 121.547 -2.136 1
1 189 . 2 1 1 A 30 30 GLU H H 30 8.432 8.271 0.161 1
1 190 . 2 1 1 A 30 30 GLU HA H 30 4.011 4.010 0.001 1
1 195 . 2 1 1 A 30 30 GLU CA C 30 59.597 59.126 0.471 1
1 196 . 2 1 1 A 30 30 GLU CB C 30 28.912 29.135 -0.223 1
1 198 . 2 1 1 A 30 30 GLU N N 30 119.890 119.608 0.282 1
1 199 . 2 1 1 A 31 31 GLU H H 31 7.737 8.097 -0.360 1
1 200 . 2 1 1 A 31 31 GLU HA H 31 3.604 4.158 -0.554 1
1 205 . 2 1 1 A 31 31 GLU CA C 31 58.718 59.060 -0.342 1
1 206 . 2 1 1 A 31 31 GLU CB C 31 30.666 29.592 1.074 1
1 208 . 2 1 1 A 31 31 GLU N N 31 120.821 120.761 0.060 1
1 209 . 2 1 1 A 32 32 ARG H H 32 8.382 8.610 -0.228 1
1 210 . 2 1 1 A 32 32 ARG HA H 32 3.998 4.071 -0.073 1
1 213 . 2 1 1 A 32 32 ARG CA C 32 57.356 58.822 -1.466 1
1 214 . 2 1 1 A 32 32 ARG CB C 32 28.870 29.972 -1.102 1
1 215 . 2 1 1 A 32 32 ARG N N 32 117.523 118.891 -1.368 1
1 216 . 2 1 1 A 33 33 ALA H H 33 7.919 7.888 0.031 1
1 217 . 2 1 1 A 33 33 ALA HA H 33 4.248 3.936 0.312 1
1 221 . 2 1 1 A 33 33 ALA CA C 33 55.007 54.486 0.521 1
1 222 . 2 1 1 A 33 33 ALA CB C 33 17.601 18.428 -0.827 1
1 223 . 2 1 1 A 33 33 ALA N N 33 119.982 121.603 -1.621 1
1 224 . 2 1 1 A 34 34 LYS H H 34 7.212 7.697 -0.485 1
1 225 . 2 1 1 A 34 34 LYS HA H 34 4.194 4.166 0.028 1
1 234 . 2 1 1 A 34 34 LYS CA C 34 58.852 59.593 -0.741 1
1 235 . 2 1 1 A 34 34 LYS CB C 34 31.598 32.157 -0.559 1
1 239 . 2 1 1 A 34 34 LYS N N 34 119.567 119.494 0.073 1
1 240 . 2 1 1 A 35 35 HIS H H 35 8.814 7.791 1.023 1
1 241 . 2 1 1 A 35 35 HIS HA H 35 4.923 4.804 0.119 1
1 244 . 2 1 1 A 35 35 HIS CA C 35 57.821 58.733 -0.912 1
1 245 . 2 1 1 A 35 35 HIS CB C 35 29.950 29.278 0.672 1
1 246 . 2 1 1 A 35 35 HIS N N 35 122.252 117.813 4.439 1
1 247 . 2 1 1 A 36 36 ASP H H 36 9.292 7.999 1.293 1
1 248 . 2 1 1 A 36 36 ASP HA H 36 4.454 4.256 0.198 1
1 251 . 2 1 1 A 36 36 ASP CA C 36 57.305 57.284 0.021 1
1 252 . 2 1 1 A 36 36 ASP CB C 36 39.889 39.817 0.072 1
1 253 . 2 1 1 A 36 36 ASP N N 36 118.831 122.199 -3.368 1
1 254 . 2 1 1 A 37 37 GLN H H 37 7.673 7.908 -0.235 1
1 255 . 2 1 1 A 37 37 GLN HA H 37 4.241 4.069 0.172 1
1 262 . 2 1 1 A 37 37 GLN CA C 37 59.019 59.040 -0.021 1
1 263 . 2 1 1 A 37 37 GLN CB C 37 28.315 28.432 -0.117 1
1 265 . 2 1 1 A 37 37 GLN N N 37 120.072 118.497 1.575 1
1 266 . 2 1 1 A 38 38 GLN H H 38 8.329 8.055 0.274 1
1 267 . 2 1 1 A 38 38 GLN HA H 38 4.040 4.111 -0.071 1
1 274 . 2 1 1 A 38 38 GLN CA C 38 58.734 58.516 0.218 1
1 275 . 2 1 1 A 38 38 GLN CB C 38 28.549 28.744 -0.195 1
1 277 . 2 1 1 A 38 38 GLN N N 38 120.847 118.101 2.746 1
1 279 . 2 1 1 A 39 39 PHE H H 39 9.453 8.840 0.613 1
1 280 . 2 1 1 A 39 39 PHE HA H 39 2.811 4.367 -1.556 1
1 286 . 2 1 1 A 39 39 PHE CA C 39 61.602 61.413 0.189 1
1 287 . 2 1 1 A 39 39 PHE CB C 39 38.799 39.051 -0.252 1
1 291 . 2 1 1 A 39 39 PHE N N 39 123.507 123.161 0.346 1
1 292 . 2 1 1 A 40 40 HIS H H 40 8.096 8.158 -0.062 1
1 293 . 2 1 1 A 40 40 HIS HA H 40 3.884 4.305 -0.421 1
1 297 . 2 1 1 A 40 40 HIS CA C 40 59.910 60.121 -0.211 1
1 298 . 2 1 1 A 40 40 HIS CB C 40 29.558 29.567 -0.009 1
1 300 . 2 1 1 A 40 40 HIS N N 40 114.319 119.108 -4.789 1
1 301 . 2 1 1 A 41 41 SER H H 41 7.818 8.016 -0.198 1
1 302 . 2 1 1 A 41 41 SER HA H 41 4.300 4.370 -0.070 1
1 305 . 2 1 1 A 41 41 SER CA C 41 60.851 61.699 -0.848 1
1 306 . 2 1 1 A 41 41 SER CB C 41 62.612 63.261 -0.649 1
1 307 . 2 1 1 A 41 41 SER N N 41 116.677 115.624 1.053 1
1 308 . 2 1 1 A 42 42 LEU H H 42 7.079 7.613 -0.534 1
1 309 . 2 1 1 A 42 42 LEU HA H 42 4.071 4.119 -0.048 1
1 319 . 2 1 1 A 42 42 LEU CA C 42 54.685 54.905 -0.220 1
1 320 . 2 1 1 A 42 42 LEU CB C 42 40.874 41.718 -0.844 1
1 324 . 2 1 1 A 42 42 LEU N N 42 121.868 118.017 3.851 1
1 325 . 2 1 1 A 43 43 LYS H H 43 7.345 7.433 -0.088 1
1 326 . 2 1 1 A 43 43 LYS HA H 43 3.877 3.890 -0.013 1
1 335 . 2 1 1 A 43 43 LYS CA C 43 56.035 56.703 -0.668 1
1 336 . 2 1 1 A 43 43 LYS CB C 43 28.886 30.391 -1.505 1
1 340 . 2 1 1 A 43 43 LYS N N 43 110.393 115.960 -5.567 1
1 341 . 2 1 1 A 44 44 PRO HA H 44 4.239 4.338 -0.099 1
1 348 . 2 1 1 A 44 44 PRO CA C 44 62.424 62.576 -0.152 1
1 349 . 2 1 1 A 44 44 PRO CB C 44 32.413 31.985 0.428 1
1 352 . 2 1 1 A 45 45 ILE H H 45 8.586 8.432 0.154 1
1 353 . 2 1 1 A 45 45 ILE HA H 45 4.337 4.088 0.249 1
1 363 . 2 1 1 A 45 45 ILE CA C 45 60.170 62.252 -2.082 1
1 364 . 2 1 1 A 45 45 ILE CB C 45 39.143 37.875 1.268 1
1 368 . 2 1 1 A 45 45 ILE N N 45 120.985 119.704 1.281 1
1 369 . 2 1 1 A 46 46 SER H H 46 9.512 7.816 1.696 1
1 370 . 2 1 1 A 46 46 SER HA H 46 4.055 4.740 -0.685 1
1 373 . 2 1 1 A 46 46 SER CA C 46 58.483 58.264 0.219 1
1 374 . 2 1 1 A 46 46 SER CB C 46 62.174 63.666 -1.492 1
1 375 . 2 1 1 A 46 46 SER N N 46 124.158 113.667 10.491 1
1 376 . 2 1 1 A 47 47 GLY H H 47 8.555 8.206 0.349 1
1 377 . 2 1 1 A 47 47 GLY HA2 H 47 4.020 3.903 0.117 1
1 378 . 2 1 1 A 47 47 GLY HA3 H 47 3.531 3.946 -0.415 1
1 379 . 2 1 1 A 47 47 GLY CA C 47 44.328 45.954 -1.626 1
1 380 . 2 1 1 A 47 47 GLY N N 47 162.194 110.158 52.036 1
1 381 . 2 1 1 A 48 48 PHE H H 48 7.710 7.499 0.211 1
1 382 . 2 1 1 A 48 48 PHE HA H 48 5.783 5.014 0.769 1
1 387 . 2 1 1 A 48 48 PHE CA C 48 56.732 55.662 1.070 1
1 388 . 2 1 1 A 48 48 PHE CB C 48 43.784 42.278 1.506 1
1 391 . 2 1 1 A 48 48 PHE N N 48 115.641 114.566 1.075 1
1 392 . 2 1 1 A 49 49 ILE H H 49 9.141 8.499 0.642 1
1 393 . 2 1 1 A 49 49 ILE HA H 49 4.908 4.732 0.176 1
1 403 . 2 1 1 A 49 49 ILE CA C 49 59.368 59.272 0.096 1
1 404 . 2 1 1 A 49 49 ILE CB C 49 39.945 42.293 -2.348 1
1 408 . 2 1 1 A 49 49 ILE N N 49 114.692 116.415 -1.723 1
1 409 . 2 1 1 A 50 50 THR H H 50 8.700 8.401 0.299 1
1 410 . 2 1 1 A 50 50 THR HA H 50 4.473 4.825 -0.352 1
1 415 . 2 1 1 A 50 50 THR CA C 50 60.914 60.923 -0.009 1
1 416 . 2 1 1 A 50 50 THR CB C 50 70.829 71.998 -1.169 1
1 418 . 2 1 1 A 50 50 THR N N 50 112.658 114.297 -1.639 1
1 419 . 2 1 1 A 51 51 GLY H H 51 8.778 8.957 -0.179 1
1 420 . 2 1 1 A 51 51 GLY HA2 H 51 3.790 3.623 0.167 1
1 421 . 2 1 1 A 51 51 GLY HA3 H 51 3.713 3.716 -0.003 1
1 422 . 2 1 1 A 51 51 GLY CA C 51 48.310 47.243 1.067 1
1 423 . 2 1 1 A 51 51 GLY N N 51 108.204 111.236 -3.032 1
1 424 . 2 1 1 A 52 52 ASP H H 52 8.225 7.901 0.324 1
1 425 . 2 1 1 A 52 52 ASP HA H 52 4.216 4.232 -0.016 1
1 428 . 2 1 1 A 52 52 ASP CA C 52 57.344 56.750 0.594 1
1 429 . 2 1 1 A 52 52 ASP CB C 52 40.304 40.130 0.174 1
1 430 . 2 1 1 A 52 52 ASP N N 52 119.404 121.806 -2.402 1
1 431 . 2 1 1 A 53 53 GLN H H 53 7.810 7.534 0.276 1
1 432 . 2 1 1 A 53 53 GLN HA H 53 3.969 3.930 0.039 1
1 439 . 2 1 1 A 53 53 GLN CA C 53 58.673 58.307 0.366 1
1 440 . 2 1 1 A 53 53 GLN CB C 53 29.794 28.164 1.630 1
1 442 . 2 1 1 A 53 53 GLN N N 53 118.935 118.424 0.511 1
1 444 . 2 1 1 A 54 54 ALA H H 54 8.293 8.097 0.196 1
1 445 . 2 1 1 A 54 54 ALA HA H 54 3.642 4.091 -0.449 1
1 449 . 2 1 1 A 54 54 ALA CA C 54 55.243 54.983 0.260 1
1 450 . 2 1 1 A 54 54 ALA CB C 54 19.448 17.880 1.568 1
1 451 . 2 1 1 A 54 54 ALA N N 54 120.858 122.548 -1.690 1
1 452 . 2 1 1 A 55 55 ARG H H 55 8.744 7.695 1.049 1
1 453 . 2 1 1 A 55 55 ARG HA H 55 3.795 3.484 0.311 1
1 460 . 2 1 1 A 55 55 ARG CA C 55 60.628 58.993 1.635 1
1 461 . 2 1 1 A 55 55 ARG CB C 55 30.224 29.841 0.383 1
1 464 . 2 1 1 A 55 55 ARG N N 55 115.211 118.028 -2.817 1
1 465 . 2 1 1 A 56 56 ASN H H 56 8.056 7.883 0.173 1
1 466 . 2 1 1 A 56 56 ASN HA H 56 4.470 4.512 -0.042 1
1 471 . 2 1 1 A 56 56 ASN CA C 56 56.091 56.150 -0.059 1
1 472 . 2 1 1 A 56 56 ASN CB C 56 38.069 38.131 -0.062 1
1 473 . 2 1 1 A 56 56 ASN N N 56 116.543 116.520 0.023 1
1 475 . 2 1 1 A 57 57 PHE H H 57 7.567 7.803 -0.236 1
1 476 . 2 1 1 A 57 57 PHE HA H 57 4.517 4.222 0.295 1
1 481 . 2 1 1 A 57 57 PHE CA C 57 61.373 61.576 -0.203 1
1 482 . 2 1 1 A 57 57 PHE CB C 57 39.518 39.599 -0.081 1
1 485 . 2 1 1 A 57 57 PHE N N 57 121.111 122.201 -1.090 1
1 486 . 2 1 1 A 58 58 PHE H H 58 8.995 7.467 1.528 1
1 487 . 2 1 1 A 58 58 PHE HA H 58 4.501 4.543 -0.042 1
1 491 . 2 1 1 A 58 58 PHE CA C 58 57.190 59.275 -2.085 1
1 492 . 2 1 1 A 58 58 PHE CB C 58 37.236 37.698 -0.462 1
1 494 . 2 1 1 A 58 58 PHE N N 58 119.594 117.154 2.440 1
1 495 . 2 1 1 A 59 59 PHE H H 59 8.510 8.168 0.342 1
1 496 . 2 1 1 A 59 59 PHE HA H 59 4.296 4.315 -0.019 1
1 500 . 2 1 1 A 59 59 PHE CA C 59 60.456 60.933 -0.477 1
1 501 . 2 1 1 A 59 59 PHE CB C 59 38.914 39.471 -0.557 1
1 503 . 2 1 1 A 59 59 PHE N N 59 120.834 122.240 -1.406 1
1 504 . 2 1 1 A 60 60 GLN H H 60 7.652 8.351 -0.699 1
1 505 . 2 1 1 A 60 60 GLN HA H 60 4.056 3.901 0.155 1
1 512 . 2 1 1 A 60 60 GLN CA C 60 57.133 58.782 -1.649 1
1 513 . 2 1 1 A 60 60 GLN CB C 60 27.771 28.319 -0.548 1
1 515 . 2 1 1 A 60 60 GLN N N 60 116.464 118.735 -2.271 1
1 517 . 2 1 1 A 61 61 SER H H 61 7.823 7.756 0.067 1
1 518 . 2 1 1 A 61 61 SER HA H 61 3.985 4.362 -0.377 1
1 521 . 2 1 1 A 61 61 SER CA C 61 60.571 58.859 1.712 1
1 522 . 2 1 1 A 61 61 SER CB C 61 65.277 63.431 1.846 1
1 523 . 2 1 1 A 61 61 SER N N 61 113.448 111.947 1.501 1
1 524 . 2 1 1 A 62 62 GLY H H 62 7.478 8.292 -0.814 1
1 525 . 2 1 1 A 62 62 GLY HA2 H 62 4.115 3.719 0.396 1
1 526 . 2 1 1 A 62 62 GLY HA3 H 62 3.699 3.833 -0.134 1
1 527 . 2 1 1 A 62 62 GLY CA C 62 45.445 46.141 -0.696 1
1 528 . 2 1 1 A 62 62 GLY N N 62 108.189 110.211 -2.022 1
1 529 . 2 1 1 A 63 63 LEU H H 63 7.282 7.948 -0.666 1
1 530 . 2 1 1 A 63 63 LEU HA H 63 4.471 4.724 -0.253 1
1 540 . 2 1 1 A 63 63 LEU CA C 63 52.971 52.127 0.844 1
1 541 . 2 1 1 A 63 63 LEU CB C 63 41.597 42.459 -0.862 1
1 545 . 2 1 1 A 63 63 LEU N N 63 120.356 121.304 -0.948 1
1 546 . 2 1 1 A 64 64 PRO HA H 64 4.559 4.605 -0.046 1
1 553 . 2 1 1 A 64 64 PRO CA C 64 63.039 62.934 0.105 1
1 554 . 2 1 1 A 64 64 PRO CB C 64 33.402 32.692 0.710 1
1 557 . 2 1 1 A 65 65 GLN H H 65 9.289 9.100 0.189 1
1 558 . 2 1 1 A 65 65 GLN HA H 65 4.194 4.198 -0.004 1
1 563 . 2 1 1 A 65 65 GLN CA C 65 61.180 60.407 0.773 1
1 564 . 2 1 1 A 65 65 GLN CB C 65 25.845 27.049 -1.204 1
1 566 . 2 1 1 A 65 65 GLN N N 65 122.729 123.929 -1.200 1
1 567 . 2 1 1 A 66 66 PRO HA H 66 4.399 4.336 0.063 1
1 574 . 2 1 1 A 66 66 PRO CA C 66 65.956 65.841 0.115 1
1 575 . 2 1 1 A 66 66 PRO CB C 66 30.665 30.899 -0.234 1
1 578 . 2 1 1 A 67 67 VAL H H 67 6.875 7.385 -0.510 1
1 579 . 2 1 1 A 67 67 VAL HA H 67 3.930 3.749 0.181 1
1 587 . 2 1 1 A 67 67 VAL CA C 67 64.811 65.670 -0.859 1
1 588 . 2 1 1 A 67 67 VAL CB C 67 31.581 31.529 0.052 1
1 591 . 2 1 1 A 67 67 VAL N N 67 117.350 116.395 0.955 1
1 592 . 2 1 1 A 68 68 LEU H H 68 7.965 8.299 -0.334 1
1 593 . 2 1 1 A 68 68 LEU HA H 68 3.955 3.655 0.300 1
1 603 . 2 1 1 A 68 68 LEU CA C 68 57.878 57.492 0.386 1
1 604 . 2 1 1 A 68 68 LEU CB C 68 40.821 41.641 -0.820 1
1 608 . 2 1 1 A 68 68 LEU N N 68 119.980 119.089 0.891 1
1 609 . 2 1 1 A 69 69 ALA H H 69 8.577 8.901 -0.324 1
1 610 . 2 1 1 A 69 69 ALA HA H 69 4.375 4.013 0.362 1
1 614 . 2 1 1 A 69 69 ALA CA C 69 55.128 54.903 0.225 1
1 615 . 2 1 1 A 69 69 ALA CB C 69 17.533 18.292 -0.759 1
1 616 . 2 1 1 A 69 69 ALA N N 69 122.731 120.629 2.102 1
1 617 . 2 1 1 A 70 70 GLN H H 70 7.534 7.789 -0.255 1
1 618 . 2 1 1 A 70 70 GLN HA H 70 4.190 4.022 0.168 1
1 625 . 2 1 1 A 70 70 GLN CA C 70 58.623 58.909 -0.286 1
1 626 . 2 1 1 A 70 70 GLN CB C 70 28.349 28.335 0.014 1
1 628 . 2 1 1 A 70 70 GLN N N 70 120.846 117.663 3.183 1
1 630 . 2 1 1 A 71 71 ILE H H 71 8.170 7.758 0.412 1
1 631 . 2 1 1 A 71 71 ILE HA H 71 3.455 3.726 -0.271 1
1 641 . 2 1 1 A 71 71 ILE CA C 71 66.530 65.120 1.410 1
1 642 . 2 1 1 A 71 71 ILE CB C 71 37.768 37.560 0.208 1
1 646 . 2 1 1 A 71 71 ILE N N 71 120.351 119.614 0.737 1
1 647 . 2 1 1 A 72 72 TRP H H 72 8.473 7.956 0.517 1
1 648 . 2 1 1 A 72 72 TRP HA H 72 3.845 4.203 -0.358 1
1 657 . 2 1 1 A 72 72 TRP CA C 72 61.144 61.208 -0.064 1
1 658 . 2 1 1 A 72 72 TRP CB C 72 28.496 29.075 -0.579 1
1 664 . 2 1 1 A 72 72 TRP N N 72 119.417 121.849 -2.432 1
1 666 . 2 1 1 A 73 73 ALA H H 73 7.647 8.318 -0.671 1
1 667 . 2 1 1 A 73 73 ALA HA H 73 4.012 3.897 0.115 1
1 671 . 2 1 1 A 73 73 ALA CA C 73 54.154 54.348 -0.194 1
1 672 . 2 1 1 A 73 73 ALA CB C 73 18.059 18.193 -0.134 1
1 673 . 2 1 1 A 73 73 ALA N N 73 116.148 121.453 -5.305 1
1 674 . 2 1 1 A 74 74 LEU H H 74 7.493 7.421 0.072 1
1 675 . 2 1 1 A 74 74 LEU HA H 74 3.947 4.201 -0.254 1
1 685 . 2 1 1 A 74 74 LEU CA C 74 56.478 56.615 -0.137 1
1 686 . 2 1 1 A 74 74 LEU CB C 74 43.726 42.365 1.361 1
1 690 . 2 1 1 A 74 74 LEU N N 74 115.647 116.940 -1.293 1
1 691 . 2 1 1 A 75 75 ALA H H 75 7.952 7.905 0.047 1
1 692 . 2 1 1 A 75 75 ALA HA H 75 4.019 4.148 -0.129 1
1 696 . 2 1 1 A 75 75 ALA CA C 75 53.982 55.469 -1.487 1
1 697 . 2 1 1 A 75 75 ALA CB C 75 19.913 19.090 0.823 1
1 698 . 2 1 1 A 75 75 ALA N N 75 118.000 121.115 -3.115 1
1 699 . 2 1 1 A 76 76 ASP H H 76 7.798 7.703 0.095 1
1 700 . 2 1 1 A 76 76 ASP HA H 76 4.587 4.658 -0.071 1
1 703 . 2 1 1 A 76 76 ASP CA C 76 51.849 53.458 -1.609 1
1 704 . 2 1 1 A 76 76 ASP CB C 76 36.265 39.938 -3.673 1
1 705 . 2 1 1 A 76 76 ASP N N 76 114.297 115.032 -0.735 1
1 706 . 2 1 1 A 77 77 MET H H 77 8.077 8.065 0.012 1
1 707 . 2 1 1 A 77 77 MET HA H 77 3.867 4.045 -0.178 1
1 715 . 2 1 1 A 77 77 MET CA C 77 59.024 58.359 0.665 1
1 716 . 2 1 1 A 77 77 MET CB C 77 34.550 31.768 2.782 1
1 719 . 2 1 1 A 77 77 MET N N 77 123.959 124.759 -0.800 1
1 720 . 2 1 1 A 78 78 ASN H H 78 7.801 7.764 0.037 1
1 721 . 2 1 1 A 78 78 ASN HA H 78 4.839 4.773 0.066 1
1 726 . 2 1 1 A 78 78 ASN CA C 78 50.889 52.822 -1.933 1
1 727 . 2 1 1 A 78 78 ASN CB C 78 37.028 38.779 -1.751 1
1 728 . 2 1 1 A 78 78 ASN N N 78 112.247 116.960 -4.713 1
1 730 . 2 1 1 A 79 79 ASN H H 79 8.019 8.597 -0.578 1
1 731 . 2 1 1 A 79 79 ASN HA H 79 4.380 4.485 -0.105 1
1 736 . 2 1 1 A 79 79 ASN CA C 79 54.319 53.797 0.522 1
1 737 . 2 1 1 A 79 79 ASN CB C 79 37.867 36.617 1.250 1
1 738 . 2 1 1 A 79 79 ASN N N 79 116.050 117.232 -1.182 1
1 740 . 2 1 1 A 80 80 ASP H H 80 8.019 8.324 -0.305 1
1 741 . 2 1 1 A 80 80 ASP HA H 80 4.784 4.640 0.144 1
1 744 . 2 1 1 A 80 80 ASP CA C 80 52.672 54.152 -1.480 1
1 745 . 2 1 1 A 80 80 ASP CB C 80 41.585 41.602 -0.017 1
1 746 . 2 1 1 A 80 80 ASP N N 80 115.620 123.528 -7.908 1
1 747 . 2 1 1 A 81 81 GLY H H 81 10.345 8.405 1.940 1
1 748 . 2 1 1 A 81 81 GLY HA2 H 81 4.339 3.939 0.400 1
1 749 . 2 1 1 A 81 81 GLY HA3 H 81 4.044 4.011 0.033 1
1 750 . 2 1 1 A 81 81 GLY CA C 81 46.560 46.082 0.478 1
1 751 . 2 1 1 A 81 81 GLY N N 81 112.191 107.288 4.903 1
1 752 . 2 1 1 A 82 82 ARG H H 82 8.365 7.810 0.555 1
1 753 . 2 1 1 A 82 82 ARG HA H 82 5.105 4.745 0.360 1
1 760 . 2 1 1 A 82 82 ARG CA C 82 53.982 56.661 -2.679 1
1 761 . 2 1 1 A 82 82 ARG CB C 82 33.303 32.107 1.196 1
1 764 . 2 1 1 A 82 82 ARG N N 82 117.518 116.885 0.633 1
1 765 . 2 1 1 A 83 83 MET H H 83 9.038 8.178 0.860 1
1 766 . 2 1 1 A 83 83 MET HA H 83 6.142 4.659 1.483 1
1 774 . 2 1 1 A 83 83 MET CA C 83 55.586 55.391 0.195 1
1 775 . 2 1 1 A 83 83 MET CB C 83 38.610 32.427 6.183 1
1 778 . 2 1 1 A 83 83 MET N N 83 120.510 119.045 1.465 1
1 779 . 2 1 1 A 84 84 ASP H H 84 7.586 8.591 -1.005 1
1 780 . 2 1 1 A 84 84 ASP HA H 84 5.259 5.471 -0.212 1
1 783 . 2 1 1 A 84 84 ASP CA C 84 51.182 52.781 -1.599 1
1 784 . 2 1 1 A 84 84 ASP CB C 84 42.047 44.711 -2.664 1
1 785 . 2 1 1 A 84 84 ASP N N 84 122.321 120.142 2.179 1
1 786 . 2 1 1 A 85 85 GLN H H 85 7.988 9.040 -1.052 1
1 787 . 2 1 1 A 85 85 GLN HA H 85 2.609 4.036 -1.427 1
1 794 . 2 1 1 A 85 85 GLN CA C 85 58.909 59.032 -0.123 1
1 795 . 2 1 1 A 85 85 GLN CB C 85 29.346 28.205 1.141 1
1 797 . 2 1 1 A 85 85 GLN N N 85 115.617 123.009 -7.392 1
1 799 . 2 1 1 A 86 86 VAL H H 86 7.357 8.239 -0.882 1
1 800 . 2 1 1 A 86 86 VAL HA H 86 3.557 3.860 -0.303 1
1 808 . 2 1 1 A 86 86 VAL CA C 86 66.117 64.810 1.307 1
1 809 . 2 1 1 A 86 86 VAL CB C 86 31.538 31.384 0.154 1
1 812 . 2 1 1 A 86 86 VAL N N 86 120.551 119.613 0.938 1
1 813 . 2 1 1 A 87 87 GLU H H 87 8.375 8.327 0.048 1
1 814 . 2 1 1 A 87 87 GLU HA H 87 3.908 4.086 -0.178 1
1 819 . 2 1 1 A 87 87 GLU CA C 87 59.424 59.620 -0.196 1
1 820 . 2 1 1 A 87 87 GLU CB C 87 31.466 29.375 2.091 1
1 822 . 2 1 1 A 87 87 GLU N N 87 119.417 122.150 -2.733 1
1 823 . 2 1 1 A 88 88 PHE H H 88 8.482 8.611 -0.129 1
1 824 . 2 1 1 A 88 88 PHE HA H 88 4.427 4.149 0.278 1
1 828 . 2 1 1 A 88 88 PHE CA C 88 62.061 61.202 0.859 1
1 829 . 2 1 1 A 88 88 PHE CB C 88 40.726 38.702 2.024 1
1 831 . 2 1 1 A 88 88 PHE N N 88 117.094 121.138 -4.044 1
1 832 . 2 1 1 A 89 89 SER H H 89 7.490 8.175 -0.685 1
1 833 . 2 1 1 A 89 89 SER HA H 89 4.763 3.920 0.843 1
1 836 . 2 1 1 A 89 89 SER CA C 89 59.783 60.769 -0.986 1
1 837 . 2 1 1 A 89 89 SER CB C 89 59.544 62.893 -3.349 1
1 838 . 2 1 1 A 89 89 SER N N 89 113.424 113.605 -0.181 1
1 839 . 2 1 1 A 90 90 ILE H H 90 8.034 7.959 0.075 1
1 840 . 2 1 1 A 90 90 ILE HA H 90 3.506 4.304 -0.798 1
1 850 . 2 1 1 A 90 90 ILE CA C 90 66.098 63.589 2.509 1
1 851 . 2 1 1 A 90 90 ILE CB C 90 37.905 39.026 -1.121 1
1 855 . 2 1 1 A 90 90 ILE N N 90 118.472 121.627 -3.155 1
1 856 . 2 1 1 A 91 91 ALA H H 91 8.197 8.259 -0.062 1
1 857 . 2 1 1 A 91 91 ALA HA H 91 4.286 4.133 0.153 1
1 861 . 2 1 1 A 91 91 ALA CA C 91 52.435 55.073 -2.638 1
1 862 . 2 1 1 A 91 91 ALA CB C 91 19.091 18.174 0.917 1
1 863 . 2 1 1 A 91 91 ALA N N 91 119.275 123.707 -4.432 1
1 864 . 2 1 1 A 92 92 MET H H 92 8.183 7.963 0.220 1
1 865 . 2 1 1 A 92 92 MET HA H 92 4.268 4.469 -0.201 1
1 870 . 2 1 1 A 92 92 MET CA C 92 55.643 58.104 -2.461 1
1 871 . 2 1 1 A 92 92 MET CB C 92 29.521 32.637 -3.116 1
1 873 . 2 1 1 A 92 92 MET N N 92 118.681 116.073 2.608 1
1 874 . 2 1 1 A 93 93 LYS H H 93 8.172 7.683 0.489 1
1 875 . 2 1 1 A 93 93 LYS HA H 93 4.006 4.243 -0.237 1
1 878 . 2 1 1 A 93 93 LYS CA C 93 56.840 59.143 -2.303 1
1 879 . 2 1 1 A 93 93 LYS CB C 93 32.830 31.880 0.950 1
1 880 . 2 1 1 A 93 93 LYS N N 93 120.362 120.377 -0.015 1
1 881 . 2 1 1 A 94 94 LEU H H 94 8.017 8.104 -0.087 1
1 882 . 2 1 1 A 94 94 LEU HA H 94 3.884 4.167 -0.283 1
1 892 . 2 1 1 A 94 94 LEU CA C 94 58.234 58.411 -0.177 1
1 893 . 2 1 1 A 94 94 LEU CB C 94 42.050 41.534 0.516 1
1 897 . 2 1 1 A 94 94 LEU N N 94 114.192 120.806 -6.614 1
1 898 . 2 1 1 A 95 95 ILE H H 95 8.377 8.081 0.296 1
1 899 . 2 1 1 A 95 95 ILE HA H 95 3.254 3.587 -0.333 1
1 909 . 2 1 1 A 95 95 ILE CA C 95 66.013 65.877 0.136 1
1 910 . 2 1 1 A 95 95 ILE CB C 95 38.284 38.089 0.195 1
1 914 . 2 1 1 A 95 95 ILE N N 95 118.949 120.308 -1.359 1
1 915 . 2 1 1 A 96 96 LYS H H 96 7.751 7.823 -0.072 1
1 916 . 2 1 1 A 96 96 LYS HA H 96 3.928 4.093 -0.165 1
1 925 . 2 1 1 A 96 96 LYS CA C 96 59.701 60.123 -0.422 1
1 926 . 2 1 1 A 96 96 LYS CB C 96 32.286 32.075 0.211 1
1 930 . 2 1 1 A 96 96 LYS N N 96 119.637 121.346 -1.709 1
1 931 . 2 1 1 A 97 97 LEU H H 97 8.382 7.509 0.873 1
1 932 . 2 1 1 A 97 97 LEU HA H 97 4.006 4.104 -0.098 1
1 942 . 2 1 1 A 97 97 LEU CA C 97 57.363 56.900 0.463 1
1 943 . 2 1 1 A 97 97 LEU CB C 97 40.459 41.478 -1.019 1
1 947 . 2 1 1 A 97 97 LEU N N 97 117.727 120.735 -3.008 1
1 948 . 2 1 1 A 98 98 LYS H H 98 8.761 8.386 0.375 1
1 949 . 2 1 1 A 98 98 LYS HA H 98 4.548 4.285 0.263 1
1 958 . 2 1 1 A 98 98 LYS CA C 98 57.477 58.899 -1.422 1
1 959 . 2 1 1 A 98 98 LYS CB C 98 31.294 31.951 -0.657 1
1 963 . 2 1 1 A 98 98 LYS N N 98 122.255 119.483 2.772 1
1 964 . 2 1 1 A 99 99 LEU H H 99 8.798 8.162 0.636 1
1 965 . 2 1 1 A 99 99 LEU HA H 99 4.100 4.042 0.058 1
1 975 . 2 1 1 A 99 99 LEU CA C 99 57.878 57.447 0.431 1
1 976 . 2 1 1 A 99 99 LEU CB C 99 41.605 41.274 0.331 1
1 980 . 2 1 1 A 99 99 LEU N N 99 122.214 119.424 2.790 1
1 981 . 2 1 1 A 100 100 GLN H H 100 7.749 7.801 -0.052 1
1 982 . 2 1 1 A 100 100 GLN HA H 100 4.285 4.361 -0.076 1
1 989 . 2 1 1 A 100 100 GLN CA C 100 56.503 55.698 0.805 1
1 990 . 2 1 1 A 100 100 GLN CB C 100 29.576 29.134 0.442 1
1 992 . 2 1 1 A 100 100 GLN N N 100 116.914 116.487 0.427 1
1 993 . 2 1 1 A 101 101 GLY H H 101 7.910 8.192 -0.282 1
1 994 . 2 1 1 A 101 101 GLY HA2 H 101 4.262 3.846 0.416 1
1 995 . 2 1 1 A 101 101 GLY HA3 H 101 3.661 3.946 -0.285 1
1 996 . 2 1 1 A 101 101 GLY CA C 101 44.884 45.822 -0.938 1
1 997 . 2 1 1 A 101 101 GLY N N 101 106.044 107.090 -1.046 1
1 998 . 2 1 1 A 102 102 TYR H H 102 8.078 7.803 0.275 1
1 999 . 2 1 1 A 102 102 TYR HA H 102 4.311 5.144 -0.833 1
1 1006 . 2 1 1 A 102 102 TYR CA C 102 59.253 56.608 2.645 1
1 1007 . 2 1 1 A 102 102 TYR CB C 102 37.849 43.215 -5.366 1
1 1010 . 2 1 1 A 102 102 TYR N N 102 120.876 119.033 1.843 1
1 1011 . 2 1 1 A 103 103 GLN H H 103 8.610 8.759 -0.149 1
1 1012 . 2 1 1 A 103 103 GLN HA H 103 4.280 4.639 -0.359 1
1 1015 . 2 1 1 A 103 103 GLN CA C 103 56.620 56.572 0.048 1
1 1016 . 2 1 1 A 103 103 GLN CB C 103 29.100 31.090 -1.990 1
1 1017 . 2 1 1 A 103 103 GLN N N 103 119.785 120.163 -0.378 1
1 1018 . 2 1 1 A 105 105 PRO HA H 105 4.631 4.705 -0.074 1
1 1025 . 2 1 1 A 105 105 PRO CA C 105 61.602 62.176 -0.574 1
1 1026 . 2 1 1 A 105 105 PRO CB C 105 31.690 32.993 -1.303 1
1 1029 . 2 1 1 A 106 106 SER H H 106 8.485 8.769 -0.284 1
1 1030 . 2 1 1 A 106 106 SER HA H 106 4.183 4.461 -0.278 1
1 1033 . 2 1 1 A 106 106 SER CA C 106 59.525 59.132 0.393 1
1 1034 . 2 1 1 A 106 106 SER CB C 106 63.078 63.671 -0.593 1
1 1035 . 2 1 1 A 106 106 SER N N 106 112.361 115.708 -3.347 1
1 1036 . 2 1 1 A 107 107 ALA H H 107 7.410 7.504 -0.094 1
1 1037 . 2 1 1 A 107 107 ALA HA H 107 4.308 4.608 -0.300 1
1 1041 . 2 1 1 A 107 107 ALA CA C 107 50.086 50.479 -0.393 1
1 1042 . 2 1 1 A 107 107 ALA CB C 107 21.253 20.368 0.885 1
1 1043 . 2 1 1 A 107 107 ALA N N 107 121.311 124.361 -3.050 1
1 1044 . 2 1 1 A 108 108 LEU H H 108 8.915 8.812 0.103 1
1 1045 . 2 1 1 A 108 108 LEU HA H 108 4.020 4.518 -0.498 1
1 1055 . 2 1 1 A 108 108 LEU CA C 108 52.990 53.512 -0.522 1
1 1056 . 2 1 1 A 108 108 LEU CB C 108 42.041 41.326 0.715 1
1 1060 . 2 1 1 A 108 108 LEU N N 108 122.607 124.953 -2.346 1
1 1061 . 2 1 1 A 110 110 PRO HA H 110 4.024 4.447 -0.423 1
1 1068 . 2 1 1 A 110 110 PRO CA C 110 65.440 64.244 1.196 1
1 1069 . 2 1 1 A 110 110 PRO CB C 110 31.638 31.841 -0.203 1
1 1072 . 2 1 1 A 111 111 VAL H H 111 8.118 7.527 0.591 1
1 1073 . 2 1 1 A 111 111 VAL HA H 111 3.986 3.940 0.046 1
1 1081 . 2 1 1 A 111 111 VAL CA C 111 63.779 64.894 -1.115 1
1 1082 . 2 1 1 A 111 111 VAL CB C 111 31.065 31.279 -0.214 1
1 1085 . 2 1 1 A 111 111 VAL N N 111 115.605 116.121 -0.516 1
1 1086 . 2 1 1 A 112 112 MET H H 112 7.908 7.668 0.240 1
1 1087 . 2 1 1 A 112 112 MET HA H 112 4.160 4.359 -0.199 1
1 1095 . 2 1 1 A 112 112 MET CA C 112 59.098 58.216 0.882 1
1 1096 . 2 1 1 A 112 112 MET CB C 112 34.024 32.489 1.535 1
1 1099 . 2 1 1 A 112 112 MET N N 112 118.943 118.200 0.743 1
1 1100 . 2 1 1 A 113 113 LYS H H 113 7.330 7.753 -0.423 1
1 1101 . 2 1 1 A 113 113 LYS HA H 113 4.182 4.309 -0.127 1
1 1110 . 2 1 1 A 113 113 LYS CA C 113 55.987 57.652 -1.665 1
1 1111 . 2 1 1 A 113 113 LYS CB C 113 32.841 32.814 0.027 1
1 1115 . 2 1 1 A 113 113 LYS N N 113 112.617 115.687 -3.070 1
1 1116 . 2 1 1 A 114 114 GLN H H 114 7.114 7.758 -0.644 1
1 1117 . 2 1 1 A 114 114 GLN HA H 114 4.309 4.266 0.043 1
1 1124 . 2 1 1 A 114 114 GLN CA C 114 54.956 57.973 -3.017 1
1 1125 . 2 1 1 A 114 114 GLN CB C 114 29.241 27.411 1.830 1
1 1127 . 2 1 1 A 114 114 GLN N N 114 117.852 115.980 1.872 1
1 1129 . 2 1 1 A 115 115 GLN H H 115 8.556 8.485 0.071 1
1 1130 . 2 1 1 A 115 115 GLN HA H 115 4.501 4.793 -0.292 1
1 1137 . 2 1 1 A 115 115 GLN CA C 115 53.858 52.377 1.481 1
1 1138 . 2 1 1 A 115 115 GLN CB C 115 28.234 29.713 -1.479 1
1 1140 . 2 1 1 A 115 115 GLN N N 115 123.195 121.565 1.630 1
1 1142 . 2 1 1 A 116 116 PRO HA H 116 4.530 4.562 -0.032 1
1 1149 . 2 1 1 A 116 116 PRO CA C 116 63.050 62.651 0.399 1
1 1150 . 2 1 1 A 116 116 PRO CB C 116 31.953 32.316 -0.363 1
1 1153 . 2 1 1 A 117 117 VAL H H 117 8.345 8.208 0.137 1
1 1154 . 2 1 1 A 117 117 VAL HA H 117 4.167 4.842 -0.675 1
1 1162 . 2 1 1 A 117 117 VAL CA C 117 61.258 59.845 1.413 1
1 1163 . 2 1 1 A 117 117 VAL CB C 117 33.724 34.186 -0.462 1
1 1166 . 2 1 1 A 117 117 VAL N N 117 120.361 116.721 3.640 1
1 1167 . 2 1 1 A 118 118 ALA H H 118 8.470 8.310 0.160 1
1 1168 . 2 1 1 A 118 118 ALA HA H 118 4.452 4.515 -0.063 1
1 1172 . 2 1 1 A 118 118 ALA CA C 118 51.678 51.908 -0.230 1
1 1173 . 2 1 1 A 118 118 ALA CB C 118 19.260 20.450 -1.190 1
1 1174 . 2 1 1 A 118 118 ALA N N 118 128.412 126.047 2.365 1
1 1175 . 2 1 1 A 119 119 ILE H H 119 8.250 7.950 0.300 1
1 1176 . 2 1 1 A 119 119 ILE HA H 119 4.240 3.723 0.517 1
1 1186 . 2 1 1 A 119 119 ILE CA C 119 60.743 61.912 -1.169 1
1 1187 . 2 1 1 A 119 119 ILE CB C 119 38.914 36.538 2.376 1
1 1191 . 2 1 1 A 119 119 ILE N N 119 120.929 116.765 4.164 1
1 1192 . 2 1 1 A 120 120 SER H H 120 8.413 8.051 0.362 1
1 1193 . 2 1 1 A 120 120 SER HA H 120 4.543 5.169 -0.626 1
1 1196 . 2 1 1 A 120 120 SER CA C 120 57.878 57.684 0.194 1
1 1197 . 2 1 1 A 120 120 SER CB C 120 63.951 65.550 -1.599 1
1 1198 . 2 1 1 A 120 120 SER N N 120 120.494 118.340 2.154 1
1 1 . 3 1 1 A 12 12 ALA H H 12 8.223 8.330 -0.107 1
1 2 . 3 1 1 A 12 12 ALA HA H 12 4.220 4.549 -0.329 1
1 6 . 3 1 1 A 12 12 ALA CA C 12 52.323 51.480 0.843 1
1 7 . 3 1 1 A 12 12 ALA CB C 12 19.015 22.464 -3.449 1
1 8 . 3 1 1 A 12 12 ALA N N 12 124.624 121.231 3.393 1
1 9 . 3 1 1 A 13 13 GLN H H 13 8.220 8.508 -0.288 1
1 10 . 3 1 1 A 13 13 GLN HA H 13 4.292 3.726 0.566 1
1 13 . 3 1 1 A 13 13 GLN CA C 13 55.457 57.622 -2.165 1
1 14 . 3 1 1 A 13 13 GLN CB C 13 29.804 27.214 2.590 1
1 15 . 3 1 1 A 13 13 GLN N N 13 119.119 116.937 2.182 1
1 16 . 3 1 1 A 14 14 PHE H H 14 8.109 8.668 -0.559 1
1 17 . 3 1 1 A 14 14 PHE HA H 14 4.559 4.902 -0.343 1
1 20 . 3 1 1 A 14 14 PHE CA C 14 58.250 55.724 2.526 1
1 21 . 3 1 1 A 14 14 PHE CB C 14 39.950 42.230 -2.280 1
1 22 . 3 1 1 A 14 14 PHE N N 14 121.712 120.578 1.134 1
1 23 . 3 1 1 A 15 15 PRO HA H 15 4.492 4.777 -0.285 1
1 30 . 3 1 1 A 15 15 PRO CA C 15 63.047 63.095 -0.048 1
1 31 . 3 1 1 A 15 15 PRO CB C 15 31.810 33.026 -1.216 1
1 34 . 3 1 1 A 16 16 THR H H 16 8.197 8.687 -0.490 1
1 35 . 3 1 1 A 16 16 THR HA H 16 4.614 4.567 0.047 1
1 40 . 3 1 1 A 16 16 THR CA C 16 59.526 63.480 -3.954 1
1 41 . 3 1 1 A 16 16 THR CB C 16 69.603 70.735 -1.132 1
1 43 . 3 1 1 A 16 16 THR N N 16 115.700 112.932 2.768 1
1 44 . 3 1 1 A 17 17 PRO HA H 17 4.360 4.771 -0.411 1
1 51 . 3 1 1 A 17 17 PRO CA C 17 63.321 62.488 0.833 1
1 52 . 3 1 1 A 17 17 PRO CB C 17 31.680 33.260 -1.580 1
1 55 . 3 1 1 A 18 18 PHE H H 18 8.212 8.572 -0.360 1
1 56 . 3 1 1 A 18 18 PHE HA H 18 4.589 5.150 -0.561 1
1 64 . 3 1 1 A 18 18 PHE CA C 18 57.648 56.028 1.620 1
1 65 . 3 1 1 A 18 18 PHE CB C 18 39.165 42.157 -2.992 1
1 69 . 3 1 1 A 18 18 PHE N N 18 119.185 117.321 1.864 1
1 70 . 3 1 1 A 19 19 GLY H H 19 8.250 8.479 -0.229 1
1 71 . 3 1 1 A 19 19 GLY HA2 H 19 3.943 4.131 -0.188 1
1 72 . 3 1 1 A 19 19 GLY HA3 H 19 3.935 4.257 -0.322 1
1 73 . 3 1 1 A 19 19 GLY CA C 19 45.100 44.267 0.833 1
1 74 . 3 1 1 A 19 19 GLY N N 19 110.566 106.008 4.558 1
1 75 . 3 1 1 A 20 20 GLY H H 20 7.873 8.572 -0.699 1
1 76 . 3 1 1 A 20 20 GLY HA2 H 20 3.964 3.985 -0.021 1
1 77 . 3 1 1 A 20 20 GLY HA3 H 20 3.955 3.994 -0.039 1
1 78 . 3 1 1 A 20 20 GLY CA C 20 45.056 46.239 -1.183 1
1 79 . 3 1 1 A 20 20 GLY N N 20 108.171 109.406 -1.235 1
1 80 . 3 1 1 A 21 21 SER H H 21 8.274 8.170 0.104 1
1 81 . 3 1 1 A 21 21 SER HA H 21 4.523 4.882 -0.359 1
1 84 . 3 1 1 A 21 21 SER CA C 21 57.951 56.896 1.055 1
1 85 . 3 1 1 A 21 21 SER CB C 21 63.946 66.168 -2.222 1
1 86 . 3 1 1 A 21 21 SER N N 21 115.180 119.056 -3.876 1
1 87 . 3 1 1 A 22 22 LEU H H 22 8.435 8.593 -0.158 1
1 88 . 3 1 1 A 22 22 LEU HA H 22 4.302 4.258 0.044 1
1 98 . 3 1 1 A 22 22 LEU CA C 22 55.846 57.589 -1.743 1
1 99 . 3 1 1 A 22 22 LEU CB C 22 42.229 42.060 0.169 1
1 103 . 3 1 1 A 22 22 LEU N N 22 123.998 124.745 -0.747 1
1 104 . 3 1 1 A 23 23 ASP H H 23 8.291 7.695 0.596 1
1 105 . 3 1 1 A 23 23 ASP HA H 23 4.494 4.951 -0.457 1
1 108 . 3 1 1 A 23 23 ASP CA C 23 54.981 53.898 1.083 1
1 109 . 3 1 1 A 23 23 ASP CB C 23 41.190 39.282 1.908 1
1 110 . 3 1 1 A 23 23 ASP N N 23 120.385 118.249 2.136 1
1 111 . 3 1 1 A 24 24 THR H H 24 8.010 7.898 0.112 1
1 112 . 3 1 1 A 24 24 THR HA H 24 3.770 4.021 -0.251 1
1 117 . 3 1 1 A 24 24 THR CA C 24 64.590 65.406 -0.816 1
1 118 . 3 1 1 A 24 24 THR CB C 24 69.620 68.661 0.959 1
1 120 . 3 1 1 A 24 24 THR N N 24 117.799 118.584 -0.785 1
1 121 . 3 1 1 A 25 25 TRP H H 25 7.780 7.663 0.117 1
1 122 . 3 1 1 A 25 25 TRP HA H 25 4.012 4.788 -0.776 1
1 131 . 3 1 1 A 25 25 TRP CA C 25 57.837 56.921 0.916 1
1 132 . 3 1 1 A 25 25 TRP CB C 25 28.842 29.216 -0.374 1
1 138 . 3 1 1 A 25 25 TRP N N 25 118.659 119.084 -0.425 1
1 140 . 3 1 1 A 26 26 ALA H H 26 7.101 7.376 -0.275 1
1 141 . 3 1 1 A 26 26 ALA HA H 26 3.949 4.601 -0.652 1
1 145 . 3 1 1 A 26 26 ALA CA C 26 52.102 50.611 1.491 1
1 146 . 3 1 1 A 26 26 ALA CB C 26 18.840 21.978 -3.138 1
1 147 . 3 1 1 A 26 26 ALA N N 26 117.054 123.110 -6.056 1
1 148 . 3 1 1 A 27 27 ILE H H 27 8.687 8.729 -0.042 1
1 149 . 3 1 1 A 27 27 ILE HA H 27 4.332 4.380 -0.048 1
1 159 . 3 1 1 A 27 27 ILE CA C 27 61.430 60.948 0.482 1
1 160 . 3 1 1 A 27 27 ILE CB C 27 38.550 36.806 1.744 1
1 164 . 3 1 1 A 27 27 ILE N N 27 125.107 121.514 3.593 1
1 165 . 3 1 1 A 28 28 THR H H 28 8.981 7.897 1.084 1
1 166 . 3 1 1 A 28 28 THR HA H 28 4.760 4.613 0.147 1
1 171 . 3 1 1 A 28 28 THR CA C 28 60.685 61.396 -0.711 1
1 172 . 3 1 1 A 28 28 THR CB C 28 71.252 69.609 1.643 1
1 174 . 3 1 1 A 28 28 THR N N 28 118.938 121.844 -2.906 1
1 175 . 3 1 1 A 29 29 VAL H H 29 8.612 8.849 -0.237 1
1 176 . 3 1 1 A 29 29 VAL HA H 29 3.532 3.863 -0.331 1
1 184 . 3 1 1 A 29 29 VAL CA C 29 66.349 65.369 0.980 1
1 185 . 3 1 1 A 29 29 VAL CB C 29 31.799 31.575 0.224 1
1 188 . 3 1 1 A 29 29 VAL N N 29 119.411 123.945 -4.534 1
1 189 . 3 1 1 A 30 30 GLU H H 30 8.432 8.032 0.400 1
1 190 . 3 1 1 A 30 30 GLU HA H 30 4.011 3.916 0.095 1
1 195 . 3 1 1 A 30 30 GLU CA C 30 59.597 59.723 -0.126 1
1 196 . 3 1 1 A 30 30 GLU CB C 30 28.912 29.023 -0.111 1
1 198 . 3 1 1 A 30 30 GLU N N 30 119.890 120.708 -0.818 1
1 199 . 3 1 1 A 31 31 GLU H H 31 7.737 8.259 -0.522 1
1 200 . 3 1 1 A 31 31 GLU HA H 31 3.604 4.038 -0.434 1
1 205 . 3 1 1 A 31 31 GLU CA C 31 58.718 59.191 -0.473 1
1 206 . 3 1 1 A 31 31 GLU CB C 31 30.666 29.123 1.543 1
1 208 . 3 1 1 A 31 31 GLU N N 31 120.821 117.924 2.897 1
1 209 . 3 1 1 A 32 32 ARG H H 32 8.382 8.953 -0.571 1
1 210 . 3 1 1 A 32 32 ARG HA H 32 3.998 4.129 -0.131 1
1 213 . 3 1 1 A 32 32 ARG CA C 32 57.356 58.974 -1.618 1
1 214 . 3 1 1 A 32 32 ARG CB C 32 28.870 29.954 -1.084 1
1 215 . 3 1 1 A 32 32 ARG N N 32 117.523 120.691 -3.168 1
1 216 . 3 1 1 A 33 33 ALA H H 33 7.919 8.700 -0.781 1
1 217 . 3 1 1 A 33 33 ALA HA H 33 4.248 4.066 0.182 1
1 221 . 3 1 1 A 33 33 ALA CA C 33 55.007 55.058 -0.051 1
1 222 . 3 1 1 A 33 33 ALA CB C 33 17.601 18.264 -0.663 1
1 223 . 3 1 1 A 33 33 ALA N N 33 119.982 121.710 -1.728 1
1 224 . 3 1 1 A 34 34 LYS H H 34 7.212 7.859 -0.647 1
1 225 . 3 1 1 A 34 34 LYS HA H 34 4.194 4.130 0.064 1
1 234 . 3 1 1 A 34 34 LYS CA C 34 58.852 58.599 0.253 1
1 235 . 3 1 1 A 34 34 LYS CB C 34 31.598 31.901 -0.303 1
1 239 . 3 1 1 A 34 34 LYS N N 34 119.567 118.099 1.468 1
1 240 . 3 1 1 A 35 35 HIS H H 35 8.814 8.056 0.758 1
1 241 . 3 1 1 A 35 35 HIS HA H 35 4.923 4.215 0.708 1
1 244 . 3 1 1 A 35 35 HIS CA C 35 57.821 59.070 -1.249 1
1 245 . 3 1 1 A 35 35 HIS CB C 35 29.950 28.511 1.439 1
1 246 . 3 1 1 A 35 35 HIS N N 35 122.252 117.716 4.536 1
1 247 . 3 1 1 A 36 36 ASP H H 36 9.292 7.972 1.320 1
1 248 . 3 1 1 A 36 36 ASP HA H 36 4.454 3.920 0.534 1
1 251 . 3 1 1 A 36 36 ASP CA C 36 57.305 57.338 -0.033 1
1 252 . 3 1 1 A 36 36 ASP CB C 36 39.889 41.152 -1.263 1
1 253 . 3 1 1 A 36 36 ASP N N 36 118.831 122.072 -3.241 1
1 254 . 3 1 1 A 37 37 GLN H H 37 7.673 7.855 -0.182 1
1 255 . 3 1 1 A 37 37 GLN HA H 37 4.241 3.995 0.246 1
1 262 . 3 1 1 A 37 37 GLN CA C 37 59.019 59.326 -0.307 1
1 263 . 3 1 1 A 37 37 GLN CB C 37 28.315 28.319 -0.004 1
1 265 . 3 1 1 A 37 37 GLN N N 37 120.072 119.185 0.887 1
1 266 . 3 1 1 A 38 38 GLN H H 38 8.329 8.264 0.065 1
1 267 . 3 1 1 A 38 38 GLN HA H 38 4.040 4.191 -0.151 1
1 274 . 3 1 1 A 38 38 GLN CA C 38 58.734 59.003 -0.269 1
1 275 . 3 1 1 A 38 38 GLN CB C 38 28.549 28.689 -0.140 1
1 277 . 3 1 1 A 38 38 GLN N N 38 120.847 118.397 2.450 1
1 279 . 3 1 1 A 39 39 PHE H H 39 9.453 8.423 1.030 1
1 280 . 3 1 1 A 39 39 PHE HA H 39 2.811 3.981 -1.170 1
1 286 . 3 1 1 A 39 39 PHE CA C 39 61.602 61.354 0.248 1
1 287 . 3 1 1 A 39 39 PHE CB C 39 38.799 38.905 -0.106 1
1 291 . 3 1 1 A 39 39 PHE N N 39 123.507 122.977 0.530 1
1 292 . 3 1 1 A 40 40 HIS H H 40 8.096 8.086 0.010 1
1 293 . 3 1 1 A 40 40 HIS HA H 40 3.884 3.952 -0.068 1
1 297 . 3 1 1 A 40 40 HIS CA C 40 59.910 59.865 0.045 1
1 298 . 3 1 1 A 40 40 HIS CB C 40 29.558 29.501 0.057 1
1 300 . 3 1 1 A 40 40 HIS N N 40 114.319 117.686 -3.367 1
1 301 . 3 1 1 A 41 41 SER H H 41 7.818 7.752 0.066 1
1 302 . 3 1 1 A 41 41 SER HA H 41 4.300 4.206 0.094 1
1 305 . 3 1 1 A 41 41 SER CA C 41 60.851 60.813 0.038 1
1 306 . 3 1 1 A 41 41 SER CB C 41 62.612 63.313 -0.701 1
1 307 . 3 1 1 A 41 41 SER N N 41 116.677 114.061 2.616 1
1 308 . 3 1 1 A 42 42 LEU H H 42 7.079 7.426 -0.347 1
1 309 . 3 1 1 A 42 42 LEU HA H 42 4.071 3.912 0.159 1
1 319 . 3 1 1 A 42 42 LEU CA C 42 54.685 56.484 -1.799 1
1 320 . 3 1 1 A 42 42 LEU CB C 42 40.874 42.416 -1.542 1
1 324 . 3 1 1 A 42 42 LEU N N 42 121.868 121.835 0.033 1
1 325 . 3 1 1 A 43 43 LYS H H 43 7.345 7.332 0.013 1
1 326 . 3 1 1 A 43 43 LYS HA H 43 3.877 3.729 0.148 1
1 335 . 3 1 1 A 43 43 LYS CA C 43 56.035 56.951 -0.916 1
1 336 . 3 1 1 A 43 43 LYS CB C 43 28.886 30.801 -1.915 1
1 340 . 3 1 1 A 43 43 LYS N N 43 110.393 119.094 -8.701 1
1 341 . 3 1 1 A 44 44 PRO HA H 44 4.239 4.089 0.150 1
1 348 . 3 1 1 A 44 44 PRO CA C 44 62.424 62.790 -0.366 1
1 349 . 3 1 1 A 44 44 PRO CB C 44 32.413 31.683 0.730 1
1 352 . 3 1 1 A 45 45 ILE H H 45 8.586 8.639 -0.053 1
1 353 . 3 1 1 A 45 45 ILE HA H 45 4.337 4.175 0.162 1
1 363 . 3 1 1 A 45 45 ILE CA C 45 60.170 60.048 0.122 1
1 364 . 3 1 1 A 45 45 ILE CB C 45 39.143 36.504 2.639 1
1 368 . 3 1 1 A 45 45 ILE N N 45 120.985 122.612 -1.627 1
1 369 . 3 1 1 A 46 46 SER H H 46 9.512 9.043 0.469 1
1 370 . 3 1 1 A 46 46 SER HA H 46 4.055 4.137 -0.082 1
1 373 . 3 1 1 A 46 46 SER CA C 46 58.483 59.336 -0.853 1
1 374 . 3 1 1 A 46 46 SER CB C 46 62.174 61.719 0.455 1
1 375 . 3 1 1 A 46 46 SER N N 46 124.158 124.372 -0.214 1
1 376 . 3 1 1 A 47 47 GLY H H 47 8.555 8.205 0.350 1
1 377 . 3 1 1 A 47 47 GLY HA2 H 47 4.020 4.130 -0.110 1
1 378 . 3 1 1 A 47 47 GLY HA3 H 47 3.531 4.152 -0.621 1
1 379 . 3 1 1 A 47 47 GLY CA C 47 44.328 45.356 -1.028 1
1 380 . 3 1 1 A 47 47 GLY N N 47 162.194 106.092 56.102 1
1 381 . 3 1 1 A 48 48 PHE H H 48 7.710 7.019 0.691 1
1 382 . 3 1 1 A 48 48 PHE HA H 48 5.783 5.447 0.336 1
1 387 . 3 1 1 A 48 48 PHE CA C 48 56.732 55.633 1.099 1
1 388 . 3 1 1 A 48 48 PHE CB C 48 43.784 41.944 1.840 1
1 391 . 3 1 1 A 48 48 PHE N N 48 115.641 115.109 0.532 1
1 392 . 3 1 1 A 49 49 ILE H H 49 9.141 9.019 0.122 1
1 393 . 3 1 1 A 49 49 ILE HA H 49 4.908 5.057 -0.149 1
1 403 . 3 1 1 A 49 49 ILE CA C 49 59.368 59.224 0.144 1
1 404 . 3 1 1 A 49 49 ILE CB C 49 39.945 42.213 -2.268 1
1 408 . 3 1 1 A 49 49 ILE N N 49 114.692 115.861 -1.169 1
1 409 . 3 1 1 A 50 50 THR H H 50 8.700 8.491 0.209 1
1 410 . 3 1 1 A 50 50 THR HA H 50 4.473 5.038 -0.565 1
1 415 . 3 1 1 A 50 50 THR CA C 50 60.914 60.061 0.853 1
1 416 . 3 1 1 A 50 50 THR CB C 50 70.829 70.560 0.269 1
1 418 . 3 1 1 A 50 50 THR N N 50 112.658 115.760 -3.102 1
1 419 . 3 1 1 A 51 51 GLY H H 51 8.778 9.177 -0.399 1
1 420 . 3 1 1 A 51 51 GLY HA2 H 51 3.790 3.508 0.282 1
1 421 . 3 1 1 A 51 51 GLY HA3 H 51 3.713 3.661 0.052 1
1 422 . 3 1 1 A 51 51 GLY CA C 51 48.310 47.391 0.919 1
1 423 . 3 1 1 A 51 51 GLY N N 51 108.204 113.661 -5.457 1
1 424 . 3 1 1 A 52 52 ASP H H 52 8.225 8.309 -0.084 1
1 425 . 3 1 1 A 52 52 ASP HA H 52 4.216 4.216 0.000 1
1 428 . 3 1 1 A 52 52 ASP CA C 52 57.344 57.383 -0.039 1
1 429 . 3 1 1 A 52 52 ASP CB C 52 40.304 41.612 -1.308 1
1 430 . 3 1 1 A 52 52 ASP N N 52 119.404 121.528 -2.124 1
1 431 . 3 1 1 A 53 53 GLN H H 53 7.810 7.827 -0.017 1
1 432 . 3 1 1 A 53 53 GLN HA H 53 3.969 4.045 -0.076 1
1 439 . 3 1 1 A 53 53 GLN CA C 53 58.673 58.632 0.041 1
1 440 . 3 1 1 A 53 53 GLN CB C 53 29.794 28.431 1.363 1
1 442 . 3 1 1 A 53 53 GLN N N 53 118.935 117.209 1.726 1
1 444 . 3 1 1 A 54 54 ALA H H 54 8.293 8.241 0.052 1
1 445 . 3 1 1 A 54 54 ALA HA H 54 3.642 3.835 -0.193 1
1 449 . 3 1 1 A 54 54 ALA CA C 54 55.243 55.141 0.102 1
1 450 . 3 1 1 A 54 54 ALA CB C 54 19.448 17.725 1.723 1
1 451 . 3 1 1 A 54 54 ALA N N 54 120.858 122.803 -1.945 1
1 452 . 3 1 1 A 55 55 ARG H H 55 8.744 8.012 0.732 1
1 453 . 3 1 1 A 55 55 ARG HA H 55 3.795 3.912 -0.117 1
1 460 . 3 1 1 A 55 55 ARG CA C 55 60.628 58.820 1.808 1
1 461 . 3 1 1 A 55 55 ARG CB C 55 30.224 30.122 0.102 1
1 464 . 3 1 1 A 55 55 ARG N N 55 115.211 117.097 -1.886 1
1 465 . 3 1 1 A 56 56 ASN H H 56 8.056 7.689 0.367 1
1 466 . 3 1 1 A 56 56 ASN HA H 56 4.470 4.547 -0.077 1
1 471 . 3 1 1 A 56 56 ASN CA C 56 56.091 56.318 -0.227 1
1 472 . 3 1 1 A 56 56 ASN CB C 56 38.069 38.877 -0.808 1
1 473 . 3 1 1 A 56 56 ASN N N 56 116.543 118.343 -1.800 1
1 475 . 3 1 1 A 57 57 PHE H H 57 7.567 8.273 -0.706 1
1 476 . 3 1 1 A 57 57 PHE HA H 57 4.517 4.349 0.168 1
1 481 . 3 1 1 A 57 57 PHE CA C 57 61.373 61.598 -0.225 1
1 482 . 3 1 1 A 57 57 PHE CB C 57 39.518 39.275 0.243 1
1 485 . 3 1 1 A 57 57 PHE N N 57 121.111 120.135 0.976 1
1 486 . 3 1 1 A 58 58 PHE H H 58 8.995 8.874 0.121 1
1 487 . 3 1 1 A 58 58 PHE HA H 58 4.501 4.351 0.150 1
1 491 . 3 1 1 A 58 58 PHE CA C 58 57.190 61.463 -4.273 1
1 492 . 3 1 1 A 58 58 PHE CB C 58 37.236 38.470 -1.234 1
1 494 . 3 1 1 A 58 58 PHE N N 58 119.594 118.298 1.296 1
1 495 . 3 1 1 A 59 59 PHE H H 59 8.510 8.461 0.049 1
1 496 . 3 1 1 A 59 59 PHE HA H 59 4.296 4.135 0.161 1
1 500 . 3 1 1 A 59 59 PHE CA C 59 60.456 61.379 -0.923 1
1 501 . 3 1 1 A 59 59 PHE CB C 59 38.914 39.130 -0.216 1
1 503 . 3 1 1 A 59 59 PHE N N 59 120.834 119.343 1.491 1
1 504 . 3 1 1 A 60 60 GLN H H 60 7.652 8.373 -0.721 1
1 505 . 3 1 1 A 60 60 GLN HA H 60 4.056 4.048 0.008 1
1 512 . 3 1 1 A 60 60 GLN CA C 60 57.133 57.646 -0.513 1
1 513 . 3 1 1 A 60 60 GLN CB C 60 27.771 28.439 -0.668 1
1 515 . 3 1 1 A 60 60 GLN N N 60 116.464 119.194 -2.730 1
1 517 . 3 1 1 A 61 61 SER H H 61 7.823 7.392 0.431 1
1 518 . 3 1 1 A 61 61 SER HA H 61 3.985 4.319 -0.334 1
1 521 . 3 1 1 A 61 61 SER CA C 61 60.571 58.242 2.329 1
1 522 . 3 1 1 A 61 61 SER CB C 61 65.277 63.572 1.705 1
1 523 . 3 1 1 A 61 61 SER N N 61 113.448 112.185 1.263 1
1 524 . 3 1 1 A 62 62 GLY H H 62 7.478 8.869 -1.391 1
1 525 . 3 1 1 A 62 62 GLY HA2 H 62 4.115 3.760 0.355 1
1 526 . 3 1 1 A 62 62 GLY HA3 H 62 3.699 3.836 -0.137 1
1 527 . 3 1 1 A 62 62 GLY CA C 62 45.445 46.166 -0.721 1
1 528 . 3 1 1 A 62 62 GLY N N 62 108.189 109.960 -1.771 1
1 529 . 3 1 1 A 63 63 LEU H H 63 7.282 7.686 -0.404 1
1 530 . 3 1 1 A 63 63 LEU HA H 63 4.471 4.788 -0.317 1
1 540 . 3 1 1 A 63 63 LEU CA C 63 52.971 51.388 1.583 1
1 541 . 3 1 1 A 63 63 LEU CB C 63 41.597 45.071 -3.474 1
1 545 . 3 1 1 A 63 63 LEU N N 63 120.356 120.720 -0.364 1
1 546 . 3 1 1 A 64 64 PRO HA H 64 4.559 4.791 -0.232 1
1 553 . 3 1 1 A 64 64 PRO CA C 64 63.039 62.266 0.773 1
1 554 . 3 1 1 A 64 64 PRO CB C 64 33.402 32.797 0.605 1
1 557 . 3 1 1 A 65 65 GLN H H 65 9.289 8.754 0.535 1
1 558 . 3 1 1 A 65 65 GLN HA H 65 4.194 4.132 0.062 1
1 563 . 3 1 1 A 65 65 GLN CA C 65 61.180 60.327 0.853 1
1 564 . 3 1 1 A 65 65 GLN CB C 65 25.845 27.888 -2.043 1
1 566 . 3 1 1 A 65 65 GLN N N 65 122.729 122.308 0.421 1
1 567 . 3 1 1 A 66 66 PRO HA H 66 4.399 4.409 -0.010 1
1 574 . 3 1 1 A 66 66 PRO CA C 66 65.956 65.734 0.222 1
1 575 . 3 1 1 A 66 66 PRO CB C 66 30.665 30.958 -0.293 1
1 578 . 3 1 1 A 67 67 VAL H H 67 6.875 7.011 -0.136 1
1 579 . 3 1 1 A 67 67 VAL HA H 67 3.930 3.851 0.079 1
1 587 . 3 1 1 A 67 67 VAL CA C 67 64.811 65.433 -0.622 1
1 588 . 3 1 1 A 67 67 VAL CB C 67 31.581 31.511 0.070 1
1 591 . 3 1 1 A 67 67 VAL N N 67 117.350 116.668 0.682 1
1 592 . 3 1 1 A 68 68 LEU H H 68 7.965 8.317 -0.352 1
1 593 . 3 1 1 A 68 68 LEU HA H 68 3.955 4.203 -0.248 1
1 603 . 3 1 1 A 68 68 LEU CA C 68 57.878 57.995 -0.117 1
1 604 . 3 1 1 A 68 68 LEU CB C 68 40.821 41.795 -0.974 1
1 608 . 3 1 1 A 68 68 LEU N N 68 119.980 119.860 0.120 1
1 609 . 3 1 1 A 69 69 ALA H H 69 8.577 9.052 -0.475 1
1 610 . 3 1 1 A 69 69 ALA HA H 69 4.375 4.249 0.126 1
1 614 . 3 1 1 A 69 69 ALA CA C 69 55.128 55.391 -0.263 1
1 615 . 3 1 1 A 69 69 ALA CB C 69 17.533 18.278 -0.745 1
1 616 . 3 1 1 A 69 69 ALA N N 69 122.731 121.094 1.637 1
1 617 . 3 1 1 A 70 70 GLN H H 70 7.534 7.848 -0.314 1
1 618 . 3 1 1 A 70 70 GLN HA H 70 4.190 4.075 0.115 1
1 625 . 3 1 1 A 70 70 GLN CA C 70 58.623 59.114 -0.491 1
1 626 . 3 1 1 A 70 70 GLN CB C 70 28.349 28.231 0.118 1
1 628 . 3 1 1 A 70 70 GLN N N 70 120.846 117.979 2.867 1
1 630 . 3 1 1 A 71 71 ILE H H 71 8.170 7.933 0.237 1
1 631 . 3 1 1 A 71 71 ILE HA H 71 3.455 3.857 -0.402 1
1 641 . 3 1 1 A 71 71 ILE CA C 71 66.530 65.445 1.085 1
1 642 . 3 1 1 A 71 71 ILE CB C 71 37.768 37.938 -0.170 1
1 646 . 3 1 1 A 71 71 ILE N N 71 120.351 119.886 0.465 1
1 647 . 3 1 1 A 72 72 TRP H H 72 8.473 8.598 -0.125 1
1 648 . 3 1 1 A 72 72 TRP HA H 72 3.845 4.304 -0.459 1
1 657 . 3 1 1 A 72 72 TRP CA C 72 61.144 61.275 -0.131 1
1 658 . 3 1 1 A 72 72 TRP CB C 72 28.496 29.181 -0.685 1
1 664 . 3 1 1 A 72 72 TRP N N 72 119.417 122.330 -2.913 1
1 666 . 3 1 1 A 73 73 ALA H H 73 7.647 8.488 -0.841 1
1 667 . 3 1 1 A 73 73 ALA HA H 73 4.012 3.939 0.073 1
1 671 . 3 1 1 A 73 73 ALA CA C 73 54.154 54.191 -0.037 1
1 672 . 3 1 1 A 73 73 ALA CB C 73 18.059 18.430 -0.371 1
1 673 . 3 1 1 A 73 73 ALA N N 73 116.148 121.646 -5.498 1
1 674 . 3 1 1 A 74 74 LEU H H 74 7.493 7.477 0.016 1
1 675 . 3 1 1 A 74 74 LEU HA H 74 3.947 4.241 -0.294 1
1 685 . 3 1 1 A 74 74 LEU CA C 74 56.478 56.781 -0.303 1
1 686 . 3 1 1 A 74 74 LEU CB C 74 43.726 42.162 1.564 1
1 690 . 3 1 1 A 74 74 LEU N N 74 115.647 116.140 -0.493 1
1 691 . 3 1 1 A 75 75 ALA H H 75 7.952 8.200 -0.248 1
1 692 . 3 1 1 A 75 75 ALA HA H 75 4.019 4.204 -0.185 1
1 696 . 3 1 1 A 75 75 ALA CA C 75 53.982 55.443 -1.461 1
1 697 . 3 1 1 A 75 75 ALA CB C 75 19.913 18.954 0.959 1
1 698 . 3 1 1 A 75 75 ALA N N 75 118.000 121.572 -3.572 1
1 699 . 3 1 1 A 76 76 ASP H H 76 7.798 8.335 -0.537 1
1 700 . 3 1 1 A 76 76 ASP HA H 76 4.587 4.680 -0.093 1
1 703 . 3 1 1 A 76 76 ASP CA C 76 51.849 53.556 -1.707 1
1 704 . 3 1 1 A 76 76 ASP CB C 76 36.265 40.058 -3.793 1
1 705 . 3 1 1 A 76 76 ASP N N 76 114.297 114.744 -0.447 1
1 706 . 3 1 1 A 77 77 MET H H 77 8.077 8.084 -0.007 1
1 707 . 3 1 1 A 77 77 MET HA H 77 3.867 4.005 -0.138 1
1 715 . 3 1 1 A 77 77 MET CA C 77 59.024 58.396 0.628 1
1 716 . 3 1 1 A 77 77 MET CB C 77 34.550 32.064 2.486 1
1 719 . 3 1 1 A 77 77 MET N N 77 123.959 124.849 -0.890 1
1 720 . 3 1 1 A 78 78 ASN H H 78 7.801 7.731 0.070 1
1 721 . 3 1 1 A 78 78 ASN HA H 78 4.839 4.743 0.096 1
1 726 . 3 1 1 A 78 78 ASN CA C 78 50.889 54.174 -3.285 1
1 727 . 3 1 1 A 78 78 ASN CB C 78 37.028 39.051 -2.023 1
1 728 . 3 1 1 A 78 78 ASN N N 78 112.247 118.079 -5.832 1
1 730 . 3 1 1 A 79 79 ASN H H 79 8.019 8.599 -0.580 1
1 731 . 3 1 1 A 79 79 ASN HA H 79 4.380 4.467 -0.087 1
1 736 . 3 1 1 A 79 79 ASN CA C 79 54.319 53.824 0.495 1
1 737 . 3 1 1 A 79 79 ASN CB C 79 37.867 36.668 1.199 1
1 738 . 3 1 1 A 79 79 ASN N N 79 116.050 117.114 -1.064 1
1 740 . 3 1 1 A 80 80 ASP H H 80 8.019 8.345 -0.326 1
1 741 . 3 1 1 A 80 80 ASP HA H 80 4.784 4.737 0.047 1
1 744 . 3 1 1 A 80 80 ASP CA C 80 52.672 54.180 -1.508 1
1 745 . 3 1 1 A 80 80 ASP CB C 80 41.585 41.613 -0.028 1
1 746 . 3 1 1 A 80 80 ASP N N 80 115.620 124.093 -8.473 1
1 747 . 3 1 1 A 81 81 GLY H H 81 10.345 8.096 2.249 1
1 748 . 3 1 1 A 81 81 GLY HA2 H 81 4.339 4.268 0.071 1
1 749 . 3 1 1 A 81 81 GLY HA3 H 81 4.044 4.636 -0.592 1
1 750 . 3 1 1 A 81 81 GLY CA C 81 46.560 46.125 0.435 1
1 751 . 3 1 1 A 81 81 GLY N N 81 112.191 107.096 5.095 1
1 752 . 3 1 1 A 82 82 ARG H H 82 8.365 8.002 0.363 1
1 753 . 3 1 1 A 82 82 ARG HA H 82 5.105 4.624 0.481 1
1 760 . 3 1 1 A 82 82 ARG CA C 82 53.982 57.055 -3.073 1
1 761 . 3 1 1 A 82 82 ARG CB C 82 33.303 32.091 1.212 1
1 764 . 3 1 1 A 82 82 ARG N N 82 117.518 118.806 -1.288 1
1 765 . 3 1 1 A 83 83 MET H H 83 9.038 8.273 0.765 1
1 766 . 3 1 1 A 83 83 MET HA H 83 6.142 4.315 1.827 1
1 774 . 3 1 1 A 83 83 MET CA C 83 55.586 56.211 -0.625 1
1 775 . 3 1 1 A 83 83 MET CB C 83 38.610 30.416 8.194 1
1 778 . 3 1 1 A 83 83 MET N N 83 120.510 119.626 0.884 1
1 779 . 3 1 1 A 84 84 ASP H H 84 7.586 8.463 -0.877 1
1 780 . 3 1 1 A 84 84 ASP HA H 84 5.259 4.850 0.409 1
1 783 . 3 1 1 A 84 84 ASP CA C 84 51.182 53.216 -2.034 1
1 784 . 3 1 1 A 84 84 ASP CB C 84 42.047 42.617 -0.570 1
1 785 . 3 1 1 A 84 84 ASP N N 84 122.321 122.776 -0.455 1
1 786 . 3 1 1 A 85 85 GLN H H 85 7.988 8.698 -0.710 1
1 787 . 3 1 1 A 85 85 GLN HA H 85 2.609 3.957 -1.348 1
1 794 . 3 1 1 A 85 85 GLN CA C 85 58.909 59.331 -0.422 1
1 795 . 3 1 1 A 85 85 GLN CB C 85 29.346 28.233 1.113 1
1 797 . 3 1 1 A 85 85 GLN N N 85 115.617 123.549 -7.932 1
1 799 . 3 1 1 A 86 86 VAL H H 86 7.357 7.891 -0.534 1
1 800 . 3 1 1 A 86 86 VAL HA H 86 3.557 3.522 0.035 1
1 808 . 3 1 1 A 86 86 VAL CA C 86 66.117 66.285 -0.168 1
1 809 . 3 1 1 A 86 86 VAL CB C 86 31.538 31.699 -0.161 1
1 812 . 3 1 1 A 86 86 VAL N N 86 120.551 120.281 0.270 1
1 813 . 3 1 1 A 87 87 GLU H H 87 8.375 8.205 0.170 1
1 814 . 3 1 1 A 87 87 GLU HA H 87 3.908 4.106 -0.198 1
1 819 . 3 1 1 A 87 87 GLU CA C 87 59.424 59.406 0.018 1
1 820 . 3 1 1 A 87 87 GLU CB C 87 31.466 29.472 1.994 1
1 822 . 3 1 1 A 87 87 GLU N N 87 119.417 119.007 0.410 1
1 823 . 3 1 1 A 88 88 PHE H H 88 8.482 9.175 -0.693 1
1 824 . 3 1 1 A 88 88 PHE HA H 88 4.427 4.306 0.121 1
1 828 . 3 1 1 A 88 88 PHE CA C 88 62.061 61.095 0.966 1
1 829 . 3 1 1 A 88 88 PHE CB C 88 40.726 39.149 1.577 1
1 831 . 3 1 1 A 88 88 PHE N N 88 117.094 122.287 -5.193 1
1 832 . 3 1 1 A 89 89 SER H H 89 7.490 8.052 -0.562 1
1 833 . 3 1 1 A 89 89 SER HA H 89 4.763 4.179 0.584 1
1 836 . 3 1 1 A 89 89 SER CA C 89 59.783 61.423 -1.640 1
1 837 . 3 1 1 A 89 89 SER CB C 89 59.544 63.204 -3.660 1
1 838 . 3 1 1 A 89 89 SER N N 89 113.424 115.260 -1.836 1
1 839 . 3 1 1 A 90 90 ILE H H 90 8.034 7.821 0.213 1
1 840 . 3 1 1 A 90 90 ILE HA H 90 3.506 4.386 -0.880 1
1 850 . 3 1 1 A 90 90 ILE CA C 90 66.098 62.130 3.968 1
1 851 . 3 1 1 A 90 90 ILE CB C 90 37.905 40.000 -2.095 1
1 855 . 3 1 1 A 90 90 ILE N N 90 118.472 121.786 -3.314 1
1 856 . 3 1 1 A 91 91 ALA H H 91 8.197 7.855 0.342 1
1 857 . 3 1 1 A 91 91 ALA HA H 91 4.286 4.211 0.075 1
1 861 . 3 1 1 A 91 91 ALA CA C 91 52.435 55.380 -2.945 1
1 862 . 3 1 1 A 91 91 ALA CB C 91 19.091 18.313 0.778 1
1 863 . 3 1 1 A 91 91 ALA N N 91 119.275 124.514 -5.239 1
1 864 . 3 1 1 A 92 92 MET H H 92 8.183 7.676 0.507 1
1 865 . 3 1 1 A 92 92 MET HA H 92 4.268 4.010 0.258 1
1 870 . 3 1 1 A 92 92 MET CA C 92 55.643 57.565 -1.922 1
1 871 . 3 1 1 A 92 92 MET CB C 92 29.521 31.980 -2.459 1
1 873 . 3 1 1 A 92 92 MET N N 92 118.681 115.911 2.770 1
1 874 . 3 1 1 A 93 93 LYS H H 93 8.172 7.882 0.290 1
1 875 . 3 1 1 A 93 93 LYS HA H 93 4.006 4.088 -0.082 1
1 878 . 3 1 1 A 93 93 LYS CA C 93 56.840 59.335 -2.495 1
1 879 . 3 1 1 A 93 93 LYS CB C 93 32.830 31.902 0.928 1
1 880 . 3 1 1 A 93 93 LYS N N 93 120.362 120.013 0.349 1
1 881 . 3 1 1 A 94 94 LEU H H 94 8.017 7.828 0.189 1
1 882 . 3 1 1 A 94 94 LEU HA H 94 3.884 4.001 -0.117 1
1 892 . 3 1 1 A 94 94 LEU CA C 94 58.234 58.055 0.179 1
1 893 . 3 1 1 A 94 94 LEU CB C 94 42.050 41.499 0.551 1
1 897 . 3 1 1 A 94 94 LEU N N 94 114.192 120.301 -6.109 1
1 898 . 3 1 1 A 95 95 ILE H H 95 8.377 7.766 0.611 1
1 899 . 3 1 1 A 95 95 ILE HA H 95 3.254 3.441 -0.187 1
1 909 . 3 1 1 A 95 95 ILE CA C 95 66.013 65.881 0.132 1
1 910 . 3 1 1 A 95 95 ILE CB C 95 38.284 37.672 0.612 1
1 914 . 3 1 1 A 95 95 ILE N N 95 118.949 119.743 -0.794 1
1 915 . 3 1 1 A 96 96 LYS H H 96 7.751 7.760 -0.009 1
1 916 . 3 1 1 A 96 96 LYS HA H 96 3.928 3.942 -0.014 1
1 925 . 3 1 1 A 96 96 LYS CA C 96 59.701 59.779 -0.078 1
1 926 . 3 1 1 A 96 96 LYS CB C 96 32.286 31.987 0.299 1
1 930 . 3 1 1 A 96 96 LYS N N 96 119.637 121.005 -1.368 1
1 931 . 3 1 1 A 97 97 LEU H H 97 8.382 7.464 0.918 1
1 932 . 3 1 1 A 97 97 LEU HA H 97 4.006 3.960 0.046 1
1 942 . 3 1 1 A 97 97 LEU CA C 97 57.363 56.634 0.729 1
1 943 . 3 1 1 A 97 97 LEU CB C 97 40.459 42.265 -1.806 1
1 947 . 3 1 1 A 97 97 LEU N N 97 117.727 120.597 -2.870 1
1 948 . 3 1 1 A 98 98 LYS H H 98 8.761 8.579 0.182 1
1 949 . 3 1 1 A 98 98 LYS HA H 98 4.548 4.175 0.373 1
1 958 . 3 1 1 A 98 98 LYS CA C 98 57.477 59.183 -1.706 1
1 959 . 3 1 1 A 98 98 LYS CB C 98 31.294 31.801 -0.507 1
1 963 . 3 1 1 A 98 98 LYS N N 98 122.255 119.892 2.363 1
1 964 . 3 1 1 A 99 99 LEU H H 99 8.798 8.087 0.711 1
1 965 . 3 1 1 A 99 99 LEU HA H 99 4.100 4.148 -0.048 1
1 975 . 3 1 1 A 99 99 LEU CA C 99 57.878 56.704 1.174 1
1 976 . 3 1 1 A 99 99 LEU CB C 99 41.605 41.508 0.097 1
1 980 . 3 1 1 A 99 99 LEU N N 99 122.214 119.649 2.565 1
1 981 . 3 1 1 A 100 100 GLN H H 100 7.749 7.601 0.148 1
1 982 . 3 1 1 A 100 100 GLN HA H 100 4.285 4.507 -0.222 1
1 989 . 3 1 1 A 100 100 GLN CA C 100 56.503 55.841 0.662 1
1 990 . 3 1 1 A 100 100 GLN CB C 100 29.576 29.547 0.029 1
1 992 . 3 1 1 A 100 100 GLN N N 100 116.914 117.757 -0.843 1
1 993 . 3 1 1 A 101 101 GLY H H 101 7.910 8.586 -0.676 1
1 994 . 3 1 1 A 101 101 GLY HA2 H 101 4.262 3.934 0.328 1
1 995 . 3 1 1 A 101 101 GLY HA3 H 101 3.661 3.965 -0.304 1
1 996 . 3 1 1 A 101 101 GLY CA C 101 44.884 46.337 -1.453 1
1 997 . 3 1 1 A 101 101 GLY N N 101 106.044 108.587 -2.543 1
1 998 . 3 1 1 A 102 102 TYR H H 102 8.078 8.050 0.028 1
1 999 . 3 1 1 A 102 102 TYR HA H 102 4.311 5.041 -0.730 1
1 1006 . 3 1 1 A 102 102 TYR CA C 102 59.253 57.091 2.162 1
1 1007 . 3 1 1 A 102 102 TYR CB C 102 37.849 42.785 -4.936 1
1 1010 . 3 1 1 A 102 102 TYR N N 102 120.876 118.447 2.429 1
1 1011 . 3 1 1 A 103 103 GLN H H 103 8.610 8.875 -0.265 1
1 1012 . 3 1 1 A 103 103 GLN HA H 103 4.280 5.241 -0.961 1
1 1015 . 3 1 1 A 103 103 GLN CA C 103 56.620 54.871 1.749 1
1 1016 . 3 1 1 A 103 103 GLN CB C 103 29.100 32.712 -3.612 1
1 1017 . 3 1 1 A 103 103 GLN N N 103 119.785 119.377 0.408 1
1 1018 . 3 1 1 A 105 105 PRO HA H 105 4.631 4.721 -0.090 1
1 1025 . 3 1 1 A 105 105 PRO CA C 105 61.602 62.169 -0.567 1
1 1026 . 3 1 1 A 105 105 PRO CB C 105 31.690 33.407 -1.717 1
1 1029 . 3 1 1 A 106 106 SER H H 106 8.485 8.778 -0.293 1
1 1030 . 3 1 1 A 106 106 SER HA H 106 4.183 4.488 -0.305 1
1 1033 . 3 1 1 A 106 106 SER CA C 106 59.525 59.085 0.440 1
1 1034 . 3 1 1 A 106 106 SER CB C 106 63.078 63.519 -0.441 1
1 1035 . 3 1 1 A 106 106 SER N N 106 112.361 115.330 -2.969 1
1 1036 . 3 1 1 A 107 107 ALA H H 107 7.410 7.618 -0.208 1
1 1037 . 3 1 1 A 107 107 ALA HA H 107 4.308 4.433 -0.125 1
1 1041 . 3 1 1 A 107 107 ALA CA C 107 50.086 50.863 -0.777 1
1 1042 . 3 1 1 A 107 107 ALA CB C 107 21.253 19.551 1.702 1
1 1043 . 3 1 1 A 107 107 ALA N N 107 121.311 125.119 -3.808 1
1 1044 . 3 1 1 A 108 108 LEU H H 108 8.915 8.563 0.352 1
1 1045 . 3 1 1 A 108 108 LEU HA H 108 4.020 4.380 -0.360 1
1 1055 . 3 1 1 A 108 108 LEU CA C 108 52.990 53.721 -0.731 1
1 1056 . 3 1 1 A 108 108 LEU CB C 108 42.041 41.421 0.620 1
1 1060 . 3 1 1 A 108 108 LEU N N 108 122.607 124.394 -1.787 1
1 1061 . 3 1 1 A 110 110 PRO HA H 110 4.024 4.297 -0.273 1
1 1068 . 3 1 1 A 110 110 PRO CA C 110 65.440 64.980 0.460 1
1 1069 . 3 1 1 A 110 110 PRO CB C 110 31.638 31.945 -0.307 1
1 1072 . 3 1 1 A 111 111 VAL H H 111 8.118 7.392 0.726 1
1 1073 . 3 1 1 A 111 111 VAL HA H 111 3.986 3.925 0.061 1
1 1081 . 3 1 1 A 111 111 VAL CA C 111 63.779 65.034 -1.255 1
1 1082 . 3 1 1 A 111 111 VAL CB C 111 31.065 31.527 -0.462 1
1 1085 . 3 1 1 A 111 111 VAL N N 111 115.605 116.247 -0.642 1
1 1086 . 3 1 1 A 112 112 MET H H 112 7.908 8.100 -0.192 1
1 1087 . 3 1 1 A 112 112 MET HA H 112 4.160 4.239 -0.079 1
1 1095 . 3 1 1 A 112 112 MET CA C 112 59.098 58.565 0.533 1
1 1096 . 3 1 1 A 112 112 MET CB C 112 34.024 33.203 0.821 1
1 1099 . 3 1 1 A 112 112 MET N N 112 118.943 117.890 1.053 1
1 1100 . 3 1 1 A 113 113 LYS H H 113 7.330 7.718 -0.388 1
1 1101 . 3 1 1 A 113 113 LYS HA H 113 4.182 4.222 -0.040 1
1 1110 . 3 1 1 A 113 113 LYS CA C 113 55.987 57.413 -1.426 1
1 1111 . 3 1 1 A 113 113 LYS CB C 113 32.841 32.102 0.739 1
1 1115 . 3 1 1 A 113 113 LYS N N 113 112.617 116.513 -3.896 1
1 1116 . 3 1 1 A 114 114 GLN H H 114 7.114 8.008 -0.894 1
1 1117 . 3 1 1 A 114 114 GLN HA H 114 4.309 4.262 0.047 1
1 1124 . 3 1 1 A 114 114 GLN CA C 114 54.956 58.037 -3.081 1
1 1125 . 3 1 1 A 114 114 GLN CB C 114 29.241 27.480 1.761 1
1 1127 . 3 1 1 A 114 114 GLN N N 114 117.852 115.818 2.034 1
1 1129 . 3 1 1 A 115 115 GLN H H 115 8.556 8.192 0.364 1
1 1130 . 3 1 1 A 115 115 GLN HA H 115 4.501 4.736 -0.235 1
1 1137 . 3 1 1 A 115 115 GLN CA C 115 53.858 53.682 0.176 1
1 1138 . 3 1 1 A 115 115 GLN CB C 115 28.234 31.054 -2.820 1
1 1140 . 3 1 1 A 115 115 GLN N N 115 123.195 117.427 5.768 1
1 1142 . 3 1 1 A 116 116 PRO HA H 116 4.530 4.575 -0.045 1
1 1149 . 3 1 1 A 116 116 PRO CA C 116 63.050 62.331 0.719 1
1 1150 . 3 1 1 A 116 116 PRO CB C 116 31.953 32.482 -0.529 1
1 1153 . 3 1 1 A 117 117 VAL H H 117 8.345 8.318 0.027 1
1 1154 . 3 1 1 A 117 117 VAL HA H 117 4.167 4.451 -0.284 1
1 1162 . 3 1 1 A 117 117 VAL CA C 117 61.258 60.222 1.036 1
1 1163 . 3 1 1 A 117 117 VAL CB C 117 33.724 33.670 0.054 1
1 1166 . 3 1 1 A 117 117 VAL N N 117 120.361 121.408 -1.047 1
1 1167 . 3 1 1 A 118 118 ALA H H 118 8.470 8.332 0.138 1
1 1168 . 3 1 1 A 118 118 ALA HA H 118 4.452 4.758 -0.306 1
1 1172 . 3 1 1 A 118 118 ALA CA C 118 51.678 50.535 1.143 1
1 1173 . 3 1 1 A 118 118 ALA CB C 118 19.260 20.495 -1.235 1
1 1174 . 3 1 1 A 118 118 ALA N N 118 128.412 130.792 -2.380 1
1 1175 . 3 1 1 A 119 119 ILE H H 119 8.250 8.746 -0.496 1
1 1176 . 3 1 1 A 119 119 ILE HA H 119 4.240 4.160 0.080 1
1 1186 . 3 1 1 A 119 119 ILE CA C 119 60.743 63.181 -2.438 1
1 1187 . 3 1 1 A 119 119 ILE CB C 119 38.914 39.025 -0.111 1
1 1191 . 3 1 1 A 119 119 ILE N N 119 120.929 126.806 -5.877 1
1 1192 . 3 1 1 A 120 120 SER H H 120 8.413 7.672 0.741 1
1 1193 . 3 1 1 A 120 120 SER HA H 120 4.543 4.662 -0.119 1
1 1196 . 3 1 1 A 120 120 SER CA C 120 57.878 57.111 0.767 1
1 1197 . 3 1 1 A 120 120 SER CB C 120 63.951 65.167 -1.216 1
1 1198 . 3 1 1 A 120 120 SER N N 120 120.494 115.609 4.885 1
1 1 . 4 1 1 A 12 12 ALA H H 12 8.223 8.753 -0.530 1
1 2 . 4 1 1 A 12 12 ALA HA H 12 4.220 4.846 -0.626 1
1 6 . 4 1 1 A 12 12 ALA CA C 12 52.323 51.067 1.256 1
1 7 . 4 1 1 A 12 12 ALA CB C 12 19.015 20.287 -1.272 1
1 8 . 4 1 1 A 12 12 ALA N N 12 124.624 123.818 0.806 1
1 9 . 4 1 1 A 13 13 GLN H H 13 8.220 8.722 -0.502 1
1 10 . 4 1 1 A 13 13 GLN HA H 13 4.292 4.843 -0.551 1
1 13 . 4 1 1 A 13 13 GLN CA C 13 55.457 55.600 -0.143 1
1 14 . 4 1 1 A 13 13 GLN CB C 13 29.804 29.246 0.558 1
1 15 . 4 1 1 A 13 13 GLN N N 13 119.119 122.409 -3.290 1
1 16 . 4 1 1 A 14 14 PHE H H 14 8.109 8.039 0.070 1
1 17 . 4 1 1 A 14 14 PHE HA H 14 4.559 5.230 -0.671 1
1 20 . 4 1 1 A 14 14 PHE CA C 14 58.250 54.487 3.763 1
1 21 . 4 1 1 A 14 14 PHE CB C 14 39.950 40.821 -0.871 1
1 22 . 4 1 1 A 14 14 PHE N N 14 121.712 121.508 0.204 1
1 23 . 4 1 1 A 15 15 PRO HA H 15 4.492 4.588 -0.096 1
1 30 . 4 1 1 A 15 15 PRO CA C 15 63.047 63.279 -0.232 1
1 31 . 4 1 1 A 15 15 PRO CB C 15 31.810 32.742 -0.932 1
1 34 . 4 1 1 A 16 16 THR H H 16 8.197 8.433 -0.236 1
1 35 . 4 1 1 A 16 16 THR HA H 16 4.614 5.057 -0.443 1
1 40 . 4 1 1 A 16 16 THR CA C 16 59.526 58.578 0.948 1
1 41 . 4 1 1 A 16 16 THR CB C 16 69.603 70.141 -0.538 1
1 43 . 4 1 1 A 16 16 THR N N 16 115.700 112.492 3.208 1
1 44 . 4 1 1 A 17 17 PRO HA H 17 4.360 4.735 -0.375 1
1 51 . 4 1 1 A 17 17 PRO CA C 17 63.321 62.369 0.952 1
1 52 . 4 1 1 A 17 17 PRO CB C 17 31.680 33.216 -1.536 1
1 55 . 4 1 1 A 18 18 PHE H H 18 8.212 8.335 -0.123 1
1 56 . 4 1 1 A 18 18 PHE HA H 18 4.589 5.447 -0.858 1
1 64 . 4 1 1 A 18 18 PHE CA C 18 57.648 55.464 2.184 1
1 65 . 4 1 1 A 18 18 PHE CB C 18 39.165 41.326 -2.161 1
1 69 . 4 1 1 A 18 18 PHE N N 18 119.185 116.320 2.865 1
1 70 . 4 1 1 A 19 19 GLY H H 19 8.250 8.617 -0.367 1
1 71 . 4 1 1 A 19 19 GLY HA2 H 19 3.943 4.105 -0.162 1
1 72 . 4 1 1 A 19 19 GLY HA3 H 19 3.935 4.174 -0.239 1
1 73 . 4 1 1 A 19 19 GLY CA C 19 45.100 45.547 -0.447 1
1 74 . 4 1 1 A 19 19 GLY N N 19 110.566 107.444 3.122 1
1 75 . 4 1 1 A 20 20 GLY H H 20 7.873 8.476 -0.603 1
1 76 . 4 1 1 A 20 20 GLY HA2 H 20 3.964 4.195 -0.231 1
1 77 . 4 1 1 A 20 20 GLY HA3 H 20 3.955 4.203 -0.248 1
1 78 . 4 1 1 A 20 20 GLY CA C 20 45.056 45.923 -0.867 1
1 79 . 4 1 1 A 20 20 GLY N N 20 108.171 111.546 -3.375 1
1 80 . 4 1 1 A 21 21 SER H H 21 8.274 8.771 -0.497 1
1 81 . 4 1 1 A 21 21 SER HA H 21 4.523 4.614 -0.091 1
1 84 . 4 1 1 A 21 21 SER CA C 21 57.951 58.801 -0.850 1
1 85 . 4 1 1 A 21 21 SER CB C 21 63.946 63.989 -0.043 1
1 86 . 4 1 1 A 21 21 SER N N 21 115.180 118.848 -3.668 1
1 87 . 4 1 1 A 22 22 LEU H H 22 8.435 7.602 0.833 1
1 88 . 4 1 1 A 22 22 LEU HA H 22 4.302 4.460 -0.158 1
1 98 . 4 1 1 A 22 22 LEU CA C 22 55.846 54.415 1.431 1
1 99 . 4 1 1 A 22 22 LEU CB C 22 42.229 42.311 -0.082 1
1 103 . 4 1 1 A 22 22 LEU N N 22 123.998 117.501 6.497 1
1 104 . 4 1 1 A 23 23 ASP H H 23 8.291 7.677 0.614 1
1 105 . 4 1 1 A 23 23 ASP HA H 23 4.494 4.958 -0.464 1
1 108 . 4 1 1 A 23 23 ASP CA C 23 54.981 53.319 1.662 1
1 109 . 4 1 1 A 23 23 ASP CB C 23 41.190 38.639 2.551 1
1 110 . 4 1 1 A 23 23 ASP N N 23 120.385 120.873 -0.488 1
1 111 . 4 1 1 A 24 24 THR H H 24 8.010 8.015 -0.005 1
1 112 . 4 1 1 A 24 24 THR HA H 24 3.770 3.833 -0.063 1
1 117 . 4 1 1 A 24 24 THR CA C 24 64.590 66.049 -1.459 1
1 118 . 4 1 1 A 24 24 THR CB C 24 69.620 68.903 0.717 1
1 120 . 4 1 1 A 24 24 THR N N 24 117.799 116.193 1.606 1
1 121 . 4 1 1 A 25 25 TRP H H 25 7.780 7.672 0.108 1
1 122 . 4 1 1 A 25 25 TRP HA H 25 4.012 4.438 -0.426 1
1 131 . 4 1 1 A 25 25 TRP CA C 25 57.837 59.050 -1.213 1
1 132 . 4 1 1 A 25 25 TRP CB C 25 28.842 29.830 -0.988 1
1 138 . 4 1 1 A 25 25 TRP N N 25 118.659 118.515 0.144 1
1 140 . 4 1 1 A 26 26 ALA H H 26 7.101 7.542 -0.441 1
1 141 . 4 1 1 A 26 26 ALA HA H 26 3.949 4.322 -0.373 1
1 145 . 4 1 1 A 26 26 ALA CA C 26 52.102 52.999 -0.897 1
1 146 . 4 1 1 A 26 26 ALA CB C 26 18.840 19.421 -0.581 1
1 147 . 4 1 1 A 26 26 ALA N N 26 117.054 121.713 -4.659 1
1 148 . 4 1 1 A 27 27 ILE H H 27 8.687 8.749 -0.062 1
1 149 . 4 1 1 A 27 27 ILE HA H 27 4.332 4.380 -0.048 1
1 159 . 4 1 1 A 27 27 ILE CA C 27 61.430 61.051 0.379 1
1 160 . 4 1 1 A 27 27 ILE CB C 27 38.550 37.238 1.312 1
1 164 . 4 1 1 A 27 27 ILE N N 27 125.107 123.893 1.214 1
1 165 . 4 1 1 A 28 28 THR H H 28 8.981 8.068 0.913 1
1 166 . 4 1 1 A 28 28 THR HA H 28 4.760 4.581 0.179 1
1 171 . 4 1 1 A 28 28 THR CA C 28 60.685 62.087 -1.402 1
1 172 . 4 1 1 A 28 28 THR CB C 28 71.252 69.677 1.575 1
1 174 . 4 1 1 A 28 28 THR N N 28 118.938 123.634 -4.696 1
1 175 . 4 1 1 A 29 29 VAL H H 29 8.612 8.879 -0.267 1
1 176 . 4 1 1 A 29 29 VAL HA H 29 3.532 3.688 -0.156 1
1 184 . 4 1 1 A 29 29 VAL CA C 29 66.349 67.156 -0.807 1
1 185 . 4 1 1 A 29 29 VAL CB C 29 31.799 31.723 0.076 1
1 188 . 4 1 1 A 29 29 VAL N N 29 119.411 123.438 -4.027 1
1 189 . 4 1 1 A 30 30 GLU H H 30 8.432 8.433 -0.001 1
1 190 . 4 1 1 A 30 30 GLU HA H 30 4.011 3.941 0.070 1
1 195 . 4 1 1 A 30 30 GLU CA C 30 59.597 59.766 -0.169 1
1 196 . 4 1 1 A 30 30 GLU CB C 30 28.912 29.607 -0.695 1
1 198 . 4 1 1 A 30 30 GLU N N 30 119.890 118.686 1.204 1
1 199 . 4 1 1 A 31 31 GLU H H 31 7.737 8.238 -0.501 1
1 200 . 4 1 1 A 31 31 GLU HA H 31 3.604 4.136 -0.532 1
1 205 . 4 1 1 A 31 31 GLU CA C 31 58.718 59.035 -0.317 1
1 206 . 4 1 1 A 31 31 GLU CB C 31 30.666 29.217 1.449 1
1 208 . 4 1 1 A 31 31 GLU N N 31 120.821 120.005 0.816 1
1 209 . 4 1 1 A 32 32 ARG H H 32 8.382 8.218 0.164 1
1 210 . 4 1 1 A 32 32 ARG HA H 32 3.998 4.150 -0.152 1
1 213 . 4 1 1 A 32 32 ARG CA C 32 57.356 59.077 -1.721 1
1 214 . 4 1 1 A 32 32 ARG CB C 32 28.870 30.024 -1.154 1
1 215 . 4 1 1 A 32 32 ARG N N 32 117.523 120.855 -3.332 1
1 216 . 4 1 1 A 33 33 ALA H H 33 7.919 8.362 -0.443 1
1 217 . 4 1 1 A 33 33 ALA HA H 33 4.248 4.116 0.132 1
1 221 . 4 1 1 A 33 33 ALA CA C 33 55.007 54.534 0.473 1
1 222 . 4 1 1 A 33 33 ALA CB C 33 17.601 18.492 -0.891 1
1 223 . 4 1 1 A 33 33 ALA N N 33 119.982 120.641 -0.659 1
1 224 . 4 1 1 A 34 34 LYS H H 34 7.212 8.315 -1.103 1
1 225 . 4 1 1 A 34 34 LYS HA H 34 4.194 4.159 0.035 1
1 234 . 4 1 1 A 34 34 LYS CA C 34 58.852 58.836 0.016 1
1 235 . 4 1 1 A 34 34 LYS CB C 34 31.598 31.852 -0.254 1
1 239 . 4 1 1 A 34 34 LYS N N 34 119.567 116.967 2.600 1
1 240 . 4 1 1 A 35 35 HIS H H 35 8.814 8.370 0.444 1
1 241 . 4 1 1 A 35 35 HIS HA H 35 4.923 4.345 0.578 1
1 244 . 4 1 1 A 35 35 HIS CA C 35 57.821 59.136 -1.315 1
1 245 . 4 1 1 A 35 35 HIS CB C 35 29.950 28.616 1.334 1
1 246 . 4 1 1 A 35 35 HIS N N 35 122.252 117.393 4.859 1
1 247 . 4 1 1 A 36 36 ASP H H 36 9.292 7.965 1.327 1
1 248 . 4 1 1 A 36 36 ASP HA H 36 4.454 3.935 0.519 1
1 251 . 4 1 1 A 36 36 ASP CA C 36 57.305 57.428 -0.123 1
1 252 . 4 1 1 A 36 36 ASP CB C 36 39.889 41.206 -1.317 1
1 253 . 4 1 1 A 36 36 ASP N N 36 118.831 122.128 -3.297 1
1 254 . 4 1 1 A 37 37 GLN H H 37 7.673 7.856 -0.183 1
1 255 . 4 1 1 A 37 37 GLN HA H 37 4.241 3.983 0.258 1
1 262 . 4 1 1 A 37 37 GLN CA C 37 59.019 59.378 -0.359 1
1 263 . 4 1 1 A 37 37 GLN CB C 37 28.315 28.285 0.030 1
1 265 . 4 1 1 A 37 37 GLN N N 37 120.072 119.252 0.820 1
1 266 . 4 1 1 A 38 38 GLN H H 38 8.329 8.324 0.005 1
1 267 . 4 1 1 A 38 38 GLN HA H 38 4.040 4.143 -0.103 1
1 274 . 4 1 1 A 38 38 GLN CA C 38 58.734 58.926 -0.192 1
1 275 . 4 1 1 A 38 38 GLN CB C 38 28.549 28.293 0.256 1
1 277 . 4 1 1 A 38 38 GLN N N 38 120.847 118.650 2.197 1
1 279 . 4 1 1 A 39 39 PHE H H 39 9.453 8.454 0.999 1
1 280 . 4 1 1 A 39 39 PHE HA H 39 2.811 4.300 -1.489 1
1 286 . 4 1 1 A 39 39 PHE CA C 39 61.602 61.475 0.127 1
1 287 . 4 1 1 A 39 39 PHE CB C 39 38.799 39.019 -0.220 1
1 291 . 4 1 1 A 39 39 PHE N N 39 123.507 122.285 1.222 1
1 292 . 4 1 1 A 40 40 HIS H H 40 8.096 8.357 -0.261 1
1 293 . 4 1 1 A 40 40 HIS HA H 40 3.884 4.259 -0.375 1
1 297 . 4 1 1 A 40 40 HIS CA C 40 59.910 60.007 -0.097 1
1 298 . 4 1 1 A 40 40 HIS CB C 40 29.558 29.637 -0.079 1
1 300 . 4 1 1 A 40 40 HIS N N 40 114.319 117.594 -3.275 1
1 301 . 4 1 1 A 41 41 SER H H 41 7.818 7.988 -0.170 1
1 302 . 4 1 1 A 41 41 SER HA H 41 4.300 4.309 -0.009 1
1 305 . 4 1 1 A 41 41 SER CA C 41 60.851 60.903 -0.052 1
1 306 . 4 1 1 A 41 41 SER CB C 41 62.612 63.188 -0.576 1
1 307 . 4 1 1 A 41 41 SER N N 41 116.677 114.334 2.343 1
1 308 . 4 1 1 A 42 42 LEU H H 42 7.079 7.458 -0.379 1
1 309 . 4 1 1 A 42 42 LEU HA H 42 4.071 4.489 -0.418 1
1 319 . 4 1 1 A 42 42 LEU CA C 42 54.685 56.151 -1.466 1
1 320 . 4 1 1 A 42 42 LEU CB C 42 40.874 42.718 -1.844 1
1 324 . 4 1 1 A 42 42 LEU N N 42 121.868 121.934 -0.066 1
1 325 . 4 1 1 A 43 43 LYS H H 43 7.345 7.877 -0.532 1
1 326 . 4 1 1 A 43 43 LYS HA H 43 3.877 3.916 -0.039 1
1 335 . 4 1 1 A 43 43 LYS CA C 43 56.035 56.627 -0.592 1
1 336 . 4 1 1 A 43 43 LYS CB C 43 28.886 30.560 -1.674 1
1 340 . 4 1 1 A 43 43 LYS N N 43 110.393 117.459 -7.066 1
1 341 . 4 1 1 A 44 44 PRO HA H 44 4.239 4.392 -0.153 1
1 348 . 4 1 1 A 44 44 PRO CA C 44 62.424 62.450 -0.026 1
1 349 . 4 1 1 A 44 44 PRO CB C 44 32.413 32.775 -0.362 1
1 352 . 4 1 1 A 45 45 ILE H H 45 8.586 8.668 -0.082 1
1 353 . 4 1 1 A 45 45 ILE HA H 45 4.337 4.542 -0.205 1
1 363 . 4 1 1 A 45 45 ILE CA C 45 60.170 60.050 0.120 1
1 364 . 4 1 1 A 45 45 ILE CB C 45 39.143 39.574 -0.431 1
1 368 . 4 1 1 A 45 45 ILE N N 45 120.985 122.354 -1.369 1
1 369 . 4 1 1 A 46 46 SER H H 46 9.512 9.359 0.153 1
1 370 . 4 1 1 A 46 46 SER HA H 46 4.055 4.257 -0.202 1
1 373 . 4 1 1 A 46 46 SER CA C 46 58.483 59.566 -1.083 1
1 374 . 4 1 1 A 46 46 SER CB C 46 62.174 61.916 0.258 1
1 375 . 4 1 1 A 46 46 SER N N 46 124.158 124.708 -0.550 1
1 376 . 4 1 1 A 47 47 GLY H H 47 8.555 8.693 -0.138 1
1 377 . 4 1 1 A 47 47 GLY HA2 H 47 4.020 3.969 0.051 1
1 378 . 4 1 1 A 47 47 GLY HA3 H 47 3.531 4.056 -0.525 1
1 379 . 4 1 1 A 47 47 GLY CA C 47 44.328 46.564 -2.236 1
1 380 . 4 1 1 A 47 47 GLY N N 47 162.194 106.033 56.161 1
1 381 . 4 1 1 A 48 48 PHE H H 48 7.710 7.805 -0.095 1
1 382 . 4 1 1 A 48 48 PHE HA H 48 5.783 5.166 0.617 1
1 387 . 4 1 1 A 48 48 PHE CA C 48 56.732 57.548 -0.816 1
1 388 . 4 1 1 A 48 48 PHE CB C 48 43.784 42.986 0.798 1
1 391 . 4 1 1 A 48 48 PHE N N 48 115.641 118.662 -3.021 1
1 392 . 4 1 1 A 49 49 ILE H H 49 9.141 8.351 0.790 1
1 393 . 4 1 1 A 49 49 ILE HA H 49 4.908 4.543 0.365 1
1 403 . 4 1 1 A 49 49 ILE CA C 49 59.368 58.358 1.010 1
1 404 . 4 1 1 A 49 49 ILE CB C 49 39.945 40.559 -0.614 1
1 408 . 4 1 1 A 49 49 ILE N N 49 114.692 120.076 -5.384 1
1 409 . 4 1 1 A 50 50 THR H H 50 8.700 7.852 0.848 1
1 410 . 4 1 1 A 50 50 THR HA H 50 4.473 4.386 0.087 1
1 415 . 4 1 1 A 50 50 THR CA C 50 60.914 60.691 0.223 1
1 416 . 4 1 1 A 50 50 THR CB C 50 70.829 72.680 -1.851 1
1 418 . 4 1 1 A 50 50 THR N N 50 112.658 113.523 -0.865 1
1 419 . 4 1 1 A 51 51 GLY H H 51 8.778 8.972 -0.194 1
1 420 . 4 1 1 A 51 51 GLY HA2 H 51 3.790 3.302 0.488 1
1 421 . 4 1 1 A 51 51 GLY HA3 H 51 3.713 3.416 0.297 1
1 422 . 4 1 1 A 51 51 GLY CA C 51 48.310 47.134 1.176 1
1 423 . 4 1 1 A 51 51 GLY N N 51 108.204 111.457 -3.253 1
1 424 . 4 1 1 A 52 52 ASP H H 52 8.225 7.763 0.462 1
1 425 . 4 1 1 A 52 52 ASP HA H 52 4.216 4.115 0.101 1
1 428 . 4 1 1 A 52 52 ASP CA C 52 57.344 56.673 0.671 1
1 429 . 4 1 1 A 52 52 ASP CB C 52 40.304 40.177 0.127 1
1 430 . 4 1 1 A 52 52 ASP N N 52 119.404 121.198 -1.794 1
1 431 . 4 1 1 A 53 53 GLN H H 53 7.810 7.676 0.134 1
1 432 . 4 1 1 A 53 53 GLN HA H 53 3.969 3.915 0.054 1
1 439 . 4 1 1 A 53 53 GLN CA C 53 58.673 58.599 0.074 1
1 440 . 4 1 1 A 53 53 GLN CB C 53 29.794 28.135 1.659 1
1 442 . 4 1 1 A 53 53 GLN N N 53 118.935 118.380 0.555 1
1 444 . 4 1 1 A 54 54 ALA H H 54 8.293 8.007 0.286 1
1 445 . 4 1 1 A 54 54 ALA HA H 54 3.642 3.781 -0.139 1
1 449 . 4 1 1 A 54 54 ALA CA C 54 55.243 55.039 0.204 1
1 450 . 4 1 1 A 54 54 ALA CB C 54 19.448 18.012 1.436 1
1 451 . 4 1 1 A 54 54 ALA N N 54 120.858 122.455 -1.597 1
1 452 . 4 1 1 A 55 55 ARG H H 55 8.744 7.753 0.991 1
1 453 . 4 1 1 A 55 55 ARG HA H 55 3.795 3.974 -0.179 1
1 460 . 4 1 1 A 55 55 ARG CA C 55 60.628 59.550 1.078 1
1 461 . 4 1 1 A 55 55 ARG CB C 55 30.224 29.998 0.226 1
1 464 . 4 1 1 A 55 55 ARG N N 55 115.211 117.594 -2.383 1
1 465 . 4 1 1 A 56 56 ASN H H 56 8.056 8.104 -0.048 1
1 466 . 4 1 1 A 56 56 ASN HA H 56 4.470 4.374 0.096 1
1 471 . 4 1 1 A 56 56 ASN CA C 56 56.091 56.185 -0.094 1
1 472 . 4 1 1 A 56 56 ASN CB C 56 38.069 39.428 -1.359 1
1 473 . 4 1 1 A 56 56 ASN N N 56 116.543 118.233 -1.690 1
1 475 . 4 1 1 A 57 57 PHE H H 57 7.567 7.765 -0.198 1
1 476 . 4 1 1 A 57 57 PHE HA H 57 4.517 4.258 0.259 1
1 481 . 4 1 1 A 57 57 PHE CA C 57 61.373 61.356 0.017 1
1 482 . 4 1 1 A 57 57 PHE CB C 57 39.518 38.950 0.568 1
1 485 . 4 1 1 A 57 57 PHE N N 57 121.111 120.046 1.065 1
1 486 . 4 1 1 A 58 58 PHE H H 58 8.995 7.878 1.117 1
1 487 . 4 1 1 A 58 58 PHE HA H 58 4.501 4.350 0.151 1
1 491 . 4 1 1 A 58 58 PHE CA C 58 57.190 61.613 -4.423 1
1 492 . 4 1 1 A 58 58 PHE CB C 58 37.236 38.148 -0.912 1
1 494 . 4 1 1 A 58 58 PHE N N 58 119.594 117.915 1.679 1
1 495 . 4 1 1 A 59 59 PHE H H 59 8.510 8.818 -0.308 1
1 496 . 4 1 1 A 59 59 PHE HA H 59 4.296 4.136 0.160 1
1 500 . 4 1 1 A 59 59 PHE CA C 59 60.456 61.556 -1.100 1
1 501 . 4 1 1 A 59 59 PHE CB C 59 38.914 39.053 -0.139 1
1 503 . 4 1 1 A 59 59 PHE N N 59 120.834 119.811 1.023 1
1 504 . 4 1 1 A 60 60 GLN H H 60 7.652 8.031 -0.379 1
1 505 . 4 1 1 A 60 60 GLN HA H 60 4.056 4.051 0.005 1
1 512 . 4 1 1 A 60 60 GLN CA C 60 57.133 57.580 -0.447 1
1 513 . 4 1 1 A 60 60 GLN CB C 60 27.771 28.187 -0.416 1
1 515 . 4 1 1 A 60 60 GLN N N 60 116.464 117.593 -1.129 1
1 517 . 4 1 1 A 61 61 SER H H 61 7.823 7.517 0.306 1
1 518 . 4 1 1 A 61 61 SER HA H 61 3.985 4.425 -0.440 1
1 521 . 4 1 1 A 61 61 SER CA C 61 60.571 58.477 2.094 1
1 522 . 4 1 1 A 61 61 SER CB C 61 65.277 63.991 1.286 1
1 523 . 4 1 1 A 61 61 SER N N 61 113.448 112.081 1.367 1
1 524 . 4 1 1 A 62 62 GLY H H 62 7.478 7.843 -0.365 1
1 525 . 4 1 1 A 62 62 GLY HA2 H 62 4.115 3.793 0.322 1
1 526 . 4 1 1 A 62 62 GLY HA3 H 62 3.699 3.867 -0.168 1
1 527 . 4 1 1 A 62 62 GLY CA C 62 45.445 45.438 0.007 1
1 528 . 4 1 1 A 62 62 GLY N N 62 108.189 109.954 -1.765 1
1 529 . 4 1 1 A 63 63 LEU H H 63 7.282 7.373 -0.091 1
1 530 . 4 1 1 A 63 63 LEU HA H 63 4.471 4.728 -0.257 1
1 540 . 4 1 1 A 63 63 LEU CA C 63 52.971 51.616 1.355 1
1 541 . 4 1 1 A 63 63 LEU CB C 63 41.597 43.133 -1.536 1
1 545 . 4 1 1 A 63 63 LEU N N 63 120.356 121.595 -1.239 1
1 546 . 4 1 1 A 64 64 PRO HA H 64 4.559 4.753 -0.194 1
1 553 . 4 1 1 A 64 64 PRO CA C 64 63.039 62.175 0.864 1
1 554 . 4 1 1 A 64 64 PRO CB C 64 33.402 32.764 0.638 1
1 557 . 4 1 1 A 65 65 GLN H H 65 9.289 8.730 0.559 1
1 558 . 4 1 1 A 65 65 GLN HA H 65 4.194 4.115 0.079 1
1 563 . 4 1 1 A 65 65 GLN CA C 65 61.180 60.316 0.864 1
1 564 . 4 1 1 A 65 65 GLN CB C 65 25.845 27.896 -2.051 1
1 566 . 4 1 1 A 65 65 GLN N N 65 122.729 122.279 0.450 1
1 567 . 4 1 1 A 66 66 PRO HA H 66 4.399 4.391 0.008 1
1 574 . 4 1 1 A 66 66 PRO CA C 66 65.956 65.727 0.229 1
1 575 . 4 1 1 A 66 66 PRO CB C 66 30.665 30.946 -0.281 1
1 578 . 4 1 1 A 67 67 VAL H H 67 6.875 7.036 -0.161 1
1 579 . 4 1 1 A 67 67 VAL HA H 67 3.930 3.808 0.122 1
1 587 . 4 1 1 A 67 67 VAL CA C 67 64.811 65.236 -0.425 1
1 588 . 4 1 1 A 67 67 VAL CB C 67 31.581 31.492 0.089 1
1 591 . 4 1 1 A 67 67 VAL N N 67 117.350 116.621 0.729 1
1 592 . 4 1 1 A 68 68 LEU H H 68 7.965 8.296 -0.331 1
1 593 . 4 1 1 A 68 68 LEU HA H 68 3.955 4.068 -0.113 1
1 603 . 4 1 1 A 68 68 LEU CA C 68 57.878 57.976 -0.098 1
1 604 . 4 1 1 A 68 68 LEU CB C 68 40.821 42.132 -1.311 1
1 608 . 4 1 1 A 68 68 LEU N N 68 119.980 119.972 0.008 1
1 609 . 4 1 1 A 69 69 ALA H H 69 8.577 8.928 -0.351 1
1 610 . 4 1 1 A 69 69 ALA HA H 69 4.375 4.307 0.068 1
1 614 . 4 1 1 A 69 69 ALA CA C 69 55.128 55.485 -0.357 1
1 615 . 4 1 1 A 69 69 ALA CB C 69 17.533 18.267 -0.734 1
1 616 . 4 1 1 A 69 69 ALA N N 69 122.731 120.783 1.948 1
1 617 . 4 1 1 A 70 70 GLN H H 70 7.534 7.806 -0.272 1
1 618 . 4 1 1 A 70 70 GLN HA H 70 4.190 4.049 0.141 1
1 625 . 4 1 1 A 70 70 GLN CA C 70 58.623 59.091 -0.468 1
1 626 . 4 1 1 A 70 70 GLN CB C 70 28.349 28.843 -0.494 1
1 628 . 4 1 1 A 70 70 GLN N N 70 120.846 117.815 3.031 1
1 630 . 4 1 1 A 71 71 ILE H H 71 8.170 7.899 0.271 1
1 631 . 4 1 1 A 71 71 ILE HA H 71 3.455 3.710 -0.255 1
1 641 . 4 1 1 A 71 71 ILE CA C 71 66.530 64.928 1.602 1
1 642 . 4 1 1 A 71 71 ILE CB C 71 37.768 37.423 0.345 1
1 646 . 4 1 1 A 71 71 ILE N N 71 120.351 119.875 0.476 1
1 647 . 4 1 1 A 72 72 TRP H H 72 8.473 8.503 -0.030 1
1 648 . 4 1 1 A 72 72 TRP HA H 72 3.845 4.422 -0.577 1
1 657 . 4 1 1 A 72 72 TRP CA C 72 61.144 61.397 -0.253 1
1 658 . 4 1 1 A 72 72 TRP CB C 72 28.496 29.924 -1.428 1
1 664 . 4 1 1 A 72 72 TRP N N 72 119.417 122.133 -2.716 1
1 666 . 4 1 1 A 73 73 ALA H H 73 7.647 8.597 -0.950 1
1 667 . 4 1 1 A 73 73 ALA HA H 73 4.012 3.820 0.192 1
1 671 . 4 1 1 A 73 73 ALA CA C 73 54.154 54.108 0.046 1
1 672 . 4 1 1 A 73 73 ALA CB C 73 18.059 18.385 -0.326 1
1 673 . 4 1 1 A 73 73 ALA N N 73 116.148 121.023 -4.875 1
1 674 . 4 1 1 A 74 74 LEU H H 74 7.493 7.835 -0.342 1
1 675 . 4 1 1 A 74 74 LEU HA H 74 3.947 4.084 -0.137 1
1 685 . 4 1 1 A 74 74 LEU CA C 74 56.478 57.505 -1.027 1
1 686 . 4 1 1 A 74 74 LEU CB C 74 43.726 41.722 2.004 1
1 690 . 4 1 1 A 74 74 LEU N N 74 115.647 117.389 -1.742 1
1 691 . 4 1 1 A 75 75 ALA H H 75 7.952 7.829 0.123 1
1 692 . 4 1 1 A 75 75 ALA HA H 75 4.019 4.182 -0.163 1
1 696 . 4 1 1 A 75 75 ALA CA C 75 53.982 55.221 -1.239 1
1 697 . 4 1 1 A 75 75 ALA CB C 75 19.913 18.574 1.339 1
1 698 . 4 1 1 A 75 75 ALA N N 75 118.000 120.692 -2.692 1
1 699 . 4 1 1 A 76 76 ASP H H 76 7.798 7.881 -0.083 1
1 700 . 4 1 1 A 76 76 ASP HA H 76 4.587 4.706 -0.119 1
1 703 . 4 1 1 A 76 76 ASP CA C 76 51.849 53.545 -1.696 1
1 704 . 4 1 1 A 76 76 ASP CB C 76 36.265 40.032 -3.767 1
1 705 . 4 1 1 A 76 76 ASP N N 76 114.297 115.012 -0.715 1
1 706 . 4 1 1 A 77 77 MET H H 77 8.077 8.404 -0.327 1
1 707 . 4 1 1 A 77 77 MET HA H 77 3.867 4.100 -0.233 1
1 715 . 4 1 1 A 77 77 MET CA C 77 59.024 58.046 0.978 1
1 716 . 4 1 1 A 77 77 MET CB C 77 34.550 32.005 2.545 1
1 719 . 4 1 1 A 77 77 MET N N 77 123.959 121.369 2.590 1
1 720 . 4 1 1 A 78 78 ASN H H 78 7.801 8.004 -0.203 1
1 721 . 4 1 1 A 78 78 ASN HA H 78 4.839 4.674 0.165 1
1 726 . 4 1 1 A 78 78 ASN CA C 78 50.889 52.624 -1.735 1
1 727 . 4 1 1 A 78 78 ASN CB C 78 37.028 38.122 -1.094 1
1 728 . 4 1 1 A 78 78 ASN N N 78 112.247 114.626 -2.379 1
1 730 . 4 1 1 A 79 79 ASN H H 79 8.019 8.452 -0.433 1
1 731 . 4 1 1 A 79 79 ASN HA H 79 4.380 4.321 0.059 1
1 736 . 4 1 1 A 79 79 ASN CA C 79 54.319 53.891 0.428 1
1 737 . 4 1 1 A 79 79 ASN CB C 79 37.867 36.734 1.133 1
1 738 . 4 1 1 A 79 79 ASN N N 79 116.050 117.416 -1.366 1
1 740 . 4 1 1 A 80 80 ASP H H 80 8.019 8.066 -0.047 1
1 741 . 4 1 1 A 80 80 ASP HA H 80 4.784 4.614 0.170 1
1 744 . 4 1 1 A 80 80 ASP CA C 80 52.672 54.657 -1.985 1
1 745 . 4 1 1 A 80 80 ASP CB C 80 41.585 41.703 -0.118 1
1 746 . 4 1 1 A 80 80 ASP N N 80 115.620 123.487 -7.867 1
1 747 . 4 1 1 A 81 81 GLY H H 81 10.345 7.902 2.443 1
1 748 . 4 1 1 A 81 81 GLY HA2 H 81 4.339 4.084 0.255 1
1 749 . 4 1 1 A 81 81 GLY HA3 H 81 4.044 4.231 -0.187 1
1 750 . 4 1 1 A 81 81 GLY CA C 81 46.560 45.983 0.577 1
1 751 . 4 1 1 A 81 81 GLY N N 81 112.191 107.001 5.190 1
1 752 . 4 1 1 A 82 82 ARG H H 82 8.365 8.371 -0.006 1
1 753 . 4 1 1 A 82 82 ARG HA H 82 5.105 4.591 0.514 1
1 760 . 4 1 1 A 82 82 ARG CA C 82 53.982 56.133 -2.151 1
1 761 . 4 1 1 A 82 82 ARG CB C 82 33.303 32.681 0.622 1
1 764 . 4 1 1 A 82 82 ARG N N 82 117.518 118.499 -0.981 1
1 765 . 4 1 1 A 83 83 MET H H 83 9.038 8.266 0.772 1
1 766 . 4 1 1 A 83 83 MET HA H 83 6.142 4.458 1.684 1
1 774 . 4 1 1 A 83 83 MET CA C 83 55.586 56.392 -0.806 1
1 775 . 4 1 1 A 83 83 MET CB C 83 38.610 31.575 7.035 1
1 778 . 4 1 1 A 83 83 MET N N 83 120.510 119.031 1.479 1
1 779 . 4 1 1 A 84 84 ASP H H 84 7.586 9.282 -1.696 1
1 780 . 4 1 1 A 84 84 ASP HA H 84 5.259 5.114 0.145 1
1 783 . 4 1 1 A 84 84 ASP CA C 84 51.182 52.723 -1.541 1
1 784 . 4 1 1 A 84 84 ASP CB C 84 42.047 43.022 -0.975 1
1 785 . 4 1 1 A 84 84 ASP N N 84 122.321 125.765 -3.444 1
1 786 . 4 1 1 A 85 85 GLN H H 85 7.988 8.654 -0.666 1
1 787 . 4 1 1 A 85 85 GLN HA H 85 2.609 4.220 -1.611 1
1 794 . 4 1 1 A 85 85 GLN CA C 85 58.909 58.732 0.177 1
1 795 . 4 1 1 A 85 85 GLN CB C 85 29.346 28.075 1.271 1
1 797 . 4 1 1 A 85 85 GLN N N 85 115.617 122.953 -7.336 1
1 799 . 4 1 1 A 86 86 VAL H H 86 7.357 8.009 -0.652 1
1 800 . 4 1 1 A 86 86 VAL HA H 86 3.557 3.451 0.106 1
1 808 . 4 1 1 A 86 86 VAL CA C 86 66.117 66.651 -0.534 1
1 809 . 4 1 1 A 86 86 VAL CB C 86 31.538 31.706 -0.168 1
1 812 . 4 1 1 A 86 86 VAL N N 86 120.551 121.138 -0.587 1
1 813 . 4 1 1 A 87 87 GLU H H 87 8.375 8.231 0.144 1
1 814 . 4 1 1 A 87 87 GLU HA H 87 3.908 4.132 -0.224 1
1 819 . 4 1 1 A 87 87 GLU CA C 87 59.424 59.448 -0.024 1
1 820 . 4 1 1 A 87 87 GLU CB C 87 31.466 29.547 1.919 1
1 822 . 4 1 1 A 87 87 GLU N N 87 119.417 119.541 -0.124 1
1 823 . 4 1 1 A 88 88 PHE H H 88 8.482 8.669 -0.187 1
1 824 . 4 1 1 A 88 88 PHE HA H 88 4.427 4.297 0.130 1
1 828 . 4 1 1 A 88 88 PHE CA C 88 62.061 61.169 0.892 1
1 829 . 4 1 1 A 88 88 PHE CB C 88 40.726 39.398 1.328 1
1 831 . 4 1 1 A 88 88 PHE N N 88 117.094 122.681 -5.587 1
1 832 . 4 1 1 A 89 89 SER H H 89 7.490 8.014 -0.524 1
1 833 . 4 1 1 A 89 89 SER HA H 89 4.763 4.310 0.453 1
1 836 . 4 1 1 A 89 89 SER CA C 89 59.783 61.951 -2.168 1
1 837 . 4 1 1 A 89 89 SER CB C 89 59.544 63.116 -3.572 1
1 838 . 4 1 1 A 89 89 SER N N 89 113.424 115.323 -1.899 1
1 839 . 4 1 1 A 90 90 ILE H H 90 8.034 7.841 0.193 1
1 840 . 4 1 1 A 90 90 ILE HA H 90 3.506 3.842 -0.336 1
1 850 . 4 1 1 A 90 90 ILE CA C 90 66.098 63.463 2.635 1
1 851 . 4 1 1 A 90 90 ILE CB C 90 37.905 37.538 0.367 1
1 855 . 4 1 1 A 90 90 ILE N N 90 118.472 120.942 -2.470 1
1 856 . 4 1 1 A 91 91 ALA H H 91 8.197 7.851 0.346 1
1 857 . 4 1 1 A 91 91 ALA HA H 91 4.286 4.035 0.251 1
1 861 . 4 1 1 A 91 91 ALA CA C 91 52.435 55.210 -2.775 1
1 862 . 4 1 1 A 91 91 ALA CB C 91 19.091 17.989 1.102 1
1 863 . 4 1 1 A 91 91 ALA N N 91 119.275 123.820 -4.545 1
1 864 . 4 1 1 A 92 92 MET H H 92 8.183 7.393 0.790 1
1 865 . 4 1 1 A 92 92 MET HA H 92 4.268 4.332 -0.064 1
1 870 . 4 1 1 A 92 92 MET CA C 92 55.643 56.403 -0.760 1
1 871 . 4 1 1 A 92 92 MET CB C 92 29.521 31.452 -1.931 1
1 873 . 4 1 1 A 92 92 MET N N 92 118.681 116.089 2.592 1
1 874 . 4 1 1 A 93 93 LYS H H 93 8.172 7.475 0.697 1
1 875 . 4 1 1 A 93 93 LYS HA H 93 4.006 4.154 -0.148 1
1 878 . 4 1 1 A 93 93 LYS CA C 93 56.840 58.897 -2.057 1
1 879 . 4 1 1 A 93 93 LYS CB C 93 32.830 32.274 0.556 1
1 880 . 4 1 1 A 93 93 LYS N N 93 120.362 120.693 -0.331 1
1 881 . 4 1 1 A 94 94 LEU H H 94 8.017 7.651 0.366 1
1 882 . 4 1 1 A 94 94 LEU HA H 94 3.884 4.022 -0.138 1
1 892 . 4 1 1 A 94 94 LEU CA C 94 58.234 58.204 0.030 1
1 893 . 4 1 1 A 94 94 LEU CB C 94 42.050 41.426 0.624 1
1 897 . 4 1 1 A 94 94 LEU N N 94 114.192 119.820 -5.628 1
1 898 . 4 1 1 A 95 95 ILE H H 95 8.377 7.690 0.687 1
1 899 . 4 1 1 A 95 95 ILE HA H 95 3.254 3.442 -0.188 1
1 909 . 4 1 1 A 95 95 ILE CA C 95 66.013 65.546 0.467 1
1 910 . 4 1 1 A 95 95 ILE CB C 95 38.284 37.748 0.536 1
1 914 . 4 1 1 A 95 95 ILE N N 95 118.949 119.780 -0.831 1
1 915 . 4 1 1 A 96 96 LYS H H 96 7.751 7.592 0.159 1
1 916 . 4 1 1 A 96 96 LYS HA H 96 3.928 3.997 -0.069 1
1 925 . 4 1 1 A 96 96 LYS CA C 96 59.701 59.795 -0.094 1
1 926 . 4 1 1 A 96 96 LYS CB C 96 32.286 32.127 0.159 1
1 930 . 4 1 1 A 96 96 LYS N N 96 119.637 119.631 0.006 1
1 931 . 4 1 1 A 97 97 LEU H H 97 8.382 7.976 0.406 1
1 932 . 4 1 1 A 97 97 LEU HA H 97 4.006 4.041 -0.035 1
1 942 . 4 1 1 A 97 97 LEU CA C 97 57.363 57.876 -0.513 1
1 943 . 4 1 1 A 97 97 LEU CB C 97 40.459 41.200 -0.741 1
1 947 . 4 1 1 A 97 97 LEU N N 97 117.727 119.949 -2.222 1
1 948 . 4 1 1 A 98 98 LYS H H 98 8.761 8.439 0.322 1
1 949 . 4 1 1 A 98 98 LYS HA H 98 4.548 4.648 -0.100 1
1 958 . 4 1 1 A 98 98 LYS CA C 98 57.477 59.520 -2.043 1
1 959 . 4 1 1 A 98 98 LYS CB C 98 31.294 31.852 -0.558 1
1 963 . 4 1 1 A 98 98 LYS N N 98 122.255 120.687 1.568 1
1 964 . 4 1 1 A 99 99 LEU H H 99 8.798 8.419 0.379 1
1 965 . 4 1 1 A 99 99 LEU HA H 99 4.100 4.025 0.075 1
1 975 . 4 1 1 A 99 99 LEU CA C 99 57.878 57.251 0.627 1
1 976 . 4 1 1 A 99 99 LEU CB C 99 41.605 41.335 0.270 1
1 980 . 4 1 1 A 99 99 LEU N N 99 122.214 119.465 2.749 1
1 981 . 4 1 1 A 100 100 GLN H H 100 7.749 7.521 0.228 1
1 982 . 4 1 1 A 100 100 GLN HA H 100 4.285 4.183 0.102 1
1 989 . 4 1 1 A 100 100 GLN CA C 100 56.503 55.063 1.440 1
1 990 . 4 1 1 A 100 100 GLN CB C 100 29.576 28.149 1.427 1
1 992 . 4 1 1 A 100 100 GLN N N 100 116.914 114.591 2.323 1
1 993 . 4 1 1 A 101 101 GLY H H 101 7.910 7.461 0.449 1
1 994 . 4 1 1 A 101 101 GLY HA2 H 101 4.262 3.877 0.385 1
1 995 . 4 1 1 A 101 101 GLY HA3 H 101 3.661 3.990 -0.329 1
1 996 . 4 1 1 A 101 101 GLY CA C 101 44.884 45.159 -0.275 1
1 997 . 4 1 1 A 101 101 GLY N N 101 106.044 109.201 -3.157 1
1 998 . 4 1 1 A 102 102 TYR H H 102 8.078 7.873 0.205 1
1 999 . 4 1 1 A 102 102 TYR HA H 102 4.311 4.634 -0.323 1
1 1006 . 4 1 1 A 102 102 TYR CA C 102 59.253 58.229 1.024 1
1 1007 . 4 1 1 A 102 102 TYR CB C 102 37.849 39.668 -1.819 1
1 1010 . 4 1 1 A 102 102 TYR N N 102 120.876 119.753 1.123 1
1 1011 . 4 1 1 A 103 103 GLN H H 103 8.610 8.618 -0.008 1
1 1012 . 4 1 1 A 103 103 GLN HA H 103 4.280 4.697 -0.417 1
1 1015 . 4 1 1 A 103 103 GLN CA C 103 56.620 55.827 0.793 1
1 1016 . 4 1 1 A 103 103 GLN CB C 103 29.100 30.963 -1.863 1
1 1017 . 4 1 1 A 103 103 GLN N N 103 119.785 117.647 2.138 1
1 1018 . 4 1 1 A 105 105 PRO HA H 105 4.631 4.633 -0.002 1
1 1025 . 4 1 1 A 105 105 PRO CA C 105 61.602 62.020 -0.418 1
1 1026 . 4 1 1 A 105 105 PRO CB C 105 31.690 33.065 -1.375 1
1 1029 . 4 1 1 A 106 106 SER H H 106 8.485 8.786 -0.301 1
1 1030 . 4 1 1 A 106 106 SER HA H 106 4.183 4.377 -0.194 1
1 1033 . 4 1 1 A 106 106 SER CA C 106 59.525 59.347 0.178 1
1 1034 . 4 1 1 A 106 106 SER CB C 106 63.078 63.501 -0.423 1
1 1035 . 4 1 1 A 106 106 SER N N 106 112.361 115.217 -2.856 1
1 1036 . 4 1 1 A 107 107 ALA H H 107 7.410 7.477 -0.067 1
1 1037 . 4 1 1 A 107 107 ALA HA H 107 4.308 4.730 -0.422 1
1 1041 . 4 1 1 A 107 107 ALA CA C 107 50.086 50.325 -0.239 1
1 1042 . 4 1 1 A 107 107 ALA CB C 107 21.253 21.103 0.150 1
1 1043 . 4 1 1 A 107 107 ALA N N 107 121.311 122.581 -1.270 1
1 1044 . 4 1 1 A 108 108 LEU H H 108 8.915 8.420 0.495 1
1 1045 . 4 1 1 A 108 108 LEU HA H 108 4.020 4.661 -0.641 1
1 1055 . 4 1 1 A 108 108 LEU CA C 108 52.990 52.264 0.726 1
1 1056 . 4 1 1 A 108 108 LEU CB C 108 42.041 42.474 -0.433 1
1 1060 . 4 1 1 A 108 108 LEU N N 108 122.607 121.903 0.704 1
1 1061 . 4 1 1 A 110 110 PRO HA H 110 4.024 4.343 -0.319 1
1 1068 . 4 1 1 A 110 110 PRO CA C 110 65.440 64.767 0.673 1
1 1069 . 4 1 1 A 110 110 PRO CB C 110 31.638 31.697 -0.059 1
1 1072 . 4 1 1 A 111 111 VAL H H 111 8.118 7.413 0.705 1
1 1073 . 4 1 1 A 111 111 VAL HA H 111 3.986 3.932 0.054 1
1 1081 . 4 1 1 A 111 111 VAL CA C 111 63.779 64.820 -1.041 1
1 1082 . 4 1 1 A 111 111 VAL CB C 111 31.065 31.296 -0.231 1
1 1085 . 4 1 1 A 111 111 VAL N N 111 115.605 116.775 -1.170 1
1 1086 . 4 1 1 A 112 112 MET H H 112 7.908 7.507 0.401 1
1 1087 . 4 1 1 A 112 112 MET HA H 112 4.160 4.407 -0.247 1
1 1095 . 4 1 1 A 112 112 MET CA C 112 59.098 57.648 1.450 1
1 1096 . 4 1 1 A 112 112 MET CB C 112 34.024 33.234 0.790 1
1 1099 . 4 1 1 A 112 112 MET N N 112 118.943 120.010 -1.067 1
1 1100 . 4 1 1 A 113 113 LYS H H 113 7.330 7.391 -0.061 1
1 1101 . 4 1 1 A 113 113 LYS HA H 113 4.182 4.051 0.131 1
1 1110 . 4 1 1 A 113 113 LYS CA C 113 55.987 59.206 -3.219 1
1 1111 . 4 1 1 A 113 113 LYS CB C 113 32.841 32.458 0.383 1
1 1115 . 4 1 1 A 113 113 LYS N N 113 112.617 116.925 -4.308 1
1 1116 . 4 1 1 A 114 114 GLN H H 114 7.114 8.004 -0.890 1
1 1117 . 4 1 1 A 114 114 GLN HA H 114 4.309 4.486 -0.177 1
1 1124 . 4 1 1 A 114 114 GLN CA C 114 54.956 57.986 -3.030 1
1 1125 . 4 1 1 A 114 114 GLN CB C 114 29.241 27.571 1.670 1
1 1127 . 4 1 1 A 114 114 GLN N N 114 117.852 115.333 2.519 1
1 1129 . 4 1 1 A 115 115 GLN H H 115 8.556 8.655 -0.099 1
1 1130 . 4 1 1 A 115 115 GLN HA H 115 4.501 4.736 -0.235 1
1 1137 . 4 1 1 A 115 115 GLN CA C 115 53.858 53.889 -0.031 1
1 1138 . 4 1 1 A 115 115 GLN CB C 115 28.234 30.207 -1.973 1
1 1140 . 4 1 1 A 115 115 GLN N N 115 123.195 122.858 0.337 1
1 1142 . 4 1 1 A 116 116 PRO HA H 116 4.530 4.544 -0.014 1
1 1149 . 4 1 1 A 116 116 PRO CA C 116 63.050 62.251 0.799 1
1 1150 . 4 1 1 A 116 116 PRO CB C 116 31.953 33.076 -1.123 1
1 1153 . 4 1 1 A 117 117 VAL H H 117 8.345 8.346 -0.001 1
1 1154 . 4 1 1 A 117 117 VAL HA H 117 4.167 4.279 -0.112 1
1 1162 . 4 1 1 A 117 117 VAL CA C 117 61.258 62.436 -1.178 1
1 1163 . 4 1 1 A 117 117 VAL CB C 117 33.724 32.000 1.724 1
1 1166 . 4 1 1 A 117 117 VAL N N 117 120.361 119.582 0.779 1
1 1167 . 4 1 1 A 118 118 ALA H H 118 8.470 8.751 -0.281 1
1 1168 . 4 1 1 A 118 118 ALA HA H 118 4.452 4.820 -0.368 1
1 1172 . 4 1 1 A 118 118 ALA CA C 118 51.678 51.932 -0.254 1
1 1173 . 4 1 1 A 118 118 ALA CB C 118 19.260 19.110 0.150 1
1 1174 . 4 1 1 A 118 118 ALA N N 118 128.412 127.663 0.749 1
1 1175 . 4 1 1 A 119 119 ILE H H 119 8.250 8.995 -0.745 1
1 1176 . 4 1 1 A 119 119 ILE HA H 119 4.240 4.294 -0.054 1
1 1186 . 4 1 1 A 119 119 ILE CA C 119 60.743 62.127 -1.384 1
1 1187 . 4 1 1 A 119 119 ILE CB C 119 38.914 38.135 0.779 1
1 1191 . 4 1 1 A 119 119 ILE N N 119 120.929 126.126 -5.197 1
1 1192 . 4 1 1 A 120 120 SER H H 120 8.413 8.504 -0.091 1
1 1193 . 4 1 1 A 120 120 SER HA H 120 4.543 5.299 -0.756 1
1 1196 . 4 1 1 A 120 120 SER CA C 120 57.878 56.771 1.107 1
1 1197 . 4 1 1 A 120 120 SER CB C 120 63.951 64.528 -0.577 1
1 1198 . 4 1 1 A 120 120 SER N N 120 120.494 123.981 -3.487 1
1 1 . 5 1 1 A 12 12 ALA H H 12 8.223 8.040 0.183 1
1 2 . 5 1 1 A 12 12 ALA HA H 12 4.220 3.986 0.234 1
1 6 . 5 1 1 A 12 12 ALA CA C 12 52.323 54.261 -1.938 1
1 7 . 5 1 1 A 12 12 ALA CB C 12 19.015 18.058 0.957 1
1 8 . 5 1 1 A 12 12 ALA N N 12 124.624 121.417 3.207 1
1 9 . 5 1 1 A 13 13 GLN H H 13 8.220 8.798 -0.578 1
1 10 . 5 1 1 A 13 13 GLN HA H 13 4.292 3.907 0.385 1
1 13 . 5 1 1 A 13 13 GLN CA C 13 55.457 56.675 -1.218 1
1 14 . 5 1 1 A 13 13 GLN CB C 13 29.804 27.045 2.759 1
1 15 . 5 1 1 A 13 13 GLN N N 13 119.119 114.894 4.225 1
1 16 . 5 1 1 A 14 14 PHE H H 14 8.109 8.148 -0.039 1
1 17 . 5 1 1 A 14 14 PHE HA H 14 4.559 5.241 -0.682 1
1 20 . 5 1 1 A 14 14 PHE CA C 14 58.250 55.401 2.849 1
1 21 . 5 1 1 A 14 14 PHE CB C 14 39.950 40.692 -0.742 1
1 22 . 5 1 1 A 14 14 PHE N N 14 121.712 118.828 2.884 1
1 23 . 5 1 1 A 15 15 PRO HA H 15 4.492 4.654 -0.162 1
1 30 . 5 1 1 A 15 15 PRO CA C 15 63.047 62.113 0.934 1
1 31 . 5 1 1 A 15 15 PRO CB C 15 31.810 32.598 -0.788 1
1 34 . 5 1 1 A 16 16 THR H H 16 8.197 8.372 -0.175 1
1 35 . 5 1 1 A 16 16 THR HA H 16 4.614 4.395 0.219 1
1 40 . 5 1 1 A 16 16 THR CA C 16 59.526 59.316 0.210 1
1 41 . 5 1 1 A 16 16 THR CB C 16 69.603 69.080 0.523 1
1 43 . 5 1 1 A 16 16 THR N N 16 115.700 116.296 -0.596 1
1 44 . 5 1 1 A 17 17 PRO HA H 17 4.360 4.701 -0.341 1
1 51 . 5 1 1 A 17 17 PRO CA C 17 63.321 62.640 0.681 1
1 52 . 5 1 1 A 17 17 PRO CB C 17 31.680 32.549 -0.869 1
1 55 . 5 1 1 A 18 18 PHE H H 18 8.212 8.430 -0.218 1
1 56 . 5 1 1 A 18 18 PHE HA H 18 4.589 5.001 -0.412 1
1 64 . 5 1 1 A 18 18 PHE CA C 18 57.648 56.128 1.520 1
1 65 . 5 1 1 A 18 18 PHE CB C 18 39.165 41.620 -2.455 1
1 69 . 5 1 1 A 18 18 PHE N N 18 119.185 118.479 0.706 1
1 70 . 5 1 1 A 19 19 GLY H H 19 8.250 8.704 -0.454 1
1 71 . 5 1 1 A 19 19 GLY HA2 H 19 3.943 3.913 0.030 1
1 72 . 5 1 1 A 19 19 GLY HA3 H 19 3.935 3.977 -0.042 1
1 73 . 5 1 1 A 19 19 GLY CA C 19 45.100 45.725 -0.625 1
1 74 . 5 1 1 A 19 19 GLY N N 19 110.566 109.895 0.671 1
1 75 . 5 1 1 A 20 20 GLY H H 20 7.873 8.452 -0.579 1
1 76 . 5 1 1 A 20 20 GLY HA2 H 20 3.964 4.009 -0.045 1
1 77 . 5 1 1 A 20 20 GLY HA3 H 20 3.955 4.034 -0.079 1
1 78 . 5 1 1 A 20 20 GLY CA C 20 45.056 44.151 0.905 1
1 79 . 5 1 1 A 20 20 GLY N N 20 108.171 106.598 1.573 1
1 80 . 5 1 1 A 21 21 SER H H 21 8.274 8.703 -0.429 1
1 81 . 5 1 1 A 21 21 SER HA H 21 4.523 4.562 -0.039 1
1 84 . 5 1 1 A 21 21 SER CA C 21 57.951 57.683 0.268 1
1 85 . 5 1 1 A 21 21 SER CB C 21 63.946 61.340 2.606 1
1 86 . 5 1 1 A 21 21 SER N N 21 115.180 116.201 -1.021 1
1 87 . 5 1 1 A 22 22 LEU H H 22 8.435 7.946 0.489 1
1 88 . 5 1 1 A 22 22 LEU HA H 22 4.302 4.206 0.096 1
1 98 . 5 1 1 A 22 22 LEU CA C 22 55.846 56.031 -0.185 1
1 99 . 5 1 1 A 22 22 LEU CB C 22 42.229 42.319 -0.090 1
1 103 . 5 1 1 A 22 22 LEU N N 22 123.998 127.749 -3.751 1
1 104 . 5 1 1 A 23 23 ASP H H 23 8.291 7.985 0.306 1
1 105 . 5 1 1 A 23 23 ASP HA H 23 4.494 4.792 -0.298 1
1 108 . 5 1 1 A 23 23 ASP CA C 23 54.981 53.073 1.908 1
1 109 . 5 1 1 A 23 23 ASP CB C 23 41.190 40.737 0.453 1
1 110 . 5 1 1 A 23 23 ASP N N 23 120.385 116.700 3.685 1
1 111 . 5 1 1 A 24 24 THR H H 24 8.010 8.126 -0.116 1
1 112 . 5 1 1 A 24 24 THR HA H 24 3.770 3.838 -0.068 1
1 117 . 5 1 1 A 24 24 THR CA C 24 64.590 66.493 -1.903 1
1 118 . 5 1 1 A 24 24 THR CB C 24 69.620 68.352 1.268 1
1 120 . 5 1 1 A 24 24 THR N N 24 117.799 119.645 -1.846 1
1 121 . 5 1 1 A 25 25 TRP H H 25 7.780 7.592 0.188 1
1 122 . 5 1 1 A 25 25 TRP HA H 25 4.012 4.725 -0.713 1
1 131 . 5 1 1 A 25 25 TRP CA C 25 57.837 57.095 0.742 1
1 132 . 5 1 1 A 25 25 TRP CB C 25 28.842 29.802 -0.960 1
1 138 . 5 1 1 A 25 25 TRP N N 25 118.659 118.491 0.168 1
1 140 . 5 1 1 A 26 26 ALA H H 26 7.101 7.650 -0.549 1
1 141 . 5 1 1 A 26 26 ALA HA H 26 3.949 4.760 -0.811 1
1 145 . 5 1 1 A 26 26 ALA CA C 26 52.102 50.246 1.856 1
1 146 . 5 1 1 A 26 26 ALA CB C 26 18.840 22.498 -3.658 1
1 147 . 5 1 1 A 26 26 ALA N N 26 117.054 121.773 -4.719 1
1 148 . 5 1 1 A 27 27 ILE H H 27 8.687 8.692 -0.005 1
1 149 . 5 1 1 A 27 27 ILE HA H 27 4.332 4.594 -0.262 1
1 159 . 5 1 1 A 27 27 ILE CA C 27 61.430 60.452 0.978 1
1 160 . 5 1 1 A 27 27 ILE CB C 27 38.550 38.417 0.133 1
1 164 . 5 1 1 A 27 27 ILE N N 27 125.107 118.770 6.337 1
1 165 . 5 1 1 A 28 28 THR H H 28 8.981 8.677 0.304 1
1 166 . 5 1 1 A 28 28 THR HA H 28 4.760 4.487 0.273 1
1 171 . 5 1 1 A 28 28 THR CA C 28 60.685 61.865 -1.180 1
1 172 . 5 1 1 A 28 28 THR CB C 28 71.252 69.717 1.535 1
1 174 . 5 1 1 A 28 28 THR N N 28 118.938 122.926 -3.988 1
1 175 . 5 1 1 A 29 29 VAL H H 29 8.612 8.599 0.013 1
1 176 . 5 1 1 A 29 29 VAL HA H 29 3.532 3.520 0.012 1
1 184 . 5 1 1 A 29 29 VAL CA C 29 66.349 66.224 0.125 1
1 185 . 5 1 1 A 29 29 VAL CB C 29 31.799 31.405 0.394 1
1 188 . 5 1 1 A 29 29 VAL N N 29 119.411 123.802 -4.391 1
1 189 . 5 1 1 A 30 30 GLU H H 30 8.432 7.981 0.451 1
1 190 . 5 1 1 A 30 30 GLU HA H 30 4.011 3.848 0.163 1
1 195 . 5 1 1 A 30 30 GLU CA C 30 59.597 58.987 0.610 1
1 196 . 5 1 1 A 30 30 GLU CB C 30 28.912 29.252 -0.340 1
1 198 . 5 1 1 A 30 30 GLU N N 30 119.890 120.469 -0.579 1
1 199 . 5 1 1 A 31 31 GLU H H 31 7.737 8.096 -0.359 1
1 200 . 5 1 1 A 31 31 GLU HA H 31 3.604 3.956 -0.352 1
1 205 . 5 1 1 A 31 31 GLU CA C 31 58.718 58.957 -0.239 1
1 206 . 5 1 1 A 31 31 GLU CB C 31 30.666 29.175 1.491 1
1 208 . 5 1 1 A 31 31 GLU N N 31 120.821 118.753 2.068 1
1 209 . 5 1 1 A 32 32 ARG H H 32 8.382 8.357 0.025 1
1 210 . 5 1 1 A 32 32 ARG HA H 32 3.998 3.834 0.164 1
1 213 . 5 1 1 A 32 32 ARG CA C 32 57.356 58.834 -1.478 1
1 214 . 5 1 1 A 32 32 ARG CB C 32 28.870 30.000 -1.130 1
1 215 . 5 1 1 A 32 32 ARG N N 32 117.523 118.421 -0.898 1
1 216 . 5 1 1 A 33 33 ALA H H 33 7.919 7.471 0.448 1
1 217 . 5 1 1 A 33 33 ALA HA H 33 4.248 4.216 0.032 1
1 221 . 5 1 1 A 33 33 ALA CA C 33 55.007 54.997 0.010 1
1 222 . 5 1 1 A 33 33 ALA CB C 33 17.601 18.208 -0.607 1
1 223 . 5 1 1 A 33 33 ALA N N 33 119.982 121.931 -1.949 1
1 224 . 5 1 1 A 34 34 LYS H H 34 7.212 8.487 -1.275 1
1 225 . 5 1 1 A 34 34 LYS HA H 34 4.194 4.157 0.037 1
1 234 . 5 1 1 A 34 34 LYS CA C 34 58.852 59.703 -0.851 1
1 235 . 5 1 1 A 34 34 LYS CB C 34 31.598 32.229 -0.631 1
1 239 . 5 1 1 A 34 34 LYS N N 34 119.567 119.299 0.268 1
1 240 . 5 1 1 A 35 35 HIS H H 35 8.814 7.992 0.822 1
1 241 . 5 1 1 A 35 35 HIS HA H 35 4.923 4.329 0.594 1
1 244 . 5 1 1 A 35 35 HIS CA C 35 57.821 60.094 -2.273 1
1 245 . 5 1 1 A 35 35 HIS CB C 35 29.950 29.986 -0.036 1
1 246 . 5 1 1 A 35 35 HIS N N 35 122.252 118.296 3.956 1
1 247 . 5 1 1 A 36 36 ASP H H 36 9.292 8.422 0.870 1
1 248 . 5 1 1 A 36 36 ASP HA H 36 4.454 4.410 0.044 1
1 251 . 5 1 1 A 36 36 ASP CA C 36 57.305 57.927 -0.622 1
1 252 . 5 1 1 A 36 36 ASP CB C 36 39.889 41.448 -1.559 1
1 253 . 5 1 1 A 36 36 ASP N N 36 118.831 120.846 -2.015 1
1 254 . 5 1 1 A 37 37 GLN H H 37 7.673 7.790 -0.117 1
1 255 . 5 1 1 A 37 37 GLN HA H 37 4.241 4.026 0.215 1
1 262 . 5 1 1 A 37 37 GLN CA C 37 59.019 59.394 -0.375 1
1 263 . 5 1 1 A 37 37 GLN CB C 37 28.315 28.330 -0.015 1
1 265 . 5 1 1 A 37 37 GLN N N 37 120.072 118.954 1.118 1
1 266 . 5 1 1 A 38 38 GLN H H 38 8.329 7.585 0.744 1
1 267 . 5 1 1 A 38 38 GLN HA H 38 4.040 4.166 -0.126 1
1 274 . 5 1 1 A 38 38 GLN CA C 38 58.734 58.572 0.162 1
1 275 . 5 1 1 A 38 38 GLN CB C 38 28.549 28.783 -0.234 1
1 277 . 5 1 1 A 38 38 GLN N N 38 120.847 119.117 1.730 1
1 279 . 5 1 1 A 39 39 PHE H H 39 9.453 8.498 0.955 1
1 280 . 5 1 1 A 39 39 PHE HA H 39 2.811 4.271 -1.460 1
1 286 . 5 1 1 A 39 39 PHE CA C 39 61.602 61.359 0.243 1
1 287 . 5 1 1 A 39 39 PHE CB C 39 38.799 39.026 -0.227 1
1 291 . 5 1 1 A 39 39 PHE N N 39 123.507 121.023 2.484 1
1 292 . 5 1 1 A 40 40 HIS H H 40 8.096 8.627 -0.531 1
1 293 . 5 1 1 A 40 40 HIS HA H 40 3.884 4.019 -0.135 1
1 297 . 5 1 1 A 40 40 HIS CA C 40 59.910 59.796 0.114 1
1 298 . 5 1 1 A 40 40 HIS CB C 40 29.558 29.487 0.071 1
1 300 . 5 1 1 A 40 40 HIS N N 40 114.319 118.159 -3.840 1
1 301 . 5 1 1 A 41 41 SER H H 41 7.818 8.093 -0.275 1
1 302 . 5 1 1 A 41 41 SER HA H 41 4.300 4.329 -0.029 1
1 305 . 5 1 1 A 41 41 SER CA C 41 60.851 61.733 -0.882 1
1 306 . 5 1 1 A 41 41 SER CB C 41 62.612 63.431 -0.819 1
1 307 . 5 1 1 A 41 41 SER N N 41 116.677 115.471 1.206 1
1 308 . 5 1 1 A 42 42 LEU H H 42 7.079 7.581 -0.502 1
1 309 . 5 1 1 A 42 42 LEU HA H 42 4.071 4.173 -0.102 1
1 319 . 5 1 1 A 42 42 LEU CA C 42 54.685 55.008 -0.323 1
1 320 . 5 1 1 A 42 42 LEU CB C 42 40.874 42.018 -1.144 1
1 324 . 5 1 1 A 42 42 LEU N N 42 121.868 118.131 3.737 1
1 325 . 5 1 1 A 43 43 LYS H H 43 7.345 7.678 -0.333 1
1 326 . 5 1 1 A 43 43 LYS HA H 43 3.877 3.770 0.107 1
1 335 . 5 1 1 A 43 43 LYS CA C 43 56.035 56.666 -0.631 1
1 336 . 5 1 1 A 43 43 LYS CB C 43 28.886 30.254 -1.368 1
1 340 . 5 1 1 A 43 43 LYS N N 43 110.393 115.153 -4.760 1
1 341 . 5 1 1 A 44 44 PRO HA H 44 4.239 4.183 0.056 1
1 348 . 5 1 1 A 44 44 PRO CA C 44 62.424 62.811 -0.387 1
1 349 . 5 1 1 A 44 44 PRO CB C 44 32.413 31.624 0.789 1
1 352 . 5 1 1 A 45 45 ILE H H 45 8.586 7.942 0.644 1
1 353 . 5 1 1 A 45 45 ILE HA H 45 4.337 3.846 0.491 1
1 363 . 5 1 1 A 45 45 ILE CA C 45 60.170 63.091 -2.921 1
1 364 . 5 1 1 A 45 45 ILE CB C 45 39.143 38.008 1.135 1
1 368 . 5 1 1 A 45 45 ILE N N 45 120.985 125.061 -4.076 1
1 369 . 5 1 1 A 46 46 SER H H 46 9.512 7.846 1.666 1
1 370 . 5 1 1 A 46 46 SER HA H 46 4.055 4.579 -0.524 1
1 373 . 5 1 1 A 46 46 SER CA C 46 58.483 59.285 -0.802 1
1 374 . 5 1 1 A 46 46 SER CB C 46 62.174 65.669 -3.495 1
1 375 . 5 1 1 A 46 46 SER N N 46 124.158 114.353 9.805 1
1 376 . 5 1 1 A 47 47 GLY H H 47 8.555 7.604 0.951 1
1 377 . 5 1 1 A 47 47 GLY HA2 H 47 4.020 4.190 -0.170 1
1 378 . 5 1 1 A 47 47 GLY HA3 H 47 3.531 4.259 -0.728 1
1 379 . 5 1 1 A 47 47 GLY CA C 47 44.328 45.811 -1.483 1
1 380 . 5 1 1 A 47 47 GLY N N 47 162.194 105.793 56.401 1
1 381 . 5 1 1 A 48 48 PHE H H 48 7.710 7.390 0.320 1
1 382 . 5 1 1 A 48 48 PHE HA H 48 5.783 5.128 0.655 1
1 387 . 5 1 1 A 48 48 PHE CA C 48 56.732 56.105 0.627 1
1 388 . 5 1 1 A 48 48 PHE CB C 48 43.784 41.197 2.587 1
1 391 . 5 1 1 A 48 48 PHE N N 48 115.641 115.238 0.403 1
1 392 . 5 1 1 A 49 49 ILE H H 49 9.141 8.793 0.348 1
1 393 . 5 1 1 A 49 49 ILE HA H 49 4.908 4.747 0.161 1
1 403 . 5 1 1 A 49 49 ILE CA C 49 59.368 58.977 0.391 1
1 404 . 5 1 1 A 49 49 ILE CB C 49 39.945 42.074 -2.129 1
1 408 . 5 1 1 A 49 49 ILE N N 49 114.692 116.563 -1.871 1
1 409 . 5 1 1 A 50 50 THR H H 50 8.700 8.141 0.559 1
1 410 . 5 1 1 A 50 50 THR HA H 50 4.473 4.680 -0.207 1
1 415 . 5 1 1 A 50 50 THR CA C 50 60.914 60.808 0.106 1
1 416 . 5 1 1 A 50 50 THR CB C 50 70.829 73.110 -2.281 1
1 418 . 5 1 1 A 50 50 THR N N 50 112.658 113.524 -0.866 1
1 419 . 5 1 1 A 51 51 GLY H H 51 8.778 8.949 -0.171 1
1 420 . 5 1 1 A 51 51 GLY HA2 H 51 3.790 3.436 0.354 1
1 421 . 5 1 1 A 51 51 GLY HA3 H 51 3.713 3.526 0.187 1
1 422 . 5 1 1 A 51 51 GLY CA C 51 48.310 47.114 1.196 1
1 423 . 5 1 1 A 51 51 GLY N N 51 108.204 112.094 -3.890 1
1 424 . 5 1 1 A 52 52 ASP H H 52 8.225 8.329 -0.104 1
1 425 . 5 1 1 A 52 52 ASP HA H 52 4.216 4.146 0.070 1
1 428 . 5 1 1 A 52 52 ASP CA C 52 57.344 57.164 0.180 1
1 429 . 5 1 1 A 52 52 ASP CB C 52 40.304 41.480 -1.176 1
1 430 . 5 1 1 A 52 52 ASP N N 52 119.404 121.251 -1.847 1
1 431 . 5 1 1 A 53 53 GLN H H 53 7.810 8.018 -0.208 1
1 432 . 5 1 1 A 53 53 GLN HA H 53 3.969 3.939 0.030 1
1 439 . 5 1 1 A 53 53 GLN CA C 53 58.673 58.643 0.030 1
1 440 . 5 1 1 A 53 53 GLN CB C 53 29.794 28.305 1.489 1
1 442 . 5 1 1 A 53 53 GLN N N 53 118.935 117.887 1.048 1
1 444 . 5 1 1 A 54 54 ALA H H 54 8.293 7.928 0.365 1
1 445 . 5 1 1 A 54 54 ALA HA H 54 3.642 3.762 -0.120 1
1 449 . 5 1 1 A 54 54 ALA CA C 54 55.243 55.052 0.191 1
1 450 . 5 1 1 A 54 54 ALA CB C 54 19.448 17.817 1.631 1
1 451 . 5 1 1 A 54 54 ALA N N 54 120.858 122.795 -1.937 1
1 452 . 5 1 1 A 55 55 ARG H H 55 8.744 7.835 0.909 1
1 453 . 5 1 1 A 55 55 ARG HA H 55 3.795 4.004 -0.209 1
1 460 . 5 1 1 A 55 55 ARG CA C 55 60.628 59.419 1.209 1
1 461 . 5 1 1 A 55 55 ARG CB C 55 30.224 29.945 0.279 1
1 464 . 5 1 1 A 55 55 ARG N N 55 115.211 117.654 -2.443 1
1 465 . 5 1 1 A 56 56 ASN H H 56 8.056 8.042 0.014 1
1 466 . 5 1 1 A 56 56 ASN HA H 56 4.470 4.403 0.067 1
1 471 . 5 1 1 A 56 56 ASN CA C 56 56.091 56.232 -0.141 1
1 472 . 5 1 1 A 56 56 ASN CB C 56 38.069 39.557 -1.488 1
1 473 . 5 1 1 A 56 56 ASN N N 56 116.543 117.812 -1.269 1
1 475 . 5 1 1 A 57 57 PHE H H 57 7.567 7.840 -0.273 1
1 476 . 5 1 1 A 57 57 PHE HA H 57 4.517 4.264 0.253 1
1 481 . 5 1 1 A 57 57 PHE CA C 57 61.373 61.434 -0.061 1
1 482 . 5 1 1 A 57 57 PHE CB C 57 39.518 38.973 0.545 1
1 485 . 5 1 1 A 57 57 PHE N N 57 121.111 119.981 1.130 1
1 486 . 5 1 1 A 58 58 PHE H H 58 8.995 8.055 0.940 1
1 487 . 5 1 1 A 58 58 PHE HA H 58 4.501 4.293 0.208 1
1 491 . 5 1 1 A 58 58 PHE CA C 58 57.190 61.494 -4.304 1
1 492 . 5 1 1 A 58 58 PHE CB C 58 37.236 38.790 -1.554 1
1 494 . 5 1 1 A 58 58 PHE N N 58 119.594 118.671 0.923 1
1 495 . 5 1 1 A 59 59 PHE H H 59 8.510 9.012 -0.502 1
1 496 . 5 1 1 A 59 59 PHE HA H 59 4.296 4.196 0.100 1
1 500 . 5 1 1 A 59 59 PHE CA C 59 60.456 61.162 -0.706 1
1 501 . 5 1 1 A 59 59 PHE CB C 59 38.914 38.883 0.031 1
1 503 . 5 1 1 A 59 59 PHE N N 59 120.834 118.914 1.920 1
1 504 . 5 1 1 A 60 60 GLN H H 60 7.652 8.171 -0.519 1
1 505 . 5 1 1 A 60 60 GLN HA H 60 4.056 4.006 0.050 1
1 512 . 5 1 1 A 60 60 GLN CA C 60 57.133 58.491 -1.358 1
1 513 . 5 1 1 A 60 60 GLN CB C 60 27.771 28.363 -0.592 1
1 515 . 5 1 1 A 60 60 GLN N N 60 116.464 118.470 -2.006 1
1 517 . 5 1 1 A 61 61 SER H H 61 7.823 7.327 0.496 1
1 518 . 5 1 1 A 61 61 SER HA H 61 3.985 4.356 -0.371 1
1 521 . 5 1 1 A 61 61 SER CA C 61 60.571 58.191 2.380 1
1 522 . 5 1 1 A 61 61 SER CB C 61 65.277 63.471 1.806 1
1 523 . 5 1 1 A 61 61 SER N N 61 113.448 112.025 1.423 1
1 524 . 5 1 1 A 62 62 GLY H H 62 7.478 8.869 -1.391 1
1 525 . 5 1 1 A 62 62 GLY HA2 H 62 4.115 3.726 0.389 1
1 526 . 5 1 1 A 62 62 GLY HA3 H 62 3.699 3.833 -0.134 1
1 527 . 5 1 1 A 62 62 GLY CA C 62 45.445 46.246 -0.801 1
1 528 . 5 1 1 A 62 62 GLY N N 62 108.189 109.653 -1.464 1
1 529 . 5 1 1 A 63 63 LEU H H 63 7.282 7.729 -0.447 1
1 530 . 5 1 1 A 63 63 LEU HA H 63 4.471 4.717 -0.246 1
1 540 . 5 1 1 A 63 63 LEU CA C 63 52.971 51.351 1.620 1
1 541 . 5 1 1 A 63 63 LEU CB C 63 41.597 44.697 -3.100 1
1 545 . 5 1 1 A 63 63 LEU N N 63 120.356 120.790 -0.434 1
1 546 . 5 1 1 A 64 64 PRO HA H 64 4.559 4.732 -0.173 1
1 553 . 5 1 1 A 64 64 PRO CA C 64 63.039 62.574 0.465 1
1 554 . 5 1 1 A 64 64 PRO CB C 64 33.402 32.732 0.670 1
1 557 . 5 1 1 A 65 65 GLN H H 65 9.289 8.744 0.545 1
1 558 . 5 1 1 A 65 65 GLN HA H 65 4.194 4.173 0.021 1
1 563 . 5 1 1 A 65 65 GLN CA C 65 61.180 60.306 0.874 1
1 564 . 5 1 1 A 65 65 GLN CB C 65 25.845 28.108 -2.263 1
1 566 . 5 1 1 A 65 65 GLN N N 65 122.729 122.047 0.682 1
1 567 . 5 1 1 A 66 66 PRO HA H 66 4.399 4.439 -0.040 1
1 574 . 5 1 1 A 66 66 PRO CA C 66 65.956 65.500 0.456 1
1 575 . 5 1 1 A 66 66 PRO CB C 66 30.665 30.902 -0.237 1
1 578 . 5 1 1 A 67 67 VAL H H 67 6.875 7.096 -0.221 1
1 579 . 5 1 1 A 67 67 VAL HA H 67 3.930 3.925 0.005 1
1 587 . 5 1 1 A 67 67 VAL CA C 67 64.811 65.068 -0.257 1
1 588 . 5 1 1 A 67 67 VAL CB C 67 31.581 31.438 0.143 1
1 591 . 5 1 1 A 67 67 VAL N N 67 117.350 116.678 0.672 1
1 592 . 5 1 1 A 68 68 LEU H H 68 7.965 8.318 -0.353 1
1 593 . 5 1 1 A 68 68 LEU HA H 68 3.955 4.074 -0.119 1
1 603 . 5 1 1 A 68 68 LEU CA C 68 57.878 57.932 -0.054 1
1 604 . 5 1 1 A 68 68 LEU CB C 68 40.821 42.082 -1.261 1
1 608 . 5 1 1 A 68 68 LEU N N 68 119.980 120.157 -0.177 1
1 609 . 5 1 1 A 69 69 ALA H H 69 8.577 8.969 -0.392 1
1 610 . 5 1 1 A 69 69 ALA HA H 69 4.375 4.331 0.044 1
1 614 . 5 1 1 A 69 69 ALA CA C 69 55.128 54.966 0.162 1
1 615 . 5 1 1 A 69 69 ALA CB C 69 17.533 18.310 -0.777 1
1 616 . 5 1 1 A 69 69 ALA N N 69 122.731 121.003 1.728 1
1 617 . 5 1 1 A 70 70 GLN H H 70 7.534 7.813 -0.279 1
1 618 . 5 1 1 A 70 70 GLN HA H 70 4.190 4.059 0.131 1
1 625 . 5 1 1 A 70 70 GLN CA C 70 58.623 58.956 -0.333 1
1 626 . 5 1 1 A 70 70 GLN CB C 70 28.349 28.171 0.178 1
1 628 . 5 1 1 A 70 70 GLN N N 70 120.846 117.679 3.167 1
1 630 . 5 1 1 A 71 71 ILE H H 71 8.170 7.600 0.570 1
1 631 . 5 1 1 A 71 71 ILE HA H 71 3.455 3.686 -0.231 1
1 641 . 5 1 1 A 71 71 ILE CA C 71 66.530 65.106 1.424 1
1 642 . 5 1 1 A 71 71 ILE CB C 71 37.768 37.362 0.406 1
1 646 . 5 1 1 A 71 71 ILE N N 71 120.351 119.995 0.356 1
1 647 . 5 1 1 A 72 72 TRP H H 72 8.473 8.323 0.150 1
1 648 . 5 1 1 A 72 72 TRP HA H 72 3.845 4.352 -0.507 1
1 657 . 5 1 1 A 72 72 TRP CA C 72 61.144 61.025 0.119 1
1 658 . 5 1 1 A 72 72 TRP CB C 72 28.496 29.497 -1.001 1
1 664 . 5 1 1 A 72 72 TRP N N 72 119.417 121.503 -2.086 1
1 666 . 5 1 1 A 73 73 ALA H H 73 7.647 8.685 -1.038 1
1 667 . 5 1 1 A 73 73 ALA HA H 73 4.012 3.892 0.120 1
1 671 . 5 1 1 A 73 73 ALA CA C 73 54.154 55.074 -0.920 1
1 672 . 5 1 1 A 73 73 ALA CB C 73 18.059 18.195 -0.136 1
1 673 . 5 1 1 A 73 73 ALA N N 73 116.148 121.736 -5.588 1
1 674 . 5 1 1 A 74 74 LEU H H 74 7.493 8.120 -0.627 1
1 675 . 5 1 1 A 74 74 LEU HA H 74 3.947 4.078 -0.131 1
1 685 . 5 1 1 A 74 74 LEU CA C 74 56.478 58.048 -1.570 1
1 686 . 5 1 1 A 74 74 LEU CB C 74 43.726 41.462 2.264 1
1 690 . 5 1 1 A 74 74 LEU N N 74 115.647 120.401 -4.754 1
1 691 . 5 1 1 A 75 75 ALA H H 75 7.952 8.391 -0.439 1
1 692 . 5 1 1 A 75 75 ALA HA H 75 4.019 4.159 -0.140 1
1 696 . 5 1 1 A 75 75 ALA CA C 75 53.982 55.306 -1.324 1
1 697 . 5 1 1 A 75 75 ALA CB C 75 19.913 18.619 1.294 1
1 698 . 5 1 1 A 75 75 ALA N N 75 118.000 121.426 -3.426 1
1 699 . 5 1 1 A 76 76 ASP H H 76 7.798 8.298 -0.500 1
1 700 . 5 1 1 A 76 76 ASP HA H 76 4.587 4.709 -0.122 1
1 703 . 5 1 1 A 76 76 ASP CA C 76 51.849 53.128 -1.279 1
1 704 . 5 1 1 A 76 76 ASP CB C 76 36.265 39.195 -2.930 1
1 705 . 5 1 1 A 76 76 ASP N N 76 114.297 116.893 -2.596 1
1 706 . 5 1 1 A 77 77 MET H H 77 8.077 8.468 -0.391 1
1 707 . 5 1 1 A 77 77 MET HA H 77 3.867 4.125 -0.258 1
1 715 . 5 1 1 A 77 77 MET CA C 77 59.024 58.950 0.074 1
1 716 . 5 1 1 A 77 77 MET CB C 77 34.550 33.283 1.267 1
1 719 . 5 1 1 A 77 77 MET N N 77 123.959 123.856 0.103 1
1 720 . 5 1 1 A 78 78 ASN H H 78 7.801 8.102 -0.301 1
1 721 . 5 1 1 A 78 78 ASN HA H 78 4.839 4.695 0.144 1
1 726 . 5 1 1 A 78 78 ASN CA C 78 50.889 52.736 -1.847 1
1 727 . 5 1 1 A 78 78 ASN CB C 78 37.028 38.225 -1.197 1
1 728 . 5 1 1 A 78 78 ASN N N 78 112.247 113.917 -1.670 1
1 730 . 5 1 1 A 79 79 ASN H H 79 8.019 8.170 -0.151 1
1 731 . 5 1 1 A 79 79 ASN HA H 79 4.380 5.141 -0.761 1
1 736 . 5 1 1 A 79 79 ASN CA C 79 54.319 53.922 0.397 1
1 737 . 5 1 1 A 79 79 ASN CB C 79 37.867 36.840 1.027 1
1 738 . 5 1 1 A 79 79 ASN N N 79 116.050 117.372 -1.322 1
1 740 . 5 1 1 A 80 80 ASP H H 80 8.019 8.443 -0.424 1
1 741 . 5 1 1 A 80 80 ASP HA H 80 4.784 4.808 -0.024 1
1 744 . 5 1 1 A 80 80 ASP CA C 80 52.672 54.252 -1.580 1
1 745 . 5 1 1 A 80 80 ASP CB C 80 41.585 41.646 -0.061 1
1 746 . 5 1 1 A 80 80 ASP N N 80 115.620 122.453 -6.833 1
1 747 . 5 1 1 A 81 81 GLY H H 81 10.345 7.879 2.466 1
1 748 . 5 1 1 A 81 81 GLY HA2 H 81 4.339 4.151 0.188 1
1 749 . 5 1 1 A 81 81 GLY HA3 H 81 4.044 4.313 -0.269 1
1 750 . 5 1 1 A 81 81 GLY CA C 81 46.560 45.762 0.798 1
1 751 . 5 1 1 A 81 81 GLY N N 81 112.191 107.382 4.809 1
1 752 . 5 1 1 A 82 82 ARG H H 82 8.365 8.125 0.240 1
1 753 . 5 1 1 A 82 82 ARG HA H 82 5.105 4.551 0.554 1
1 760 . 5 1 1 A 82 82 ARG CA C 82 53.982 55.977 -1.995 1
1 761 . 5 1 1 A 82 82 ARG CB C 82 33.303 32.275 1.028 1
1 764 . 5 1 1 A 82 82 ARG N N 82 117.518 118.659 -1.141 1
1 765 . 5 1 1 A 83 83 MET H H 83 9.038 8.111 0.927 1
1 766 . 5 1 1 A 83 83 MET HA H 83 6.142 4.644 1.498 1
1 774 . 5 1 1 A 83 83 MET CA C 83 55.586 55.453 0.133 1
1 775 . 5 1 1 A 83 83 MET CB C 83 38.610 32.686 5.924 1
1 778 . 5 1 1 A 83 83 MET N N 83 120.510 118.600 1.910 1
1 779 . 5 1 1 A 84 84 ASP H H 84 7.586 8.571 -0.985 1
1 780 . 5 1 1 A 84 84 ASP HA H 84 5.259 4.975 0.284 1
1 783 . 5 1 1 A 84 84 ASP CA C 84 51.182 52.582 -1.400 1
1 784 . 5 1 1 A 84 84 ASP CB C 84 42.047 42.753 -0.706 1
1 785 . 5 1 1 A 84 84 ASP N N 84 122.321 118.435 3.886 1
1 786 . 5 1 1 A 85 85 GLN H H 85 7.988 8.845 -0.857 1
1 787 . 5 1 1 A 85 85 GLN HA H 85 2.609 3.928 -1.319 1
1 794 . 5 1 1 A 85 85 GLN CA C 85 58.909 58.388 0.521 1
1 795 . 5 1 1 A 85 85 GLN CB C 85 29.346 28.089 1.257 1
1 797 . 5 1 1 A 85 85 GLN N N 85 115.617 118.248 -2.631 1
1 799 . 5 1 1 A 86 86 VAL H H 86 7.357 8.318 -0.961 1
1 800 . 5 1 1 A 86 86 VAL HA H 86 3.557 3.534 0.023 1
1 808 . 5 1 1 A 86 86 VAL CA C 86 66.117 66.696 -0.579 1
1 809 . 5 1 1 A 86 86 VAL CB C 86 31.538 31.759 -0.221 1
1 812 . 5 1 1 A 86 86 VAL N N 86 120.551 121.057 -0.506 1
1 813 . 5 1 1 A 87 87 GLU H H 87 8.375 8.213 0.162 1
1 814 . 5 1 1 A 87 87 GLU HA H 87 3.908 4.130 -0.222 1
1 819 . 5 1 1 A 87 87 GLU CA C 87 59.424 59.614 -0.190 1
1 820 . 5 1 1 A 87 87 GLU CB C 87 31.466 29.411 2.055 1
1 822 . 5 1 1 A 87 87 GLU N N 87 119.417 119.302 0.115 1
1 823 . 5 1 1 A 88 88 PHE H H 88 8.482 8.785 -0.303 1
1 824 . 5 1 1 A 88 88 PHE HA H 88 4.427 4.180 0.247 1
1 828 . 5 1 1 A 88 88 PHE CA C 88 62.061 61.104 0.957 1
1 829 . 5 1 1 A 88 88 PHE CB C 88 40.726 38.972 1.754 1
1 831 . 5 1 1 A 88 88 PHE N N 88 117.094 122.489 -5.395 1
1 832 . 5 1 1 A 89 89 SER H H 89 7.490 8.097 -0.607 1
1 833 . 5 1 1 A 89 89 SER HA H 89 4.763 4.008 0.755 1
1 836 . 5 1 1 A 89 89 SER CA C 89 59.783 61.344 -1.561 1
1 837 . 5 1 1 A 89 89 SER CB C 89 59.544 63.102 -3.558 1
1 838 . 5 1 1 A 89 89 SER N N 89 113.424 113.362 0.062 1
1 839 . 5 1 1 A 90 90 ILE H H 90 8.034 7.942 0.092 1
1 840 . 5 1 1 A 90 90 ILE HA H 90 3.506 3.802 -0.296 1
1 850 . 5 1 1 A 90 90 ILE CA C 90 66.098 63.483 2.615 1
1 851 . 5 1 1 A 90 90 ILE CB C 90 37.905 37.590 0.315 1
1 855 . 5 1 1 A 90 90 ILE N N 90 118.472 121.374 -2.902 1
1 856 . 5 1 1 A 91 91 ALA H H 91 8.197 7.689 0.508 1
1 857 . 5 1 1 A 91 91 ALA HA H 91 4.286 3.985 0.301 1
1 861 . 5 1 1 A 91 91 ALA CA C 91 52.435 54.953 -2.518 1
1 862 . 5 1 1 A 91 91 ALA CB C 91 19.091 17.922 1.169 1
1 863 . 5 1 1 A 91 91 ALA N N 91 119.275 123.809 -4.534 1
1 864 . 5 1 1 A 92 92 MET H H 92 8.183 7.065 1.118 1
1 865 . 5 1 1 A 92 92 MET HA H 92 4.268 4.137 0.131 1
1 870 . 5 1 1 A 92 92 MET CA C 92 55.643 56.496 -0.853 1
1 871 . 5 1 1 A 92 92 MET CB C 92 29.521 31.610 -2.089 1
1 873 . 5 1 1 A 92 92 MET N N 92 118.681 115.231 3.450 1
1 874 . 5 1 1 A 93 93 LYS H H 93 8.172 7.771 0.401 1
1 875 . 5 1 1 A 93 93 LYS HA H 93 4.006 4.319 -0.313 1
1 878 . 5 1 1 A 93 93 LYS CA C 93 56.840 57.807 -0.967 1
1 879 . 5 1 1 A 93 93 LYS CB C 93 32.830 33.177 -0.347 1
1 880 . 5 1 1 A 93 93 LYS N N 93 120.362 116.109 4.253 1
1 881 . 5 1 1 A 94 94 LEU H H 94 8.017 7.632 0.385 1
1 882 . 5 1 1 A 94 94 LEU HA H 94 3.884 4.076 -0.192 1
1 892 . 5 1 1 A 94 94 LEU CA C 94 58.234 57.384 0.850 1
1 893 . 5 1 1 A 94 94 LEU CB C 94 42.050 41.999 0.051 1
1 897 . 5 1 1 A 94 94 LEU N N 94 114.192 121.263 -7.071 1
1 898 . 5 1 1 A 95 95 ILE H H 95 8.377 7.563 0.814 1
1 899 . 5 1 1 A 95 95 ILE HA H 95 3.254 3.456 -0.202 1
1 909 . 5 1 1 A 95 95 ILE CA C 95 66.013 65.777 0.236 1
1 910 . 5 1 1 A 95 95 ILE CB C 95 38.284 37.995 0.289 1
1 914 . 5 1 1 A 95 95 ILE N N 95 118.949 119.165 -0.216 1
1 915 . 5 1 1 A 96 96 LYS H H 96 7.751 8.145 -0.394 1
1 916 . 5 1 1 A 96 96 LYS HA H 96 3.928 4.056 -0.128 1
1 925 . 5 1 1 A 96 96 LYS CA C 96 59.701 60.163 -0.462 1
1 926 . 5 1 1 A 96 96 LYS CB C 96 32.286 32.140 0.146 1
1 930 . 5 1 1 A 96 96 LYS N N 96 119.637 121.132 -1.495 1
1 931 . 5 1 1 A 97 97 LEU H H 97 8.382 7.885 0.497 1
1 932 . 5 1 1 A 97 97 LEU HA H 97 4.006 3.990 0.016 1
1 942 . 5 1 1 A 97 97 LEU CA C 97 57.363 57.781 -0.418 1
1 943 . 5 1 1 A 97 97 LEU CB C 97 40.459 41.324 -0.865 1
1 947 . 5 1 1 A 97 97 LEU N N 97 117.727 120.736 -3.009 1
1 948 . 5 1 1 A 98 98 LYS H H 98 8.761 8.530 0.231 1
1 949 . 5 1 1 A 98 98 LYS HA H 98 4.548 4.134 0.414 1
1 958 . 5 1 1 A 98 98 LYS CA C 98 57.477 59.328 -1.851 1
1 959 . 5 1 1 A 98 98 LYS CB C 98 31.294 31.898 -0.604 1
1 963 . 5 1 1 A 98 98 LYS N N 98 122.255 119.018 3.237 1
1 964 . 5 1 1 A 99 99 LEU H H 99 8.798 8.243 0.555 1
1 965 . 5 1 1 A 99 99 LEU HA H 99 4.100 4.134 -0.034 1
1 975 . 5 1 1 A 99 99 LEU CA C 99 57.878 56.814 1.064 1
1 976 . 5 1 1 A 99 99 LEU CB C 99 41.605 41.641 -0.036 1
1 980 . 5 1 1 A 99 99 LEU N N 99 122.214 119.898 2.316 1
1 981 . 5 1 1 A 100 100 GLN H H 100 7.749 7.558 0.191 1
1 982 . 5 1 1 A 100 100 GLN HA H 100 4.285 4.407 -0.122 1
1 989 . 5 1 1 A 100 100 GLN CA C 100 56.503 55.534 0.969 1
1 990 . 5 1 1 A 100 100 GLN CB C 100 29.576 29.580 -0.004 1
1 992 . 5 1 1 A 100 100 GLN N N 100 116.914 116.894 0.020 1
1 993 . 5 1 1 A 101 101 GLY H H 101 7.910 8.624 -0.714 1
1 994 . 5 1 1 A 101 101 GLY HA2 H 101 4.262 3.764 0.498 1
1 995 . 5 1 1 A 101 101 GLY HA3 H 101 3.661 3.864 -0.203 1
1 996 . 5 1 1 A 101 101 GLY CA C 101 44.884 46.227 -1.343 1
1 997 . 5 1 1 A 101 101 GLY N N 101 106.044 107.943 -1.899 1
1 998 . 5 1 1 A 102 102 TYR H H 102 8.078 8.070 0.008 1
1 999 . 5 1 1 A 102 102 TYR HA H 102 4.311 5.121 -0.810 1
1 1006 . 5 1 1 A 102 102 TYR CA C 102 59.253 56.575 2.678 1
1 1007 . 5 1 1 A 102 102 TYR CB C 102 37.849 43.297 -5.448 1
1 1010 . 5 1 1 A 102 102 TYR N N 102 120.876 118.645 2.231 1
1 1011 . 5 1 1 A 103 103 GLN H H 103 8.610 9.178 -0.568 1
1 1012 . 5 1 1 A 103 103 GLN HA H 103 4.280 5.334 -1.054 1
1 1015 . 5 1 1 A 103 103 GLN CA C 103 56.620 54.617 2.003 1
1 1016 . 5 1 1 A 103 103 GLN CB C 103 29.100 32.943 -3.843 1
1 1017 . 5 1 1 A 103 103 GLN N N 103 119.785 118.718 1.067 1
1 1018 . 5 1 1 A 105 105 PRO HA H 105 4.631 4.585 0.046 1
1 1025 . 5 1 1 A 105 105 PRO CA C 105 61.602 62.610 -1.008 1
1 1026 . 5 1 1 A 105 105 PRO CB C 105 31.690 33.151 -1.461 1
1 1029 . 5 1 1 A 106 106 SER H H 106 8.485 8.524 -0.039 1
1 1030 . 5 1 1 A 106 106 SER HA H 106 4.183 4.168 0.015 1
1 1033 . 5 1 1 A 106 106 SER CA C 106 59.525 58.836 0.689 1
1 1034 . 5 1 1 A 106 106 SER CB C 106 63.078 63.118 -0.040 1
1 1035 . 5 1 1 A 106 106 SER N N 106 112.361 113.379 -1.018 1
1 1036 . 5 1 1 A 107 107 ALA H H 107 7.410 7.466 -0.056 1
1 1037 . 5 1 1 A 107 107 ALA HA H 107 4.308 4.500 -0.192 1
1 1041 . 5 1 1 A 107 107 ALA CA C 107 50.086 51.188 -1.102 1
1 1042 . 5 1 1 A 107 107 ALA CB C 107 21.253 19.709 1.544 1
1 1043 . 5 1 1 A 107 107 ALA N N 107 121.311 125.410 -4.099 1
1 1044 . 5 1 1 A 108 108 LEU H H 108 8.915 8.683 0.232 1
1 1045 . 5 1 1 A 108 108 LEU HA H 108 4.020 4.488 -0.468 1
1 1055 . 5 1 1 A 108 108 LEU CA C 108 52.990 53.498 -0.508 1
1 1056 . 5 1 1 A 108 108 LEU CB C 108 42.041 41.359 0.682 1
1 1060 . 5 1 1 A 108 108 LEU N N 108 122.607 124.660 -2.053 1
1 1061 . 5 1 1 A 110 110 PRO HA H 110 4.024 4.341 -0.317 1
1 1068 . 5 1 1 A 110 110 PRO CA C 110 65.440 64.774 0.666 1
1 1069 . 5 1 1 A 110 110 PRO CB C 110 31.638 31.743 -0.105 1
1 1072 . 5 1 1 A 111 111 VAL H H 111 8.118 7.201 0.917 1
1 1073 . 5 1 1 A 111 111 VAL HA H 111 3.986 3.873 0.113 1
1 1081 . 5 1 1 A 111 111 VAL CA C 111 63.779 65.191 -1.412 1
1 1082 . 5 1 1 A 111 111 VAL CB C 111 31.065 31.535 -0.470 1
1 1085 . 5 1 1 A 111 111 VAL N N 111 115.605 116.495 -0.890 1
1 1086 . 5 1 1 A 112 112 MET H H 112 7.908 8.128 -0.220 1
1 1087 . 5 1 1 A 112 112 MET HA H 112 4.160 4.133 0.027 1
1 1095 . 5 1 1 A 112 112 MET CA C 112 59.098 58.901 0.197 1
1 1096 . 5 1 1 A 112 112 MET CB C 112 34.024 32.649 1.375 1
1 1099 . 5 1 1 A 112 112 MET N N 112 118.943 117.655 1.288 1
1 1100 . 5 1 1 A 113 113 LYS H H 113 7.330 7.798 -0.468 1
1 1101 . 5 1 1 A 113 113 LYS HA H 113 4.182 4.342 -0.160 1
1 1110 . 5 1 1 A 113 113 LYS CA C 113 55.987 57.169 -1.182 1
1 1111 . 5 1 1 A 113 113 LYS CB C 113 32.841 32.469 0.372 1
1 1115 . 5 1 1 A 113 113 LYS N N 113 112.617 115.112 -2.495 1
1 1116 . 5 1 1 A 114 114 GLN H H 114 7.114 7.711 -0.597 1
1 1117 . 5 1 1 A 114 114 GLN HA H 114 4.309 4.348 -0.039 1
1 1124 . 5 1 1 A 114 114 GLN CA C 114 54.956 58.075 -3.119 1
1 1125 . 5 1 1 A 114 114 GLN CB C 114 29.241 27.604 1.637 1
1 1127 . 5 1 1 A 114 114 GLN N N 114 117.852 115.816 2.036 1
1 1129 . 5 1 1 A 115 115 GLN H H 115 8.556 8.426 0.130 1
1 1130 . 5 1 1 A 115 115 GLN HA H 115 4.501 4.907 -0.406 1
1 1137 . 5 1 1 A 115 115 GLN CA C 115 53.858 52.573 1.285 1
1 1138 . 5 1 1 A 115 115 GLN CB C 115 28.234 30.669 -2.435 1
1 1140 . 5 1 1 A 115 115 GLN N N 115 123.195 122.063 1.132 1
1 1142 . 5 1 1 A 116 116 PRO HA H 116 4.530 4.384 0.146 1
1 1149 . 5 1 1 A 116 116 PRO CA C 116 63.050 63.324 -0.274 1
1 1150 . 5 1 1 A 116 116 PRO CB C 116 31.953 31.868 0.085 1
1 1153 . 5 1 1 A 117 117 VAL H H 117 8.345 8.251 0.094 1
1 1154 . 5 1 1 A 117 117 VAL HA H 117 4.167 4.374 -0.207 1
1 1162 . 5 1 1 A 117 117 VAL CA C 117 61.258 61.267 -0.009 1
1 1163 . 5 1 1 A 117 117 VAL CB C 117 33.724 32.128 1.596 1
1 1166 . 5 1 1 A 117 117 VAL N N 117 120.361 117.995 2.366 1
1 1167 . 5 1 1 A 118 118 ALA H H 118 8.470 8.348 0.122 1
1 1168 . 5 1 1 A 118 118 ALA HA H 118 4.452 4.581 -0.129 1
1 1172 . 5 1 1 A 118 118 ALA CA C 118 51.678 51.496 0.182 1
1 1173 . 5 1 1 A 118 118 ALA CB C 118 19.260 19.519 -0.259 1
1 1174 . 5 1 1 A 118 118 ALA N N 118 128.412 128.189 0.223 1
1 1175 . 5 1 1 A 119 119 ILE H H 119 8.250 7.660 0.590 1
1 1176 . 5 1 1 A 119 119 ILE HA H 119 4.240 4.129 0.111 1
1 1186 . 5 1 1 A 119 119 ILE CA C 119 60.743 62.499 -1.756 1
1 1187 . 5 1 1 A 119 119 ILE CB C 119 38.914 38.029 0.885 1
1 1191 . 5 1 1 A 119 119 ILE N N 119 120.929 121.554 -0.625 1
1 1192 . 5 1 1 A 120 120 SER H H 120 8.413 8.874 -0.461 1
1 1193 . 5 1 1 A 120 120 SER HA H 120 4.543 4.908 -0.365 1
1 1196 . 5 1 1 A 120 120 SER CA C 120 57.878 57.427 0.451 1
1 1197 . 5 1 1 A 120 120 SER CB C 120 63.951 67.283 -3.332 1
1 1198 . 5 1 1 A 120 120 SER N N 120 120.494 126.107 -5.613 1
1 1 . 6 1 1 A 12 12 ALA H H 12 8.223 8.650 -0.427 1
1 2 . 6 1 1 A 12 12 ALA HA H 12 4.220 4.624 -0.404 1
1 6 . 6 1 1 A 12 12 ALA CA C 12 52.323 50.475 1.848 1
1 7 . 6 1 1 A 12 12 ALA CB C 12 19.015 20.869 -1.854 1
1 8 . 6 1 1 A 12 12 ALA N N 12 124.624 123.861 0.763 1
1 9 . 6 1 1 A 13 13 GLN H H 13 8.220 8.386 -0.166 1
1 10 . 6 1 1 A 13 13 GLN HA H 13 4.292 4.942 -0.650 1
1 13 . 6 1 1 A 13 13 GLN CA C 13 55.457 54.321 1.136 1
1 14 . 6 1 1 A 13 13 GLN CB C 13 29.804 31.437 -1.633 1
1 15 . 6 1 1 A 13 13 GLN N N 13 119.119 116.828 2.291 1
1 16 . 6 1 1 A 14 14 PHE H H 14 8.109 9.034 -0.925 1
1 17 . 6 1 1 A 14 14 PHE HA H 14 4.559 4.813 -0.254 1
1 20 . 6 1 1 A 14 14 PHE CA C 14 58.250 55.552 2.698 1
1 21 . 6 1 1 A 14 14 PHE CB C 14 39.950 38.433 1.517 1
1 22 . 6 1 1 A 14 14 PHE N N 14 121.712 122.024 -0.312 1
1 23 . 6 1 1 A 15 15 PRO HA H 15 4.492 4.598 -0.106 1
1 30 . 6 1 1 A 15 15 PRO CA C 15 63.047 62.310 0.737 1
1 31 . 6 1 1 A 15 15 PRO CB C 15 31.810 33.335 -1.525 1
1 34 . 6 1 1 A 16 16 THR H H 16 8.197 8.544 -0.347 1
1 35 . 6 1 1 A 16 16 THR HA H 16 4.614 4.484 0.130 1
1 40 . 6 1 1 A 16 16 THR CA C 16 59.526 60.156 -0.630 1
1 41 . 6 1 1 A 16 16 THR CB C 16 69.603 69.473 0.130 1
1 43 . 6 1 1 A 16 16 THR N N 16 115.700 116.173 -0.473 1
1 44 . 6 1 1 A 17 17 PRO HA H 17 4.360 4.671 -0.311 1
1 51 . 6 1 1 A 17 17 PRO CA C 17 63.321 62.313 1.008 1
1 52 . 6 1 1 A 17 17 PRO CB C 17 31.680 29.253 2.427 1
1 55 . 6 1 1 A 18 18 PHE H H 18 8.212 8.810 -0.598 1
1 56 . 6 1 1 A 18 18 PHE HA H 18 4.589 4.976 -0.387 1
1 64 . 6 1 1 A 18 18 PHE CA C 18 57.648 55.965 1.683 1
1 65 . 6 1 1 A 18 18 PHE CB C 18 39.165 42.304 -3.139 1
1 69 . 6 1 1 A 18 18 PHE N N 18 119.185 123.719 -4.534 1
1 70 . 6 1 1 A 19 19 GLY H H 19 8.250 8.829 -0.579 1
1 71 . 6 1 1 A 19 19 GLY HA2 H 19 3.943 4.175 -0.232 1
1 72 . 6 1 1 A 19 19 GLY HA3 H 19 3.935 4.209 -0.274 1
1 73 . 6 1 1 A 19 19 GLY CA C 19 45.100 44.626 0.474 1
1 74 . 6 1 1 A 19 19 GLY N N 19 110.566 111.235 -0.669 1
1 75 . 6 1 1 A 20 20 GLY H H 20 7.873 8.279 -0.406 1
1 76 . 6 1 1 A 20 20 GLY HA2 H 20 3.964 4.002 -0.038 1
1 77 . 6 1 1 A 20 20 GLY HA3 H 20 3.955 4.010 -0.055 1
1 78 . 6 1 1 A 20 20 GLY CA C 20 45.056 45.340 -0.284 1
1 79 . 6 1 1 A 20 20 GLY N N 20 108.171 108.428 -0.257 1
1 80 . 6 1 1 A 21 21 SER H H 21 8.274 8.007 0.267 1
1 81 . 6 1 1 A 21 21 SER HA H 21 4.523 4.626 -0.103 1
1 84 . 6 1 1 A 21 21 SER CA C 21 57.951 58.248 -0.297 1
1 85 . 6 1 1 A 21 21 SER CB C 21 63.946 64.967 -1.021 1
1 86 . 6 1 1 A 21 21 SER N N 21 115.180 116.638 -1.458 1
1 87 . 6 1 1 A 22 22 LEU H H 22 8.435 8.575 -0.140 1
1 88 . 6 1 1 A 22 22 LEU HA H 22 4.302 5.154 -0.852 1
1 98 . 6 1 1 A 22 22 LEU CA C 22 55.846 53.546 2.300 1
1 99 . 6 1 1 A 22 22 LEU CB C 22 42.229 44.464 -2.235 1
1 103 . 6 1 1 A 22 22 LEU N N 22 123.998 123.648 0.350 1
1 104 . 6 1 1 A 23 23 ASP H H 23 8.291 8.515 -0.224 1
1 105 . 6 1 1 A 23 23 ASP HA H 23 4.494 5.059 -0.565 1
1 108 . 6 1 1 A 23 23 ASP CA C 23 54.981 53.369 1.612 1
1 109 . 6 1 1 A 23 23 ASP CB C 23 41.190 43.235 -2.045 1
1 110 . 6 1 1 A 23 23 ASP N N 23 120.385 121.932 -1.547 1
1 111 . 6 1 1 A 24 24 THR H H 24 8.010 8.999 -0.989 1
1 112 . 6 1 1 A 24 24 THR HA H 24 3.770 4.018 -0.248 1
1 117 . 6 1 1 A 24 24 THR CA C 24 64.590 65.220 -0.630 1
1 118 . 6 1 1 A 24 24 THR CB C 24 69.620 68.629 0.991 1
1 120 . 6 1 1 A 24 24 THR N N 24 117.799 120.693 -2.894 1
1 121 . 6 1 1 A 25 25 TRP H H 25 7.780 7.391 0.389 1
1 122 . 6 1 1 A 25 25 TRP HA H 25 4.012 4.582 -0.570 1
1 131 . 6 1 1 A 25 25 TRP CA C 25 57.837 58.379 -0.542 1
1 132 . 6 1 1 A 25 25 TRP CB C 25 28.842 29.810 -0.968 1
1 138 . 6 1 1 A 25 25 TRP N N 25 118.659 118.034 0.625 1
1 140 . 6 1 1 A 26 26 ALA H H 26 7.101 7.823 -0.722 1
1 141 . 6 1 1 A 26 26 ALA HA H 26 3.949 4.380 -0.431 1
1 145 . 6 1 1 A 26 26 ALA CA C 26 52.102 53.302 -1.200 1
1 146 . 6 1 1 A 26 26 ALA CB C 26 18.840 19.239 -0.399 1
1 147 . 6 1 1 A 26 26 ALA N N 26 117.054 122.015 -4.961 1
1 148 . 6 1 1 A 27 27 ILE H H 27 8.687 9.206 -0.519 1
1 149 . 6 1 1 A 27 27 ILE HA H 27 4.332 4.538 -0.206 1
1 159 . 6 1 1 A 27 27 ILE CA C 27 61.430 60.508 0.922 1
1 160 . 6 1 1 A 27 27 ILE CB C 27 38.550 38.067 0.483 1
1 164 . 6 1 1 A 27 27 ILE N N 27 125.107 123.935 1.172 1
1 165 . 6 1 1 A 28 28 THR H H 28 8.981 9.079 -0.098 1
1 166 . 6 1 1 A 28 28 THR HA H 28 4.760 4.389 0.371 1
1 171 . 6 1 1 A 28 28 THR CA C 28 60.685 61.525 -0.840 1
1 172 . 6 1 1 A 28 28 THR CB C 28 71.252 69.726 1.526 1
1 174 . 6 1 1 A 28 28 THR N N 28 118.938 122.301 -3.363 1
1 175 . 6 1 1 A 29 29 VAL H H 29 8.612 8.784 -0.172 1
1 176 . 6 1 1 A 29 29 VAL HA H 29 3.532 3.699 -0.167 1
1 184 . 6 1 1 A 29 29 VAL CA C 29 66.349 66.571 -0.222 1
1 185 . 6 1 1 A 29 29 VAL CB C 29 31.799 31.554 0.245 1
1 188 . 6 1 1 A 29 29 VAL N N 29 119.411 123.676 -4.265 1
1 189 . 6 1 1 A 30 30 GLU H H 30 8.432 8.140 0.292 1
1 190 . 6 1 1 A 30 30 GLU HA H 30 4.011 4.031 -0.020 1
1 195 . 6 1 1 A 30 30 GLU CA C 30 59.597 59.748 -0.151 1
1 196 . 6 1 1 A 30 30 GLU CB C 30 28.912 28.864 0.048 1
1 198 . 6 1 1 A 30 30 GLU N N 30 119.890 120.010 -0.120 1
1 199 . 6 1 1 A 31 31 GLU H H 31 7.737 8.420 -0.683 1
1 200 . 6 1 1 A 31 31 GLU HA H 31 3.604 4.127 -0.523 1
1 205 . 6 1 1 A 31 31 GLU CA C 31 58.718 59.121 -0.403 1
1 206 . 6 1 1 A 31 31 GLU CB C 31 30.666 29.114 1.552 1
1 208 . 6 1 1 A 31 31 GLU N N 31 120.821 117.737 3.084 1
1 209 . 6 1 1 A 32 32 ARG H H 32 8.382 8.092 0.290 1
1 210 . 6 1 1 A 32 32 ARG HA H 32 3.998 4.131 -0.133 1
1 213 . 6 1 1 A 32 32 ARG CA C 32 57.356 59.286 -1.930 1
1 214 . 6 1 1 A 32 32 ARG CB C 32 28.870 30.212 -1.342 1
1 215 . 6 1 1 A 32 32 ARG N N 32 117.523 120.596 -3.073 1
1 216 . 6 1 1 A 33 33 ALA H H 33 7.919 8.273 -0.354 1
1 217 . 6 1 1 A 33 33 ALA HA H 33 4.248 4.169 0.079 1
1 221 . 6 1 1 A 33 33 ALA CA C 33 55.007 55.016 -0.009 1
1 222 . 6 1 1 A 33 33 ALA CB C 33 17.601 18.288 -0.687 1
1 223 . 6 1 1 A 33 33 ALA N N 33 119.982 120.766 -0.784 1
1 224 . 6 1 1 A 34 34 LYS H H 34 7.212 8.298 -1.086 1
1 225 . 6 1 1 A 34 34 LYS HA H 34 4.194 4.163 0.031 1
1 234 . 6 1 1 A 34 34 LYS CA C 34 58.852 58.642 0.210 1
1 235 . 6 1 1 A 34 34 LYS CB C 34 31.598 32.214 -0.616 1
1 239 . 6 1 1 A 34 34 LYS N N 34 119.567 118.097 1.470 1
1 240 . 6 1 1 A 35 35 HIS H H 35 8.814 8.392 0.422 1
1 241 . 6 1 1 A 35 35 HIS HA H 35 4.923 4.490 0.433 1
1 244 . 6 1 1 A 35 35 HIS CA C 35 57.821 59.332 -1.511 1
1 245 . 6 1 1 A 35 35 HIS CB C 35 29.950 28.659 1.291 1
1 246 . 6 1 1 A 35 35 HIS N N 35 122.252 117.732 4.520 1
1 247 . 6 1 1 A 36 36 ASP H H 36 9.292 8.005 1.287 1
1 248 . 6 1 1 A 36 36 ASP HA H 36 4.454 3.656 0.798 1
1 251 . 6 1 1 A 36 36 ASP CA C 36 57.305 57.314 -0.009 1
1 252 . 6 1 1 A 36 36 ASP CB C 36 39.889 41.273 -1.384 1
1 253 . 6 1 1 A 36 36 ASP N N 36 118.831 122.008 -3.177 1
1 254 . 6 1 1 A 37 37 GLN H H 37 7.673 7.873 -0.200 1
1 255 . 6 1 1 A 37 37 GLN HA H 37 4.241 3.978 0.263 1
1 262 . 6 1 1 A 37 37 GLN CA C 37 59.019 59.217 -0.198 1
1 263 . 6 1 1 A 37 37 GLN CB C 37 28.315 28.312 0.003 1
1 265 . 6 1 1 A 37 37 GLN N N 37 120.072 119.219 0.853 1
1 266 . 6 1 1 A 38 38 GLN H H 38 8.329 7.994 0.335 1
1 267 . 6 1 1 A 38 38 GLN HA H 38 4.040 4.284 -0.244 1
1 274 . 6 1 1 A 38 38 GLN CA C 38 58.734 59.040 -0.306 1
1 275 . 6 1 1 A 38 38 GLN CB C 38 28.549 28.853 -0.304 1
1 277 . 6 1 1 A 38 38 GLN N N 38 120.847 118.477 2.370 1
1 279 . 6 1 1 A 39 39 PHE H H 39 9.453 8.531 0.922 1
1 280 . 6 1 1 A 39 39 PHE HA H 39 2.811 3.751 -0.940 1
1 286 . 6 1 1 A 39 39 PHE CA C 39 61.602 60.448 1.154 1
1 287 . 6 1 1 A 39 39 PHE CB C 39 38.799 38.439 0.360 1
1 291 . 6 1 1 A 39 39 PHE N N 39 123.507 123.393 0.114 1
1 292 . 6 1 1 A 40 40 HIS H H 40 8.096 8.369 -0.273 1
1 293 . 6 1 1 A 40 40 HIS HA H 40 3.884 4.142 -0.258 1
1 297 . 6 1 1 A 40 40 HIS CA C 40 59.910 59.880 0.030 1
1 298 . 6 1 1 A 40 40 HIS CB C 40 29.558 29.434 0.124 1
1 300 . 6 1 1 A 40 40 HIS N N 40 114.319 118.540 -4.221 1
1 301 . 6 1 1 A 41 41 SER H H 41 7.818 7.989 -0.171 1
1 302 . 6 1 1 A 41 41 SER HA H 41 4.300 4.309 -0.009 1
1 305 . 6 1 1 A 41 41 SER CA C 41 60.851 61.914 -1.063 1
1 306 . 6 1 1 A 41 41 SER CB C 41 62.612 63.287 -0.675 1
1 307 . 6 1 1 A 41 41 SER N N 41 116.677 115.777 0.900 1
1 308 . 6 1 1 A 42 42 LEU H H 42 7.079 7.445 -0.366 1
1 309 . 6 1 1 A 42 42 LEU HA H 42 4.071 4.403 -0.332 1
1 319 . 6 1 1 A 42 42 LEU CA C 42 54.685 55.893 -1.208 1
1 320 . 6 1 1 A 42 42 LEU CB C 42 40.874 42.590 -1.716 1
1 324 . 6 1 1 A 42 42 LEU N N 42 121.868 121.649 0.219 1
1 325 . 6 1 1 A 43 43 LYS H H 43 7.345 7.498 -0.153 1
1 326 . 6 1 1 A 43 43 LYS HA H 43 3.877 3.823 0.054 1
1 335 . 6 1 1 A 43 43 LYS CA C 43 56.035 56.608 -0.573 1
1 336 . 6 1 1 A 43 43 LYS CB C 43 28.886 30.335 -1.449 1
1 340 . 6 1 1 A 43 43 LYS N N 43 110.393 117.386 -6.993 1
1 341 . 6 1 1 A 44 44 PRO HA H 44 4.239 4.373 -0.134 1
1 348 . 6 1 1 A 44 44 PRO CA C 44 62.424 62.607 -0.183 1
1 349 . 6 1 1 A 44 44 PRO CB C 44 32.413 32.142 0.271 1
1 352 . 6 1 1 A 45 45 ILE H H 45 8.586 8.343 0.243 1
1 353 . 6 1 1 A 45 45 ILE HA H 45 4.337 3.940 0.397 1
1 363 . 6 1 1 A 45 45 ILE CA C 45 60.170 63.498 -3.328 1
1 364 . 6 1 1 A 45 45 ILE CB C 45 39.143 38.434 0.709 1
1 368 . 6 1 1 A 45 45 ILE N N 45 120.985 121.815 -0.830 1
1 369 . 6 1 1 A 46 46 SER H H 46 9.512 7.922 1.590 1
1 370 . 6 1 1 A 46 46 SER HA H 46 4.055 4.664 -0.609 1
1 373 . 6 1 1 A 46 46 SER CA C 46 58.483 57.672 0.811 1
1 374 . 6 1 1 A 46 46 SER CB C 46 62.174 63.980 -1.806 1
1 375 . 6 1 1 A 46 46 SER N N 46 124.158 110.779 13.379 1
1 376 . 6 1 1 A 47 47 GLY H H 47 8.555 8.331 0.224 1
1 377 . 6 1 1 A 47 47 GLY HA2 H 47 4.020 3.663 0.357 1
1 378 . 6 1 1 A 47 47 GLY HA3 H 47 3.531 3.840 -0.309 1
1 379 . 6 1 1 A 47 47 GLY CA C 47 44.328 45.387 -1.059 1
1 380 . 6 1 1 A 47 47 GLY N N 47 162.194 109.464 52.730 1
1 381 . 6 1 1 A 48 48 PHE H H 48 7.710 8.142 -0.432 1
1 382 . 6 1 1 A 48 48 PHE HA H 48 5.783 5.248 0.535 1
1 387 . 6 1 1 A 48 48 PHE CA C 48 56.732 56.835 -0.103 1
1 388 . 6 1 1 A 48 48 PHE CB C 48 43.784 43.264 0.520 1
1 391 . 6 1 1 A 48 48 PHE N N 48 115.641 118.554 -2.913 1
1 392 . 6 1 1 A 49 49 ILE H H 49 9.141 9.172 -0.031 1
1 393 . 6 1 1 A 49 49 ILE HA H 49 4.908 5.204 -0.296 1
1 403 . 6 1 1 A 49 49 ILE CA C 49 59.368 59.103 0.265 1
1 404 . 6 1 1 A 49 49 ILE CB C 49 39.945 42.438 -2.493 1
1 408 . 6 1 1 A 49 49 ILE N N 49 114.692 117.457 -2.765 1
1 409 . 6 1 1 A 50 50 THR H H 50 8.700 8.470 0.230 1
1 410 . 6 1 1 A 50 50 THR HA H 50 4.473 4.889 -0.416 1
1 415 . 6 1 1 A 50 50 THR CA C 50 60.914 59.717 1.197 1
1 416 . 6 1 1 A 50 50 THR CB C 50 70.829 70.902 -0.073 1
1 418 . 6 1 1 A 50 50 THR N N 50 112.658 114.969 -2.311 1
1 419 . 6 1 1 A 51 51 GLY H H 51 8.778 8.940 -0.162 1
1 420 . 6 1 1 A 51 51 GLY HA2 H 51 3.790 3.610 0.180 1
1 421 . 6 1 1 A 51 51 GLY HA3 H 51 3.713 3.748 -0.035 1
1 422 . 6 1 1 A 51 51 GLY CA C 51 48.310 47.346 0.964 1
1 423 . 6 1 1 A 51 51 GLY N N 51 108.204 113.375 -5.171 1
1 424 . 6 1 1 A 52 52 ASP H H 52 8.225 8.261 -0.036 1
1 425 . 6 1 1 A 52 52 ASP HA H 52 4.216 4.133 0.083 1
1 428 . 6 1 1 A 52 52 ASP CA C 52 57.344 57.144 0.200 1
1 429 . 6 1 1 A 52 52 ASP CB C 52 40.304 41.551 -1.247 1
1 430 . 6 1 1 A 52 52 ASP N N 52 119.404 121.513 -2.109 1
1 431 . 6 1 1 A 53 53 GLN H H 53 7.810 7.935 -0.125 1
1 432 . 6 1 1 A 53 53 GLN HA H 53 3.969 3.957 0.012 1
1 439 . 6 1 1 A 53 53 GLN CA C 53 58.673 58.629 0.044 1
1 440 . 6 1 1 A 53 53 GLN CB C 53 29.794 28.372 1.422 1
1 442 . 6 1 1 A 53 53 GLN N N 53 118.935 119.289 -0.354 1
1 444 . 6 1 1 A 54 54 ALA H H 54 8.293 8.440 -0.147 1
1 445 . 6 1 1 A 54 54 ALA HA H 54 3.642 3.852 -0.210 1
1 449 . 6 1 1 A 54 54 ALA CA C 54 55.243 54.981 0.262 1
1 450 . 6 1 1 A 54 54 ALA CB C 54 19.448 18.042 1.406 1
1 451 . 6 1 1 A 54 54 ALA N N 54 120.858 121.964 -1.106 1
1 452 . 6 1 1 A 55 55 ARG H H 55 8.744 7.533 1.211 1
1 453 . 6 1 1 A 55 55 ARG HA H 55 3.795 4.149 -0.354 1
1 460 . 6 1 1 A 55 55 ARG CA C 55 60.628 59.021 1.607 1
1 461 . 6 1 1 A 55 55 ARG CB C 55 30.224 29.894 0.330 1
1 464 . 6 1 1 A 55 55 ARG N N 55 115.211 116.980 -1.769 1
1 465 . 6 1 1 A 56 56 ASN H H 56 8.056 8.089 -0.033 1
1 466 . 6 1 1 A 56 56 ASN HA H 56 4.470 4.522 -0.052 1
1 471 . 6 1 1 A 56 56 ASN CA C 56 56.091 56.205 -0.114 1
1 472 . 6 1 1 A 56 56 ASN CB C 56 38.069 38.642 -0.573 1
1 473 . 6 1 1 A 56 56 ASN N N 56 116.543 118.541 -1.998 1
1 475 . 6 1 1 A 57 57 PHE H H 57 7.567 7.577 -0.010 1
1 476 . 6 1 1 A 57 57 PHE HA H 57 4.517 4.186 0.331 1
1 481 . 6 1 1 A 57 57 PHE CA C 57 61.373 61.325 0.048 1
1 482 . 6 1 1 A 57 57 PHE CB C 57 39.518 38.829 0.689 1
1 485 . 6 1 1 A 57 57 PHE N N 57 121.111 120.052 1.059 1
1 486 . 6 1 1 A 58 58 PHE H H 58 8.995 7.541 1.454 1
1 487 . 6 1 1 A 58 58 PHE HA H 58 4.501 4.358 0.143 1
1 491 . 6 1 1 A 58 58 PHE CA C 58 57.190 61.742 -4.552 1
1 492 . 6 1 1 A 58 58 PHE CB C 58 37.236 38.495 -1.259 1
1 494 . 6 1 1 A 58 58 PHE N N 58 119.594 117.742 1.852 1
1 495 . 6 1 1 A 59 59 PHE H H 59 8.510 8.715 -0.205 1
1 496 . 6 1 1 A 59 59 PHE HA H 59 4.296 4.136 0.160 1
1 500 . 6 1 1 A 59 59 PHE CA C 59 60.456 61.575 -1.119 1
1 501 . 6 1 1 A 59 59 PHE CB C 59 38.914 39.215 -0.301 1
1 503 . 6 1 1 A 59 59 PHE N N 59 120.834 119.829 1.005 1
1 504 . 6 1 1 A 60 60 GLN H H 60 7.652 8.349 -0.697 1
1 505 . 6 1 1 A 60 60 GLN HA H 60 4.056 4.020 0.036 1
1 512 . 6 1 1 A 60 60 GLN CA C 60 57.133 58.070 -0.937 1
1 513 . 6 1 1 A 60 60 GLN CB C 60 27.771 28.399 -0.628 1
1 515 . 6 1 1 A 60 60 GLN N N 60 116.464 118.593 -2.129 1
1 517 . 6 1 1 A 61 61 SER H H 61 7.823 7.538 0.285 1
1 518 . 6 1 1 A 61 61 SER HA H 61 3.985 4.417 -0.432 1
1 521 . 6 1 1 A 61 61 SER CA C 61 60.571 58.393 2.178 1
1 522 . 6 1 1 A 61 61 SER CB C 61 65.277 63.794 1.483 1
1 523 . 6 1 1 A 61 61 SER N N 61 113.448 112.094 1.354 1
1 524 . 6 1 1 A 62 62 GLY H H 62 7.478 8.060 -0.582 1
1 525 . 6 1 1 A 62 62 GLY HA2 H 62 4.115 3.804 0.311 1
1 526 . 6 1 1 A 62 62 GLY HA3 H 62 3.699 3.877 -0.178 1
1 527 . 6 1 1 A 62 62 GLY CA C 62 45.445 46.413 -0.968 1
1 528 . 6 1 1 A 62 62 GLY N N 62 108.189 110.603 -2.414 1
1 529 . 6 1 1 A 63 63 LEU H H 63 7.282 7.855 -0.573 1
1 530 . 6 1 1 A 63 63 LEU HA H 63 4.471 4.761 -0.290 1
1 540 . 6 1 1 A 63 63 LEU CA C 63 52.971 51.311 1.660 1
1 541 . 6 1 1 A 63 63 LEU CB C 63 41.597 44.093 -2.496 1
1 545 . 6 1 1 A 63 63 LEU N N 63 120.356 120.996 -0.640 1
1 546 . 6 1 1 A 64 64 PRO HA H 64 4.559 4.644 -0.085 1
1 553 . 6 1 1 A 64 64 PRO CA C 64 63.039 62.676 0.363 1
1 554 . 6 1 1 A 64 64 PRO CB C 64 33.402 32.815 0.587 1
1 557 . 6 1 1 A 65 65 GLN H H 65 9.289 8.726 0.563 1
1 558 . 6 1 1 A 65 65 GLN HA H 65 4.194 4.133 0.061 1
1 563 . 6 1 1 A 65 65 GLN CA C 65 61.180 60.349 0.831 1
1 564 . 6 1 1 A 65 65 GLN CB C 65 25.845 28.047 -2.202 1
1 566 . 6 1 1 A 65 65 GLN N N 65 122.729 121.924 0.805 1
1 567 . 6 1 1 A 66 66 PRO HA H 66 4.399 4.422 -0.023 1
1 574 . 6 1 1 A 66 66 PRO CA C 66 65.956 65.479 0.477 1
1 575 . 6 1 1 A 66 66 PRO CB C 66 30.665 30.983 -0.318 1
1 578 . 6 1 1 A 67 67 VAL H H 67 6.875 6.979 -0.104 1
1 579 . 6 1 1 A 67 67 VAL HA H 67 3.930 3.879 0.051 1
1 587 . 6 1 1 A 67 67 VAL CA C 67 64.811 65.274 -0.463 1
1 588 . 6 1 1 A 67 67 VAL CB C 67 31.581 31.662 -0.081 1
1 591 . 6 1 1 A 67 67 VAL N N 67 117.350 116.615 0.735 1
1 592 . 6 1 1 A 68 68 LEU H H 68 7.965 8.502 -0.537 1
1 593 . 6 1 1 A 68 68 LEU HA H 68 3.955 3.970 -0.015 1
1 603 . 6 1 1 A 68 68 LEU CA C 68 57.878 58.092 -0.214 1
1 604 . 6 1 1 A 68 68 LEU CB C 68 40.821 41.691 -0.870 1
1 608 . 6 1 1 A 68 68 LEU N N 68 119.980 119.993 -0.013 1
1 609 . 6 1 1 A 69 69 ALA H H 69 8.577 8.546 0.031 1
1 610 . 6 1 1 A 69 69 ALA HA H 69 4.375 4.256 0.119 1
1 614 . 6 1 1 A 69 69 ALA CA C 69 55.128 54.870 0.258 1
1 615 . 6 1 1 A 69 69 ALA CB C 69 17.533 18.250 -0.717 1
1 616 . 6 1 1 A 69 69 ALA N N 69 122.731 121.120 1.611 1
1 617 . 6 1 1 A 70 70 GLN H H 70 7.534 7.803 -0.269 1
1 618 . 6 1 1 A 70 70 GLN HA H 70 4.190 4.096 0.094 1
1 625 . 6 1 1 A 70 70 GLN CA C 70 58.623 58.721 -0.098 1
1 626 . 6 1 1 A 70 70 GLN CB C 70 28.349 28.383 -0.034 1
1 628 . 6 1 1 A 70 70 GLN N N 70 120.846 117.413 3.433 1
1 630 . 6 1 1 A 71 71 ILE H H 71 8.170 8.008 0.162 1
1 631 . 6 1 1 A 71 71 ILE HA H 71 3.455 3.558 -0.103 1
1 641 . 6 1 1 A 71 71 ILE CA C 71 66.530 65.305 1.225 1
1 642 . 6 1 1 A 71 71 ILE CB C 71 37.768 37.468 0.300 1
1 646 . 6 1 1 A 71 71 ILE N N 71 120.351 120.191 0.160 1
1 647 . 6 1 1 A 72 72 TRP H H 72 8.473 8.382 0.091 1
1 648 . 6 1 1 A 72 72 TRP HA H 72 3.845 4.323 -0.478 1
1 657 . 6 1 1 A 72 72 TRP CA C 72 61.144 61.299 -0.155 1
1 658 . 6 1 1 A 72 72 TRP CB C 72 28.496 29.302 -0.806 1
1 664 . 6 1 1 A 72 72 TRP N N 72 119.417 121.688 -2.271 1
1 666 . 6 1 1 A 73 73 ALA H H 73 7.647 7.998 -0.351 1
1 667 . 6 1 1 A 73 73 ALA HA H 73 4.012 3.899 0.113 1
1 671 . 6 1 1 A 73 73 ALA CA C 73 54.154 54.145 0.009 1
1 672 . 6 1 1 A 73 73 ALA CB C 73 18.059 18.350 -0.291 1
1 673 . 6 1 1 A 73 73 ALA N N 73 116.148 121.555 -5.407 1
1 674 . 6 1 1 A 74 74 LEU H H 74 7.493 7.447 0.046 1
1 675 . 6 1 1 A 74 74 LEU HA H 74 3.947 4.226 -0.279 1
1 685 . 6 1 1 A 74 74 LEU CA C 74 56.478 56.626 -0.148 1
1 686 . 6 1 1 A 74 74 LEU CB C 74 43.726 41.962 1.764 1
1 690 . 6 1 1 A 74 74 LEU N N 74 115.647 116.333 -0.686 1
1 691 . 6 1 1 A 75 75 ALA H H 75 7.952 8.091 -0.139 1
1 692 . 6 1 1 A 75 75 ALA HA H 75 4.019 4.168 -0.149 1
1 696 . 6 1 1 A 75 75 ALA CA C 75 53.982 55.465 -1.483 1
1 697 . 6 1 1 A 75 75 ALA CB C 75 19.913 19.187 0.726 1
1 698 . 6 1 1 A 75 75 ALA N N 75 118.000 121.240 -3.240 1
1 699 . 6 1 1 A 76 76 ASP H H 76 7.798 8.352 -0.554 1
1 700 . 6 1 1 A 76 76 ASP HA H 76 4.587 4.727 -0.140 1
1 703 . 6 1 1 A 76 76 ASP CA C 76 51.849 53.667 -1.818 1
1 704 . 6 1 1 A 76 76 ASP CB C 76 36.265 39.959 -3.694 1
1 705 . 6 1 1 A 76 76 ASP N N 76 114.297 114.769 -0.472 1
1 706 . 6 1 1 A 77 77 MET H H 77 8.077 8.145 -0.068 1
1 707 . 6 1 1 A 77 77 MET HA H 77 3.867 4.118 -0.251 1
1 715 . 6 1 1 A 77 77 MET CA C 77 59.024 58.421 0.603 1
1 716 . 6 1 1 A 77 77 MET CB C 77 34.550 31.621 2.929 1
1 719 . 6 1 1 A 77 77 MET N N 77 123.959 124.400 -0.441 1
1 720 . 6 1 1 A 78 78 ASN H H 78 7.801 7.811 -0.010 1
1 721 . 6 1 1 A 78 78 ASN HA H 78 4.839 4.752 0.087 1
1 726 . 6 1 1 A 78 78 ASN CA C 78 50.889 54.360 -3.471 1
1 727 . 6 1 1 A 78 78 ASN CB C 78 37.028 39.067 -2.039 1
1 728 . 6 1 1 A 78 78 ASN N N 78 112.247 118.529 -6.282 1
1 730 . 6 1 1 A 79 79 ASN H H 79 8.019 8.584 -0.565 1
1 731 . 6 1 1 A 79 79 ASN HA H 79 4.380 4.279 0.101 1
1 736 . 6 1 1 A 79 79 ASN CA C 79 54.319 53.862 0.457 1
1 737 . 6 1 1 A 79 79 ASN CB C 79 37.867 36.745 1.122 1
1 738 . 6 1 1 A 79 79 ASN N N 79 116.050 117.085 -1.035 1
1 740 . 6 1 1 A 80 80 ASP H H 80 8.019 8.388 -0.369 1
1 741 . 6 1 1 A 80 80 ASP HA H 80 4.784 4.767 0.017 1
1 744 . 6 1 1 A 80 80 ASP CA C 80 52.672 54.219 -1.547 1
1 745 . 6 1 1 A 80 80 ASP CB C 80 41.585 41.574 0.011 1
1 746 . 6 1 1 A 80 80 ASP N N 80 115.620 121.096 -5.476 1
1 747 . 6 1 1 A 81 81 GLY H H 81 10.345 8.083 2.262 1
1 748 . 6 1 1 A 81 81 GLY HA2 H 81 4.339 4.234 0.105 1
1 749 . 6 1 1 A 81 81 GLY HA3 H 81 4.044 4.525 -0.481 1
1 750 . 6 1 1 A 81 81 GLY CA C 81 46.560 46.296 0.264 1
1 751 . 6 1 1 A 81 81 GLY N N 81 112.191 107.255 4.936 1
1 752 . 6 1 1 A 82 82 ARG H H 82 8.365 8.460 -0.095 1
1 753 . 6 1 1 A 82 82 ARG HA H 82 5.105 4.623 0.482 1
1 760 . 6 1 1 A 82 82 ARG CA C 82 53.982 56.179 -2.197 1
1 761 . 6 1 1 A 82 82 ARG CB C 82 33.303 33.138 0.165 1
1 764 . 6 1 1 A 82 82 ARG N N 82 117.518 118.817 -1.299 1
1 765 . 6 1 1 A 83 83 MET H H 83 9.038 8.272 0.766 1
1 766 . 6 1 1 A 83 83 MET HA H 83 6.142 4.336 1.806 1
1 774 . 6 1 1 A 83 83 MET CA C 83 55.586 56.466 -0.880 1
1 775 . 6 1 1 A 83 83 MET CB C 83 38.610 31.411 7.199 1
1 778 . 6 1 1 A 83 83 MET N N 83 120.510 118.995 1.515 1
1 779 . 6 1 1 A 84 84 ASP H H 84 7.586 8.562 -0.976 1
1 780 . 6 1 1 A 84 84 ASP HA H 84 5.259 5.131 0.128 1
1 783 . 6 1 1 A 84 84 ASP CA C 84 51.182 53.592 -2.410 1
1 784 . 6 1 1 A 84 84 ASP CB C 84 42.047 42.245 -0.198 1
1 785 . 6 1 1 A 84 84 ASP N N 84 122.321 123.445 -1.124 1
1 786 . 6 1 1 A 85 85 GLN H H 85 7.988 8.511 -0.523 1
1 787 . 6 1 1 A 85 85 GLN HA H 85 2.609 3.927 -1.318 1
1 794 . 6 1 1 A 85 85 GLN CA C 85 58.909 58.525 0.384 1
1 795 . 6 1 1 A 85 85 GLN CB C 85 29.346 28.018 1.328 1
1 797 . 6 1 1 A 85 85 GLN N N 85 115.617 119.872 -4.255 1
1 799 . 6 1 1 A 86 86 VAL H H 86 7.357 8.013 -0.656 1
1 800 . 6 1 1 A 86 86 VAL HA H 86 3.557 3.817 -0.260 1
1 808 . 6 1 1 A 86 86 VAL CA C 86 66.117 64.665 1.452 1
1 809 . 6 1 1 A 86 86 VAL CB C 86 31.538 31.677 -0.139 1
1 812 . 6 1 1 A 86 86 VAL N N 86 120.551 119.481 1.070 1
1 813 . 6 1 1 A 87 87 GLU H H 87 8.375 8.345 0.030 1
1 814 . 6 1 1 A 87 87 GLU HA H 87 3.908 4.100 -0.192 1
1 819 . 6 1 1 A 87 87 GLU CA C 87 59.424 59.604 -0.180 1
1 820 . 6 1 1 A 87 87 GLU CB C 87 31.466 29.363 2.103 1
1 822 . 6 1 1 A 87 87 GLU N N 87 119.417 122.451 -3.034 1
1 823 . 6 1 1 A 88 88 PHE H H 88 8.482 8.895 -0.413 1
1 824 . 6 1 1 A 88 88 PHE HA H 88 4.427 4.388 0.039 1
1 828 . 6 1 1 A 88 88 PHE CA C 88 62.061 61.461 0.600 1
1 829 . 6 1 1 A 88 88 PHE CB C 88 40.726 39.521 1.205 1
1 831 . 6 1 1 A 88 88 PHE N N 88 117.094 122.240 -5.146 1
1 832 . 6 1 1 A 89 89 SER H H 89 7.490 7.980 -0.490 1
1 833 . 6 1 1 A 89 89 SER HA H 89 4.763 4.380 0.383 1
1 836 . 6 1 1 A 89 89 SER CA C 89 59.783 62.061 -2.278 1
1 837 . 6 1 1 A 89 89 SER CB C 89 59.544 62.997 -3.453 1
1 838 . 6 1 1 A 89 89 SER N N 89 113.424 115.516 -2.092 1
1 839 . 6 1 1 A 90 90 ILE H H 90 8.034 7.905 0.129 1
1 840 . 6 1 1 A 90 90 ILE HA H 90 3.506 3.929 -0.423 1
1 850 . 6 1 1 A 90 90 ILE CA C 90 66.098 63.449 2.649 1
1 851 . 6 1 1 A 90 90 ILE CB C 90 37.905 37.654 0.251 1
1 855 . 6 1 1 A 90 90 ILE N N 90 118.472 120.631 -2.159 1
1 856 . 6 1 1 A 91 91 ALA H H 91 8.197 8.103 0.094 1
1 857 . 6 1 1 A 91 91 ALA HA H 91 4.286 4.128 0.158 1
1 861 . 6 1 1 A 91 91 ALA CA C 91 52.435 53.834 -1.399 1
1 862 . 6 1 1 A 91 91 ALA CB C 91 19.091 18.569 0.522 1
1 863 . 6 1 1 A 91 91 ALA N N 91 119.275 123.894 -4.619 1
1 864 . 6 1 1 A 92 92 MET H H 92 8.183 7.721 0.462 1
1 865 . 6 1 1 A 92 92 MET HA H 92 4.268 4.083 0.185 1
1 870 . 6 1 1 A 92 92 MET CA C 92 55.643 58.337 -2.694 1
1 871 . 6 1 1 A 92 92 MET CB C 92 29.521 31.897 -2.376 1
1 873 . 6 1 1 A 92 92 MET N N 92 118.681 117.515 1.166 1
1 874 . 6 1 1 A 93 93 LYS H H 93 8.172 7.908 0.264 1
1 875 . 6 1 1 A 93 93 LYS HA H 93 4.006 4.208 -0.202 1
1 878 . 6 1 1 A 93 93 LYS CA C 93 56.840 58.741 -1.901 1
1 879 . 6 1 1 A 93 93 LYS CB C 93 32.830 32.326 0.504 1
1 880 . 6 1 1 A 93 93 LYS N N 93 120.362 119.329 1.033 1
1 881 . 6 1 1 A 94 94 LEU H H 94 8.017 7.940 0.077 1
1 882 . 6 1 1 A 94 94 LEU HA H 94 3.884 4.313 -0.429 1
1 892 . 6 1 1 A 94 94 LEU CA C 94 58.234 58.157 0.077 1
1 893 . 6 1 1 A 94 94 LEU CB C 94 42.050 41.870 0.180 1
1 897 . 6 1 1 A 94 94 LEU N N 94 114.192 121.942 -7.750 1
1 898 . 6 1 1 A 95 95 ILE H H 95 8.377 8.329 0.048 1
1 899 . 6 1 1 A 95 95 ILE HA H 95 3.254 3.520 -0.266 1
1 909 . 6 1 1 A 95 95 ILE CA C 95 66.013 65.629 0.384 1
1 910 . 6 1 1 A 95 95 ILE CB C 95 38.284 37.884 0.400 1
1 914 . 6 1 1 A 95 95 ILE N N 95 118.949 120.150 -1.201 1
1 915 . 6 1 1 A 96 96 LYS H H 96 7.751 8.060 -0.309 1
1 916 . 6 1 1 A 96 96 LYS HA H 96 3.928 4.072 -0.144 1
1 925 . 6 1 1 A 96 96 LYS CA C 96 59.701 59.824 -0.123 1
1 926 . 6 1 1 A 96 96 LYS CB C 96 32.286 31.853 0.433 1
1 930 . 6 1 1 A 96 96 LYS N N 96 119.637 121.336 -1.699 1
1 931 . 6 1 1 A 97 97 LEU H H 97 8.382 8.050 0.332 1
1 932 . 6 1 1 A 97 97 LEU HA H 97 4.006 4.123 -0.117 1
1 942 . 6 1 1 A 97 97 LEU CA C 97 57.363 57.046 0.317 1
1 943 . 6 1 1 A 97 97 LEU CB C 97 40.459 41.165 -0.706 1
1 947 . 6 1 1 A 97 97 LEU N N 97 117.727 119.388 -1.661 1
1 948 . 6 1 1 A 98 98 LYS H H 98 8.761 8.150 0.611 1
1 949 . 6 1 1 A 98 98 LYS HA H 98 4.548 4.265 0.283 1
1 958 . 6 1 1 A 98 98 LYS CA C 98 57.477 59.744 -2.267 1
1 959 . 6 1 1 A 98 98 LYS CB C 98 31.294 32.301 -1.007 1
1 963 . 6 1 1 A 98 98 LYS N N 98 122.255 120.178 2.077 1
1 964 . 6 1 1 A 99 99 LEU H H 99 8.798 8.118 0.680 1
1 965 . 6 1 1 A 99 99 LEU HA H 99 4.100 4.183 -0.083 1
1 975 . 6 1 1 A 99 99 LEU CA C 99 57.878 55.913 1.965 1
1 976 . 6 1 1 A 99 99 LEU CB C 99 41.605 41.868 -0.263 1
1 980 . 6 1 1 A 99 99 LEU N N 99 122.214 120.197 2.017 1
1 981 . 6 1 1 A 100 100 GLN H H 100 7.749 7.330 0.419 1
1 982 . 6 1 1 A 100 100 GLN HA H 100 4.285 4.387 -0.102 1
1 989 . 6 1 1 A 100 100 GLN CA C 100 56.503 55.797 0.706 1
1 990 . 6 1 1 A 100 100 GLN CB C 100 29.576 29.465 0.111 1
1 992 . 6 1 1 A 100 100 GLN N N 100 116.914 117.356 -0.442 1
1 993 . 6 1 1 A 101 101 GLY H H 101 7.910 7.770 0.140 1
1 994 . 6 1 1 A 101 101 GLY HA2 H 101 4.262 3.848 0.414 1
1 995 . 6 1 1 A 101 101 GLY HA3 H 101 3.661 3.918 -0.257 1
1 996 . 6 1 1 A 101 101 GLY CA C 101 44.884 44.956 -0.072 1
1 997 . 6 1 1 A 101 101 GLY N N 101 106.044 106.936 -0.892 1
1 998 . 6 1 1 A 102 102 TYR H H 102 8.078 7.823 0.255 1
1 999 . 6 1 1 A 102 102 TYR HA H 102 4.311 4.615 -0.304 1
1 1006 . 6 1 1 A 102 102 TYR CA C 102 59.253 58.342 0.911 1
1 1007 . 6 1 1 A 102 102 TYR CB C 102 37.849 39.714 -1.865 1
1 1010 . 6 1 1 A 102 102 TYR N N 102 120.876 120.095 0.781 1
1 1011 . 6 1 1 A 103 103 GLN H H 103 8.610 9.236 -0.626 1
1 1012 . 6 1 1 A 103 103 GLN HA H 103 4.280 5.325 -1.045 1
1 1015 . 6 1 1 A 103 103 GLN CA C 103 56.620 53.691 2.929 1
1 1016 . 6 1 1 A 103 103 GLN CB C 103 29.100 33.096 -3.996 1
1 1017 . 6 1 1 A 103 103 GLN N N 103 119.785 118.930 0.855 1
1 1018 . 6 1 1 A 105 105 PRO HA H 105 4.631 4.669 -0.038 1
1 1025 . 6 1 1 A 105 105 PRO CA C 105 61.602 62.260 -0.658 1
1 1026 . 6 1 1 A 105 105 PRO CB C 105 31.690 33.347 -1.657 1
1 1029 . 6 1 1 A 106 106 SER H H 106 8.485 8.790 -0.305 1
1 1030 . 6 1 1 A 106 106 SER HA H 106 4.183 4.512 -0.329 1
1 1033 . 6 1 1 A 106 106 SER CA C 106 59.525 59.054 0.471 1
1 1034 . 6 1 1 A 106 106 SER CB C 106 63.078 63.707 -0.629 1
1 1035 . 6 1 1 A 106 106 SER N N 106 112.361 115.205 -2.844 1
1 1036 . 6 1 1 A 107 107 ALA H H 107 7.410 7.581 -0.171 1
1 1037 . 6 1 1 A 107 107 ALA HA H 107 4.308 4.774 -0.466 1
1 1041 . 6 1 1 A 107 107 ALA CA C 107 50.086 50.402 -0.316 1
1 1042 . 6 1 1 A 107 107 ALA CB C 107 21.253 21.222 0.031 1
1 1043 . 6 1 1 A 107 107 ALA N N 107 121.311 124.048 -2.737 1
1 1044 . 6 1 1 A 108 108 LEU H H 108 8.915 8.881 0.034 1
1 1045 . 6 1 1 A 108 108 LEU HA H 108 4.020 4.507 -0.487 1
1 1055 . 6 1 1 A 108 108 LEU CA C 108 52.990 52.732 0.258 1
1 1056 . 6 1 1 A 108 108 LEU CB C 108 42.041 40.932 1.109 1
1 1060 . 6 1 1 A 108 108 LEU N N 108 122.607 124.148 -1.541 1
1 1061 . 6 1 1 A 110 110 PRO HA H 110 4.024 4.328 -0.304 1
1 1068 . 6 1 1 A 110 110 PRO CA C 110 65.440 64.671 0.769 1
1 1069 . 6 1 1 A 110 110 PRO CB C 110 31.638 31.779 -0.141 1
1 1072 . 6 1 1 A 111 111 VAL H H 111 8.118 7.404 0.714 1
1 1073 . 6 1 1 A 111 111 VAL HA H 111 3.986 3.935 0.051 1
1 1081 . 6 1 1 A 111 111 VAL CA C 111 63.779 65.195 -1.416 1
1 1082 . 6 1 1 A 111 111 VAL CB C 111 31.065 31.621 -0.556 1
1 1085 . 6 1 1 A 111 111 VAL N N 111 115.605 116.546 -0.941 1
1 1086 . 6 1 1 A 112 112 MET H H 112 7.908 7.757 0.151 1
1 1087 . 6 1 1 A 112 112 MET HA H 112 4.160 4.343 -0.183 1
1 1095 . 6 1 1 A 112 112 MET CA C 112 59.098 58.843 0.255 1
1 1096 . 6 1 1 A 112 112 MET CB C 112 34.024 33.543 0.481 1
1 1099 . 6 1 1 A 112 112 MET N N 112 118.943 117.764 1.179 1
1 1100 . 6 1 1 A 113 113 LYS H H 113 7.330 7.340 -0.010 1
1 1101 . 6 1 1 A 113 113 LYS HA H 113 4.182 4.243 -0.061 1
1 1110 . 6 1 1 A 113 113 LYS CA C 113 55.987 58.319 -2.332 1
1 1111 . 6 1 1 A 113 113 LYS CB C 113 32.841 32.166 0.675 1
1 1115 . 6 1 1 A 113 113 LYS N N 113 112.617 117.664 -5.047 1
1 1116 . 6 1 1 A 114 114 GLN H H 114 7.114 7.747 -0.633 1
1 1117 . 6 1 1 A 114 114 GLN HA H 114 4.309 4.353 -0.044 1
1 1124 . 6 1 1 A 114 114 GLN CA C 114 54.956 57.943 -2.987 1
1 1125 . 6 1 1 A 114 114 GLN CB C 114 29.241 27.372 1.869 1
1 1127 . 6 1 1 A 114 114 GLN N N 114 117.852 116.020 1.832 1
1 1129 . 6 1 1 A 115 115 GLN H H 115 8.556 8.494 0.062 1
1 1130 . 6 1 1 A 115 115 GLN HA H 115 4.501 4.766 -0.265 1
1 1137 . 6 1 1 A 115 115 GLN CA C 115 53.858 52.405 1.453 1
1 1138 . 6 1 1 A 115 115 GLN CB C 115 28.234 30.955 -2.721 1
1 1140 . 6 1 1 A 115 115 GLN N N 115 123.195 121.303 1.892 1
1 1142 . 6 1 1 A 116 116 PRO HA H 116 4.530 4.612 -0.082 1
1 1149 . 6 1 1 A 116 116 PRO CA C 116 63.050 62.799 0.251 1
1 1150 . 6 1 1 A 116 116 PRO CB C 116 31.953 31.729 0.224 1
1 1153 . 6 1 1 A 117 117 VAL H H 117 8.345 8.358 -0.013 1
1 1154 . 6 1 1 A 117 117 VAL HA H 117 4.167 4.352 -0.185 1
1 1162 . 6 1 1 A 117 117 VAL CA C 117 61.258 61.589 -0.331 1
1 1163 . 6 1 1 A 117 117 VAL CB C 117 33.724 31.440 2.284 1
1 1166 . 6 1 1 A 117 117 VAL N N 117 120.361 117.026 3.335 1
1 1167 . 6 1 1 A 118 118 ALA H H 118 8.470 8.140 0.330 1
1 1168 . 6 1 1 A 118 118 ALA HA H 118 4.452 4.818 -0.366 1
1 1172 . 6 1 1 A 118 118 ALA CA C 118 51.678 51.610 0.068 1
1 1173 . 6 1 1 A 118 118 ALA CB C 118 19.260 22.804 -3.544 1
1 1174 . 6 1 1 A 118 118 ALA N N 118 128.412 126.647 1.765 1
1 1175 . 6 1 1 A 119 119 ILE H H 119 8.250 8.664 -0.414 1
1 1176 . 6 1 1 A 119 119 ILE HA H 119 4.240 4.753 -0.513 1
1 1186 . 6 1 1 A 119 119 ILE CA C 119 60.743 60.051 0.692 1
1 1187 . 6 1 1 A 119 119 ILE CB C 119 38.914 40.151 -1.237 1
1 1191 . 6 1 1 A 119 119 ILE N N 119 120.929 124.178 -3.249 1
1 1192 . 6 1 1 A 120 120 SER H H 120 8.413 8.742 -0.329 1
1 1193 . 6 1 1 A 120 120 SER HA H 120 4.543 5.057 -0.514 1
1 1196 . 6 1 1 A 120 120 SER CA C 120 57.878 58.267 -0.389 1
1 1197 . 6 1 1 A 120 120 SER CB C 120 63.951 64.787 -0.836 1
1 1198 . 6 1 1 A 120 120 SER N N 120 120.494 127.534 -7.040 1
1 1 . 7 1 1 A 12 12 ALA H H 12 8.223 8.563 -0.340 1
1 2 . 7 1 1 A 12 12 ALA HA H 12 4.220 4.806 -0.586 1
1 6 . 7 1 1 A 12 12 ALA CA C 12 52.323 50.416 1.907 1
1 7 . 7 1 1 A 12 12 ALA CB C 12 19.015 19.182 -0.167 1
1 8 . 7 1 1 A 12 12 ALA N N 12 124.624 128.881 -4.257 1
1 9 . 7 1 1 A 13 13 GLN H H 13 8.220 8.974 -0.754 1
1 10 . 7 1 1 A 13 13 GLN HA H 13 4.292 4.596 -0.304 1
1 13 . 7 1 1 A 13 13 GLN CA C 13 55.457 54.902 0.555 1
1 14 . 7 1 1 A 13 13 GLN CB C 13 29.804 29.799 0.005 1
1 15 . 7 1 1 A 13 13 GLN N N 13 119.119 123.921 -4.802 1
1 16 . 7 1 1 A 14 14 PHE H H 14 8.109 7.222 0.887 1
1 17 . 7 1 1 A 14 14 PHE HA H 14 4.559 5.078 -0.519 1
1 20 . 7 1 1 A 14 14 PHE CA C 14 58.250 54.962 3.288 1
1 21 . 7 1 1 A 14 14 PHE CB C 14 39.950 40.569 -0.619 1
1 22 . 7 1 1 A 14 14 PHE N N 14 121.712 118.142 3.570 1
1 23 . 7 1 1 A 15 15 PRO HA H 15 4.492 4.673 -0.181 1
1 30 . 7 1 1 A 15 15 PRO CA C 15 63.047 62.774 0.273 1
1 31 . 7 1 1 A 15 15 PRO CB C 15 31.810 32.558 -0.748 1
1 34 . 7 1 1 A 16 16 THR H H 16 8.197 8.470 -0.273 1
1 35 . 7 1 1 A 16 16 THR HA H 16 4.614 4.518 0.096 1
1 40 . 7 1 1 A 16 16 THR CA C 16 59.526 61.228 -1.702 1
1 41 . 7 1 1 A 16 16 THR CB C 16 69.603 69.496 0.107 1
1 43 . 7 1 1 A 16 16 THR N N 16 115.700 118.489 -2.789 1
1 44 . 7 1 1 A 17 17 PRO HA H 17 4.360 4.859 -0.499 1
1 51 . 7 1 1 A 17 17 PRO CA C 17 63.321 62.497 0.824 1
1 52 . 7 1 1 A 17 17 PRO CB C 17 31.680 30.460 1.220 1
1 55 . 7 1 1 A 18 18 PHE H H 18 8.212 8.658 -0.446 1
1 56 . 7 1 1 A 18 18 PHE HA H 18 4.589 5.593 -1.004 1
1 64 . 7 1 1 A 18 18 PHE CA C 18 57.648 55.014 2.634 1
1 65 . 7 1 1 A 18 18 PHE CB C 18 39.165 42.574 -3.409 1
1 69 . 7 1 1 A 18 18 PHE N N 18 119.185 118.343 0.842 1
1 70 . 7 1 1 A 19 19 GLY H H 19 8.250 8.415 -0.165 1
1 71 . 7 1 1 A 19 19 GLY HA2 H 19 3.943 4.024 -0.081 1
1 72 . 7 1 1 A 19 19 GLY HA3 H 19 3.935 4.051 -0.116 1
1 73 . 7 1 1 A 19 19 GLY CA C 19 45.100 45.250 -0.150 1
1 74 . 7 1 1 A 19 19 GLY N N 19 110.566 107.050 3.516 1
1 75 . 7 1 1 A 20 20 GLY H H 20 7.873 8.017 -0.144 1
1 76 . 7 1 1 A 20 20 GLY HA2 H 20 3.964 3.930 0.034 1
1 77 . 7 1 1 A 20 20 GLY HA3 H 20 3.955 3.939 0.016 1
1 78 . 7 1 1 A 20 20 GLY CA C 20 45.056 46.015 -0.959 1
1 79 . 7 1 1 A 20 20 GLY N N 20 108.171 108.664 -0.493 1
1 80 . 7 1 1 A 21 21 SER H H 21 8.274 8.444 -0.170 1
1 81 . 7 1 1 A 21 21 SER HA H 21 4.523 4.801 -0.278 1
1 84 . 7 1 1 A 21 21 SER CA C 21 57.951 57.386 0.565 1
1 85 . 7 1 1 A 21 21 SER CB C 21 63.946 65.650 -1.704 1
1 86 . 7 1 1 A 21 21 SER N N 21 115.180 118.067 -2.887 1
1 87 . 7 1 1 A 22 22 LEU H H 22 8.435 9.318 -0.883 1
1 88 . 7 1 1 A 22 22 LEU HA H 22 4.302 4.285 0.017 1
1 98 . 7 1 1 A 22 22 LEU CA C 22 55.846 56.418 -0.572 1
1 99 . 7 1 1 A 22 22 LEU CB C 22 42.229 40.891 1.338 1
1 103 . 7 1 1 A 22 22 LEU N N 22 123.998 121.105 2.893 1
1 104 . 7 1 1 A 23 23 ASP H H 23 8.291 9.028 -0.737 1
1 105 . 7 1 1 A 23 23 ASP HA H 23 4.494 4.211 0.283 1
1 108 . 7 1 1 A 23 23 ASP CA C 23 54.981 55.136 -0.155 1
1 109 . 7 1 1 A 23 23 ASP CB C 23 41.190 39.102 2.088 1
1 110 . 7 1 1 A 23 23 ASP N N 23 120.385 118.297 2.088 1
1 111 . 7 1 1 A 24 24 THR H H 24 8.010 7.641 0.369 1
1 112 . 7 1 1 A 24 24 THR HA H 24 3.770 3.861 -0.091 1
1 117 . 7 1 1 A 24 24 THR CA C 24 64.590 66.036 -1.446 1
1 118 . 7 1 1 A 24 24 THR CB C 24 69.620 68.475 1.145 1
1 120 . 7 1 1 A 24 24 THR N N 24 117.799 110.943 6.856 1
1 121 . 7 1 1 A 25 25 TRP H H 25 7.780 7.586 0.194 1
1 122 . 7 1 1 A 25 25 TRP HA H 25 4.012 4.664 -0.652 1
1 131 . 7 1 1 A 25 25 TRP CA C 25 57.837 57.299 0.538 1
1 132 . 7 1 1 A 25 25 TRP CB C 25 28.842 29.720 -0.878 1
1 138 . 7 1 1 A 25 25 TRP N N 25 118.659 118.098 0.561 1
1 140 . 7 1 1 A 26 26 ALA H H 26 7.101 7.455 -0.354 1
1 141 . 7 1 1 A 26 26 ALA HA H 26 3.949 4.525 -0.576 1
1 145 . 7 1 1 A 26 26 ALA CA C 26 52.102 51.354 0.748 1
1 146 . 7 1 1 A 26 26 ALA CB C 26 18.840 21.567 -2.727 1
1 147 . 7 1 1 A 26 26 ALA N N 26 117.054 122.045 -4.991 1
1 148 . 7 1 1 A 27 27 ILE H H 27 8.687 8.531 0.156 1
1 149 . 7 1 1 A 27 27 ILE HA H 27 4.332 4.630 -0.298 1
1 159 . 7 1 1 A 27 27 ILE CA C 27 61.430 60.440 0.990 1
1 160 . 7 1 1 A 27 27 ILE CB C 27 38.550 38.851 -0.301 1
1 164 . 7 1 1 A 27 27 ILE N N 27 125.107 120.155 4.952 1
1 165 . 7 1 1 A 28 28 THR H H 28 8.981 9.071 -0.090 1
1 166 . 7 1 1 A 28 28 THR HA H 28 4.760 4.776 -0.016 1
1 171 . 7 1 1 A 28 28 THR CA C 28 60.685 60.723 -0.038 1
1 172 . 7 1 1 A 28 28 THR CB C 28 71.252 71.042 0.210 1
1 174 . 7 1 1 A 28 28 THR N N 28 118.938 123.028 -4.090 1
1 175 . 7 1 1 A 29 29 VAL H H 29 8.612 8.916 -0.304 1
1 176 . 7 1 1 A 29 29 VAL HA H 29 3.532 3.688 -0.156 1
1 184 . 7 1 1 A 29 29 VAL CA C 29 66.349 66.399 -0.050 1
1 185 . 7 1 1 A 29 29 VAL CB C 29 31.799 31.345 0.454 1
1 188 . 7 1 1 A 29 29 VAL N N 29 119.411 122.501 -3.090 1
1 189 . 7 1 1 A 30 30 GLU H H 30 8.432 8.398 0.034 1
1 190 . 7 1 1 A 30 30 GLU HA H 30 4.011 4.042 -0.031 1
1 195 . 7 1 1 A 30 30 GLU CA C 30 59.597 59.785 -0.188 1
1 196 . 7 1 1 A 30 30 GLU CB C 30 28.912 29.085 -0.173 1
1 198 . 7 1 1 A 30 30 GLU N N 30 119.890 120.146 -0.256 1
1 199 . 7 1 1 A 31 31 GLU H H 31 7.737 8.501 -0.764 1
1 200 . 7 1 1 A 31 31 GLU HA H 31 3.604 4.089 -0.485 1
1 205 . 7 1 1 A 31 31 GLU CA C 31 58.718 59.287 -0.569 1
1 206 . 7 1 1 A 31 31 GLU CB C 31 30.666 29.390 1.276 1
1 208 . 7 1 1 A 31 31 GLU N N 31 120.821 117.556 3.265 1
1 209 . 7 1 1 A 32 32 ARG H H 32 8.382 8.298 0.084 1
1 210 . 7 1 1 A 32 32 ARG HA H 32 3.998 4.117 -0.119 1
1 213 . 7 1 1 A 32 32 ARG CA C 32 57.356 58.884 -1.528 1
1 214 . 7 1 1 A 32 32 ARG CB C 32 28.870 29.740 -0.870 1
1 215 . 7 1 1 A 32 32 ARG N N 32 117.523 120.483 -2.960 1
1 216 . 7 1 1 A 33 33 ALA H H 33 7.919 8.443 -0.524 1
1 217 . 7 1 1 A 33 33 ALA HA H 33 4.248 4.167 0.081 1
1 221 . 7 1 1 A 33 33 ALA CA C 33 55.007 55.179 -0.172 1
1 222 . 7 1 1 A 33 33 ALA CB C 33 17.601 18.256 -0.655 1
1 223 . 7 1 1 A 33 33 ALA N N 33 119.982 121.659 -1.677 1
1 224 . 7 1 1 A 34 34 LYS H H 34 7.212 8.388 -1.176 1
1 225 . 7 1 1 A 34 34 LYS HA H 34 4.194 4.238 -0.044 1
1 234 . 7 1 1 A 34 34 LYS CA C 34 58.852 58.860 -0.008 1
1 235 . 7 1 1 A 34 34 LYS CB C 34 31.598 32.430 -0.832 1
1 239 . 7 1 1 A 34 34 LYS N N 34 119.567 117.752 1.815 1
1 240 . 7 1 1 A 35 35 HIS H H 35 8.814 8.582 0.232 1
1 241 . 7 1 1 A 35 35 HIS HA H 35 4.923 4.602 0.321 1
1 244 . 7 1 1 A 35 35 HIS CA C 35 57.821 60.335 -2.514 1
1 245 . 7 1 1 A 35 35 HIS CB C 35 29.950 30.239 -0.289 1
1 246 . 7 1 1 A 35 35 HIS N N 35 122.252 120.592 1.660 1
1 247 . 7 1 1 A 36 36 ASP H H 36 9.292 8.044 1.248 1
1 248 . 7 1 1 A 36 36 ASP HA H 36 4.454 4.274 0.180 1
1 251 . 7 1 1 A 36 36 ASP CA C 36 57.305 56.939 0.366 1
1 252 . 7 1 1 A 36 36 ASP CB C 36 39.889 40.825 -0.936 1
1 253 . 7 1 1 A 36 36 ASP N N 36 118.831 119.538 -0.707 1
1 254 . 7 1 1 A 37 37 GLN H H 37 7.673 8.275 -0.602 1
1 255 . 7 1 1 A 37 37 GLN HA H 37 4.241 4.176 0.065 1
1 262 . 7 1 1 A 37 37 GLN CA C 37 59.019 59.057 -0.038 1
1 263 . 7 1 1 A 37 37 GLN CB C 37 28.315 28.629 -0.314 1
1 265 . 7 1 1 A 37 37 GLN N N 37 120.072 119.002 1.070 1
1 266 . 7 1 1 A 38 38 GLN H H 38 8.329 7.597 0.732 1
1 267 . 7 1 1 A 38 38 GLN HA H 38 4.040 4.175 -0.135 1
1 274 . 7 1 1 A 38 38 GLN CA C 38 58.734 58.898 -0.164 1
1 275 . 7 1 1 A 38 38 GLN CB C 38 28.549 29.006 -0.457 1
1 277 . 7 1 1 A 38 38 GLN N N 38 120.847 119.545 1.302 1
1 279 . 7 1 1 A 39 39 PHE H H 39 9.453 7.920 1.533 1
1 280 . 7 1 1 A 39 39 PHE HA H 39 2.811 4.211 -1.400 1
1 286 . 7 1 1 A 39 39 PHE CA C 39 61.602 61.383 0.219 1
1 287 . 7 1 1 A 39 39 PHE CB C 39 38.799 38.733 0.066 1
1 291 . 7 1 1 A 39 39 PHE N N 39 123.507 122.313 1.194 1
1 292 . 7 1 1 A 40 40 HIS H H 40 8.096 8.308 -0.212 1
1 293 . 7 1 1 A 40 40 HIS HA H 40 3.884 4.256 -0.372 1
1 297 . 7 1 1 A 40 40 HIS CA C 40 59.910 59.938 -0.028 1
1 298 . 7 1 1 A 40 40 HIS CB C 40 29.558 29.776 -0.218 1
1 300 . 7 1 1 A 40 40 HIS N N 40 114.319 118.493 -4.174 1
1 301 . 7 1 1 A 41 41 SER H H 41 7.818 7.933 -0.115 1
1 302 . 7 1 1 A 41 41 SER HA H 41 4.300 4.183 0.117 1
1 305 . 7 1 1 A 41 41 SER CA C 41 60.851 61.788 -0.937 1
1 306 . 7 1 1 A 41 41 SER CB C 41 62.612 63.247 -0.635 1
1 307 . 7 1 1 A 41 41 SER N N 41 116.677 115.644 1.033 1
1 308 . 7 1 1 A 42 42 LEU H H 42 7.079 7.478 -0.399 1
1 309 . 7 1 1 A 42 42 LEU HA H 42 4.071 4.144 -0.073 1
1 319 . 7 1 1 A 42 42 LEU CA C 42 54.685 54.809 -0.124 1
1 320 . 7 1 1 A 42 42 LEU CB C 42 40.874 41.976 -1.102 1
1 324 . 7 1 1 A 42 42 LEU N N 42 121.868 117.845 4.023 1
1 325 . 7 1 1 A 43 43 LYS H H 43 7.345 7.718 -0.373 1
1 326 . 7 1 1 A 43 43 LYS HA H 43 3.877 3.888 -0.011 1
1 335 . 7 1 1 A 43 43 LYS CA C 43 56.035 56.648 -0.613 1
1 336 . 7 1 1 A 43 43 LYS CB C 43 28.886 30.426 -1.540 1
1 340 . 7 1 1 A 43 43 LYS N N 43 110.393 115.708 -5.315 1
1 341 . 7 1 1 A 44 44 PRO HA H 44 4.239 4.344 -0.105 1
1 348 . 7 1 1 A 44 44 PRO CA C 44 62.424 63.023 -0.599 1
1 349 . 7 1 1 A 44 44 PRO CB C 44 32.413 32.581 -0.168 1
1 352 . 7 1 1 A 45 45 ILE H H 45 8.586 8.120 0.466 1
1 353 . 7 1 1 A 45 45 ILE HA H 45 4.337 3.887 0.450 1
1 363 . 7 1 1 A 45 45 ILE CA C 45 60.170 63.213 -3.043 1
1 364 . 7 1 1 A 45 45 ILE CB C 45 39.143 37.828 1.315 1
1 368 . 7 1 1 A 45 45 ILE N N 45 120.985 122.200 -1.215 1
1 369 . 7 1 1 A 46 46 SER H H 46 9.512 7.521 1.991 1
1 370 . 7 1 1 A 46 46 SER HA H 46 4.055 4.550 -0.495 1
1 373 . 7 1 1 A 46 46 SER CA C 46 58.483 57.411 1.072 1
1 374 . 7 1 1 A 46 46 SER CB C 46 62.174 63.526 -1.352 1
1 375 . 7 1 1 A 46 46 SER N N 46 124.158 110.653 13.505 1
1 376 . 7 1 1 A 47 47 GLY H H 47 8.555 8.550 0.005 1
1 377 . 7 1 1 A 47 47 GLY HA2 H 47 4.020 3.972 0.048 1
1 378 . 7 1 1 A 47 47 GLY HA3 H 47 3.531 3.989 -0.458 1
1 379 . 7 1 1 A 47 47 GLY CA C 47 44.328 45.324 -0.996 1
1 380 . 7 1 1 A 47 47 GLY N N 47 162.194 109.221 52.973 1
1 381 . 7 1 1 A 48 48 PHE H H 48 7.710 7.307 0.403 1
1 382 . 7 1 1 A 48 48 PHE HA H 48 5.783 5.459 0.324 1
1 387 . 7 1 1 A 48 48 PHE CA C 48 56.732 55.718 1.014 1
1 388 . 7 1 1 A 48 48 PHE CB C 48 43.784 41.963 1.821 1
1 391 . 7 1 1 A 48 48 PHE N N 48 115.641 114.672 0.969 1
1 392 . 7 1 1 A 49 49 ILE H H 49 9.141 9.156 -0.015 1
1 393 . 7 1 1 A 49 49 ILE HA H 49 4.908 4.951 -0.043 1
1 403 . 7 1 1 A 49 49 ILE CA C 49 59.368 59.029 0.339 1
1 404 . 7 1 1 A 49 49 ILE CB C 49 39.945 41.370 -1.425 1
1 408 . 7 1 1 A 49 49 ILE N N 49 114.692 116.426 -1.734 1
1 409 . 7 1 1 A 50 50 THR H H 50 8.700 8.258 0.442 1
1 410 . 7 1 1 A 50 50 THR HA H 50 4.473 4.851 -0.378 1
1 415 . 7 1 1 A 50 50 THR CA C 50 60.914 60.995 -0.081 1
1 416 . 7 1 1 A 50 50 THR CB C 50 70.829 71.895 -1.066 1
1 418 . 7 1 1 A 50 50 THR N N 50 112.658 114.112 -1.454 1
1 419 . 7 1 1 A 51 51 GLY H H 51 8.778 9.020 -0.242 1
1 420 . 7 1 1 A 51 51 GLY HA2 H 51 3.790 3.650 0.140 1
1 421 . 7 1 1 A 51 51 GLY HA3 H 51 3.713 3.734 -0.021 1
1 422 . 7 1 1 A 51 51 GLY CA C 51 48.310 47.347 0.963 1
1 423 . 7 1 1 A 51 51 GLY N N 51 108.204 111.346 -3.142 1
1 424 . 7 1 1 A 52 52 ASP H H 52 8.225 8.291 -0.066 1
1 425 . 7 1 1 A 52 52 ASP HA H 52 4.216 4.200 0.016 1
1 428 . 7 1 1 A 52 52 ASP CA C 52 57.344 57.304 0.040 1
1 429 . 7 1 1 A 52 52 ASP CB C 52 40.304 41.343 -1.039 1
1 430 . 7 1 1 A 52 52 ASP N N 52 119.404 121.484 -2.080 1
1 431 . 7 1 1 A 53 53 GLN H H 53 7.810 7.633 0.177 1
1 432 . 7 1 1 A 53 53 GLN HA H 53 3.969 3.960 0.009 1
1 439 . 7 1 1 A 53 53 GLN CA C 53 58.673 58.495 0.178 1
1 440 . 7 1 1 A 53 53 GLN CB C 53 29.794 27.625 2.169 1
1 442 . 7 1 1 A 53 53 GLN N N 53 118.935 116.972 1.963 1
1 444 . 7 1 1 A 54 54 ALA H H 54 8.293 8.391 -0.098 1
1 445 . 7 1 1 A 54 54 ALA HA H 54 3.642 3.981 -0.339 1
1 449 . 7 1 1 A 54 54 ALA CA C 54 55.243 55.025 0.218 1
1 450 . 7 1 1 A 54 54 ALA CB C 54 19.448 17.998 1.450 1
1 451 . 7 1 1 A 54 54 ALA N N 54 120.858 122.818 -1.960 1
1 452 . 7 1 1 A 55 55 ARG H H 55 8.744 7.776 0.968 1
1 453 . 7 1 1 A 55 55 ARG HA H 55 3.795 3.334 0.461 1
1 460 . 7 1 1 A 55 55 ARG CA C 55 60.628 59.133 1.495 1
1 461 . 7 1 1 A 55 55 ARG CB C 55 30.224 29.775 0.449 1
1 464 . 7 1 1 A 55 55 ARG N N 55 115.211 118.105 -2.894 1
1 465 . 7 1 1 A 56 56 ASN H H 56 8.056 7.685 0.371 1
1 466 . 7 1 1 A 56 56 ASN HA H 56 4.470 4.457 0.013 1
1 471 . 7 1 1 A 56 56 ASN CA C 56 56.091 56.164 -0.073 1
1 472 . 7 1 1 A 56 56 ASN CB C 56 38.069 38.806 -0.737 1
1 473 . 7 1 1 A 56 56 ASN N N 56 116.543 117.834 -1.291 1
1 475 . 7 1 1 A 57 57 PHE H H 57 7.567 7.753 -0.186 1
1 476 . 7 1 1 A 57 57 PHE HA H 57 4.517 4.187 0.330 1
1 481 . 7 1 1 A 57 57 PHE CA C 57 61.373 61.355 0.018 1
1 482 . 7 1 1 A 57 57 PHE CB C 57 39.518 39.109 0.409 1
1 485 . 7 1 1 A 57 57 PHE N N 57 121.111 120.218 0.893 1
1 486 . 7 1 1 A 58 58 PHE H H 58 8.995 7.173 1.822 1
1 487 . 7 1 1 A 58 58 PHE HA H 58 4.501 4.426 0.075 1
1 491 . 7 1 1 A 58 58 PHE CA C 58 57.190 58.628 -1.438 1
1 492 . 7 1 1 A 58 58 PHE CB C 58 37.236 37.814 -0.578 1
1 494 . 7 1 1 A 58 58 PHE N N 58 119.594 117.319 2.275 1
1 495 . 7 1 1 A 59 59 PHE H H 59 8.510 8.105 0.405 1
1 496 . 7 1 1 A 59 59 PHE HA H 59 4.296 4.262 0.034 1
1 500 . 7 1 1 A 59 59 PHE CA C 59 60.456 61.575 -1.119 1
1 501 . 7 1 1 A 59 59 PHE CB C 59 38.914 38.881 0.033 1
1 503 . 7 1 1 A 59 59 PHE N N 59 120.834 122.157 -1.323 1
1 504 . 7 1 1 A 60 60 GLN H H 60 7.652 8.387 -0.735 1
1 505 . 7 1 1 A 60 60 GLN HA H 60 4.056 4.000 0.056 1
1 512 . 7 1 1 A 60 60 GLN CA C 60 57.133 57.348 -0.215 1
1 513 . 7 1 1 A 60 60 GLN CB C 60 27.771 27.213 0.558 1
1 515 . 7 1 1 A 60 60 GLN N N 60 116.464 117.016 -0.552 1
1 517 . 7 1 1 A 61 61 SER H H 61 7.823 7.329 0.494 1
1 518 . 7 1 1 A 61 61 SER HA H 61 3.985 4.425 -0.440 1
1 521 . 7 1 1 A 61 61 SER CA C 61 60.571 58.288 2.283 1
1 522 . 7 1 1 A 61 61 SER CB C 61 65.277 63.637 1.640 1
1 523 . 7 1 1 A 61 61 SER N N 61 113.448 114.994 -1.546 1
1 524 . 7 1 1 A 62 62 GLY H H 62 7.478 7.907 -0.429 1
1 525 . 7 1 1 A 62 62 GLY HA2 H 62 4.115 3.733 0.382 1
1 526 . 7 1 1 A 62 62 GLY HA3 H 62 3.699 3.822 -0.123 1
1 527 . 7 1 1 A 62 62 GLY CA C 62 45.445 45.657 -0.212 1
1 528 . 7 1 1 A 62 62 GLY N N 62 108.189 109.567 -1.378 1
1 529 . 7 1 1 A 63 63 LEU H H 63 7.282 7.992 -0.710 1
1 530 . 7 1 1 A 63 63 LEU HA H 63 4.471 4.636 -0.165 1
1 540 . 7 1 1 A 63 63 LEU CA C 63 52.971 52.248 0.723 1
1 541 . 7 1 1 A 63 63 LEU CB C 63 41.597 41.696 -0.099 1
1 545 . 7 1 1 A 63 63 LEU N N 63 120.356 121.969 -1.613 1
1 546 . 7 1 1 A 64 64 PRO HA H 64 4.559 4.588 -0.029 1
1 553 . 7 1 1 A 64 64 PRO CA C 64 63.039 62.915 0.124 1
1 554 . 7 1 1 A 64 64 PRO CB C 64 33.402 32.680 0.722 1
1 557 . 7 1 1 A 65 65 GLN H H 65 9.289 8.685 0.604 1
1 558 . 7 1 1 A 65 65 GLN HA H 65 4.194 4.137 0.057 1
1 563 . 7 1 1 A 65 65 GLN CA C 65 61.180 60.296 0.884 1
1 564 . 7 1 1 A 65 65 GLN CB C 65 25.845 27.983 -2.138 1
1 566 . 7 1 1 A 65 65 GLN N N 65 122.729 121.944 0.785 1
1 567 . 7 1 1 A 66 66 PRO HA H 66 4.399 4.376 0.023 1
1 574 . 7 1 1 A 66 66 PRO CA C 66 65.956 65.606 0.350 1
1 575 . 7 1 1 A 66 66 PRO CB C 66 30.665 30.956 -0.291 1
1 578 . 7 1 1 A 67 67 VAL H H 67 6.875 7.237 -0.362 1
1 579 . 7 1 1 A 67 67 VAL HA H 67 3.930 3.741 0.189 1
1 587 . 7 1 1 A 67 67 VAL CA C 67 64.811 65.366 -0.555 1
1 588 . 7 1 1 A 67 67 VAL CB C 67 31.581 31.484 0.097 1
1 591 . 7 1 1 A 67 67 VAL N N 67 117.350 116.567 0.783 1
1 592 . 7 1 1 A 68 68 LEU H H 68 7.965 8.174 -0.209 1
1 593 . 7 1 1 A 68 68 LEU HA H 68 3.955 3.696 0.259 1
1 603 . 7 1 1 A 68 68 LEU CA C 68 57.878 57.604 0.274 1
1 604 . 7 1 1 A 68 68 LEU CB C 68 40.821 41.493 -0.672 1
1 608 . 7 1 1 A 68 68 LEU N N 68 119.980 119.446 0.534 1
1 609 . 7 1 1 A 69 69 ALA H H 69 8.577 8.737 -0.160 1
1 610 . 7 1 1 A 69 69 ALA HA H 69 4.375 4.043 0.332 1
1 614 . 7 1 1 A 69 69 ALA CA C 69 55.128 55.158 -0.030 1
1 615 . 7 1 1 A 69 69 ALA CB C 69 17.533 18.156 -0.623 1
1 616 . 7 1 1 A 69 69 ALA N N 69 122.731 121.341 1.390 1
1 617 . 7 1 1 A 70 70 GLN H H 70 7.534 7.691 -0.157 1
1 618 . 7 1 1 A 70 70 GLN HA H 70 4.190 4.055 0.135 1
1 625 . 7 1 1 A 70 70 GLN CA C 70 58.623 59.024 -0.401 1
1 626 . 7 1 1 A 70 70 GLN CB C 70 28.349 28.667 -0.318 1
1 628 . 7 1 1 A 70 70 GLN N N 70 120.846 117.645 3.201 1
1 630 . 7 1 1 A 71 71 ILE H H 71 8.170 7.684 0.486 1
1 631 . 7 1 1 A 71 71 ILE HA H 71 3.455 3.671 -0.216 1
1 641 . 7 1 1 A 71 71 ILE CA C 71 66.530 65.395 1.135 1
1 642 . 7 1 1 A 71 71 ILE CB C 71 37.768 37.675 0.093 1
1 646 . 7 1 1 A 71 71 ILE N N 71 120.351 119.815 0.536 1
1 647 . 7 1 1 A 72 72 TRP H H 72 8.473 7.912 0.561 1
1 648 . 7 1 1 A 72 72 TRP HA H 72 3.845 4.254 -0.409 1
1 657 . 7 1 1 A 72 72 TRP CA C 72 61.144 61.226 -0.082 1
1 658 . 7 1 1 A 72 72 TRP CB C 72 28.496 29.253 -0.757 1
1 664 . 7 1 1 A 72 72 TRP N N 72 119.417 121.754 -2.337 1
1 666 . 7 1 1 A 73 73 ALA H H 73 7.647 8.341 -0.694 1
1 667 . 7 1 1 A 73 73 ALA HA H 73 4.012 3.845 0.167 1
1 671 . 7 1 1 A 73 73 ALA CA C 73 54.154 54.964 -0.810 1
1 672 . 7 1 1 A 73 73 ALA CB C 73 18.059 18.012 0.047 1
1 673 . 7 1 1 A 73 73 ALA N N 73 116.148 121.354 -5.206 1
1 674 . 7 1 1 A 74 74 LEU H H 74 7.493 8.123 -0.630 1
1 675 . 7 1 1 A 74 74 LEU HA H 74 3.947 4.019 -0.072 1
1 685 . 7 1 1 A 74 74 LEU CA C 74 56.478 57.597 -1.119 1
1 686 . 7 1 1 A 74 74 LEU CB C 74 43.726 41.568 2.158 1
1 690 . 7 1 1 A 74 74 LEU N N 74 115.647 120.810 -5.163 1
1 691 . 7 1 1 A 75 75 ALA H H 75 7.952 7.739 0.213 1
1 692 . 7 1 1 A 75 75 ALA HA H 75 4.019 4.200 -0.181 1
1 696 . 7 1 1 A 75 75 ALA CA C 75 53.982 55.348 -1.366 1
1 697 . 7 1 1 A 75 75 ALA CB C 75 19.913 18.859 1.054 1
1 698 . 7 1 1 A 75 75 ALA N N 75 118.000 120.554 -2.554 1
1 699 . 7 1 1 A 76 76 ASP H H 76 7.798 7.783 0.015 1
1 700 . 7 1 1 A 76 76 ASP HA H 76 4.587 4.704 -0.117 1
1 703 . 7 1 1 A 76 76 ASP CA C 76 51.849 53.418 -1.569 1
1 704 . 7 1 1 A 76 76 ASP CB C 76 36.265 40.302 -4.037 1
1 705 . 7 1 1 A 76 76 ASP N N 76 114.297 114.910 -0.613 1
1 706 . 7 1 1 A 77 77 MET H H 77 8.077 8.180 -0.103 1
1 707 . 7 1 1 A 77 77 MET HA H 77 3.867 4.052 -0.185 1
1 715 . 7 1 1 A 77 77 MET CA C 77 59.024 58.160 0.864 1
1 716 . 7 1 1 A 77 77 MET CB C 77 34.550 31.771 2.779 1
1 719 . 7 1 1 A 77 77 MET N N 77 123.959 124.744 -0.785 1
1 720 . 7 1 1 A 78 78 ASN H H 78 7.801 7.776 0.025 1
1 721 . 7 1 1 A 78 78 ASN HA H 78 4.839 4.783 0.056 1
1 726 . 7 1 1 A 78 78 ASN CA C 78 50.889 52.948 -2.059 1
1 727 . 7 1 1 A 78 78 ASN CB C 78 37.028 39.033 -2.005 1
1 728 . 7 1 1 A 78 78 ASN N N 78 112.247 116.970 -4.723 1
1 730 . 7 1 1 A 79 79 ASN H H 79 8.019 8.707 -0.688 1
1 731 . 7 1 1 A 79 79 ASN HA H 79 4.380 4.287 0.093 1
1 736 . 7 1 1 A 79 79 ASN CA C 79 54.319 53.836 0.483 1
1 737 . 7 1 1 A 79 79 ASN CB C 79 37.867 36.739 1.128 1
1 738 . 7 1 1 A 79 79 ASN N N 79 116.050 117.162 -1.112 1
1 740 . 7 1 1 A 80 80 ASP H H 80 8.019 8.055 -0.036 1
1 741 . 7 1 1 A 80 80 ASP HA H 80 4.784 4.612 0.172 1
1 744 . 7 1 1 A 80 80 ASP CA C 80 52.672 54.632 -1.960 1
1 745 . 7 1 1 A 80 80 ASP CB C 80 41.585 41.703 -0.118 1
1 746 . 7 1 1 A 80 80 ASP N N 80 115.620 123.039 -7.419 1
1 747 . 7 1 1 A 81 81 GLY H H 81 10.345 8.409 1.936 1
1 748 . 7 1 1 A 81 81 GLY HA2 H 81 4.339 4.096 0.243 1
1 749 . 7 1 1 A 81 81 GLY HA3 H 81 4.044 4.364 -0.320 1
1 750 . 7 1 1 A 81 81 GLY CA C 81 46.560 45.886 0.674 1
1 751 . 7 1 1 A 81 81 GLY N N 81 112.191 107.207 4.984 1
1 752 . 7 1 1 A 82 82 ARG H H 82 8.365 8.312 0.053 1
1 753 . 7 1 1 A 82 82 ARG HA H 82 5.105 4.569 0.536 1
1 760 . 7 1 1 A 82 82 ARG CA C 82 53.982 56.083 -2.101 1
1 761 . 7 1 1 A 82 82 ARG CB C 82 33.303 32.090 1.213 1
1 764 . 7 1 1 A 82 82 ARG N N 82 117.518 118.921 -1.403 1
1 765 . 7 1 1 A 83 83 MET H H 83 9.038 8.220 0.818 1
1 766 . 7 1 1 A 83 83 MET HA H 83 6.142 4.305 1.837 1
1 774 . 7 1 1 A 83 83 MET CA C 83 55.586 56.361 -0.775 1
1 775 . 7 1 1 A 83 83 MET CB C 83 38.610 31.313 7.297 1
1 778 . 7 1 1 A 83 83 MET N N 83 120.510 118.815 1.695 1
1 779 . 7 1 1 A 84 84 ASP H H 84 7.586 8.724 -1.138 1
1 780 . 7 1 1 A 84 84 ASP HA H 84 5.259 4.824 0.435 1
1 783 . 7 1 1 A 84 84 ASP CA C 84 51.182 53.087 -1.905 1
1 784 . 7 1 1 A 84 84 ASP CB C 84 42.047 42.500 -0.453 1
1 785 . 7 1 1 A 84 84 ASP N N 84 122.321 126.700 -4.379 1
1 786 . 7 1 1 A 85 85 GLN H H 85 7.988 8.605 -0.617 1
1 787 . 7 1 1 A 85 85 GLN HA H 85 2.609 4.003 -1.394 1
1 794 . 7 1 1 A 85 85 GLN CA C 85 58.909 59.294 -0.385 1
1 795 . 7 1 1 A 85 85 GLN CB C 85 29.346 28.260 1.086 1
1 797 . 7 1 1 A 85 85 GLN N N 85 115.617 123.791 -8.174 1
1 799 . 7 1 1 A 86 86 VAL H H 86 7.357 7.590 -0.233 1
1 800 . 7 1 1 A 86 86 VAL HA H 86 3.557 3.550 0.007 1
1 808 . 7 1 1 A 86 86 VAL CA C 86 66.117 66.839 -0.722 1
1 809 . 7 1 1 A 86 86 VAL CB C 86 31.538 31.676 -0.138 1
1 812 . 7 1 1 A 86 86 VAL N N 86 120.551 120.499 0.052 1
1 813 . 7 1 1 A 87 87 GLU H H 87 8.375 8.288 0.087 1
1 814 . 7 1 1 A 87 87 GLU HA H 87 3.908 4.159 -0.251 1
1 819 . 7 1 1 A 87 87 GLU CA C 87 59.424 59.382 0.042 1
1 820 . 7 1 1 A 87 87 GLU CB C 87 31.466 29.377 2.089 1
1 822 . 7 1 1 A 87 87 GLU N N 87 119.417 119.597 -0.180 1
1 823 . 7 1 1 A 88 88 PHE H H 88 8.482 8.761 -0.279 1
1 824 . 7 1 1 A 88 88 PHE HA H 88 4.427 4.339 0.088 1
1 828 . 7 1 1 A 88 88 PHE CA C 88 62.061 61.136 0.925 1
1 829 . 7 1 1 A 88 88 PHE CB C 88 40.726 39.147 1.579 1
1 831 . 7 1 1 A 88 88 PHE N N 88 117.094 122.347 -5.253 1
1 832 . 7 1 1 A 89 89 SER H H 89 7.490 8.709 -1.219 1
1 833 . 7 1 1 A 89 89 SER HA H 89 4.763 4.495 0.268 1
1 836 . 7 1 1 A 89 89 SER CA C 89 59.783 62.311 -2.528 1
1 837 . 7 1 1 A 89 89 SER CB C 89 59.544 63.117 -3.573 1
1 838 . 7 1 1 A 89 89 SER N N 89 113.424 115.021 -1.597 1
1 839 . 7 1 1 A 90 90 ILE H H 90 8.034 7.645 0.389 1
1 840 . 7 1 1 A 90 90 ILE HA H 90 3.506 4.146 -0.640 1
1 850 . 7 1 1 A 90 90 ILE CA C 90 66.098 62.568 3.530 1
1 851 . 7 1 1 A 90 90 ILE CB C 90 37.905 38.599 -0.694 1
1 855 . 7 1 1 A 90 90 ILE N N 90 118.472 121.128 -2.656 1
1 856 . 7 1 1 A 91 91 ALA H H 91 8.197 7.455 0.742 1
1 857 . 7 1 1 A 91 91 ALA HA H 91 4.286 4.512 -0.226 1
1 861 . 7 1 1 A 91 91 ALA CA C 91 52.435 52.916 -0.481 1
1 862 . 7 1 1 A 91 91 ALA CB C 91 19.091 20.053 -0.962 1
1 863 . 7 1 1 A 91 91 ALA N N 91 119.275 124.349 -5.074 1
1 864 . 7 1 1 A 92 92 MET H H 92 8.183 8.251 -0.068 1
1 865 . 7 1 1 A 92 92 MET HA H 92 4.268 4.245 0.023 1
1 870 . 7 1 1 A 92 92 MET CA C 92 55.643 58.137 -2.494 1
1 871 . 7 1 1 A 92 92 MET CB C 92 29.521 31.922 -2.401 1
1 873 . 7 1 1 A 92 92 MET N N 92 118.681 116.171 2.510 1
1 874 . 7 1 1 A 93 93 LYS H H 93 8.172 8.070 0.102 1
1 875 . 7 1 1 A 93 93 LYS HA H 93 4.006 4.300 -0.294 1
1 878 . 7 1 1 A 93 93 LYS CA C 93 56.840 58.087 -1.247 1
1 879 . 7 1 1 A 93 93 LYS CB C 93 32.830 32.842 -0.012 1
1 880 . 7 1 1 A 93 93 LYS N N 93 120.362 118.117 2.245 1
1 881 . 7 1 1 A 94 94 LEU H H 94 8.017 7.781 0.236 1
1 882 . 7 1 1 A 94 94 LEU HA H 94 3.884 4.151 -0.267 1
1 892 . 7 1 1 A 94 94 LEU CA C 94 58.234 57.975 0.259 1
1 893 . 7 1 1 A 94 94 LEU CB C 94 42.050 41.607 0.443 1
1 897 . 7 1 1 A 94 94 LEU N N 94 114.192 122.031 -7.839 1
1 898 . 7 1 1 A 95 95 ILE H H 95 8.377 7.768 0.609 1
1 899 . 7 1 1 A 95 95 ILE HA H 95 3.254 3.568 -0.314 1
1 909 . 7 1 1 A 95 95 ILE CA C 95 66.013 65.632 0.381 1
1 910 . 7 1 1 A 95 95 ILE CB C 95 38.284 37.898 0.386 1
1 914 . 7 1 1 A 95 95 ILE N N 95 118.949 119.429 -0.480 1
1 915 . 7 1 1 A 96 96 LYS H H 96 7.751 8.121 -0.370 1
1 916 . 7 1 1 A 96 96 LYS HA H 96 3.928 4.025 -0.097 1
1 925 . 7 1 1 A 96 96 LYS CA C 96 59.701 59.734 -0.033 1
1 926 . 7 1 1 A 96 96 LYS CB C 96 32.286 31.873 0.413 1
1 930 . 7 1 1 A 96 96 LYS N N 96 119.637 121.126 -1.489 1
1 931 . 7 1 1 A 97 97 LEU H H 97 8.382 7.996 0.386 1
1 932 . 7 1 1 A 97 97 LEU HA H 97 4.006 4.013 -0.007 1
1 942 . 7 1 1 A 97 97 LEU CA C 97 57.363 57.155 0.208 1
1 943 . 7 1 1 A 97 97 LEU CB C 97 40.459 40.964 -0.505 1
1 947 . 7 1 1 A 97 97 LEU N N 97 117.727 119.264 -1.537 1
1 948 . 7 1 1 A 98 98 LYS H H 98 8.761 8.090 0.671 1
1 949 . 7 1 1 A 98 98 LYS HA H 98 4.548 4.125 0.423 1
1 958 . 7 1 1 A 98 98 LYS CA C 98 57.477 59.419 -1.942 1
1 959 . 7 1 1 A 98 98 LYS CB C 98 31.294 32.222 -0.928 1
1 963 . 7 1 1 A 98 98 LYS N N 98 122.255 120.059 2.196 1
1 964 . 7 1 1 A 99 99 LEU H H 99 8.798 8.456 0.342 1
1 965 . 7 1 1 A 99 99 LEU HA H 99 4.100 4.042 0.058 1
1 975 . 7 1 1 A 99 99 LEU CA C 99 57.878 57.406 0.472 1
1 976 . 7 1 1 A 99 99 LEU CB C 99 41.605 41.009 0.596 1
1 980 . 7 1 1 A 99 99 LEU N N 99 122.214 120.325 1.889 1
1 981 . 7 1 1 A 100 100 GLN H H 100 7.749 7.597 0.152 1
1 982 . 7 1 1 A 100 100 GLN HA H 100 4.285 4.389 -0.104 1
1 989 . 7 1 1 A 100 100 GLN CA C 100 56.503 55.688 0.815 1
1 990 . 7 1 1 A 100 100 GLN CB C 100 29.576 29.208 0.368 1
1 992 . 7 1 1 A 100 100 GLN N N 100 116.914 116.615 0.299 1
1 993 . 7 1 1 A 101 101 GLY H H 101 7.910 8.064 -0.154 1
1 994 . 7 1 1 A 101 101 GLY HA2 H 101 4.262 3.894 0.368 1
1 995 . 7 1 1 A 101 101 GLY HA3 H 101 3.661 3.945 -0.284 1
1 996 . 7 1 1 A 101 101 GLY CA C 101 44.884 46.388 -1.504 1
1 997 . 7 1 1 A 101 101 GLY N N 101 106.044 108.988 -2.944 1
1 998 . 7 1 1 A 102 102 TYR H H 102 8.078 7.561 0.517 1
1 999 . 7 1 1 A 102 102 TYR HA H 102 4.311 4.643 -0.332 1
1 1006 . 7 1 1 A 102 102 TYR CA C 102 59.253 57.953 1.300 1
1 1007 . 7 1 1 A 102 102 TYR CB C 102 37.849 40.254 -2.405 1
1 1010 . 7 1 1 A 102 102 TYR N N 102 120.876 117.990 2.886 1
1 1011 . 7 1 1 A 103 103 GLN H H 103 8.610 8.648 -0.038 1
1 1012 . 7 1 1 A 103 103 GLN HA H 103 4.280 4.414 -0.134 1
1 1015 . 7 1 1 A 103 103 GLN CA C 103 56.620 56.922 -0.302 1
1 1016 . 7 1 1 A 103 103 GLN CB C 103 29.100 29.732 -0.632 1
1 1017 . 7 1 1 A 103 103 GLN N N 103 119.785 121.300 -1.515 1
1 1018 . 7 1 1 A 105 105 PRO HA H 105 4.631 4.783 -0.152 1
1 1025 . 7 1 1 A 105 105 PRO CA C 105 61.602 62.506 -0.904 1
1 1026 . 7 1 1 A 105 105 PRO CB C 105 31.690 33.566 -1.876 1
1 1029 . 7 1 1 A 106 106 SER H H 106 8.485 8.269 0.216 1
1 1030 . 7 1 1 A 106 106 SER HA H 106 4.183 4.637 -0.454 1
1 1033 . 7 1 1 A 106 106 SER CA C 106 59.525 57.863 1.662 1
1 1034 . 7 1 1 A 106 106 SER CB C 106 63.078 64.326 -1.248 1
1 1035 . 7 1 1 A 106 106 SER N N 106 112.361 110.944 1.417 1
1 1036 . 7 1 1 A 107 107 ALA H H 107 7.410 7.679 -0.269 1
1 1037 . 7 1 1 A 107 107 ALA HA H 107 4.308 4.767 -0.459 1
1 1041 . 7 1 1 A 107 107 ALA CA C 107 50.086 49.956 0.130 1
1 1042 . 7 1 1 A 107 107 ALA CB C 107 21.253 22.518 -1.265 1
1 1043 . 7 1 1 A 107 107 ALA N N 107 121.311 122.651 -1.340 1
1 1044 . 7 1 1 A 108 108 LEU H H 108 8.915 8.594 0.321 1
1 1045 . 7 1 1 A 108 108 LEU HA H 108 4.020 4.597 -0.577 1
1 1055 . 7 1 1 A 108 108 LEU CA C 108 52.990 52.638 0.352 1
1 1056 . 7 1 1 A 108 108 LEU CB C 108 42.041 40.919 1.122 1
1 1060 . 7 1 1 A 108 108 LEU N N 108 122.607 121.726 0.881 1
1 1061 . 7 1 1 A 110 110 PRO HA H 110 4.024 4.407 -0.383 1
1 1068 . 7 1 1 A 110 110 PRO CA C 110 65.440 64.494 0.946 1
1 1069 . 7 1 1 A 110 110 PRO CB C 110 31.638 31.969 -0.331 1
1 1072 . 7 1 1 A 111 111 VAL H H 111 8.118 7.389 0.729 1
1 1073 . 7 1 1 A 111 111 VAL HA H 111 3.986 3.919 0.067 1
1 1081 . 7 1 1 A 111 111 VAL CA C 111 63.779 64.865 -1.086 1
1 1082 . 7 1 1 A 111 111 VAL CB C 111 31.065 31.322 -0.257 1
1 1085 . 7 1 1 A 111 111 VAL N N 111 115.605 116.402 -0.797 1
1 1086 . 7 1 1 A 112 112 MET H H 112 7.908 8.055 -0.147 1
1 1087 . 7 1 1 A 112 112 MET HA H 112 4.160 4.421 -0.261 1
1 1095 . 7 1 1 A 112 112 MET CA C 112 59.098 57.385 1.713 1
1 1096 . 7 1 1 A 112 112 MET CB C 112 34.024 31.508 2.516 1
1 1099 . 7 1 1 A 112 112 MET N N 112 118.943 118.113 0.830 1
1 1100 . 7 1 1 A 113 113 LYS H H 113 7.330 7.854 -0.524 1
1 1101 . 7 1 1 A 113 113 LYS HA H 113 4.182 4.187 -0.005 1
1 1110 . 7 1 1 A 113 113 LYS CA C 113 55.987 57.985 -1.998 1
1 1111 . 7 1 1 A 113 113 LYS CB C 113 32.841 32.289 0.552 1
1 1115 . 7 1 1 A 113 113 LYS N N 113 112.617 117.016 -4.399 1
1 1116 . 7 1 1 A 114 114 GLN H H 114 7.114 8.036 -0.922 1
1 1117 . 7 1 1 A 114 114 GLN HA H 114 4.309 3.980 0.329 1
1 1124 . 7 1 1 A 114 114 GLN CA C 114 54.956 58.242 -3.286 1
1 1125 . 7 1 1 A 114 114 GLN CB C 114 29.241 27.320 1.921 1
1 1127 . 7 1 1 A 114 114 GLN N N 114 117.852 113.979 3.873 1
1 1129 . 7 1 1 A 115 115 GLN H H 115 8.556 7.761 0.795 1
1 1130 . 7 1 1 A 115 115 GLN HA H 115 4.501 4.438 0.063 1
1 1137 . 7 1 1 A 115 115 GLN CA C 115 53.858 54.129 -0.271 1
1 1138 . 7 1 1 A 115 115 GLN CB C 115 28.234 29.763 -1.529 1
1 1140 . 7 1 1 A 115 115 GLN N N 115 123.195 122.929 0.266 1
1 1142 . 7 1 1 A 116 116 PRO HA H 116 4.530 4.847 -0.317 1
1 1149 . 7 1 1 A 116 116 PRO CA C 116 63.050 62.252 0.798 1
1 1150 . 7 1 1 A 116 116 PRO CB C 116 31.953 31.977 -0.024 1
1 1153 . 7 1 1 A 117 117 VAL H H 117 8.345 8.192 0.153 1
1 1154 . 7 1 1 A 117 117 VAL HA H 117 4.167 4.559 -0.392 1
1 1162 . 7 1 1 A 117 117 VAL CA C 117 61.258 59.997 1.261 1
1 1163 . 7 1 1 A 117 117 VAL CB C 117 33.724 33.349 0.375 1
1 1166 . 7 1 1 A 117 117 VAL N N 117 120.361 116.955 3.406 1
1 1167 . 7 1 1 A 118 118 ALA H H 118 8.470 8.643 -0.173 1
1 1168 . 7 1 1 A 118 118 ALA HA H 118 4.452 4.300 0.152 1
1 1172 . 7 1 1 A 118 118 ALA CA C 118 51.678 51.750 -0.072 1
1 1173 . 7 1 1 A 118 118 ALA CB C 118 19.260 17.406 1.854 1
1 1174 . 7 1 1 A 118 118 ALA N N 118 128.412 127.394 1.018 1
1 1175 . 7 1 1 A 119 119 ILE H H 119 8.250 7.905 0.345 1
1 1176 . 7 1 1 A 119 119 ILE HA H 119 4.240 4.844 -0.604 1
1 1186 . 7 1 1 A 119 119 ILE CA C 119 60.743 60.106 0.637 1
1 1187 . 7 1 1 A 119 119 ILE CB C 119 38.914 40.752 -1.838 1
1 1191 . 7 1 1 A 119 119 ILE N N 119 120.929 122.146 -1.217 1
1 1192 . 7 1 1 A 120 120 SER H H 120 8.413 8.822 -0.409 1
1 1193 . 7 1 1 A 120 120 SER HA H 120 4.543 5.008 -0.465 1
1 1196 . 7 1 1 A 120 120 SER CA C 120 57.878 57.571 0.307 1
1 1197 . 7 1 1 A 120 120 SER CB C 120 63.951 67.371 -3.420 1
1 1198 . 7 1 1 A 120 120 SER N N 120 120.494 124.013 -3.519 1
1 1 . 8 1 1 A 12 12 ALA H H 12 8.223 8.701 -0.478 1
1 2 . 8 1 1 A 12 12 ALA HA H 12 4.220 4.102 0.118 1
1 6 . 8 1 1 A 12 12 ALA CA C 12 52.323 53.068 -0.745 1
1 7 . 8 1 1 A 12 12 ALA CB C 12 19.015 17.927 1.088 1
1 8 . 8 1 1 A 12 12 ALA N N 12 124.624 124.601 0.023 1
1 9 . 8 1 1 A 13 13 GLN H H 13 8.220 8.359 -0.139 1
1 10 . 8 1 1 A 13 13 GLN HA H 13 4.292 4.465 -0.173 1
1 13 . 8 1 1 A 13 13 GLN CA C 13 55.457 54.402 1.055 1
1 14 . 8 1 1 A 13 13 GLN CB C 13 29.804 28.505 1.299 1
1 15 . 8 1 1 A 13 13 GLN N N 13 119.119 119.344 -0.225 1
1 16 . 8 1 1 A 14 14 PHE H H 14 8.109 8.415 -0.306 1
1 17 . 8 1 1 A 14 14 PHE HA H 14 4.559 5.456 -0.897 1
1 20 . 8 1 1 A 14 14 PHE CA C 14 58.250 54.529 3.721 1
1 21 . 8 1 1 A 14 14 PHE CB C 14 39.950 40.597 -0.647 1
1 22 . 8 1 1 A 14 14 PHE N N 14 121.712 123.074 -1.362 1
1 23 . 8 1 1 A 15 15 PRO HA H 15 4.492 4.750 -0.258 1
1 30 . 8 1 1 A 15 15 PRO CA C 15 63.047 62.627 0.420 1
1 31 . 8 1 1 A 15 15 PRO CB C 15 31.810 31.821 -0.011 1
1 34 . 8 1 1 A 16 16 THR H H 16 8.197 8.355 -0.158 1
1 35 . 8 1 1 A 16 16 THR HA H 16 4.614 5.050 -0.436 1
1 40 . 8 1 1 A 16 16 THR CA C 16 59.526 58.712 0.814 1
1 41 . 8 1 1 A 16 16 THR CB C 16 69.603 70.501 -0.898 1
1 43 . 8 1 1 A 16 16 THR N N 16 115.700 112.708 2.992 1
1 44 . 8 1 1 A 17 17 PRO HA H 17 4.360 4.595 -0.235 1
1 51 . 8 1 1 A 17 17 PRO CA C 17 63.321 62.130 1.191 1
1 52 . 8 1 1 A 17 17 PRO CB C 17 31.680 33.065 -1.385 1
1 55 . 8 1 1 A 18 18 PHE H H 18 8.212 8.589 -0.377 1
1 56 . 8 1 1 A 18 18 PHE HA H 18 4.589 4.910 -0.321 1
1 64 . 8 1 1 A 18 18 PHE CA C 18 57.648 56.094 1.554 1
1 65 . 8 1 1 A 18 18 PHE CB C 18 39.165 39.441 -0.276 1
1 69 . 8 1 1 A 18 18 PHE N N 18 119.185 120.384 -1.199 1
1 70 . 8 1 1 A 19 19 GLY H H 19 8.250 8.622 -0.372 1
1 71 . 8 1 1 A 19 19 GLY HA2 H 19 3.943 4.047 -0.104 1
1 72 . 8 1 1 A 19 19 GLY HA3 H 19 3.935 4.068 -0.133 1
1 73 . 8 1 1 A 19 19 GLY CA C 19 45.100 46.349 -1.249 1
1 74 . 8 1 1 A 19 19 GLY N N 19 110.566 112.744 -2.178 1
1 75 . 8 1 1 A 20 20 GLY H H 20 7.873 8.224 -0.351 1
1 76 . 8 1 1 A 20 20 GLY HA2 H 20 3.964 3.966 -0.002 1
1 77 . 8 1 1 A 20 20 GLY HA3 H 20 3.955 3.988 -0.033 1
1 78 . 8 1 1 A 20 20 GLY CA C 20 45.056 46.150 -1.094 1
1 79 . 8 1 1 A 20 20 GLY N N 20 108.171 108.290 -0.119 1
1 80 . 8 1 1 A 21 21 SER H H 21 8.274 8.272 0.002 1
1 81 . 8 1 1 A 21 21 SER HA H 21 4.523 4.654 -0.131 1
1 84 . 8 1 1 A 21 21 SER CA C 21 57.951 57.930 0.021 1
1 85 . 8 1 1 A 21 21 SER CB C 21 63.946 63.441 0.505 1
1 86 . 8 1 1 A 21 21 SER N N 21 115.180 115.152 0.028 1
1 87 . 8 1 1 A 22 22 LEU H H 22 8.435 8.029 0.406 1
1 88 . 8 1 1 A 22 22 LEU HA H 22 4.302 4.021 0.281 1
1 98 . 8 1 1 A 22 22 LEU CA C 22 55.846 55.749 0.097 1
1 99 . 8 1 1 A 22 22 LEU CB C 22 42.229 40.546 1.683 1
1 103 . 8 1 1 A 22 22 LEU N N 22 123.998 121.136 2.862 1
1 104 . 8 1 1 A 23 23 ASP H H 23 8.291 8.650 -0.359 1
1 105 . 8 1 1 A 23 23 ASP HA H 23 4.494 4.804 -0.310 1
1 108 . 8 1 1 A 23 23 ASP CA C 23 54.981 53.961 1.020 1
1 109 . 8 1 1 A 23 23 ASP CB C 23 41.190 39.284 1.906 1
1 110 . 8 1 1 A 23 23 ASP N N 23 120.385 125.829 -5.444 1
1 111 . 8 1 1 A 24 24 THR H H 24 8.010 8.068 -0.058 1
1 112 . 8 1 1 A 24 24 THR HA H 24 3.770 4.326 -0.556 1
1 117 . 8 1 1 A 24 24 THR CA C 24 64.590 63.957 0.633 1
1 118 . 8 1 1 A 24 24 THR CB C 24 69.620 69.909 -0.289 1
1 120 . 8 1 1 A 24 24 THR N N 24 117.799 117.694 0.105 1
1 121 . 8 1 1 A 25 25 TRP H H 25 7.780 7.530 0.250 1
1 122 . 8 1 1 A 25 25 TRP HA H 25 4.012 4.455 -0.443 1
1 131 . 8 1 1 A 25 25 TRP CA C 25 57.837 58.723 -0.886 1
1 132 . 8 1 1 A 25 25 TRP CB C 25 28.842 29.789 -0.947 1
1 138 . 8 1 1 A 25 25 TRP N N 25 118.659 119.226 -0.567 1
1 140 . 8 1 1 A 26 26 ALA H H 26 7.101 7.557 -0.456 1
1 141 . 8 1 1 A 26 26 ALA HA H 26 3.949 4.375 -0.426 1
1 145 . 8 1 1 A 26 26 ALA CA C 26 52.102 52.392 -0.290 1
1 146 . 8 1 1 A 26 26 ALA CB C 26 18.840 20.215 -1.375 1
1 147 . 8 1 1 A 26 26 ALA N N 26 117.054 121.942 -4.888 1
1 148 . 8 1 1 A 27 27 ILE H H 27 8.687 8.559 0.128 1
1 149 . 8 1 1 A 27 27 ILE HA H 27 4.332 4.449 -0.117 1
1 159 . 8 1 1 A 27 27 ILE CA C 27 61.430 60.803 0.627 1
1 160 . 8 1 1 A 27 27 ILE CB C 27 38.550 37.054 1.496 1
1 164 . 8 1 1 A 27 27 ILE N N 27 125.107 121.351 3.756 1
1 165 . 8 1 1 A 28 28 THR H H 28 8.981 8.405 0.576 1
1 166 . 8 1 1 A 28 28 THR HA H 28 4.760 4.477 0.283 1
1 171 . 8 1 1 A 28 28 THR CA C 28 60.685 62.552 -1.867 1
1 172 . 8 1 1 A 28 28 THR CB C 28 71.252 69.636 1.616 1
1 174 . 8 1 1 A 28 28 THR N N 28 118.938 122.263 -3.325 1
1 175 . 8 1 1 A 29 29 VAL H H 29 8.612 8.726 -0.114 1
1 176 . 8 1 1 A 29 29 VAL HA H 29 3.532 3.907 -0.375 1
1 184 . 8 1 1 A 29 29 VAL CA C 29 66.349 65.324 1.025 1
1 185 . 8 1 1 A 29 29 VAL CB C 29 31.799 31.695 0.104 1
1 188 . 8 1 1 A 29 29 VAL N N 29 119.411 126.280 -6.869 1
1 189 . 8 1 1 A 30 30 GLU H H 30 8.432 8.257 0.175 1
1 190 . 8 1 1 A 30 30 GLU HA H 30 4.011 3.967 0.044 1
1 195 . 8 1 1 A 30 30 GLU CA C 30 59.597 59.496 0.101 1
1 196 . 8 1 1 A 30 30 GLU CB C 30 28.912 29.108 -0.196 1
1 198 . 8 1 1 A 30 30 GLU N N 30 119.890 122.438 -2.548 1
1 199 . 8 1 1 A 31 31 GLU H H 31 7.737 8.051 -0.314 1
1 200 . 8 1 1 A 31 31 GLU HA H 31 3.604 4.167 -0.563 1
1 205 . 8 1 1 A 31 31 GLU CA C 31 58.718 58.944 -0.226 1
1 206 . 8 1 1 A 31 31 GLU CB C 31 30.666 29.108 1.558 1
1 208 . 8 1 1 A 31 31 GLU N N 31 120.821 120.260 0.561 1
1 209 . 8 1 1 A 32 32 ARG H H 32 8.382 8.486 -0.104 1
1 210 . 8 1 1 A 32 32 ARG HA H 32 3.998 4.124 -0.126 1
1 213 . 8 1 1 A 32 32 ARG CA C 32 57.356 59.463 -2.107 1
1 214 . 8 1 1 A 32 32 ARG CB C 32 28.870 30.153 -1.283 1
1 215 . 8 1 1 A 32 32 ARG N N 32 117.523 120.881 -3.358 1
1 216 . 8 1 1 A 33 33 ALA H H 33 7.919 7.991 -0.072 1
1 217 . 8 1 1 A 33 33 ALA HA H 33 4.248 3.968 0.280 1
1 221 . 8 1 1 A 33 33 ALA CA C 33 55.007 54.205 0.802 1
1 222 . 8 1 1 A 33 33 ALA CB C 33 17.601 18.559 -0.958 1
1 223 . 8 1 1 A 33 33 ALA N N 33 119.982 120.590 -0.608 1
1 224 . 8 1 1 A 34 34 LYS H H 34 7.212 7.923 -0.711 1
1 225 . 8 1 1 A 34 34 LYS HA H 34 4.194 3.997 0.197 1
1 234 . 8 1 1 A 34 34 LYS CA C 34 58.852 59.303 -0.451 1
1 235 . 8 1 1 A 34 34 LYS CB C 34 31.598 32.318 -0.720 1
1 239 . 8 1 1 A 34 34 LYS N N 34 119.567 118.088 1.479 1
1 240 . 8 1 1 A 35 35 HIS H H 35 8.814 7.917 0.897 1
1 241 . 8 1 1 A 35 35 HIS HA H 35 4.923 4.375 0.548 1
1 244 . 8 1 1 A 35 35 HIS CA C 35 57.821 58.443 -0.622 1
1 245 . 8 1 1 A 35 35 HIS CB C 35 29.950 28.772 1.178 1
1 246 . 8 1 1 A 35 35 HIS N N 35 122.252 116.827 5.425 1
1 247 . 8 1 1 A 36 36 ASP H H 36 9.292 7.207 2.085 1
1 248 . 8 1 1 A 36 36 ASP HA H 36 4.454 4.306 0.148 1
1 251 . 8 1 1 A 36 36 ASP CA C 36 57.305 57.143 0.162 1
1 252 . 8 1 1 A 36 36 ASP CB C 36 39.889 40.074 -0.185 1
1 253 . 8 1 1 A 36 36 ASP N N 36 118.831 121.461 -2.630 1
1 254 . 8 1 1 A 37 37 GLN H H 37 7.673 7.878 -0.205 1
1 255 . 8 1 1 A 37 37 GLN HA H 37 4.241 4.093 0.148 1
1 262 . 8 1 1 A 37 37 GLN CA C 37 59.019 59.251 -0.232 1
1 263 . 8 1 1 A 37 37 GLN CB C 37 28.315 28.793 -0.478 1
1 265 . 8 1 1 A 37 37 GLN N N 37 120.072 119.840 0.232 1
1 266 . 8 1 1 A 38 38 GLN H H 38 8.329 8.067 0.262 1
1 267 . 8 1 1 A 38 38 GLN HA H 38 4.040 4.167 -0.127 1
1 274 . 8 1 1 A 38 38 GLN CA C 38 58.734 59.048 -0.314 1
1 275 . 8 1 1 A 38 38 GLN CB C 38 28.549 28.292 0.257 1
1 277 . 8 1 1 A 38 38 GLN N N 38 120.847 118.432 2.415 1
1 279 . 8 1 1 A 39 39 PHE H H 39 9.453 8.030 1.423 1
1 280 . 8 1 1 A 39 39 PHE HA H 39 2.811 4.377 -1.566 1
1 286 . 8 1 1 A 39 39 PHE CA C 39 61.602 61.534 0.068 1
1 287 . 8 1 1 A 39 39 PHE CB C 39 38.799 39.097 -0.298 1
1 291 . 8 1 1 A 39 39 PHE N N 39 123.507 122.323 1.184 1
1 292 . 8 1 1 A 40 40 HIS H H 40 8.096 7.905 0.191 1
1 293 . 8 1 1 A 40 40 HIS HA H 40 3.884 3.881 0.003 1
1 297 . 8 1 1 A 40 40 HIS CA C 40 59.910 59.682 0.228 1
1 298 . 8 1 1 A 40 40 HIS CB C 40 29.558 29.379 0.179 1
1 300 . 8 1 1 A 40 40 HIS N N 40 114.319 117.961 -3.642 1
1 301 . 8 1 1 A 41 41 SER H H 41 7.818 8.321 -0.503 1
1 302 . 8 1 1 A 41 41 SER HA H 41 4.300 4.079 0.221 1
1 305 . 8 1 1 A 41 41 SER CA C 41 60.851 60.742 0.109 1
1 306 . 8 1 1 A 41 41 SER CB C 41 62.612 63.050 -0.438 1
1 307 . 8 1 1 A 41 41 SER N N 41 116.677 113.924 2.753 1
1 308 . 8 1 1 A 42 42 LEU H H 42 7.079 7.392 -0.313 1
1 309 . 8 1 1 A 42 42 LEU HA H 42 4.071 4.426 -0.355 1
1 319 . 8 1 1 A 42 42 LEU CA C 42 54.685 54.560 0.125 1
1 320 . 8 1 1 A 42 42 LEU CB C 42 40.874 42.308 -1.434 1
1 324 . 8 1 1 A 42 42 LEU N N 42 121.868 119.719 2.149 1
1 325 . 8 1 1 A 43 43 LYS H H 43 7.345 7.761 -0.416 1
1 326 . 8 1 1 A 43 43 LYS HA H 43 3.877 3.871 0.006 1
1 335 . 8 1 1 A 43 43 LYS CA C 43 56.035 56.564 -0.529 1
1 336 . 8 1 1 A 43 43 LYS CB C 43 28.886 30.619 -1.733 1
1 340 . 8 1 1 A 43 43 LYS N N 43 110.393 116.486 -6.093 1
1 341 . 8 1 1 A 44 44 PRO HA H 44 4.239 4.390 -0.151 1
1 348 . 8 1 1 A 44 44 PRO CA C 44 62.424 62.187 0.237 1
1 349 . 8 1 1 A 44 44 PRO CB C 44 32.413 31.896 0.517 1
1 352 . 8 1 1 A 45 45 ILE H H 45 8.586 7.813 0.773 1
1 353 . 8 1 1 A 45 45 ILE HA H 45 4.337 4.170 0.167 1
1 363 . 8 1 1 A 45 45 ILE CA C 45 60.170 60.130 0.040 1
1 364 . 8 1 1 A 45 45 ILE CB C 45 39.143 37.592 1.551 1
1 368 . 8 1 1 A 45 45 ILE N N 45 120.985 123.012 -2.027 1
1 369 . 8 1 1 A 46 46 SER H H 46 9.512 8.640 0.872 1
1 370 . 8 1 1 A 46 46 SER HA H 46 4.055 3.997 0.058 1
1 373 . 8 1 1 A 46 46 SER CA C 46 58.483 60.790 -2.307 1
1 374 . 8 1 1 A 46 46 SER CB C 46 62.174 61.604 0.570 1
1 375 . 8 1 1 A 46 46 SER N N 46 124.158 120.767 3.391 1
1 376 . 8 1 1 A 47 47 GLY H H 47 8.555 7.848 0.707 1
1 377 . 8 1 1 A 47 47 GLY HA2 H 47 4.020 4.133 -0.113 1
1 378 . 8 1 1 A 47 47 GLY HA3 H 47 3.531 4.182 -0.651 1
1 379 . 8 1 1 A 47 47 GLY CA C 47 44.328 45.780 -1.452 1
1 380 . 8 1 1 A 47 47 GLY N N 47 162.194 106.121 56.073 1
1 381 . 8 1 1 A 48 48 PHE H H 48 7.710 7.044 0.666 1
1 382 . 8 1 1 A 48 48 PHE HA H 48 5.783 5.203 0.580 1
1 387 . 8 1 1 A 48 48 PHE CA C 48 56.732 56.074 0.658 1
1 388 . 8 1 1 A 48 48 PHE CB C 48 43.784 41.520 2.264 1
1 391 . 8 1 1 A 48 48 PHE N N 48 115.641 115.234 0.407 1
1 392 . 8 1 1 A 49 49 ILE H H 49 9.141 8.922 0.219 1
1 393 . 8 1 1 A 49 49 ILE HA H 49 4.908 5.087 -0.179 1
1 403 . 8 1 1 A 49 49 ILE CA C 49 59.368 59.152 0.216 1
1 404 . 8 1 1 A 49 49 ILE CB C 49 39.945 42.468 -2.523 1
1 408 . 8 1 1 A 49 49 ILE N N 49 114.692 116.909 -2.217 1
1 409 . 8 1 1 A 50 50 THR H H 50 8.700 8.512 0.188 1
1 410 . 8 1 1 A 50 50 THR HA H 50 4.473 4.885 -0.412 1
1 415 . 8 1 1 A 50 50 THR CA C 50 60.914 59.896 1.018 1
1 416 . 8 1 1 A 50 50 THR CB C 50 70.829 70.751 0.078 1
1 418 . 8 1 1 A 50 50 THR N N 50 112.658 115.030 -2.372 1
1 419 . 8 1 1 A 51 51 GLY H H 51 8.778 8.988 -0.210 1
1 420 . 8 1 1 A 51 51 GLY HA2 H 51 3.790 3.442 0.348 1
1 421 . 8 1 1 A 51 51 GLY HA3 H 51 3.713 3.578 0.135 1
1 422 . 8 1 1 A 51 51 GLY CA C 51 48.310 47.260 1.050 1
1 423 . 8 1 1 A 51 51 GLY N N 51 108.204 113.737 -5.533 1
1 424 . 8 1 1 A 52 52 ASP H H 52 8.225 8.345 -0.120 1
1 425 . 8 1 1 A 52 52 ASP HA H 52 4.216 4.193 0.023 1
1 428 . 8 1 1 A 52 52 ASP CA C 52 57.344 57.208 0.136 1
1 429 . 8 1 1 A 52 52 ASP CB C 52 40.304 41.695 -1.391 1
1 430 . 8 1 1 A 52 52 ASP N N 52 119.404 121.510 -2.106 1
1 431 . 8 1 1 A 53 53 GLN H H 53 7.810 7.964 -0.154 1
1 432 . 8 1 1 A 53 53 GLN HA H 53 3.969 4.056 -0.087 1
1 439 . 8 1 1 A 53 53 GLN CA C 53 58.673 58.767 -0.094 1
1 440 . 8 1 1 A 53 53 GLN CB C 53 29.794 28.253 1.541 1
1 442 . 8 1 1 A 53 53 GLN N N 53 118.935 117.691 1.244 1
1 444 . 8 1 1 A 54 54 ALA H H 54 8.293 7.934 0.359 1
1 445 . 8 1 1 A 54 54 ALA HA H 54 3.642 3.581 0.061 1
1 449 . 8 1 1 A 54 54 ALA CA C 54 55.243 55.013 0.230 1
1 450 . 8 1 1 A 54 54 ALA CB C 54 19.448 17.895 1.553 1
1 451 . 8 1 1 A 54 54 ALA N N 54 120.858 122.682 -1.824 1
1 452 . 8 1 1 A 55 55 ARG H H 55 8.744 8.081 0.663 1
1 453 . 8 1 1 A 55 55 ARG HA H 55 3.795 4.046 -0.251 1
1 460 . 8 1 1 A 55 55 ARG CA C 55 60.628 58.977 1.651 1
1 461 . 8 1 1 A 55 55 ARG CB C 55 30.224 29.922 0.302 1
1 464 . 8 1 1 A 55 55 ARG N N 55 115.211 117.029 -1.818 1
1 465 . 8 1 1 A 56 56 ASN H H 56 8.056 8.046 0.010 1
1 466 . 8 1 1 A 56 56 ASN HA H 56 4.470 4.498 -0.028 1
1 471 . 8 1 1 A 56 56 ASN CA C 56 56.091 56.321 -0.230 1
1 472 . 8 1 1 A 56 56 ASN CB C 56 38.069 39.060 -0.991 1
1 473 . 8 1 1 A 56 56 ASN N N 56 116.543 118.596 -2.053 1
1 475 . 8 1 1 A 57 57 PHE H H 57 7.567 8.141 -0.574 1
1 476 . 8 1 1 A 57 57 PHE HA H 57 4.517 4.297 0.220 1
1 481 . 8 1 1 A 57 57 PHE CA C 57 61.373 61.418 -0.045 1
1 482 . 8 1 1 A 57 57 PHE CB C 57 39.518 39.062 0.456 1
1 485 . 8 1 1 A 57 57 PHE N N 57 121.111 120.140 0.971 1
1 486 . 8 1 1 A 58 58 PHE H H 58 8.995 8.301 0.694 1
1 487 . 8 1 1 A 58 58 PHE HA H 58 4.501 4.259 0.242 1
1 491 . 8 1 1 A 58 58 PHE CA C 58 57.190 61.639 -4.449 1
1 492 . 8 1 1 A 58 58 PHE CB C 58 37.236 39.036 -1.800 1
1 494 . 8 1 1 A 58 58 PHE N N 58 119.594 118.367 1.227 1
1 495 . 8 1 1 A 59 59 PHE H H 59 8.510 8.593 -0.083 1
1 496 . 8 1 1 A 59 59 PHE HA H 59 4.296 4.213 0.083 1
1 500 . 8 1 1 A 59 59 PHE CA C 59 60.456 61.539 -1.083 1
1 501 . 8 1 1 A 59 59 PHE CB C 59 38.914 39.062 -0.148 1
1 503 . 8 1 1 A 59 59 PHE N N 59 120.834 119.061 1.773 1
1 504 . 8 1 1 A 60 60 GLN H H 60 7.652 8.241 -0.589 1
1 505 . 8 1 1 A 60 60 GLN HA H 60 4.056 4.026 0.030 1
1 512 . 8 1 1 A 60 60 GLN CA C 60 57.133 58.625 -1.492 1
1 513 . 8 1 1 A 60 60 GLN CB C 60 27.771 28.742 -0.971 1
1 515 . 8 1 1 A 60 60 GLN N N 60 116.464 117.980 -1.516 1
1 517 . 8 1 1 A 61 61 SER H H 61 7.823 7.535 0.288 1
1 518 . 8 1 1 A 61 61 SER HA H 61 3.985 4.256 -0.271 1
1 521 . 8 1 1 A 61 61 SER CA C 61 60.571 59.544 1.027 1
1 522 . 8 1 1 A 61 61 SER CB C 61 65.277 64.621 0.656 1
1 523 . 8 1 1 A 61 61 SER N N 61 113.448 112.125 1.323 1
1 524 . 8 1 1 A 62 62 GLY H H 62 7.478 7.728 -0.250 1
1 525 . 8 1 1 A 62 62 GLY HA2 H 62 4.115 3.826 0.289 1
1 526 . 8 1 1 A 62 62 GLY HA3 H 62 3.699 3.951 -0.252 1
1 527 . 8 1 1 A 62 62 GLY CA C 62 45.445 44.706 0.739 1
1 528 . 8 1 1 A 62 62 GLY N N 62 108.189 110.014 -1.825 1
1 529 . 8 1 1 A 63 63 LEU H H 63 7.282 7.263 0.019 1
1 530 . 8 1 1 A 63 63 LEU HA H 63 4.471 4.505 -0.034 1
1 540 . 8 1 1 A 63 63 LEU CA C 63 52.971 52.611 0.360 1
1 541 . 8 1 1 A 63 63 LEU CB C 63 41.597 41.773 -0.176 1
1 545 . 8 1 1 A 63 63 LEU N N 63 120.356 122.284 -1.928 1
1 546 . 8 1 1 A 64 64 PRO HA H 64 4.559 4.881 -0.322 1
1 553 . 8 1 1 A 64 64 PRO CA C 64 63.039 62.047 0.992 1
1 554 . 8 1 1 A 64 64 PRO CB C 64 33.402 33.070 0.332 1
1 557 . 8 1 1 A 65 65 GLN H H 65 9.289 8.794 0.495 1
1 558 . 8 1 1 A 65 65 GLN HA H 65 4.194 4.131 0.063 1
1 563 . 8 1 1 A 65 65 GLN CA C 65 61.180 60.269 0.911 1
1 564 . 8 1 1 A 65 65 GLN CB C 65 25.845 27.920 -2.075 1
1 566 . 8 1 1 A 65 65 GLN N N 65 122.729 121.682 1.047 1
1 567 . 8 1 1 A 66 66 PRO HA H 66 4.399 4.473 -0.074 1
1 574 . 8 1 1 A 66 66 PRO CA C 66 65.956 65.246 0.710 1
1 575 . 8 1 1 A 66 66 PRO CB C 66 30.665 31.392 -0.727 1
1 578 . 8 1 1 A 67 67 VAL H H 67 6.875 7.767 -0.892 1
1 579 . 8 1 1 A 67 67 VAL HA H 67 3.930 4.018 -0.088 1
1 587 . 8 1 1 A 67 67 VAL CA C 67 64.811 64.654 0.157 1
1 588 . 8 1 1 A 67 67 VAL CB C 67 31.581 31.941 -0.360 1
1 591 . 8 1 1 A 67 67 VAL N N 67 117.350 116.262 1.088 1
1 592 . 8 1 1 A 68 68 LEU H H 68 7.965 8.122 -0.157 1
1 593 . 8 1 1 A 68 68 LEU HA H 68 3.955 3.971 -0.016 1
1 603 . 8 1 1 A 68 68 LEU CA C 68 57.878 58.087 -0.209 1
1 604 . 8 1 1 A 68 68 LEU CB C 68 40.821 42.197 -1.376 1
1 608 . 8 1 1 A 68 68 LEU N N 68 119.980 120.175 -0.195 1
1 609 . 8 1 1 A 69 69 ALA H H 69 8.577 8.554 0.023 1
1 610 . 8 1 1 A 69 69 ALA HA H 69 4.375 4.350 0.025 1
1 614 . 8 1 1 A 69 69 ALA CA C 69 55.128 55.036 0.092 1
1 615 . 8 1 1 A 69 69 ALA CB C 69 17.533 18.369 -0.836 1
1 616 . 8 1 1 A 69 69 ALA N N 69 122.731 120.688 2.043 1
1 617 . 8 1 1 A 70 70 GLN H H 70 7.534 8.031 -0.497 1
1 618 . 8 1 1 A 70 70 GLN HA H 70 4.190 4.055 0.135 1
1 625 . 8 1 1 A 70 70 GLN CA C 70 58.623 59.046 -0.423 1
1 626 . 8 1 1 A 70 70 GLN CB C 70 28.349 28.176 0.173 1
1 628 . 8 1 1 A 70 70 GLN N N 70 120.846 117.697 3.149 1
1 630 . 8 1 1 A 71 71 ILE H H 71 8.170 7.969 0.201 1
1 631 . 8 1 1 A 71 71 ILE HA H 71 3.455 3.736 -0.281 1
1 641 . 8 1 1 A 71 71 ILE CA C 71 66.530 65.082 1.448 1
1 642 . 8 1 1 A 71 71 ILE CB C 71 37.768 37.555 0.213 1
1 646 . 8 1 1 A 71 71 ILE N N 71 120.351 119.707 0.644 1
1 647 . 8 1 1 A 72 72 TRP H H 72 8.473 8.144 0.329 1
1 648 . 8 1 1 A 72 72 TRP HA H 72 3.845 4.374 -0.529 1
1 657 . 8 1 1 A 72 72 TRP CA C 72 61.144 61.327 -0.183 1
1 658 . 8 1 1 A 72 72 TRP CB C 72 28.496 29.359 -0.863 1
1 664 . 8 1 1 A 72 72 TRP N N 72 119.417 121.880 -2.463 1
1 666 . 8 1 1 A 73 73 ALA H H 73 7.647 8.803 -1.156 1
1 667 . 8 1 1 A 73 73 ALA HA H 73 4.012 3.815 0.197 1
1 671 . 8 1 1 A 73 73 ALA CA C 73 54.154 54.941 -0.787 1
1 672 . 8 1 1 A 73 73 ALA CB C 73 18.059 17.997 0.062 1
1 673 . 8 1 1 A 73 73 ALA N N 73 116.148 121.367 -5.219 1
1 674 . 8 1 1 A 74 74 LEU H H 74 7.493 7.828 -0.335 1
1 675 . 8 1 1 A 74 74 LEU HA H 74 3.947 4.019 -0.072 1
1 685 . 8 1 1 A 74 74 LEU CA C 74 56.478 57.819 -1.341 1
1 686 . 8 1 1 A 74 74 LEU CB C 74 43.726 41.987 1.739 1
1 690 . 8 1 1 A 74 74 LEU N N 74 115.647 120.989 -5.342 1
1 691 . 8 1 1 A 75 75 ALA H H 75 7.952 7.683 0.269 1
1 692 . 8 1 1 A 75 75 ALA HA H 75 4.019 4.261 -0.242 1
1 696 . 8 1 1 A 75 75 ALA CA C 75 53.982 54.169 -0.187 1
1 697 . 8 1 1 A 75 75 ALA CB C 75 19.913 18.944 0.969 1
1 698 . 8 1 1 A 75 75 ALA N N 75 118.000 120.198 -2.198 1
1 699 . 8 1 1 A 76 76 ASP H H 76 7.798 7.999 -0.201 1
1 700 . 8 1 1 A 76 76 ASP HA H 76 4.587 4.650 -0.063 1
1 703 . 8 1 1 A 76 76 ASP CA C 76 51.849 53.454 -1.605 1
1 704 . 8 1 1 A 76 76 ASP CB C 76 36.265 40.153 -3.888 1
1 705 . 8 1 1 A 76 76 ASP N N 76 114.297 117.932 -3.635 1
1 706 . 8 1 1 A 77 77 MET H H 77 8.077 7.936 0.141 1
1 707 . 8 1 1 A 77 77 MET HA H 77 3.867 3.989 -0.122 1
1 715 . 8 1 1 A 77 77 MET CA C 77 59.024 58.327 0.697 1
1 716 . 8 1 1 A 77 77 MET CB C 77 34.550 32.386 2.164 1
1 719 . 8 1 1 A 77 77 MET N N 77 123.959 123.987 -0.028 1
1 720 . 8 1 1 A 78 78 ASN H H 78 7.801 7.959 -0.158 1
1 721 . 8 1 1 A 78 78 ASN HA H 78 4.839 4.649 0.190 1
1 726 . 8 1 1 A 78 78 ASN CA C 78 50.889 52.251 -1.362 1
1 727 . 8 1 1 A 78 78 ASN CB C 78 37.028 37.862 -0.834 1
1 728 . 8 1 1 A 78 78 ASN N N 78 112.247 113.316 -1.069 1
1 730 . 8 1 1 A 79 79 ASN H H 79 8.019 8.084 -0.065 1
1 731 . 8 1 1 A 79 79 ASN HA H 79 4.380 4.324 0.056 1
1 736 . 8 1 1 A 79 79 ASN CA C 79 54.319 53.853 0.466 1
1 737 . 8 1 1 A 79 79 ASN CB C 79 37.867 36.680 1.187 1
1 738 . 8 1 1 A 79 79 ASN N N 79 116.050 117.407 -1.357 1
1 740 . 8 1 1 A 80 80 ASP H H 80 8.019 8.147 -0.128 1
1 741 . 8 1 1 A 80 80 ASP HA H 80 4.784 4.626 0.158 1
1 744 . 8 1 1 A 80 80 ASP CA C 80 52.672 54.558 -1.886 1
1 745 . 8 1 1 A 80 80 ASP CB C 80 41.585 41.646 -0.061 1
1 746 . 8 1 1 A 80 80 ASP N N 80 115.620 123.003 -7.383 1
1 747 . 8 1 1 A 81 81 GLY H H 81 10.345 7.893 2.452 1
1 748 . 8 1 1 A 81 81 GLY HA2 H 81 4.339 4.185 0.154 1
1 749 . 8 1 1 A 81 81 GLY HA3 H 81 4.044 4.506 -0.462 1
1 750 . 8 1 1 A 81 81 GLY CA C 81 46.560 45.701 0.859 1
1 751 . 8 1 1 A 81 81 GLY N N 81 112.191 107.209 4.982 1
1 752 . 8 1 1 A 82 82 ARG H H 82 8.365 8.171 0.194 1
1 753 . 8 1 1 A 82 82 ARG HA H 82 5.105 4.459 0.646 1
1 760 . 8 1 1 A 82 82 ARG CA C 82 53.982 55.631 -1.649 1
1 761 . 8 1 1 A 82 82 ARG CB C 82 33.303 32.243 1.060 1
1 764 . 8 1 1 A 82 82 ARG N N 82 117.518 118.684 -1.166 1
1 765 . 8 1 1 A 83 83 MET H H 83 9.038 8.200 0.838 1
1 766 . 8 1 1 A 83 83 MET HA H 83 6.142 4.303 1.839 1
1 774 . 8 1 1 A 83 83 MET CA C 83 55.586 56.338 -0.752 1
1 775 . 8 1 1 A 83 83 MET CB C 83 38.610 31.555 7.055 1
1 778 . 8 1 1 A 83 83 MET N N 83 120.510 119.018 1.492 1
1 779 . 8 1 1 A 84 84 ASP H H 84 7.586 8.337 -0.751 1
1 780 . 8 1 1 A 84 84 ASP HA H 84 5.259 4.686 0.573 1
1 783 . 8 1 1 A 84 84 ASP CA C 84 51.182 53.954 -2.772 1
1 784 . 8 1 1 A 84 84 ASP CB C 84 42.047 42.429 -0.382 1
1 785 . 8 1 1 A 84 84 ASP N N 84 122.321 125.869 -3.548 1
1 786 . 8 1 1 A 85 85 GLN H H 85 7.988 8.706 -0.718 1
1 787 . 8 1 1 A 85 85 GLN HA H 85 2.609 3.777 -1.168 1
1 794 . 8 1 1 A 85 85 GLN CA C 85 58.909 58.610 0.299 1
1 795 . 8 1 1 A 85 85 GLN CB C 85 29.346 27.860 1.486 1
1 797 . 8 1 1 A 85 85 GLN N N 85 115.617 123.700 -8.083 1
1 799 . 8 1 1 A 86 86 VAL H H 86 7.357 7.566 -0.209 1
1 800 . 8 1 1 A 86 86 VAL HA H 86 3.557 3.392 0.165 1
1 808 . 8 1 1 A 86 86 VAL CA C 86 66.117 66.237 -0.120 1
1 809 . 8 1 1 A 86 86 VAL CB C 86 31.538 31.627 -0.089 1
1 812 . 8 1 1 A 86 86 VAL N N 86 120.551 120.932 -0.381 1
1 813 . 8 1 1 A 87 87 GLU H H 87 8.375 8.143 0.232 1
1 814 . 8 1 1 A 87 87 GLU HA H 87 3.908 4.009 -0.101 1
1 819 . 8 1 1 A 87 87 GLU CA C 87 59.424 59.616 -0.192 1
1 820 . 8 1 1 A 87 87 GLU CB C 87 31.466 29.402 2.064 1
1 822 . 8 1 1 A 87 87 GLU N N 87 119.417 118.782 0.635 1
1 823 . 8 1 1 A 88 88 PHE H H 88 8.482 9.065 -0.583 1
1 824 . 8 1 1 A 88 88 PHE HA H 88 4.427 4.227 0.200 1
1 828 . 8 1 1 A 88 88 PHE CA C 88 62.061 61.559 0.502 1
1 829 . 8 1 1 A 88 88 PHE CB C 88 40.726 39.104 1.622 1
1 831 . 8 1 1 A 88 88 PHE N N 88 117.094 122.436 -5.342 1
1 832 . 8 1 1 A 89 89 SER H H 89 7.490 7.924 -0.434 1
1 833 . 8 1 1 A 89 89 SER HA H 89 4.763 4.152 0.611 1
1 836 . 8 1 1 A 89 89 SER CA C 89 59.783 61.940 -2.157 1
1 837 . 8 1 1 A 89 89 SER CB C 89 59.544 62.597 -3.053 1
1 838 . 8 1 1 A 89 89 SER N N 89 113.424 115.253 -1.829 1
1 839 . 8 1 1 A 90 90 ILE H H 90 8.034 7.602 0.432 1
1 840 . 8 1 1 A 90 90 ILE HA H 90 3.506 3.855 -0.349 1
1 850 . 8 1 1 A 90 90 ILE CA C 90 66.098 63.509 2.589 1
1 851 . 8 1 1 A 90 90 ILE CB C 90 37.905 37.544 0.361 1
1 855 . 8 1 1 A 90 90 ILE N N 90 118.472 120.670 -2.198 1
1 856 . 8 1 1 A 91 91 ALA H H 91 8.197 7.929 0.268 1
1 857 . 8 1 1 A 91 91 ALA HA H 91 4.286 4.116 0.170 1
1 861 . 8 1 1 A 91 91 ALA CA C 91 52.435 53.787 -1.352 1
1 862 . 8 1 1 A 91 91 ALA CB C 91 19.091 18.763 0.328 1
1 863 . 8 1 1 A 91 91 ALA N N 91 119.275 123.969 -4.694 1
1 864 . 8 1 1 A 92 92 MET H H 92 8.183 7.913 0.270 1
1 865 . 8 1 1 A 92 92 MET HA H 92 4.268 4.050 0.218 1
1 870 . 8 1 1 A 92 92 MET CA C 92 55.643 58.352 -2.709 1
1 871 . 8 1 1 A 92 92 MET CB C 92 29.521 32.412 -2.891 1
1 873 . 8 1 1 A 92 92 MET N N 92 118.681 117.142 1.539 1
1 874 . 8 1 1 A 93 93 LYS H H 93 8.172 7.955 0.217 1
1 875 . 8 1 1 A 93 93 LYS HA H 93 4.006 4.037 -0.031 1
1 878 . 8 1 1 A 93 93 LYS CA C 93 56.840 59.096 -2.256 1
1 879 . 8 1 1 A 93 93 LYS CB C 93 32.830 31.944 0.886 1
1 880 . 8 1 1 A 93 93 LYS N N 93 120.362 118.120 2.242 1
1 881 . 8 1 1 A 94 94 LEU H H 94 8.017 8.013 0.004 1
1 882 . 8 1 1 A 94 94 LEU HA H 94 3.884 4.009 -0.125 1
1 892 . 8 1 1 A 94 94 LEU CA C 94 58.234 57.928 0.306 1
1 893 . 8 1 1 A 94 94 LEU CB C 94 42.050 41.596 0.454 1
1 897 . 8 1 1 A 94 94 LEU N N 94 114.192 120.505 -6.313 1
1 898 . 8 1 1 A 95 95 ILE H H 95 8.377 7.805 0.572 1
1 899 . 8 1 1 A 95 95 ILE HA H 95 3.254 3.471 -0.217 1
1 909 . 8 1 1 A 95 95 ILE CA C 95 66.013 65.844 0.169 1
1 910 . 8 1 1 A 95 95 ILE CB C 95 38.284 38.151 0.133 1
1 914 . 8 1 1 A 95 95 ILE N N 95 118.949 119.895 -0.946 1
1 915 . 8 1 1 A 96 96 LYS H H 96 7.751 7.957 -0.206 1
1 916 . 8 1 1 A 96 96 LYS HA H 96 3.928 4.050 -0.122 1
1 925 . 8 1 1 A 96 96 LYS CA C 96 59.701 59.281 0.420 1
1 926 . 8 1 1 A 96 96 LYS CB C 96 32.286 31.676 0.610 1
1 930 . 8 1 1 A 96 96 LYS N N 96 119.637 119.534 0.103 1
1 931 . 8 1 1 A 97 97 LEU H H 97 8.382 7.962 0.420 1
1 932 . 8 1 1 A 97 97 LEU HA H 97 4.006 4.085 -0.079 1
1 942 . 8 1 1 A 97 97 LEU CA C 97 57.363 57.305 0.058 1
1 943 . 8 1 1 A 97 97 LEU CB C 97 40.459 41.549 -1.090 1
1 947 . 8 1 1 A 97 97 LEU N N 97 117.727 121.871 -4.144 1
1 948 . 8 1 1 A 98 98 LYS H H 98 8.761 8.264 0.497 1
1 949 . 8 1 1 A 98 98 LYS HA H 98 4.548 4.845 -0.297 1
1 958 . 8 1 1 A 98 98 LYS CA C 98 57.477 59.493 -2.016 1
1 959 . 8 1 1 A 98 98 LYS CB C 98 31.294 32.004 -0.710 1
1 963 . 8 1 1 A 98 98 LYS N N 98 122.255 119.546 2.709 1
1 964 . 8 1 1 A 99 99 LEU H H 99 8.798 8.050 0.748 1
1 965 . 8 1 1 A 99 99 LEU HA H 99 4.100 3.971 0.129 1
1 975 . 8 1 1 A 99 99 LEU CA C 99 57.878 57.555 0.323 1
1 976 . 8 1 1 A 99 99 LEU CB C 99 41.605 40.865 0.740 1
1 980 . 8 1 1 A 99 99 LEU N N 99 122.214 120.722 1.492 1
1 981 . 8 1 1 A 100 100 GLN H H 100 7.749 7.530 0.219 1
1 982 . 8 1 1 A 100 100 GLN HA H 100 4.285 4.355 -0.070 1
1 989 . 8 1 1 A 100 100 GLN CA C 100 56.503 55.808 0.695 1
1 990 . 8 1 1 A 100 100 GLN CB C 100 29.576 29.265 0.311 1
1 992 . 8 1 1 A 100 100 GLN N N 100 116.914 116.008 0.906 1
1 993 . 8 1 1 A 101 101 GLY H H 101 7.910 7.462 0.448 1
1 994 . 8 1 1 A 101 101 GLY HA2 H 101 4.262 3.899 0.363 1
1 995 . 8 1 1 A 101 101 GLY HA3 H 101 3.661 3.996 -0.335 1
1 996 . 8 1 1 A 101 101 GLY CA C 101 44.884 45.061 -0.177 1
1 997 . 8 1 1 A 101 101 GLY N N 101 106.044 105.742 0.302 1
1 998 . 8 1 1 A 102 102 TYR H H 102 8.078 7.851 0.227 1
1 999 . 8 1 1 A 102 102 TYR HA H 102 4.311 4.658 -0.347 1
1 1006 . 8 1 1 A 102 102 TYR CA C 102 59.253 58.332 0.921 1
1 1007 . 8 1 1 A 102 102 TYR CB C 102 37.849 39.809 -1.960 1
1 1010 . 8 1 1 A 102 102 TYR N N 102 120.876 120.079 0.797 1
1 1011 . 8 1 1 A 103 103 GLN H H 103 8.610 9.125 -0.515 1
1 1012 . 8 1 1 A 103 103 GLN HA H 103 4.280 5.036 -0.756 1
1 1015 . 8 1 1 A 103 103 GLN CA C 103 56.620 55.849 0.771 1
1 1016 . 8 1 1 A 103 103 GLN CB C 103 29.100 32.982 -3.882 1
1 1017 . 8 1 1 A 103 103 GLN N N 103 119.785 121.893 -2.108 1
1 1018 . 8 1 1 A 105 105 PRO HA H 105 4.631 4.627 0.004 1
1 1025 . 8 1 1 A 105 105 PRO CA C 105 61.602 62.323 -0.721 1
1 1026 . 8 1 1 A 105 105 PRO CB C 105 31.690 33.352 -1.662 1
1 1029 . 8 1 1 A 106 106 SER H H 106 8.485 8.779 -0.294 1
1 1030 . 8 1 1 A 106 106 SER HA H 106 4.183 4.355 -0.172 1
1 1033 . 8 1 1 A 106 106 SER CA C 106 59.525 59.736 -0.211 1
1 1034 . 8 1 1 A 106 106 SER CB C 106 63.078 63.380 -0.302 1
1 1035 . 8 1 1 A 106 106 SER N N 106 112.361 115.515 -3.154 1
1 1036 . 8 1 1 A 107 107 ALA H H 107 7.410 7.362 0.048 1
1 1037 . 8 1 1 A 107 107 ALA HA H 107 4.308 4.413 -0.105 1
1 1041 . 8 1 1 A 107 107 ALA CA C 107 50.086 50.809 -0.723 1
1 1042 . 8 1 1 A 107 107 ALA CB C 107 21.253 19.552 1.701 1
1 1043 . 8 1 1 A 107 107 ALA N N 107 121.311 123.273 -1.962 1
1 1044 . 8 1 1 A 108 108 LEU H H 108 8.915 8.377 0.538 1
1 1045 . 8 1 1 A 108 108 LEU HA H 108 4.020 4.741 -0.721 1
1 1055 . 8 1 1 A 108 108 LEU CA C 108 52.990 52.765 0.225 1
1 1056 . 8 1 1 A 108 108 LEU CB C 108 42.041 42.218 -0.177 1
1 1060 . 8 1 1 A 108 108 LEU N N 108 122.607 121.960 0.647 1
1 1061 . 8 1 1 A 110 110 PRO HA H 110 4.024 4.203 -0.179 1
1 1068 . 8 1 1 A 110 110 PRO CA C 110 65.440 65.207 0.233 1
1 1069 . 8 1 1 A 110 110 PRO CB C 110 31.638 31.895 -0.257 1
1 1072 . 8 1 1 A 111 111 VAL H H 111 8.118 7.348 0.770 1
1 1073 . 8 1 1 A 111 111 VAL HA H 111 3.986 3.853 0.133 1
1 1081 . 8 1 1 A 111 111 VAL CA C 111 63.779 65.191 -1.412 1
1 1082 . 8 1 1 A 111 111 VAL CB C 111 31.065 31.434 -0.369 1
1 1085 . 8 1 1 A 111 111 VAL N N 111 115.605 116.440 -0.835 1
1 1086 . 8 1 1 A 112 112 MET H H 112 7.908 7.970 -0.062 1
1 1087 . 8 1 1 A 112 112 MET HA H 112 4.160 4.193 -0.033 1
1 1095 . 8 1 1 A 112 112 MET CA C 112 59.098 58.869 0.229 1
1 1096 . 8 1 1 A 112 112 MET CB C 112 34.024 33.376 0.648 1
1 1099 . 8 1 1 A 112 112 MET N N 112 118.943 118.600 0.343 1
1 1100 . 8 1 1 A 113 113 LYS H H 113 7.330 7.870 -0.540 1
1 1101 . 8 1 1 A 113 113 LYS HA H 113 4.182 4.183 -0.001 1
1 1110 . 8 1 1 A 113 113 LYS CA C 113 55.987 58.868 -2.881 1
1 1111 . 8 1 1 A 113 113 LYS CB C 113 32.841 32.837 0.004 1
1 1115 . 8 1 1 A 113 113 LYS N N 113 112.617 117.654 -5.037 1
1 1116 . 8 1 1 A 114 114 GLN H H 114 7.114 7.822 -0.708 1
1 1117 . 8 1 1 A 114 114 GLN HA H 114 4.309 4.230 0.079 1
1 1124 . 8 1 1 A 114 114 GLN CA C 114 54.956 57.976 -3.020 1
1 1125 . 8 1 1 A 114 114 GLN CB C 114 29.241 27.406 1.835 1
1 1127 . 8 1 1 A 114 114 GLN N N 114 117.852 115.913 1.939 1
1 1129 . 8 1 1 A 115 115 GLN H H 115 8.556 8.509 0.047 1
1 1130 . 8 1 1 A 115 115 GLN HA H 115 4.501 4.709 -0.208 1
1 1137 . 8 1 1 A 115 115 GLN CA C 115 53.858 53.520 0.338 1
1 1138 . 8 1 1 A 115 115 GLN CB C 115 28.234 28.904 -0.670 1
1 1140 . 8 1 1 A 115 115 GLN N N 115 123.195 121.722 1.473 1
1 1142 . 8 1 1 A 116 116 PRO HA H 116 4.530 4.809 -0.279 1
1 1149 . 8 1 1 A 116 116 PRO CA C 116 63.050 62.232 0.818 1
1 1150 . 8 1 1 A 116 116 PRO CB C 116 31.953 29.399 2.554 1
1 1153 . 8 1 1 A 117 117 VAL H H 117 8.345 8.066 0.279 1
1 1154 . 8 1 1 A 117 117 VAL HA H 117 4.167 4.232 -0.065 1
1 1162 . 8 1 1 A 117 117 VAL CA C 117 61.258 61.994 -0.736 1
1 1163 . 8 1 1 A 117 117 VAL CB C 117 33.724 32.623 1.101 1
1 1166 . 8 1 1 A 117 117 VAL N N 117 120.361 122.761 -2.400 1
1 1167 . 8 1 1 A 118 118 ALA H H 118 8.470 8.719 -0.249 1
1 1168 . 8 1 1 A 118 118 ALA HA H 118 4.452 4.607 -0.155 1
1 1172 . 8 1 1 A 118 118 ALA CA C 118 51.678 53.255 -1.577 1
1 1173 . 8 1 1 A 118 118 ALA CB C 118 19.260 21.625 -2.365 1
1 1174 . 8 1 1 A 118 118 ALA N N 118 128.412 127.668 0.744 1
1 1175 . 8 1 1 A 119 119 ILE H H 119 8.250 7.800 0.450 1
1 1176 . 8 1 1 A 119 119 ILE HA H 119 4.240 4.603 -0.363 1
1 1186 . 8 1 1 A 119 119 ILE CA C 119 60.743 60.049 0.694 1
1 1187 . 8 1 1 A 119 119 ILE CB C 119 38.914 41.678 -2.764 1
1 1191 . 8 1 1 A 119 119 ILE N N 119 120.929 116.858 4.071 1
1 1192 . 8 1 1 A 120 120 SER H H 120 8.413 8.870 -0.457 1
1 1193 . 8 1 1 A 120 120 SER HA H 120 4.543 4.482 0.061 1
1 1196 . 8 1 1 A 120 120 SER CA C 120 57.878 60.428 -2.550 1
1 1197 . 8 1 1 A 120 120 SER CB C 120 63.951 64.090 -0.139 1
1 1198 . 8 1 1 A 120 120 SER N N 120 120.494 122.880 -2.386 1
1 1 . 9 1 1 A 12 12 ALA H H 12 8.223 8.072 0.151 1
1 2 . 9 1 1 A 12 12 ALA HA H 12 4.220 4.699 -0.479 1
1 6 . 9 1 1 A 12 12 ALA CA C 12 52.323 50.837 1.486 1
1 7 . 9 1 1 A 12 12 ALA CB C 12 19.015 19.431 -0.416 1
1 8 . 9 1 1 A 12 12 ALA N N 12 124.624 124.503 0.121 1
1 9 . 9 1 1 A 13 13 GLN H H 13 8.220 8.181 0.039 1
1 10 . 9 1 1 A 13 13 GLN HA H 13 4.292 5.006 -0.714 1
1 13 . 9 1 1 A 13 13 GLN CA C 13 55.457 54.760 0.697 1
1 14 . 9 1 1 A 13 13 GLN CB C 13 29.804 30.508 -0.704 1
1 15 . 9 1 1 A 13 13 GLN N N 13 119.119 119.206 -0.087 1
1 16 . 9 1 1 A 14 14 PHE H H 14 8.109 8.875 -0.766 1
1 17 . 9 1 1 A 14 14 PHE HA H 14 4.559 5.173 -0.614 1
1 20 . 9 1 1 A 14 14 PHE CA C 14 58.250 55.685 2.565 1
1 21 . 9 1 1 A 14 14 PHE CB C 14 39.950 40.907 -0.957 1
1 22 . 9 1 1 A 14 14 PHE N N 14 121.712 125.445 -3.733 1
1 23 . 9 1 1 A 15 15 PRO HA H 15 4.492 4.273 0.219 1
1 30 . 9 1 1 A 15 15 PRO CA C 15 63.047 63.218 -0.171 1
1 31 . 9 1 1 A 15 15 PRO CB C 15 31.810 31.843 -0.033 1
1 34 . 9 1 1 A 16 16 THR H H 16 8.197 8.550 -0.353 1
1 35 . 9 1 1 A 16 16 THR HA H 16 4.614 4.768 -0.154 1
1 40 . 9 1 1 A 16 16 THR CA C 16 59.526 58.935 0.591 1
1 41 . 9 1 1 A 16 16 THR CB C 16 69.603 70.123 -0.520 1
1 43 . 9 1 1 A 16 16 THR N N 16 115.700 119.042 -3.342 1
1 44 . 9 1 1 A 17 17 PRO HA H 17 4.360 4.458 -0.098 1
1 51 . 9 1 1 A 17 17 PRO CA C 17 63.321 62.099 1.222 1
1 52 . 9 1 1 A 17 17 PRO CB C 17 31.680 32.783 -1.103 1
1 55 . 9 1 1 A 18 18 PHE H H 18 8.212 8.230 -0.018 1
1 56 . 9 1 1 A 18 18 PHE HA H 18 4.589 4.062 0.527 1
1 64 . 9 1 1 A 18 18 PHE CA C 18 57.648 58.425 -0.777 1
1 65 . 9 1 1 A 18 18 PHE CB C 18 39.165 37.034 2.131 1
1 69 . 9 1 1 A 18 18 PHE N N 18 119.185 115.587 3.598 1
1 70 . 9 1 1 A 19 19 GLY H H 19 8.250 8.271 -0.021 1
1 71 . 9 1 1 A 19 19 GLY HA2 H 19 3.943 3.813 0.130 1
1 72 . 9 1 1 A 19 19 GLY HA3 H 19 3.935 3.839 0.096 1
1 73 . 9 1 1 A 19 19 GLY CA C 19 45.100 46.748 -1.648 1
1 74 . 9 1 1 A 19 19 GLY N N 19 110.566 111.087 -0.521 1
1 75 . 9 1 1 A 20 20 GLY H H 20 7.873 7.524 0.349 1
1 76 . 9 1 1 A 20 20 GLY HA2 H 20 3.964 4.097 -0.133 1
1 77 . 9 1 1 A 20 20 GLY HA3 H 20 3.955 4.111 -0.156 1
1 78 . 9 1 1 A 20 20 GLY CA C 20 45.056 45.858 -0.802 1
1 79 . 9 1 1 A 20 20 GLY N N 20 108.171 105.491 2.680 1
1 80 . 9 1 1 A 21 21 SER H H 21 8.274 8.450 -0.176 1
1 81 . 9 1 1 A 21 21 SER HA H 21 4.523 4.733 -0.210 1
1 84 . 9 1 1 A 21 21 SER CA C 21 57.951 58.055 -0.104 1
1 85 . 9 1 1 A 21 21 SER CB C 21 63.946 63.888 0.058 1
1 86 . 9 1 1 A 21 21 SER N N 21 115.180 116.334 -1.154 1
1 87 . 9 1 1 A 22 22 LEU H H 22 8.435 7.539 0.896 1
1 88 . 9 1 1 A 22 22 LEU HA H 22 4.302 4.576 -0.274 1
1 98 . 9 1 1 A 22 22 LEU CA C 22 55.846 54.166 1.680 1
1 99 . 9 1 1 A 22 22 LEU CB C 22 42.229 45.291 -3.062 1
1 103 . 9 1 1 A 22 22 LEU N N 22 123.998 121.974 2.024 1
1 104 . 9 1 1 A 23 23 ASP H H 23 8.291 9.324 -1.033 1
1 105 . 9 1 1 A 23 23 ASP HA H 23 4.494 4.539 -0.045 1
1 108 . 9 1 1 A 23 23 ASP CA C 23 54.981 55.184 -0.203 1
1 109 . 9 1 1 A 23 23 ASP CB C 23 41.190 40.926 0.264 1
1 110 . 9 1 1 A 23 23 ASP N N 23 120.385 125.754 -5.369 1
1 111 . 9 1 1 A 24 24 THR H H 24 8.010 7.781 0.229 1
1 112 . 9 1 1 A 24 24 THR HA H 24 3.770 3.962 -0.192 1
1 117 . 9 1 1 A 24 24 THR CA C 24 64.590 65.568 -0.978 1
1 118 . 9 1 1 A 24 24 THR CB C 24 69.620 68.580 1.040 1
1 120 . 9 1 1 A 24 24 THR N N 24 117.799 112.124 5.675 1
1 121 . 9 1 1 A 25 25 TRP H H 25 7.780 7.538 0.242 1
1 122 . 9 1 1 A 25 25 TRP HA H 25 4.012 4.451 -0.439 1
1 131 . 9 1 1 A 25 25 TRP CA C 25 57.837 59.311 -1.474 1
1 132 . 9 1 1 A 25 25 TRP CB C 25 28.842 29.754 -0.912 1
1 138 . 9 1 1 A 25 25 TRP N N 25 118.659 119.622 -0.963 1
1 140 . 9 1 1 A 26 26 ALA H H 26 7.101 7.272 -0.171 1
1 141 . 9 1 1 A 26 26 ALA HA H 26 3.949 4.429 -0.480 1
1 145 . 9 1 1 A 26 26 ALA CA C 26 52.102 52.644 -0.542 1
1 146 . 9 1 1 A 26 26 ALA CB C 26 18.840 19.490 -0.650 1
1 147 . 9 1 1 A 26 26 ALA N N 26 117.054 121.875 -4.821 1
1 148 . 9 1 1 A 27 27 ILE H H 27 8.687 8.727 -0.040 1
1 149 . 9 1 1 A 27 27 ILE HA H 27 4.332 4.575 -0.243 1
1 159 . 9 1 1 A 27 27 ILE CA C 27 61.430 60.564 0.866 1
1 160 . 9 1 1 A 27 27 ILE CB C 27 38.550 37.799 0.751 1
1 164 . 9 1 1 A 27 27 ILE N N 27 125.107 122.180 2.927 1
1 165 . 9 1 1 A 28 28 THR H H 28 8.981 8.500 0.481 1
1 166 . 9 1 1 A 28 28 THR HA H 28 4.760 4.774 -0.014 1
1 171 . 9 1 1 A 28 28 THR CA C 28 60.685 61.326 -0.641 1
1 172 . 9 1 1 A 28 28 THR CB C 28 71.252 69.948 1.304 1
1 174 . 9 1 1 A 28 28 THR N N 28 118.938 122.655 -3.717 1
1 175 . 9 1 1 A 29 29 VAL H H 29 8.612 8.907 -0.295 1
1 176 . 9 1 1 A 29 29 VAL HA H 29 3.532 3.677 -0.145 1
1 184 . 9 1 1 A 29 29 VAL CA C 29 66.349 66.780 -0.431 1
1 185 . 9 1 1 A 29 29 VAL CB C 29 31.799 31.430 0.369 1
1 188 . 9 1 1 A 29 29 VAL N N 29 119.411 123.007 -3.596 1
1 189 . 9 1 1 A 30 30 GLU H H 30 8.432 8.511 -0.079 1
1 190 . 9 1 1 A 30 30 GLU HA H 30 4.011 4.011 0.000 1
1 195 . 9 1 1 A 30 30 GLU CA C 30 59.597 59.978 -0.381 1
1 196 . 9 1 1 A 30 30 GLU CB C 30 28.912 29.547 -0.635 1
1 198 . 9 1 1 A 30 30 GLU N N 30 119.890 118.966 0.924 1
1 199 . 9 1 1 A 31 31 GLU H H 31 7.737 8.239 -0.502 1
1 200 . 9 1 1 A 31 31 GLU HA H 31 3.604 4.183 -0.579 1
1 205 . 9 1 1 A 31 31 GLU CA C 31 58.718 58.969 -0.251 1
1 206 . 9 1 1 A 31 31 GLU CB C 31 30.666 29.362 1.304 1
1 208 . 9 1 1 A 31 31 GLU N N 31 120.821 119.910 0.911 1
1 209 . 9 1 1 A 32 32 ARG H H 32 8.382 8.545 -0.163 1
1 210 . 9 1 1 A 32 32 ARG HA H 32 3.998 4.282 -0.284 1
1 213 . 9 1 1 A 32 32 ARG CA C 32 57.356 58.935 -1.579 1
1 214 . 9 1 1 A 32 32 ARG CB C 32 28.870 29.965 -1.095 1
1 215 . 9 1 1 A 32 32 ARG N N 32 117.523 119.083 -1.560 1
1 216 . 9 1 1 A 33 33 ALA H H 33 7.919 8.522 -0.603 1
1 217 . 9 1 1 A 33 33 ALA HA H 33 4.248 3.989 0.259 1
1 221 . 9 1 1 A 33 33 ALA CA C 33 55.007 55.136 -0.129 1
1 222 . 9 1 1 A 33 33 ALA CB C 33 17.601 18.260 -0.659 1
1 223 . 9 1 1 A 33 33 ALA N N 33 119.982 121.904 -1.922 1
1 224 . 9 1 1 A 34 34 LYS H H 34 7.212 8.630 -1.418 1
1 225 . 9 1 1 A 34 34 LYS HA H 34 4.194 4.258 -0.064 1
1 234 . 9 1 1 A 34 34 LYS CA C 34 58.852 59.824 -0.972 1
1 235 . 9 1 1 A 34 34 LYS CB C 34 31.598 32.015 -0.417 1
1 239 . 9 1 1 A 34 34 LYS N N 34 119.567 119.300 0.267 1
1 240 . 9 1 1 A 35 35 HIS H H 35 8.814 8.138 0.676 1
1 241 . 9 1 1 A 35 35 HIS HA H 35 4.923 4.509 0.414 1
1 244 . 9 1 1 A 35 35 HIS CA C 35 57.821 58.534 -0.713 1
1 245 . 9 1 1 A 35 35 HIS CB C 35 29.950 28.901 1.049 1
1 246 . 9 1 1 A 35 35 HIS N N 35 122.252 117.606 4.646 1
1 247 . 9 1 1 A 36 36 ASP H H 36 9.292 8.098 1.194 1
1 248 . 9 1 1 A 36 36 ASP HA H 36 4.454 4.247 0.207 1
1 251 . 9 1 1 A 36 36 ASP CA C 36 57.305 57.790 -0.485 1
1 252 . 9 1 1 A 36 36 ASP CB C 36 39.889 41.445 -1.556 1
1 253 . 9 1 1 A 36 36 ASP N N 36 118.831 122.771 -3.940 1
1 254 . 9 1 1 A 37 37 GLN H H 37 7.673 8.240 -0.567 1
1 255 . 9 1 1 A 37 37 GLN HA H 37 4.241 4.450 -0.209 1
1 262 . 9 1 1 A 37 37 GLN CA C 37 59.019 59.409 -0.390 1
1 263 . 9 1 1 A 37 37 GLN CB C 37 28.315 28.257 0.058 1
1 265 . 9 1 1 A 37 37 GLN N N 37 120.072 119.001 1.071 1
1 266 . 9 1 1 A 38 38 GLN H H 38 8.329 7.711 0.618 1
1 267 . 9 1 1 A 38 38 GLN HA H 38 4.040 4.278 -0.238 1
1 274 . 9 1 1 A 38 38 GLN CA C 38 58.734 58.499 0.235 1
1 275 . 9 1 1 A 38 38 GLN CB C 38 28.549 28.867 -0.318 1
1 277 . 9 1 1 A 38 38 GLN N N 38 120.847 118.817 2.030 1
1 279 . 9 1 1 A 39 39 PHE H H 39 9.453 8.589 0.864 1
1 280 . 9 1 1 A 39 39 PHE HA H 39 2.811 4.236 -1.425 1
1 286 . 9 1 1 A 39 39 PHE CA C 39 61.602 61.279 0.323 1
1 287 . 9 1 1 A 39 39 PHE CB C 39 38.799 39.099 -0.300 1
1 291 . 9 1 1 A 39 39 PHE N N 39 123.507 122.920 0.587 1
1 292 . 9 1 1 A 40 40 HIS H H 40 8.096 8.329 -0.233 1
1 293 . 9 1 1 A 40 40 HIS HA H 40 3.884 4.248 -0.364 1
1 297 . 9 1 1 A 40 40 HIS CA C 40 59.910 60.085 -0.175 1
1 298 . 9 1 1 A 40 40 HIS CB C 40 29.558 29.519 0.039 1
1 300 . 9 1 1 A 40 40 HIS N N 40 114.319 118.925 -4.606 1
1 301 . 9 1 1 A 41 41 SER H H 41 7.818 7.960 -0.142 1
1 302 . 9 1 1 A 41 41 SER HA H 41 4.300 4.390 -0.090 1
1 305 . 9 1 1 A 41 41 SER CA C 41 60.851 61.819 -0.968 1
1 306 . 9 1 1 A 41 41 SER CB C 41 62.612 63.366 -0.754 1
1 307 . 9 1 1 A 41 41 SER N N 41 116.677 115.712 0.965 1
1 308 . 9 1 1 A 42 42 LEU H H 42 7.079 7.604 -0.525 1
1 309 . 9 1 1 A 42 42 LEU HA H 42 4.071 4.256 -0.185 1
1 319 . 9 1 1 A 42 42 LEU CA C 42 54.685 57.059 -2.374 1
1 320 . 9 1 1 A 42 42 LEU CB C 42 40.874 42.882 -2.008 1
1 324 . 9 1 1 A 42 42 LEU N N 42 121.868 122.180 -0.312 1
1 325 . 9 1 1 A 43 43 LYS H H 43 7.345 7.607 -0.262 1
1 326 . 9 1 1 A 43 43 LYS HA H 43 3.877 3.907 -0.030 1
1 335 . 9 1 1 A 43 43 LYS CA C 43 56.035 56.617 -0.582 1
1 336 . 9 1 1 A 43 43 LYS CB C 43 28.886 30.489 -1.603 1
1 340 . 9 1 1 A 43 43 LYS N N 43 110.393 117.814 -7.421 1
1 341 . 9 1 1 A 44 44 PRO HA H 44 4.239 4.421 -0.182 1
1 348 . 9 1 1 A 44 44 PRO CA C 44 62.424 62.790 -0.366 1
1 349 . 9 1 1 A 44 44 PRO CB C 44 32.413 32.373 0.040 1
1 352 . 9 1 1 A 45 45 ILE H H 45 8.586 8.126 0.460 1
1 353 . 9 1 1 A 45 45 ILE HA H 45 4.337 3.661 0.676 1
1 363 . 9 1 1 A 45 45 ILE CA C 45 60.170 64.115 -3.945 1
1 364 . 9 1 1 A 45 45 ILE CB C 45 39.143 37.783 1.360 1
1 368 . 9 1 1 A 45 45 ILE N N 45 120.985 123.018 -2.033 1
1 369 . 9 1 1 A 46 46 SER H H 46 9.512 7.949 1.563 1
1 370 . 9 1 1 A 46 46 SER HA H 46 4.055 4.798 -0.743 1
1 373 . 9 1 1 A 46 46 SER CA C 46 58.483 57.303 1.180 1
1 374 . 9 1 1 A 46 46 SER CB C 46 62.174 64.178 -2.004 1
1 375 . 9 1 1 A 46 46 SER N N 46 124.158 113.489 10.669 1
1 376 . 9 1 1 A 47 47 GLY H H 47 8.555 8.085 0.470 1
1 377 . 9 1 1 A 47 47 GLY HA2 H 47 4.020 3.740 0.280 1
1 378 . 9 1 1 A 47 47 GLY HA3 H 47 3.531 3.924 -0.393 1
1 379 . 9 1 1 A 47 47 GLY CA C 47 44.328 45.541 -1.213 1
1 380 . 9 1 1 A 47 47 GLY N N 47 162.194 108.391 53.803 1
1 381 . 9 1 1 A 48 48 PHE H H 48 7.710 7.545 0.165 1
1 382 . 9 1 1 A 48 48 PHE HA H 48 5.783 5.255 0.528 1
1 387 . 9 1 1 A 48 48 PHE CA C 48 56.732 55.755 0.977 1
1 388 . 9 1 1 A 48 48 PHE CB C 48 43.784 41.828 1.956 1
1 391 . 9 1 1 A 48 48 PHE N N 48 115.641 114.532 1.109 1
1 392 . 9 1 1 A 49 49 ILE H H 49 9.141 8.961 0.180 1
1 393 . 9 1 1 A 49 49 ILE HA H 49 4.908 4.860 0.048 1
1 403 . 9 1 1 A 49 49 ILE CA C 49 59.368 59.335 0.033 1
1 404 . 9 1 1 A 49 49 ILE CB C 49 39.945 42.430 -2.485 1
1 408 . 9 1 1 A 49 49 ILE N N 49 114.692 116.561 -1.869 1
1 409 . 9 1 1 A 50 50 THR H H 50 8.700 8.218 0.482 1
1 410 . 9 1 1 A 50 50 THR HA H 50 4.473 5.045 -0.572 1
1 415 . 9 1 1 A 50 50 THR CA C 50 60.914 59.940 0.974 1
1 416 . 9 1 1 A 50 50 THR CB C 50 70.829 72.039 -1.210 1
1 418 . 9 1 1 A 50 50 THR N N 50 112.658 110.474 2.184 1
1 419 . 9 1 1 A 51 51 GLY H H 51 8.778 9.086 -0.308 1
1 420 . 9 1 1 A 51 51 GLY HA2 H 51 3.790 3.780 0.010 1
1 421 . 9 1 1 A 51 51 GLY HA3 H 51 3.713 3.813 -0.100 1
1 422 . 9 1 1 A 51 51 GLY CA C 51 48.310 47.494 0.816 1
1 423 . 9 1 1 A 51 51 GLY N N 51 108.204 109.187 -0.983 1
1 424 . 9 1 1 A 52 52 ASP H H 52 8.225 8.331 -0.106 1
1 425 . 9 1 1 A 52 52 ASP HA H 52 4.216 4.341 -0.125 1
1 428 . 9 1 1 A 52 52 ASP CA C 52 57.344 57.290 0.054 1
1 429 . 9 1 1 A 52 52 ASP CB C 52 40.304 41.277 -0.973 1
1 430 . 9 1 1 A 52 52 ASP N N 52 119.404 121.547 -2.143 1
1 431 . 9 1 1 A 53 53 GLN H H 53 7.810 7.929 -0.119 1
1 432 . 9 1 1 A 53 53 GLN HA H 53 3.969 4.010 -0.041 1
1 439 . 9 1 1 A 53 53 GLN CA C 53 58.673 58.667 0.006 1
1 440 . 9 1 1 A 53 53 GLN CB C 53 29.794 28.311 1.483 1
1 442 . 9 1 1 A 53 53 GLN N N 53 118.935 118.463 0.472 1
1 444 . 9 1 1 A 54 54 ALA H H 54 8.293 8.522 -0.229 1
1 445 . 9 1 1 A 54 54 ALA HA H 54 3.642 4.146 -0.504 1
1 449 . 9 1 1 A 54 54 ALA CA C 54 55.243 55.520 -0.277 1
1 450 . 9 1 1 A 54 54 ALA CB C 54 19.448 18.078 1.370 1
1 451 . 9 1 1 A 54 54 ALA N N 54 120.858 122.388 -1.530 1
1 452 . 9 1 1 A 55 55 ARG H H 55 8.744 8.316 0.428 1
1 453 . 9 1 1 A 55 55 ARG HA H 55 3.795 3.885 -0.090 1
1 460 . 9 1 1 A 55 55 ARG CA C 55 60.628 59.483 1.145 1
1 461 . 9 1 1 A 55 55 ARG CB C 55 30.224 29.740 0.484 1
1 464 . 9 1 1 A 55 55 ARG N N 55 115.211 118.489 -3.278 1
1 465 . 9 1 1 A 56 56 ASN H H 56 8.056 8.433 -0.377 1
1 466 . 9 1 1 A 56 56 ASN HA H 56 4.470 4.593 -0.123 1
1 471 . 9 1 1 A 56 56 ASN CA C 56 56.091 56.273 -0.182 1
1 472 . 9 1 1 A 56 56 ASN CB C 56 38.069 38.529 -0.460 1
1 473 . 9 1 1 A 56 56 ASN N N 56 116.543 118.174 -1.631 1
1 475 . 9 1 1 A 57 57 PHE H H 57 7.567 8.213 -0.646 1
1 476 . 9 1 1 A 57 57 PHE HA H 57 4.517 4.267 0.250 1
1 481 . 9 1 1 A 57 57 PHE CA C 57 61.373 61.540 -0.167 1
1 482 . 9 1 1 A 57 57 PHE CB C 57 39.518 39.067 0.451 1
1 485 . 9 1 1 A 57 57 PHE N N 57 121.111 120.349 0.762 1
1 486 . 9 1 1 A 58 58 PHE H H 58 8.995 9.041 -0.046 1
1 487 . 9 1 1 A 58 58 PHE HA H 58 4.501 4.257 0.244 1
1 491 . 9 1 1 A 58 58 PHE CA C 58 57.190 61.359 -4.169 1
1 492 . 9 1 1 A 58 58 PHE CB C 58 37.236 38.469 -1.233 1
1 494 . 9 1 1 A 58 58 PHE N N 58 119.594 118.081 1.513 1
1 495 . 9 1 1 A 59 59 PHE H H 59 8.510 8.593 -0.083 1
1 496 . 9 1 1 A 59 59 PHE HA H 59 4.296 4.102 0.194 1
1 500 . 9 1 1 A 59 59 PHE CA C 59 60.456 61.554 -1.098 1
1 501 . 9 1 1 A 59 59 PHE CB C 59 38.914 39.251 -0.337 1
1 503 . 9 1 1 A 59 59 PHE N N 59 120.834 119.552 1.282 1
1 504 . 9 1 1 A 60 60 GLN H H 60 7.652 8.229 -0.577 1
1 505 . 9 1 1 A 60 60 GLN HA H 60 4.056 4.011 0.045 1
1 512 . 9 1 1 A 60 60 GLN CA C 60 57.133 56.731 0.402 1
1 513 . 9 1 1 A 60 60 GLN CB C 60 27.771 28.315 -0.544 1
1 515 . 9 1 1 A 60 60 GLN N N 60 116.464 118.460 -1.996 1
1 517 . 9 1 1 A 61 61 SER H H 61 7.823 7.417 0.406 1
1 518 . 9 1 1 A 61 61 SER HA H 61 3.985 4.289 -0.304 1
1 521 . 9 1 1 A 61 61 SER CA C 61 60.571 58.923 1.648 1
1 522 . 9 1 1 A 61 61 SER CB C 61 65.277 64.463 0.814 1
1 523 . 9 1 1 A 61 61 SER N N 61 113.448 112.749 0.699 1
1 524 . 9 1 1 A 62 62 GLY H H 62 7.478 7.962 -0.484 1
1 525 . 9 1 1 A 62 62 GLY HA2 H 62 4.115 3.856 0.259 1
1 526 . 9 1 1 A 62 62 GLY HA3 H 62 3.699 3.906 -0.207 1
1 527 . 9 1 1 A 62 62 GLY CA C 62 45.445 44.739 0.706 1
1 528 . 9 1 1 A 62 62 GLY N N 62 108.189 110.477 -2.288 1
1 529 . 9 1 1 A 63 63 LEU H H 63 7.282 7.486 -0.204 1
1 530 . 9 1 1 A 63 63 LEU HA H 63 4.471 4.541 -0.070 1
1 540 . 9 1 1 A 63 63 LEU CA C 63 52.971 52.400 0.571 1
1 541 . 9 1 1 A 63 63 LEU CB C 63 41.597 41.714 -0.117 1
1 545 . 9 1 1 A 63 63 LEU N N 63 120.356 122.219 -1.863 1
1 546 . 9 1 1 A 64 64 PRO HA H 64 4.559 4.570 -0.011 1
1 553 . 9 1 1 A 64 64 PRO CA C 64 63.039 62.820 0.219 1
1 554 . 9 1 1 A 64 64 PRO CB C 64 33.402 32.719 0.683 1
1 557 . 9 1 1 A 65 65 GLN H H 65 9.289 9.075 0.214 1
1 558 . 9 1 1 A 65 65 GLN HA H 65 4.194 4.162 0.032 1
1 563 . 9 1 1 A 65 65 GLN CA C 65 61.180 60.457 0.723 1
1 564 . 9 1 1 A 65 65 GLN CB C 65 25.845 27.272 -1.427 1
1 566 . 9 1 1 A 65 65 GLN N N 65 122.729 123.448 -0.719 1
1 567 . 9 1 1 A 66 66 PRO HA H 66 4.399 4.298 0.101 1
1 574 . 9 1 1 A 66 66 PRO CA C 66 65.956 66.052 -0.096 1
1 575 . 9 1 1 A 66 66 PRO CB C 66 30.665 30.873 -0.208 1
1 578 . 9 1 1 A 67 67 VAL H H 67 6.875 7.304 -0.429 1
1 579 . 9 1 1 A 67 67 VAL HA H 67 3.930 3.805 0.125 1
1 587 . 9 1 1 A 67 67 VAL CA C 67 64.811 65.344 -0.533 1
1 588 . 9 1 1 A 67 67 VAL CB C 67 31.581 31.561 0.020 1
1 591 . 9 1 1 A 67 67 VAL N N 67 117.350 116.359 0.991 1
1 592 . 9 1 1 A 68 68 LEU H H 68 7.965 8.298 -0.333 1
1 593 . 9 1 1 A 68 68 LEU HA H 68 3.955 4.258 -0.303 1
1 603 . 9 1 1 A 68 68 LEU CA C 68 57.878 58.054 -0.176 1
1 604 . 9 1 1 A 68 68 LEU CB C 68 40.821 41.669 -0.848 1
1 608 . 9 1 1 A 68 68 LEU N N 68 119.980 119.799 0.181 1
1 609 . 9 1 1 A 69 69 ALA H H 69 8.577 9.031 -0.454 1
1 610 . 9 1 1 A 69 69 ALA HA H 69 4.375 4.122 0.253 1
1 614 . 9 1 1 A 69 69 ALA CA C 69 55.128 55.203 -0.075 1
1 615 . 9 1 1 A 69 69 ALA CB C 69 17.533 18.191 -0.658 1
1 616 . 9 1 1 A 69 69 ALA N N 69 122.731 121.814 0.917 1
1 617 . 9 1 1 A 70 70 GLN H H 70 7.534 7.804 -0.270 1
1 618 . 9 1 1 A 70 70 GLN HA H 70 4.190 4.047 0.143 1
1 625 . 9 1 1 A 70 70 GLN CA C 70 58.623 58.995 -0.372 1
1 626 . 9 1 1 A 70 70 GLN CB C 70 28.349 28.337 0.012 1
1 628 . 9 1 1 A 70 70 GLN N N 70 120.846 117.915 2.931 1
1 630 . 9 1 1 A 71 71 ILE H H 71 8.170 7.940 0.230 1
1 631 . 9 1 1 A 71 71 ILE HA H 71 3.455 3.811 -0.356 1
1 641 . 9 1 1 A 71 71 ILE CA C 71 66.530 65.419 1.111 1
1 642 . 9 1 1 A 71 71 ILE CB C 71 37.768 37.982 -0.214 1
1 646 . 9 1 1 A 71 71 ILE N N 71 120.351 119.796 0.555 1
1 647 . 9 1 1 A 72 72 TRP H H 72 8.473 8.653 -0.180 1
1 648 . 9 1 1 A 72 72 TRP HA H 72 3.845 4.324 -0.479 1
1 657 . 9 1 1 A 72 72 TRP CA C 72 61.144 61.283 -0.139 1
1 658 . 9 1 1 A 72 72 TRP CB C 72 28.496 28.513 -0.017 1
1 664 . 9 1 1 A 72 72 TRP N N 72 119.417 122.094 -2.677 1
1 666 . 9 1 1 A 73 73 ALA H H 73 7.647 8.445 -0.798 1
1 667 . 9 1 1 A 73 73 ALA HA H 73 4.012 3.856 0.156 1
1 671 . 9 1 1 A 73 73 ALA CA C 73 54.154 54.889 -0.735 1
1 672 . 9 1 1 A 73 73 ALA CB C 73 18.059 18.038 0.021 1
1 673 . 9 1 1 A 73 73 ALA N N 73 116.148 121.662 -5.514 1
1 674 . 9 1 1 A 74 74 LEU H H 74 7.493 8.073 -0.580 1
1 675 . 9 1 1 A 74 74 LEU HA H 74 3.947 4.070 -0.123 1
1 685 . 9 1 1 A 74 74 LEU CA C 74 56.478 57.814 -1.336 1
1 686 . 9 1 1 A 74 74 LEU CB C 74 43.726 42.032 1.694 1
1 690 . 9 1 1 A 74 74 LEU N N 74 115.647 121.050 -5.403 1
1 691 . 9 1 1 A 75 75 ALA H H 75 7.952 8.473 -0.521 1
1 692 . 9 1 1 A 75 75 ALA HA H 75 4.019 4.223 -0.204 1
1 696 . 9 1 1 A 75 75 ALA CA C 75 53.982 55.265 -1.283 1
1 697 . 9 1 1 A 75 75 ALA CB C 75 19.913 18.334 1.579 1
1 698 . 9 1 1 A 75 75 ALA N N 75 118.000 121.082 -3.082 1
1 699 . 9 1 1 A 76 76 ASP H H 76 7.798 8.218 -0.420 1
1 700 . 9 1 1 A 76 76 ASP HA H 76 4.587 4.645 -0.058 1
1 703 . 9 1 1 A 76 76 ASP CA C 76 51.849 53.214 -1.365 1
1 704 . 9 1 1 A 76 76 ASP CB C 76 36.265 39.417 -3.152 1
1 705 . 9 1 1 A 76 76 ASP N N 76 114.297 116.873 -2.576 1
1 706 . 9 1 1 A 77 77 MET H H 77 8.077 8.177 -0.100 1
1 707 . 9 1 1 A 77 77 MET HA H 77 3.867 4.098 -0.231 1
1 715 . 9 1 1 A 77 77 MET CA C 77 59.024 59.066 -0.042 1
1 716 . 9 1 1 A 77 77 MET CB C 77 34.550 33.262 1.288 1
1 719 . 9 1 1 A 77 77 MET N N 77 123.959 123.699 0.260 1
1 720 . 9 1 1 A 78 78 ASN H H 78 7.801 7.913 -0.112 1
1 721 . 9 1 1 A 78 78 ASN HA H 78 4.839 4.641 0.198 1
1 726 . 9 1 1 A 78 78 ASN CA C 78 50.889 52.809 -1.920 1
1 727 . 9 1 1 A 78 78 ASN CB C 78 37.028 38.185 -1.157 1
1 728 . 9 1 1 A 78 78 ASN N N 78 112.247 113.415 -1.168 1
1 730 . 9 1 1 A 79 79 ASN H H 79 8.019 8.061 -0.042 1
1 731 . 9 1 1 A 79 79 ASN HA H 79 4.380 5.170 -0.790 1
1 736 . 9 1 1 A 79 79 ASN CA C 79 54.319 53.877 0.442 1
1 737 . 9 1 1 A 79 79 ASN CB C 79 37.867 36.707 1.160 1
1 738 . 9 1 1 A 79 79 ASN N N 79 116.050 117.304 -1.254 1
1 740 . 9 1 1 A 80 80 ASP H H 80 8.019 7.655 0.364 1
1 741 . 9 1 1 A 80 80 ASP HA H 80 4.784 4.747 0.037 1
1 744 . 9 1 1 A 80 80 ASP CA C 80 52.672 54.185 -1.513 1
1 745 . 9 1 1 A 80 80 ASP CB C 80 41.585 41.583 0.002 1
1 746 . 9 1 1 A 80 80 ASP N N 80 115.620 123.239 -7.619 1
1 747 . 9 1 1 A 81 81 GLY H H 81 10.345 8.043 2.302 1
1 748 . 9 1 1 A 81 81 GLY HA2 H 81 4.339 4.073 0.266 1
1 749 . 9 1 1 A 81 81 GLY HA3 H 81 4.044 4.169 -0.125 1
1 750 . 9 1 1 A 81 81 GLY CA C 81 46.560 45.670 0.890 1
1 751 . 9 1 1 A 81 81 GLY N N 81 112.191 107.201 4.990 1
1 752 . 9 1 1 A 82 82 ARG H H 82 8.365 8.241 0.124 1
1 753 . 9 1 1 A 82 82 ARG HA H 82 5.105 4.549 0.556 1
1 760 . 9 1 1 A 82 82 ARG CA C 82 53.982 55.542 -1.560 1
1 761 . 9 1 1 A 82 82 ARG CB C 82 33.303 31.794 1.509 1
1 764 . 9 1 1 A 82 82 ARG N N 82 117.518 118.413 -0.895 1
1 765 . 9 1 1 A 83 83 MET H H 83 9.038 8.236 0.802 1
1 766 . 9 1 1 A 83 83 MET HA H 83 6.142 4.453 1.689 1
1 774 . 9 1 1 A 83 83 MET CA C 83 55.586 56.367 -0.781 1
1 775 . 9 1 1 A 83 83 MET CB C 83 38.610 31.410 7.200 1
1 778 . 9 1 1 A 83 83 MET N N 83 120.510 118.790 1.720 1
1 779 . 9 1 1 A 84 84 ASP H H 84 7.586 8.327 -0.741 1
1 780 . 9 1 1 A 84 84 ASP HA H 84 5.259 4.816 0.443 1
1 783 . 9 1 1 A 84 84 ASP CA C 84 51.182 53.985 -2.803 1
1 784 . 9 1 1 A 84 84 ASP CB C 84 42.047 41.946 0.101 1
1 785 . 9 1 1 A 84 84 ASP N N 84 122.321 126.577 -4.256 1
1 786 . 9 1 1 A 85 85 GLN H H 85 7.988 9.053 -1.065 1
1 787 . 9 1 1 A 85 85 GLN HA H 85 2.609 4.365 -1.756 1
1 794 . 9 1 1 A 85 85 GLN CA C 85 58.909 58.945 -0.036 1
1 795 . 9 1 1 A 85 85 GLN CB C 85 29.346 28.324 1.022 1
1 797 . 9 1 1 A 85 85 GLN N N 85 115.617 123.838 -8.221 1
1 799 . 9 1 1 A 86 86 VAL H H 86 7.357 8.347 -0.990 1
1 800 . 9 1 1 A 86 86 VAL HA H 86 3.557 3.616 -0.059 1
1 808 . 9 1 1 A 86 86 VAL CA C 86 66.117 66.607 -0.490 1
1 809 . 9 1 1 A 86 86 VAL CB C 86 31.538 31.660 -0.122 1
1 812 . 9 1 1 A 86 86 VAL N N 86 120.551 121.211 -0.660 1
1 813 . 9 1 1 A 87 87 GLU H H 87 8.375 8.313 0.062 1
1 814 . 9 1 1 A 87 87 GLU HA H 87 3.908 4.117 -0.209 1
1 819 . 9 1 1 A 87 87 GLU CA C 87 59.424 59.584 -0.160 1
1 820 . 9 1 1 A 87 87 GLU CB C 87 31.466 29.407 2.059 1
1 822 . 9 1 1 A 87 87 GLU N N 87 119.417 118.932 0.485 1
1 823 . 9 1 1 A 88 88 PHE H H 88 8.482 8.828 -0.346 1
1 824 . 9 1 1 A 88 88 PHE HA H 88 4.427 4.131 0.296 1
1 828 . 9 1 1 A 88 88 PHE CA C 88 62.061 61.137 0.924 1
1 829 . 9 1 1 A 88 88 PHE CB C 88 40.726 39.184 1.542 1
1 831 . 9 1 1 A 88 88 PHE N N 88 117.094 122.332 -5.238 1
1 832 . 9 1 1 A 89 89 SER H H 89 7.490 8.058 -0.568 1
1 833 . 9 1 1 A 89 89 SER HA H 89 4.763 3.664 1.099 1
1 836 . 9 1 1 A 89 89 SER CA C 89 59.783 60.801 -1.018 1
1 837 . 9 1 1 A 89 89 SER CB C 89 59.544 63.058 -3.514 1
1 838 . 9 1 1 A 89 89 SER N N 89 113.424 113.382 0.042 1
1 839 . 9 1 1 A 90 90 ILE H H 90 8.034 7.742 0.292 1
1 840 . 9 1 1 A 90 90 ILE HA H 90 3.506 4.021 -0.515 1
1 850 . 9 1 1 A 90 90 ILE CA C 90 66.098 62.638 3.460 1
1 851 . 9 1 1 A 90 90 ILE CB C 90 37.905 38.975 -1.070 1
1 855 . 9 1 1 A 90 90 ILE N N 90 118.472 120.918 -2.446 1
1 856 . 9 1 1 A 91 91 ALA H H 91 8.197 7.607 0.590 1
1 857 . 9 1 1 A 91 91 ALA HA H 91 4.286 4.084 0.202 1
1 861 . 9 1 1 A 91 91 ALA CA C 91 52.435 55.193 -2.758 1
1 862 . 9 1 1 A 91 91 ALA CB C 91 19.091 18.030 1.061 1
1 863 . 9 1 1 A 91 91 ALA N N 91 119.275 124.288 -5.013 1
1 864 . 9 1 1 A 92 92 MET H H 92 8.183 7.240 0.943 1
1 865 . 9 1 1 A 92 92 MET HA H 92 4.268 3.956 0.312 1
1 870 . 9 1 1 A 92 92 MET CA C 92 55.643 58.200 -2.557 1
1 871 . 9 1 1 A 92 92 MET CB C 92 29.521 32.260 -2.739 1
1 873 . 9 1 1 A 92 92 MET N N 92 118.681 118.009 0.672 1
1 874 . 9 1 1 A 93 93 LYS H H 93 8.172 7.853 0.319 1
1 875 . 9 1 1 A 93 93 LYS HA H 93 4.006 3.957 0.049 1
1 878 . 9 1 1 A 93 93 LYS CA C 93 56.840 59.353 -2.513 1
1 879 . 9 1 1 A 93 93 LYS CB C 93 32.830 32.468 0.362 1
1 880 . 9 1 1 A 93 93 LYS N N 93 120.362 119.183 1.179 1
1 881 . 9 1 1 A 94 94 LEU H H 94 8.017 7.995 0.022 1
1 882 . 9 1 1 A 94 94 LEU HA H 94 3.884 4.041 -0.157 1
1 892 . 9 1 1 A 94 94 LEU CA C 94 58.234 58.012 0.222 1
1 893 . 9 1 1 A 94 94 LEU CB C 94 42.050 41.565 0.485 1
1 897 . 9 1 1 A 94 94 LEU N N 94 114.192 119.938 -5.746 1
1 898 . 9 1 1 A 95 95 ILE H H 95 8.377 7.874 0.503 1
1 899 . 9 1 1 A 95 95 ILE HA H 95 3.254 3.434 -0.180 1
1 909 . 9 1 1 A 95 95 ILE CA C 95 66.013 65.759 0.254 1
1 910 . 9 1 1 A 95 95 ILE CB C 95 38.284 37.885 0.399 1
1 914 . 9 1 1 A 95 95 ILE N N 95 118.949 119.885 -0.936 1
1 915 . 9 1 1 A 96 96 LYS H H 96 7.751 7.577 0.174 1
1 916 . 9 1 1 A 96 96 LYS HA H 96 3.928 4.073 -0.145 1
1 925 . 9 1 1 A 96 96 LYS CA C 96 59.701 59.102 0.599 1
1 926 . 9 1 1 A 96 96 LYS CB C 96 32.286 31.946 0.340 1
1 930 . 9 1 1 A 96 96 LYS N N 96 119.637 120.887 -1.250 1
1 931 . 9 1 1 A 97 97 LEU H H 97 8.382 8.025 0.357 1
1 932 . 9 1 1 A 97 97 LEU HA H 97 4.006 3.940 0.066 1
1 942 . 9 1 1 A 97 97 LEU CA C 97 57.363 57.733 -0.370 1
1 943 . 9 1 1 A 97 97 LEU CB C 97 40.459 41.585 -1.126 1
1 947 . 9 1 1 A 97 97 LEU N N 97 117.727 120.988 -3.261 1
1 948 . 9 1 1 A 98 98 LYS H H 98 8.761 8.418 0.343 1
1 949 . 9 1 1 A 98 98 LYS HA H 98 4.548 4.143 0.405 1
1 958 . 9 1 1 A 98 98 LYS CA C 98 57.477 59.312 -1.835 1
1 959 . 9 1 1 A 98 98 LYS CB C 98 31.294 31.791 -0.497 1
1 963 . 9 1 1 A 98 98 LYS N N 98 122.255 119.101 3.154 1
1 964 . 9 1 1 A 99 99 LEU H H 99 8.798 7.758 1.040 1
1 965 . 9 1 1 A 99 99 LEU HA H 99 4.100 3.932 0.168 1
1 975 . 9 1 1 A 99 99 LEU CA C 99 57.878 57.994 -0.116 1
1 976 . 9 1 1 A 99 99 LEU CB C 99 41.605 40.951 0.654 1
1 980 . 9 1 1 A 99 99 LEU N N 99 122.214 120.250 1.964 1
1 981 . 9 1 1 A 100 100 GLN H H 100 7.749 7.390 0.359 1
1 982 . 9 1 1 A 100 100 GLN HA H 100 4.285 4.343 -0.058 1
1 989 . 9 1 1 A 100 100 GLN CA C 100 56.503 56.745 -0.242 1
1 990 . 9 1 1 A 100 100 GLN CB C 100 29.576 29.428 0.148 1
1 992 . 9 1 1 A 100 100 GLN N N 100 116.914 117.202 -0.288 1
1 993 . 9 1 1 A 101 101 GLY H H 101 7.910 7.807 0.103 1
1 994 . 9 1 1 A 101 101 GLY HA2 H 101 4.262 3.973 0.289 1
1 995 . 9 1 1 A 101 101 GLY HA3 H 101 3.661 4.026 -0.365 1
1 996 . 9 1 1 A 101 101 GLY CA C 101 44.884 45.737 -0.853 1
1 997 . 9 1 1 A 101 101 GLY N N 101 106.044 107.714 -1.670 1
1 998 . 9 1 1 A 102 102 TYR H H 102 8.078 7.466 0.612 1
1 999 . 9 1 1 A 102 102 TYR HA H 102 4.311 4.853 -0.542 1
1 1006 . 9 1 1 A 102 102 TYR CA C 102 59.253 57.540 1.713 1
1 1007 . 9 1 1 A 102 102 TYR CB C 102 37.849 41.624 -3.775 1
1 1010 . 9 1 1 A 102 102 TYR N N 102 120.876 118.426 2.450 1
1 1011 . 9 1 1 A 103 103 GLN H H 103 8.610 8.998 -0.388 1
1 1012 . 9 1 1 A 103 103 GLN HA H 103 4.280 5.220 -0.940 1
1 1015 . 9 1 1 A 103 103 GLN CA C 103 56.620 54.235 2.385 1
1 1016 . 9 1 1 A 103 103 GLN CB C 103 29.100 32.136 -3.036 1
1 1017 . 9 1 1 A 103 103 GLN N N 103 119.785 119.311 0.474 1
1 1018 . 9 1 1 A 105 105 PRO HA H 105 4.631 4.793 -0.162 1
1 1025 . 9 1 1 A 105 105 PRO CA C 105 61.602 62.142 -0.540 1
1 1026 . 9 1 1 A 105 105 PRO CB C 105 31.690 33.151 -1.461 1
1 1029 . 9 1 1 A 106 106 SER H H 106 8.485 8.926 -0.441 1
1 1030 . 9 1 1 A 106 106 SER HA H 106 4.183 4.625 -0.442 1
1 1033 . 9 1 1 A 106 106 SER CA C 106 59.525 58.697 0.828 1
1 1034 . 9 1 1 A 106 106 SER CB C 106 63.078 63.742 -0.664 1
1 1035 . 9 1 1 A 106 106 SER N N 106 112.361 115.348 -2.987 1
1 1036 . 9 1 1 A 107 107 ALA H H 107 7.410 7.542 -0.132 1
1 1037 . 9 1 1 A 107 107 ALA HA H 107 4.308 4.712 -0.404 1
1 1041 . 9 1 1 A 107 107 ALA CA C 107 50.086 51.121 -1.035 1
1 1042 . 9 1 1 A 107 107 ALA CB C 107 21.253 21.509 -0.256 1
1 1043 . 9 1 1 A 107 107 ALA N N 107 121.311 122.241 -0.930 1
1 1044 . 9 1 1 A 108 108 LEU H H 108 8.915 8.942 -0.027 1
1 1045 . 9 1 1 A 108 108 LEU HA H 108 4.020 4.618 -0.598 1
1 1055 . 9 1 1 A 108 108 LEU CA C 108 52.990 53.020 -0.030 1
1 1056 . 9 1 1 A 108 108 LEU CB C 108 42.041 40.984 1.057 1
1 1060 . 9 1 1 A 108 108 LEU N N 108 122.607 124.385 -1.778 1
1 1061 . 9 1 1 A 110 110 PRO HA H 110 4.024 4.316 -0.292 1
1 1068 . 9 1 1 A 110 110 PRO CA C 110 65.440 64.872 0.568 1
1 1069 . 9 1 1 A 110 110 PRO CB C 110 31.638 32.025 -0.387 1
1 1072 . 9 1 1 A 111 111 VAL H H 111 8.118 7.333 0.785 1
1 1073 . 9 1 1 A 111 111 VAL HA H 111 3.986 3.771 0.215 1
1 1081 . 9 1 1 A 111 111 VAL CA C 111 63.779 65.463 -1.684 1
1 1082 . 9 1 1 A 111 111 VAL CB C 111 31.065 31.247 -0.182 1
1 1085 . 9 1 1 A 111 111 VAL N N 111 115.605 116.403 -0.798 1
1 1086 . 9 1 1 A 112 112 MET H H 112 7.908 8.100 -0.192 1
1 1087 . 9 1 1 A 112 112 MET HA H 112 4.160 4.369 -0.209 1
1 1095 . 9 1 1 A 112 112 MET CA C 112 59.098 57.220 1.878 1
1 1096 . 9 1 1 A 112 112 MET CB C 112 34.024 32.210 1.814 1
1 1099 . 9 1 1 A 112 112 MET N N 112 118.943 117.467 1.476 1
1 1100 . 9 1 1 A 113 113 LYS H H 113 7.330 7.412 -0.082 1
1 1101 . 9 1 1 A 113 113 LYS HA H 113 4.182 4.412 -0.230 1
1 1110 . 9 1 1 A 113 113 LYS CA C 113 55.987 56.425 -0.438 1
1 1111 . 9 1 1 A 113 113 LYS CB C 113 32.841 34.296 -1.455 1
1 1115 . 9 1 1 A 113 113 LYS N N 113 112.617 114.731 -2.114 1
1 1116 . 9 1 1 A 114 114 GLN H H 114 7.114 8.151 -1.037 1
1 1117 . 9 1 1 A 114 114 GLN HA H 114 4.309 4.270 0.039 1
1 1124 . 9 1 1 A 114 114 GLN CA C 114 54.956 57.960 -3.004 1
1 1125 . 9 1 1 A 114 114 GLN CB C 114 29.241 27.404 1.837 1
1 1127 . 9 1 1 A 114 114 GLN N N 114 117.852 116.174 1.678 1
1 1129 . 9 1 1 A 115 115 GLN H H 115 8.556 8.401 0.155 1
1 1130 . 9 1 1 A 115 115 GLN HA H 115 4.501 4.599 -0.098 1
1 1137 . 9 1 1 A 115 115 GLN CA C 115 53.858 53.518 0.340 1
1 1138 . 9 1 1 A 115 115 GLN CB C 115 28.234 30.336 -2.102 1
1 1140 . 9 1 1 A 115 115 GLN N N 115 123.195 121.663 1.532 1
1 1142 . 9 1 1 A 116 116 PRO HA H 116 4.530 4.623 -0.093 1
1 1149 . 9 1 1 A 116 116 PRO CA C 116 63.050 62.325 0.725 1
1 1150 . 9 1 1 A 116 116 PRO CB C 116 31.953 28.968 2.985 1
1 1153 . 9 1 1 A 117 117 VAL H H 117 8.345 8.348 -0.003 1
1 1154 . 9 1 1 A 117 117 VAL HA H 117 4.167 4.262 -0.095 1
1 1162 . 9 1 1 A 117 117 VAL CA C 117 61.258 61.447 -0.189 1
1 1163 . 9 1 1 A 117 117 VAL CB C 117 33.724 31.656 2.068 1
1 1166 . 9 1 1 A 117 117 VAL N N 117 120.361 120.253 0.108 1
1 1167 . 9 1 1 A 118 118 ALA H H 118 8.470 8.601 -0.131 1
1 1168 . 9 1 1 A 118 118 ALA HA H 118 4.452 4.558 -0.106 1
1 1172 . 9 1 1 A 118 118 ALA CA C 118 51.678 50.888 0.790 1
1 1173 . 9 1 1 A 118 118 ALA CB C 118 19.260 20.082 -0.822 1
1 1174 . 9 1 1 A 118 118 ALA N N 118 128.412 127.566 0.846 1
1 1175 . 9 1 1 A 119 119 ILE H H 119 8.250 8.068 0.182 1
1 1176 . 9 1 1 A 119 119 ILE HA H 119 4.240 3.785 0.455 1
1 1186 . 9 1 1 A 119 119 ILE CA C 119 60.743 63.960 -3.217 1
1 1187 . 9 1 1 A 119 119 ILE CB C 119 38.914 35.837 3.077 1
1 1191 . 9 1 1 A 119 119 ILE N N 119 120.929 114.194 6.735 1
1 1192 . 9 1 1 A 120 120 SER H H 120 8.413 8.661 -0.248 1
1 1193 . 9 1 1 A 120 120 SER HA H 120 4.543 4.373 0.170 1
1 1196 . 9 1 1 A 120 120 SER CA C 120 57.878 59.495 -1.617 1
1 1197 . 9 1 1 A 120 120 SER CB C 120 63.951 62.822 1.129 1
1 1198 . 9 1 1 A 120 120 SER N N 120 120.494 118.539 1.955 1
1 1 . 10 1 1 A 12 12 ALA H H 12 8.223 8.710 -0.487 1
1 2 . 10 1 1 A 12 12 ALA HA H 12 4.220 4.947 -0.727 1
1 6 . 10 1 1 A 12 12 ALA CA C 12 52.323 50.837 1.486 1
1 7 . 10 1 1 A 12 12 ALA CB C 12 19.015 20.257 -1.242 1
1 8 . 10 1 1 A 12 12 ALA N N 12 124.624 125.910 -1.286 1
1 9 . 10 1 1 A 13 13 GLN H H 13 8.220 8.888 -0.668 1
1 10 . 10 1 1 A 13 13 GLN HA H 13 4.292 4.946 -0.654 1
1 13 . 10 1 1 A 13 13 GLN CA C 13 55.457 54.590 0.867 1
1 14 . 10 1 1 A 13 13 GLN CB C 13 29.804 31.934 -2.130 1
1 15 . 10 1 1 A 13 13 GLN N N 13 119.119 123.118 -3.999 1
1 16 . 10 1 1 A 14 14 PHE H H 14 8.109 8.893 -0.784 1
1 17 . 10 1 1 A 14 14 PHE HA H 14 4.559 5.195 -0.636 1
1 20 . 10 1 1 A 14 14 PHE CA C 14 58.250 55.370 2.880 1
1 21 . 10 1 1 A 14 14 PHE CB C 14 39.950 40.720 -0.770 1
1 22 . 10 1 1 A 14 14 PHE N N 14 121.712 124.282 -2.570 1
1 23 . 10 1 1 A 15 15 PRO HA H 15 4.492 4.490 0.002 1
1 30 . 10 1 1 A 15 15 PRO CA C 15 63.047 62.629 0.418 1
1 31 . 10 1 1 A 15 15 PRO CB C 15 31.810 32.322 -0.512 1
1 34 . 10 1 1 A 16 16 THR H H 16 8.197 8.081 0.116 1
1 35 . 10 1 1 A 16 16 THR HA H 16 4.614 4.485 0.129 1
1 40 . 10 1 1 A 16 16 THR CA C 16 59.526 60.142 -0.616 1
1 41 . 10 1 1 A 16 16 THR CB C 16 69.603 68.830 0.773 1
1 43 . 10 1 1 A 16 16 THR N N 16 115.700 113.606 2.094 1
1 44 . 10 1 1 A 17 17 PRO HA H 17 4.360 4.324 0.036 1
1 51 . 10 1 1 A 17 17 PRO CA C 17 63.321 62.094 1.227 1
1 52 . 10 1 1 A 17 17 PRO CB C 17 31.680 32.751 -1.071 1
1 55 . 10 1 1 A 18 18 PHE H H 18 8.212 8.541 -0.329 1
1 56 . 10 1 1 A 18 18 PHE HA H 18 4.589 5.253 -0.664 1
1 64 . 10 1 1 A 18 18 PHE CA C 18 57.648 55.924 1.724 1
1 65 . 10 1 1 A 18 18 PHE CB C 18 39.165 42.169 -3.004 1
1 69 . 10 1 1 A 18 18 PHE N N 18 119.185 119.558 -0.373 1
1 70 . 10 1 1 A 19 19 GLY H H 19 8.250 8.821 -0.571 1
1 71 . 10 1 1 A 19 19 GLY HA2 H 19 3.943 4.219 -0.276 1
1 72 . 10 1 1 A 19 19 GLY HA3 H 19 3.935 4.235 -0.300 1
1 73 . 10 1 1 A 19 19 GLY CA C 19 45.100 46.216 -1.116 1
1 74 . 10 1 1 A 19 19 GLY N N 19 110.566 112.401 -1.835 1
1 75 . 10 1 1 A 20 20 GLY H H 20 7.873 8.477 -0.604 1
1 76 . 10 1 1 A 20 20 GLY HA2 H 20 3.964 3.987 -0.023 1
1 77 . 10 1 1 A 20 20 GLY HA3 H 20 3.955 3.991 -0.036 1
1 78 . 10 1 1 A 20 20 GLY CA C 20 45.056 46.731 -1.675 1
1 79 . 10 1 1 A 20 20 GLY N N 20 108.171 109.661 -1.490 1
1 80 . 10 1 1 A 21 21 SER H H 21 8.274 8.669 -0.395 1
1 81 . 10 1 1 A 21 21 SER HA H 21 4.523 4.931 -0.408 1
1 84 . 10 1 1 A 21 21 SER CA C 21 57.951 57.612 0.339 1
1 85 . 10 1 1 A 21 21 SER CB C 21 63.946 61.716 2.230 1
1 86 . 10 1 1 A 21 21 SER N N 21 115.180 122.768 -7.588 1
1 87 . 10 1 1 A 22 22 LEU H H 22 8.435 8.588 -0.153 1
1 88 . 10 1 1 A 22 22 LEU HA H 22 4.302 4.737 -0.435 1
1 98 . 10 1 1 A 22 22 LEU CA C 22 55.846 53.320 2.526 1
1 99 . 10 1 1 A 22 22 LEU CB C 22 42.229 44.413 -2.184 1
1 103 . 10 1 1 A 22 22 LEU N N 22 123.998 126.634 -2.636 1
1 104 . 10 1 1 A 23 23 ASP H H 23 8.291 8.864 -0.573 1
1 105 . 10 1 1 A 23 23 ASP HA H 23 4.494 4.405 0.089 1
1 108 . 10 1 1 A 23 23 ASP CA C 23 54.981 54.773 0.208 1
1 109 . 10 1 1 A 23 23 ASP CB C 23 41.190 38.389 2.801 1
1 110 . 10 1 1 A 23 23 ASP N N 23 120.385 121.006 -0.621 1
1 111 . 10 1 1 A 24 24 THR H H 24 8.010 8.012 -0.002 1
1 112 . 10 1 1 A 24 24 THR HA H 24 3.770 4.322 -0.552 1
1 117 . 10 1 1 A 24 24 THR CA C 24 64.590 64.182 0.408 1
1 118 . 10 1 1 A 24 24 THR CB C 24 69.620 69.749 -0.129 1
1 120 . 10 1 1 A 24 24 THR N N 24 117.799 116.064 1.735 1
1 121 . 10 1 1 A 25 25 TRP H H 25 7.780 7.854 -0.074 1
1 122 . 10 1 1 A 25 25 TRP HA H 25 4.012 4.800 -0.788 1
1 131 . 10 1 1 A 25 25 TRP CA C 25 57.837 56.332 1.505 1
1 132 . 10 1 1 A 25 25 TRP CB C 25 28.842 29.538 -0.696 1
1 138 . 10 1 1 A 25 25 TRP N N 25 118.659 118.104 0.555 1
1 140 . 10 1 1 A 26 26 ALA H H 26 7.101 7.340 -0.239 1
1 141 . 10 1 1 A 26 26 ALA HA H 26 3.949 4.576 -0.627 1
1 145 . 10 1 1 A 26 26 ALA CA C 26 52.102 50.735 1.367 1
1 146 . 10 1 1 A 26 26 ALA CB C 26 18.840 22.159 -3.319 1
1 147 . 10 1 1 A 26 26 ALA N N 26 117.054 122.162 -5.108 1
1 148 . 10 1 1 A 27 27 ILE H H 27 8.687 8.696 -0.009 1
1 149 . 10 1 1 A 27 27 ILE HA H 27 4.332 4.415 -0.083 1
1 159 . 10 1 1 A 27 27 ILE CA C 27 61.430 60.942 0.488 1
1 160 . 10 1 1 A 27 27 ILE CB C 27 38.550 37.181 1.369 1
1 164 . 10 1 1 A 27 27 ILE N N 27 125.107 120.693 4.414 1
1 165 . 10 1 1 A 28 28 THR H H 28 8.981 8.184 0.797 1
1 166 . 10 1 1 A 28 28 THR HA H 28 4.760 4.470 0.290 1
1 171 . 10 1 1 A 28 28 THR CA C 28 60.685 62.584 -1.899 1
1 172 . 10 1 1 A 28 28 THR CB C 28 71.252 69.485 1.767 1
1 174 . 10 1 1 A 28 28 THR N N 28 118.938 123.251 -4.313 1
1 175 . 10 1 1 A 29 29 VAL H H 29 8.612 8.760 -0.148 1
1 176 . 10 1 1 A 29 29 VAL HA H 29 3.532 3.666 -0.134 1
1 184 . 10 1 1 A 29 29 VAL CA C 29 66.349 67.207 -0.858 1
1 185 . 10 1 1 A 29 29 VAL CB C 29 31.799 31.914 -0.115 1
1 188 . 10 1 1 A 29 29 VAL N N 29 119.411 123.860 -4.449 1
1 189 . 10 1 1 A 30 30 GLU H H 30 8.432 8.122 0.310 1
1 190 . 10 1 1 A 30 30 GLU HA H 30 4.011 3.923 0.088 1
1 195 . 10 1 1 A 30 30 GLU CA C 30 59.597 60.075 -0.478 1
1 196 . 10 1 1 A 30 30 GLU CB C 30 28.912 29.070 -0.158 1
1 198 . 10 1 1 A 30 30 GLU N N 30 119.890 119.985 -0.095 1
1 199 . 10 1 1 A 31 31 GLU H H 31 7.737 8.413 -0.676 1
1 200 . 10 1 1 A 31 31 GLU HA H 31 3.604 4.027 -0.423 1
1 205 . 10 1 1 A 31 31 GLU CA C 31 58.718 59.167 -0.449 1
1 206 . 10 1 1 A 31 31 GLU CB C 31 30.666 29.436 1.230 1
1 208 . 10 1 1 A 31 31 GLU N N 31 120.821 117.611 3.210 1
1 209 . 10 1 1 A 32 32 ARG H H 32 8.382 8.725 -0.343 1
1 210 . 10 1 1 A 32 32 ARG HA H 32 3.998 4.091 -0.093 1
1 213 . 10 1 1 A 32 32 ARG CA C 32 57.356 59.369 -2.013 1
1 214 . 10 1 1 A 32 32 ARG CB C 32 28.870 30.107 -1.237 1
1 215 . 10 1 1 A 32 32 ARG N N 32 117.523 120.182 -2.659 1
1 216 . 10 1 1 A 33 33 ALA H H 33 7.919 8.154 -0.235 1
1 217 . 10 1 1 A 33 33 ALA HA H 33 4.248 4.149 0.099 1
1 221 . 10 1 1 A 33 33 ALA CA C 33 55.007 54.773 0.234 1
1 222 . 10 1 1 A 33 33 ALA CB C 33 17.601 18.485 -0.884 1
1 223 . 10 1 1 A 33 33 ALA N N 33 119.982 121.144 -1.162 1
1 224 . 10 1 1 A 34 34 LYS H H 34 7.212 8.335 -1.123 1
1 225 . 10 1 1 A 34 34 LYS HA H 34 4.194 4.072 0.122 1
1 234 . 10 1 1 A 34 34 LYS CA C 34 58.852 59.104 -0.252 1
1 235 . 10 1 1 A 34 34 LYS CB C 34 31.598 32.191 -0.593 1
1 239 . 10 1 1 A 34 34 LYS N N 34 119.567 118.404 1.163 1
1 240 . 10 1 1 A 35 35 HIS H H 35 8.814 8.038 0.776 1
1 241 . 10 1 1 A 35 35 HIS HA H 35 4.923 4.319 0.604 1
1 244 . 10 1 1 A 35 35 HIS CA C 35 57.821 59.070 -1.249 1
1 245 . 10 1 1 A 35 35 HIS CB C 35 29.950 28.666 1.284 1
1 246 . 10 1 1 A 35 35 HIS N N 35 122.252 116.761 5.491 1
1 247 . 10 1 1 A 36 36 ASP H H 36 9.292 7.767 1.525 1
1 248 . 10 1 1 A 36 36 ASP HA H 36 4.454 4.017 0.437 1
1 251 . 10 1 1 A 36 36 ASP CA C 36 57.305 57.508 -0.203 1
1 252 . 10 1 1 A 36 36 ASP CB C 36 39.889 41.279 -1.390 1
1 253 . 10 1 1 A 36 36 ASP N N 36 118.831 122.121 -3.290 1
1 254 . 10 1 1 A 37 37 GLN H H 37 7.673 7.901 -0.228 1
1 255 . 10 1 1 A 37 37 GLN HA H 37 4.241 4.184 0.057 1
1 262 . 10 1 1 A 37 37 GLN CA C 37 59.019 59.010 0.009 1
1 263 . 10 1 1 A 37 37 GLN CB C 37 28.315 28.298 0.017 1
1 265 . 10 1 1 A 37 37 GLN N N 37 120.072 117.609 2.463 1
1 266 . 10 1 1 A 38 38 GLN H H 38 8.329 8.173 0.156 1
1 267 . 10 1 1 A 38 38 GLN HA H 38 4.040 4.298 -0.258 1
1 274 . 10 1 1 A 38 38 GLN CA C 38 58.734 59.162 -0.428 1
1 275 . 10 1 1 A 38 38 GLN CB C 38 28.549 28.553 -0.004 1
1 277 . 10 1 1 A 38 38 GLN N N 38 120.847 121.263 -0.416 1
1 279 . 10 1 1 A 39 39 PHE H H 39 9.453 8.501 0.952 1
1 280 . 10 1 1 A 39 39 PHE HA H 39 2.811 3.739 -0.928 1
1 286 . 10 1 1 A 39 39 PHE CA C 39 61.602 61.027 0.575 1
1 287 . 10 1 1 A 39 39 PHE CB C 39 38.799 38.855 -0.056 1
1 291 . 10 1 1 A 39 39 PHE N N 39 123.507 122.811 0.696 1
1 292 . 10 1 1 A 40 40 HIS H H 40 8.096 8.368 -0.272 1
1 293 . 10 1 1 A 40 40 HIS HA H 40 3.884 3.933 -0.049 1
1 297 . 10 1 1 A 40 40 HIS CA C 40 59.910 59.899 0.011 1
1 298 . 10 1 1 A 40 40 HIS CB C 40 29.558 29.515 0.043 1
1 300 . 10 1 1 A 40 40 HIS N N 40 114.319 118.732 -4.413 1
1 301 . 10 1 1 A 41 41 SER H H 41 7.818 8.142 -0.324 1
1 302 . 10 1 1 A 41 41 SER HA H 41 4.300 4.349 -0.049 1
1 305 . 10 1 1 A 41 41 SER CA C 41 60.851 60.930 -0.079 1
1 306 . 10 1 1 A 41 41 SER CB C 41 62.612 63.231 -0.619 1
1 307 . 10 1 1 A 41 41 SER N N 41 116.677 114.104 2.573 1
1 308 . 10 1 1 A 42 42 LEU H H 42 7.079 7.424 -0.345 1
1 309 . 10 1 1 A 42 42 LEU HA H 42 4.071 4.094 -0.023 1
1 319 . 10 1 1 A 42 42 LEU CA C 42 54.685 56.653 -1.968 1
1 320 . 10 1 1 A 42 42 LEU CB C 42 40.874 42.438 -1.564 1
1 324 . 10 1 1 A 42 42 LEU N N 42 121.868 123.062 -1.194 1
1 325 . 10 1 1 A 43 43 LYS H H 43 7.345 7.313 0.032 1
1 326 . 10 1 1 A 43 43 LYS HA H 43 3.877 3.757 0.120 1
1 335 . 10 1 1 A 43 43 LYS CA C 43 56.035 56.630 -0.595 1
1 336 . 10 1 1 A 43 43 LYS CB C 43 28.886 30.296 -1.410 1
1 340 . 10 1 1 A 43 43 LYS N N 43 110.393 117.493 -7.100 1
1 341 . 10 1 1 A 44 44 PRO HA H 44 4.239 4.323 -0.084 1
1 348 . 10 1 1 A 44 44 PRO CA C 44 62.424 62.745 -0.321 1
1 349 . 10 1 1 A 44 44 PRO CB C 44 32.413 31.645 0.768 1
1 352 . 10 1 1 A 45 45 ILE H H 45 8.586 8.094 0.492 1
1 353 . 10 1 1 A 45 45 ILE HA H 45 4.337 3.916 0.421 1
1 363 . 10 1 1 A 45 45 ILE CA C 45 60.170 63.384 -3.214 1
1 364 . 10 1 1 A 45 45 ILE CB C 45 39.143 38.106 1.037 1
1 368 . 10 1 1 A 45 45 ILE N N 45 120.985 121.977 -0.992 1
1 369 . 10 1 1 A 46 46 SER H H 46 9.512 7.927 1.585 1
1 370 . 10 1 1 A 46 46 SER HA H 46 4.055 4.498 -0.443 1
1 373 . 10 1 1 A 46 46 SER CA C 46 58.483 57.739 0.744 1
1 374 . 10 1 1 A 46 46 SER CB C 46 62.174 63.690 -1.516 1
1 375 . 10 1 1 A 46 46 SER N N 46 124.158 110.590 13.568 1
1 376 . 10 1 1 A 47 47 GLY H H 47 8.555 8.589 -0.034 1
1 377 . 10 1 1 A 47 47 GLY HA2 H 47 4.020 3.554 0.466 1
1 378 . 10 1 1 A 47 47 GLY HA3 H 47 3.531 3.692 -0.161 1
1 379 . 10 1 1 A 47 47 GLY CA C 47 44.328 45.191 -0.863 1
1 380 . 10 1 1 A 47 47 GLY N N 47 162.194 109.782 52.412 1
1 381 . 10 1 1 A 48 48 PHE H H 48 7.710 7.973 -0.263 1
1 382 . 10 1 1 A 48 48 PHE HA H 48 5.783 5.282 0.501 1
1 387 . 10 1 1 A 48 48 PHE CA C 48 56.732 56.660 0.072 1
1 388 . 10 1 1 A 48 48 PHE CB C 48 43.784 43.441 0.343 1
1 391 . 10 1 1 A 48 48 PHE N N 48 115.641 118.278 -2.637 1
1 392 . 10 1 1 A 49 49 ILE H H 49 9.141 9.014 0.127 1
1 393 . 10 1 1 A 49 49 ILE HA H 49 4.908 5.133 -0.225 1
1 403 . 10 1 1 A 49 49 ILE CA C 49 59.368 59.234 0.134 1
1 404 . 10 1 1 A 49 49 ILE CB C 49 39.945 42.477 -2.532 1
1 408 . 10 1 1 A 49 49 ILE N N 49 114.692 117.288 -2.596 1
1 409 . 10 1 1 A 50 50 THR H H 50 8.700 8.502 0.198 1
1 410 . 10 1 1 A 50 50 THR HA H 50 4.473 4.766 -0.293 1
1 415 . 10 1 1 A 50 50 THR CA C 50 60.914 59.792 1.122 1
1 416 . 10 1 1 A 50 50 THR CB C 50 70.829 70.910 -0.081 1
1 418 . 10 1 1 A 50 50 THR N N 50 112.658 115.189 -2.531 1
1 419 . 10 1 1 A 51 51 GLY H H 51 8.778 9.132 -0.354 1
1 420 . 10 1 1 A 51 51 GLY HA2 H 51 3.790 3.598 0.192 1
1 421 . 10 1 1 A 51 51 GLY HA3 H 51 3.713 3.721 -0.008 1
1 422 . 10 1 1 A 51 51 GLY CA C 51 48.310 47.383 0.927 1
1 423 . 10 1 1 A 51 51 GLY N N 51 108.204 113.237 -5.033 1
1 424 . 10 1 1 A 52 52 ASP H H 52 8.225 8.348 -0.123 1
1 425 . 10 1 1 A 52 52 ASP HA H 52 4.216 4.228 -0.012 1
1 428 . 10 1 1 A 52 52 ASP CA C 52 57.344 57.298 0.046 1
1 429 . 10 1 1 A 52 52 ASP CB C 52 40.304 41.703 -1.399 1
1 430 . 10 1 1 A 52 52 ASP N N 52 119.404 121.566 -2.162 1
1 431 . 10 1 1 A 53 53 GLN H H 53 7.810 7.841 -0.031 1
1 432 . 10 1 1 A 53 53 GLN HA H 53 3.969 4.096 -0.127 1
1 439 . 10 1 1 A 53 53 GLN CA C 53 58.673 58.641 0.032 1
1 440 . 10 1 1 A 53 53 GLN CB C 53 29.794 28.371 1.423 1
1 442 . 10 1 1 A 53 53 GLN N N 53 118.935 118.350 0.585 1
1 444 . 10 1 1 A 54 54 ALA H H 54 8.293 8.324 -0.031 1
1 445 . 10 1 1 A 54 54 ALA HA H 54 3.642 4.179 -0.537 1
1 449 . 10 1 1 A 54 54 ALA CA C 54 55.243 55.151 0.092 1
1 450 . 10 1 1 A 54 54 ALA CB C 54 19.448 17.746 1.702 1
1 451 . 10 1 1 A 54 54 ALA N N 54 120.858 122.855 -1.997 1
1 452 . 10 1 1 A 55 55 ARG H H 55 8.744 8.154 0.590 1
1 453 . 10 1 1 A 55 55 ARG HA H 55 3.795 3.802 -0.007 1
1 460 . 10 1 1 A 55 55 ARG CA C 55 60.628 59.321 1.307 1
1 461 . 10 1 1 A 55 55 ARG CB C 55 30.224 29.767 0.457 1
1 464 . 10 1 1 A 55 55 ARG N N 55 115.211 118.370 -3.159 1
1 465 . 10 1 1 A 56 56 ASN H H 56 8.056 7.931 0.125 1
1 466 . 10 1 1 A 56 56 ASN HA H 56 4.470 4.536 -0.066 1
1 471 . 10 1 1 A 56 56 ASN CA C 56 56.091 55.921 0.170 1
1 472 . 10 1 1 A 56 56 ASN CB C 56 38.069 38.810 -0.741 1
1 473 . 10 1 1 A 56 56 ASN N N 56 116.543 117.828 -1.285 1
1 475 . 10 1 1 A 57 57 PHE H H 57 7.567 8.452 -0.885 1
1 476 . 10 1 1 A 57 57 PHE HA H 57 4.517 4.397 0.120 1
1 481 . 10 1 1 A 57 57 PHE CA C 57 61.373 61.517 -0.144 1
1 482 . 10 1 1 A 57 57 PHE CB C 57 39.518 38.785 0.733 1
1 485 . 10 1 1 A 57 57 PHE N N 57 121.111 121.572 -0.461 1
1 486 . 10 1 1 A 58 58 PHE H H 58 8.995 9.199 -0.204 1
1 487 . 10 1 1 A 58 58 PHE HA H 58 4.501 4.307 0.194 1
1 491 . 10 1 1 A 58 58 PHE CA C 58 57.190 61.406 -4.216 1
1 492 . 10 1 1 A 58 58 PHE CB C 58 37.236 38.452 -1.216 1
1 494 . 10 1 1 A 58 58 PHE N N 58 119.594 118.308 1.286 1
1 495 . 10 1 1 A 59 59 PHE H H 59 8.510 8.056 0.454 1
1 496 . 10 1 1 A 59 59 PHE HA H 59 4.296 4.201 0.095 1
1 500 . 10 1 1 A 59 59 PHE CA C 59 60.456 61.085 -0.629 1
1 501 . 10 1 1 A 59 59 PHE CB C 59 38.914 38.957 -0.043 1
1 503 . 10 1 1 A 59 59 PHE N N 59 120.834 119.363 1.471 1
1 504 . 10 1 1 A 60 60 GLN H H 60 7.652 8.555 -0.903 1
1 505 . 10 1 1 A 60 60 GLN HA H 60 4.056 4.063 -0.007 1
1 512 . 10 1 1 A 60 60 GLN CA C 60 57.133 58.341 -1.208 1
1 513 . 10 1 1 A 60 60 GLN CB C 60 27.771 28.555 -0.784 1
1 515 . 10 1 1 A 60 60 GLN N N 60 116.464 118.305 -1.841 1
1 517 . 10 1 1 A 61 61 SER H H 61 7.823 7.233 0.590 1
1 518 . 10 1 1 A 61 61 SER HA H 61 3.985 4.231 -0.246 1
1 521 . 10 1 1 A 61 61 SER CA C 61 60.571 58.492 2.079 1
1 522 . 10 1 1 A 61 61 SER CB C 61 65.277 63.127 2.150 1
1 523 . 10 1 1 A 61 61 SER N N 61 113.448 111.916 1.532 1
1 524 . 10 1 1 A 62 62 GLY H H 62 7.478 7.822 -0.344 1
1 525 . 10 1 1 A 62 62 GLY HA2 H 62 4.115 3.812 0.303 1
1 526 . 10 1 1 A 62 62 GLY HA3 H 62 3.699 3.889 -0.190 1
1 527 . 10 1 1 A 62 62 GLY CA C 62 45.445 45.215 0.230 1
1 528 . 10 1 1 A 62 62 GLY N N 62 108.189 108.822 -0.633 1
1 529 . 10 1 1 A 63 63 LEU H H 63 7.282 7.795 -0.513 1
1 530 . 10 1 1 A 63 63 LEU HA H 63 4.471 4.684 -0.213 1
1 540 . 10 1 1 A 63 63 LEU CA C 63 52.971 51.426 1.545 1
1 541 . 10 1 1 A 63 63 LEU CB C 63 41.597 43.623 -2.026 1
1 545 . 10 1 1 A 63 63 LEU N N 63 120.356 121.467 -1.111 1
1 546 . 10 1 1 A 64 64 PRO HA H 64 4.559 4.641 -0.082 1
1 553 . 10 1 1 A 64 64 PRO CA C 64 63.039 62.818 0.221 1
1 554 . 10 1 1 A 64 64 PRO CB C 64 33.402 32.806 0.596 1
1 557 . 10 1 1 A 65 65 GLN H H 65 9.289 9.175 0.114 1
1 558 . 10 1 1 A 65 65 GLN HA H 65 4.194 4.265 -0.071 1
1 563 . 10 1 1 A 65 65 GLN CA C 65 61.180 60.611 0.569 1
1 564 . 10 1 1 A 65 65 GLN CB C 65 25.845 27.139 -1.294 1
1 566 . 10 1 1 A 65 65 GLN N N 65 122.729 123.785 -1.056 1
1 567 . 10 1 1 A 66 66 PRO HA H 66 4.399 4.475 -0.076 1
1 574 . 10 1 1 A 66 66 PRO CA C 66 65.956 65.378 0.578 1
1 575 . 10 1 1 A 66 66 PRO CB C 66 30.665 31.272 -0.607 1
1 578 . 10 1 1 A 67 67 VAL H H 67 6.875 7.023 -0.148 1
1 579 . 10 1 1 A 67 67 VAL HA H 67 3.930 3.924 0.006 1
1 587 . 10 1 1 A 67 67 VAL CA C 67 64.811 65.305 -0.494 1
1 588 . 10 1 1 A 67 67 VAL CB C 67 31.581 31.652 -0.071 1
1 591 . 10 1 1 A 67 67 VAL N N 67 117.350 116.569 0.781 1
1 592 . 10 1 1 A 68 68 LEU H H 68 7.965 8.253 -0.288 1
1 593 . 10 1 1 A 68 68 LEU HA H 68 3.955 4.286 -0.331 1
1 603 . 10 1 1 A 68 68 LEU CA C 68 57.878 58.066 -0.188 1
1 604 . 10 1 1 A 68 68 LEU CB C 68 40.821 41.798 -0.977 1
1 608 . 10 1 1 A 68 68 LEU N N 68 119.980 120.126 -0.146 1
1 609 . 10 1 1 A 69 69 ALA H H 69 8.577 8.837 -0.260 1
1 610 . 10 1 1 A 69 69 ALA HA H 69 4.375 4.204 0.171 1
1 614 . 10 1 1 A 69 69 ALA CA C 69 55.128 55.457 -0.329 1
1 615 . 10 1 1 A 69 69 ALA CB C 69 17.533 18.297 -0.764 1
1 616 . 10 1 1 A 69 69 ALA N N 69 122.731 121.082 1.649 1
1 617 . 10 1 1 A 70 70 GLN H H 70 7.534 7.996 -0.462 1
1 618 . 10 1 1 A 70 70 GLN HA H 70 4.190 4.142 0.048 1
1 625 . 10 1 1 A 70 70 GLN CA C 70 58.623 59.088 -0.465 1
1 626 . 10 1 1 A 70 70 GLN CB C 70 28.349 28.872 -0.523 1
1 628 . 10 1 1 A 70 70 GLN N N 70 120.846 117.729 3.117 1
1 630 . 10 1 1 A 71 71 ILE H H 71 8.170 7.879 0.291 1
1 631 . 10 1 1 A 71 71 ILE HA H 71 3.455 3.872 -0.417 1
1 641 . 10 1 1 A 71 71 ILE CA C 71 66.530 65.308 1.222 1
1 642 . 10 1 1 A 71 71 ILE CB C 71 37.768 37.980 -0.212 1
1 646 . 10 1 1 A 71 71 ILE N N 71 120.351 119.940 0.411 1
1 647 . 10 1 1 A 72 72 TRP H H 72 8.473 8.673 -0.200 1
1 648 . 10 1 1 A 72 72 TRP HA H 72 3.845 4.350 -0.505 1
1 657 . 10 1 1 A 72 72 TRP CA C 72 61.144 61.321 -0.177 1
1 658 . 10 1 1 A 72 72 TRP CB C 72 28.496 29.158 -0.662 1
1 664 . 10 1 1 A 72 72 TRP N N 72 119.417 121.585 -2.168 1
1 666 . 10 1 1 A 73 73 ALA H H 73 7.647 8.464 -0.817 1
1 667 . 10 1 1 A 73 73 ALA HA H 73 4.012 3.831 0.181 1
1 671 . 10 1 1 A 73 73 ALA CA C 73 54.154 55.074 -0.920 1
1 672 . 10 1 1 A 73 73 ALA CB C 73 18.059 18.191 -0.132 1
1 673 . 10 1 1 A 73 73 ALA N N 73 116.148 121.609 -5.461 1
1 674 . 10 1 1 A 74 74 LEU H H 74 7.493 7.536 -0.043 1
1 675 . 10 1 1 A 74 74 LEU HA H 74 3.947 4.092 -0.145 1
1 685 . 10 1 1 A 74 74 LEU CA C 74 56.478 57.571 -1.093 1
1 686 . 10 1 1 A 74 74 LEU CB C 74 43.726 41.523 2.203 1
1 690 . 10 1 1 A 74 74 LEU N N 74 115.647 120.016 -4.369 1
1 691 . 10 1 1 A 75 75 ALA H H 75 7.952 8.071 -0.119 1
1 692 . 10 1 1 A 75 75 ALA HA H 75 4.019 4.211 -0.192 1
1 696 . 10 1 1 A 75 75 ALA CA C 75 53.982 55.404 -1.422 1
1 697 . 10 1 1 A 75 75 ALA CB C 75 19.913 18.930 0.983 1
1 698 . 10 1 1 A 75 75 ALA N N 75 118.000 120.739 -2.739 1
1 699 . 10 1 1 A 76 76 ASP H H 76 7.798 7.976 -0.178 1
1 700 . 10 1 1 A 76 76 ASP HA H 76 4.587 4.690 -0.103 1
1 703 . 10 1 1 A 76 76 ASP CA C 76 51.849 53.601 -1.752 1
1 704 . 10 1 1 A 76 76 ASP CB C 76 36.265 39.948 -3.683 1
1 705 . 10 1 1 A 76 76 ASP N N 76 114.297 114.951 -0.654 1
1 706 . 10 1 1 A 77 77 MET H H 77 8.077 8.223 -0.146 1
1 707 . 10 1 1 A 77 77 MET HA H 77 3.867 4.112 -0.245 1
1 715 . 10 1 1 A 77 77 MET CA C 77 59.024 58.503 0.521 1
1 716 . 10 1 1 A 77 77 MET CB C 77 34.550 31.949 2.601 1
1 719 . 10 1 1 A 77 77 MET N N 77 123.959 124.773 -0.814 1
1 720 . 10 1 1 A 78 78 ASN H H 78 7.801 8.029 -0.228 1
1 721 . 10 1 1 A 78 78 ASN HA H 78 4.839 4.671 0.168 1
1 726 . 10 1 1 A 78 78 ASN CA C 78 50.889 52.731 -1.842 1
1 727 . 10 1 1 A 78 78 ASN CB C 78 37.028 38.218 -1.190 1
1 728 . 10 1 1 A 78 78 ASN N N 78 112.247 114.303 -2.056 1
1 730 . 10 1 1 A 79 79 ASN H H 79 8.019 8.278 -0.259 1
1 731 . 10 1 1 A 79 79 ASN HA H 79 4.380 4.333 0.047 1
1 736 . 10 1 1 A 79 79 ASN CA C 79 54.319 53.892 0.427 1
1 737 . 10 1 1 A 79 79 ASN CB C 79 37.867 36.795 1.072 1
1 738 . 10 1 1 A 79 79 ASN N N 79 116.050 117.326 -1.276 1
1 740 . 10 1 1 A 80 80 ASP H H 80 8.019 8.357 -0.338 1
1 741 . 10 1 1 A 80 80 ASP HA H 80 4.784 4.630 0.154 1
1 744 . 10 1 1 A 80 80 ASP CA C 80 52.672 53.307 -0.635 1
1 745 . 10 1 1 A 80 80 ASP CB C 80 41.585 40.991 0.594 1
1 746 . 10 1 1 A 80 80 ASP N N 80 115.620 119.234 -3.614 1
1 747 . 10 1 1 A 81 81 GLY H H 81 10.345 7.863 2.482 1
1 748 . 10 1 1 A 81 81 GLY HA2 H 81 4.339 4.121 0.218 1
1 749 . 10 1 1 A 81 81 GLY HA3 H 81 4.044 4.231 -0.187 1
1 750 . 10 1 1 A 81 81 GLY CA C 81 46.560 45.860 0.700 1
1 751 . 10 1 1 A 81 81 GLY N N 81 112.191 108.073 4.118 1
1 752 . 10 1 1 A 82 82 ARG H H 82 8.365 8.523 -0.158 1
1 753 . 10 1 1 A 82 82 ARG HA H 82 5.105 4.539 0.566 1
1 760 . 10 1 1 A 82 82 ARG CA C 82 53.982 56.044 -2.062 1
1 761 . 10 1 1 A 82 82 ARG CB C 82 33.303 32.602 0.701 1
1 764 . 10 1 1 A 82 82 ARG N N 82 117.518 118.646 -1.128 1
1 765 . 10 1 1 A 83 83 MET H H 83 9.038 8.505 0.533 1
1 766 . 10 1 1 A 83 83 MET HA H 83 6.142 4.613 1.529 1
1 774 . 10 1 1 A 83 83 MET CA C 83 55.586 56.946 -1.360 1
1 775 . 10 1 1 A 83 83 MET CB C 83 38.610 31.828 6.782 1
1 778 . 10 1 1 A 83 83 MET N N 83 120.510 116.920 3.590 1
1 779 . 10 1 1 A 84 84 ASP H H 84 7.586 8.640 -1.054 1
1 780 . 10 1 1 A 84 84 ASP HA H 84 5.259 4.897 0.362 1
1 783 . 10 1 1 A 84 84 ASP CA C 84 51.182 52.491 -1.309 1
1 784 . 10 1 1 A 84 84 ASP CB C 84 42.047 43.321 -1.274 1
1 785 . 10 1 1 A 84 84 ASP N N 84 122.321 123.816 -1.495 1
1 786 . 10 1 1 A 85 85 GLN H H 85 7.988 8.595 -0.607 1
1 787 . 10 1 1 A 85 85 GLN HA H 85 2.609 3.841 -1.232 1
1 794 . 10 1 1 A 85 85 GLN CA C 85 58.909 58.541 0.368 1
1 795 . 10 1 1 A 85 85 GLN CB C 85 29.346 27.868 1.478 1
1 797 . 10 1 1 A 85 85 GLN N N 85 115.617 123.072 -7.455 1
1 799 . 10 1 1 A 86 86 VAL H H 86 7.357 8.106 -0.749 1
1 800 . 10 1 1 A 86 86 VAL HA H 86 3.557 3.441 0.116 1
1 808 . 10 1 1 A 86 86 VAL CA C 86 66.117 66.702 -0.585 1
1 809 . 10 1 1 A 86 86 VAL CB C 86 31.538 31.698 -0.160 1
1 812 . 10 1 1 A 86 86 VAL N N 86 120.551 120.873 -0.322 1
1 813 . 10 1 1 A 87 87 GLU H H 87 8.375 8.144 0.231 1
1 814 . 10 1 1 A 87 87 GLU HA H 87 3.908 4.145 -0.237 1
1 819 . 10 1 1 A 87 87 GLU CA C 87 59.424 59.490 -0.066 1
1 820 . 10 1 1 A 87 87 GLU CB C 87 31.466 29.499 1.967 1
1 822 . 10 1 1 A 87 87 GLU N N 87 119.417 119.199 0.218 1
1 823 . 10 1 1 A 88 88 PHE H H 88 8.482 8.734 -0.252 1
1 824 . 10 1 1 A 88 88 PHE HA H 88 4.427 4.252 0.175 1
1 828 . 10 1 1 A 88 88 PHE CA C 88 62.061 61.201 0.860 1
1 829 . 10 1 1 A 88 88 PHE CB C 88 40.726 39.091 1.635 1
1 831 . 10 1 1 A 88 88 PHE N N 88 117.094 122.551 -5.457 1
1 832 . 10 1 1 A 89 89 SER H H 89 7.490 8.047 -0.557 1
1 833 . 10 1 1 A 89 89 SER HA H 89 4.763 4.144 0.619 1
1 836 . 10 1 1 A 89 89 SER CA C 89 59.783 60.901 -1.118 1
1 837 . 10 1 1 A 89 89 SER CB C 89 59.544 63.096 -3.552 1
1 838 . 10 1 1 A 89 89 SER N N 89 113.424 113.440 -0.016 1
1 839 . 10 1 1 A 90 90 ILE H H 90 8.034 7.801 0.233 1
1 840 . 10 1 1 A 90 90 ILE HA H 90 3.506 4.106 -0.600 1
1 850 . 10 1 1 A 90 90 ILE CA C 90 66.098 63.105 2.993 1
1 851 . 10 1 1 A 90 90 ILE CB C 90 37.905 38.968 -1.063 1
1 855 . 10 1 1 A 90 90 ILE N N 90 118.472 121.297 -2.825 1
1 856 . 10 1 1 A 91 91 ALA H H 91 8.197 7.840 0.357 1
1 857 . 10 1 1 A 91 91 ALA HA H 91 4.286 4.105 0.181 1
1 861 . 10 1 1 A 91 91 ALA CA C 91 52.435 55.315 -2.880 1
1 862 . 10 1 1 A 91 91 ALA CB C 91 19.091 17.961 1.130 1
1 863 . 10 1 1 A 91 91 ALA N N 91 119.275 124.449 -5.174 1
1 864 . 10 1 1 A 92 92 MET H H 92 8.183 8.057 0.126 1
1 865 . 10 1 1 A 92 92 MET HA H 92 4.268 3.909 0.359 1
1 870 . 10 1 1 A 92 92 MET CA C 92 55.643 57.676 -2.033 1
1 871 . 10 1 1 A 92 92 MET CB C 92 29.521 32.235 -2.714 1
1 873 . 10 1 1 A 92 92 MET N N 92 118.681 115.702 2.979 1
1 874 . 10 1 1 A 93 93 LYS H H 93 8.172 7.815 0.357 1
1 875 . 10 1 1 A 93 93 LYS HA H 93 4.006 4.087 -0.081 1
1 878 . 10 1 1 A 93 93 LYS CA C 93 56.840 59.200 -2.360 1
1 879 . 10 1 1 A 93 93 LYS CB C 93 32.830 32.331 0.499 1
1 880 . 10 1 1 A 93 93 LYS N N 93 120.362 119.881 0.481 1
1 881 . 10 1 1 A 94 94 LEU H H 94 8.017 7.916 0.101 1
1 882 . 10 1 1 A 94 94 LEU HA H 94 3.884 4.178 -0.294 1
1 892 . 10 1 1 A 94 94 LEU CA C 94 58.234 58.042 0.192 1
1 893 . 10 1 1 A 94 94 LEU CB C 94 42.050 41.729 0.321 1
1 897 . 10 1 1 A 94 94 LEU N N 94 114.192 120.287 -6.095 1
1 898 . 10 1 1 A 95 95 ILE H H 95 8.377 8.018 0.359 1
1 899 . 10 1 1 A 95 95 ILE HA H 95 3.254 3.410 -0.156 1
1 909 . 10 1 1 A 95 95 ILE CA C 95 66.013 66.144 -0.131 1
1 910 . 10 1 1 A 95 95 ILE CB C 95 38.284 37.719 0.565 1
1 914 . 10 1 1 A 95 95 ILE N N 95 118.949 119.632 -0.683 1
1 915 . 10 1 1 A 96 96 LYS H H 96 7.751 7.910 -0.159 1
1 916 . 10 1 1 A 96 96 LYS HA H 96 3.928 4.058 -0.130 1
1 925 . 10 1 1 A 96 96 LYS CA C 96 59.701 60.041 -0.340 1
1 926 . 10 1 1 A 96 96 LYS CB C 96 32.286 31.913 0.373 1
1 930 . 10 1 1 A 96 96 LYS N N 96 119.637 121.006 -1.369 1
1 931 . 10 1 1 A 97 97 LEU H H 97 8.382 8.176 0.206 1
1 932 . 10 1 1 A 97 97 LEU HA H 97 4.006 4.332 -0.326 1
1 942 . 10 1 1 A 97 97 LEU CA C 97 57.363 57.957 -0.594 1
1 943 . 10 1 1 A 97 97 LEU CB C 97 40.459 41.225 -0.766 1
1 947 . 10 1 1 A 97 97 LEU N N 97 117.727 119.723 -1.996 1
1 948 . 10 1 1 A 98 98 LYS H H 98 8.761 8.439 0.322 1
1 949 . 10 1 1 A 98 98 LYS HA H 98 4.548 4.178 0.370 1
1 958 . 10 1 1 A 98 98 LYS CA C 98 57.477 59.164 -1.687 1
1 959 . 10 1 1 A 98 98 LYS CB C 98 31.294 31.930 -0.636 1
1 963 . 10 1 1 A 98 98 LYS N N 98 122.255 118.703 3.552 1
1 964 . 10 1 1 A 99 99 LEU H H 99 8.798 8.268 0.530 1
1 965 . 10 1 1 A 99 99 LEU HA H 99 4.100 3.937 0.163 1
1 975 . 10 1 1 A 99 99 LEU CA C 99 57.878 57.786 0.092 1
1 976 . 10 1 1 A 99 99 LEU CB C 99 41.605 40.781 0.824 1
1 980 . 10 1 1 A 99 99 LEU N N 99 122.214 120.416 1.798 1
1 981 . 10 1 1 A 100 100 GLN H H 100 7.749 7.351 0.398 1
1 982 . 10 1 1 A 100 100 GLN HA H 100 4.285 4.232 0.053 1
1 989 . 10 1 1 A 100 100 GLN CA C 100 56.503 55.833 0.670 1
1 990 . 10 1 1 A 100 100 GLN CB C 100 29.576 29.037 0.539 1
1 992 . 10 1 1 A 100 100 GLN N N 100 116.914 116.016 0.898 1
1 993 . 10 1 1 A 101 101 GLY H H 101 7.910 7.663 0.247 1
1 994 . 10 1 1 A 101 101 GLY HA2 H 101 4.262 3.769 0.493 1
1 995 . 10 1 1 A 101 101 GLY HA3 H 101 3.661 3.881 -0.220 1
1 996 . 10 1 1 A 101 101 GLY CA C 101 44.884 45.682 -0.798 1
1 997 . 10 1 1 A 101 101 GLY N N 101 106.044 107.295 -1.251 1
1 998 . 10 1 1 A 102 102 TYR H H 102 8.078 7.914 0.164 1
1 999 . 10 1 1 A 102 102 TYR HA H 102 4.311 5.116 -0.805 1
1 1006 . 10 1 1 A 102 102 TYR CA C 102 59.253 56.754 2.499 1
1 1007 . 10 1 1 A 102 102 TYR CB C 102 37.849 43.194 -5.345 1
1 1010 . 10 1 1 A 102 102 TYR N N 102 120.876 118.702 2.174 1
1 1011 . 10 1 1 A 103 103 GLN H H 103 8.610 8.914 -0.304 1
1 1012 . 10 1 1 A 103 103 GLN HA H 103 4.280 5.372 -1.092 1
1 1015 . 10 1 1 A 103 103 GLN CA C 103 56.620 54.460 2.160 1
1 1016 . 10 1 1 A 103 103 GLN CB C 103 29.100 32.502 -3.402 1
1 1017 . 10 1 1 A 103 103 GLN N N 103 119.785 121.779 -1.994 1
1 1018 . 10 1 1 A 105 105 PRO HA H 105 4.631 4.789 -0.158 1
1 1025 . 10 1 1 A 105 105 PRO CA C 105 61.602 62.087 -0.485 1
1 1026 . 10 1 1 A 105 105 PRO CB C 105 31.690 33.183 -1.493 1
1 1029 . 10 1 1 A 106 106 SER H H 106 8.485 8.736 -0.251 1
1 1030 . 10 1 1 A 106 106 SER HA H 106 4.183 4.328 -0.145 1
1 1033 . 10 1 1 A 106 106 SER CA C 106 59.525 59.765 -0.240 1
1 1034 . 10 1 1 A 106 106 SER CB C 106 63.078 63.306 -0.228 1
1 1035 . 10 1 1 A 106 106 SER N N 106 112.361 116.265 -3.904 1
1 1036 . 10 1 1 A 107 107 ALA H H 107 7.410 7.430 -0.020 1
1 1037 . 10 1 1 A 107 107 ALA HA H 107 4.308 4.337 -0.029 1
1 1041 . 10 1 1 A 107 107 ALA CA C 107 50.086 51.599 -1.513 1
1 1042 . 10 1 1 A 107 107 ALA CB C 107 21.253 17.962 3.291 1
1 1043 . 10 1 1 A 107 107 ALA N N 107 121.311 124.511 -3.200 1
1 1044 . 10 1 1 A 108 108 LEU H H 108 8.915 8.444 0.471 1
1 1045 . 10 1 1 A 108 108 LEU HA H 108 4.020 4.426 -0.406 1
1 1055 . 10 1 1 A 108 108 LEU CA C 108 52.990 52.485 0.505 1
1 1056 . 10 1 1 A 108 108 LEU CB C 108 42.041 43.006 -0.965 1
1 1060 . 10 1 1 A 108 108 LEU N N 108 122.607 126.287 -3.680 1
1 1061 . 10 1 1 A 110 110 PRO HA H 110 4.024 4.434 -0.410 1
1 1068 . 10 1 1 A 110 110 PRO CA C 110 65.440 64.264 1.176 1
1 1069 . 10 1 1 A 110 110 PRO CB C 110 31.638 32.013 -0.375 1
1 1072 . 10 1 1 A 111 111 VAL H H 111 8.118 7.233 0.885 1
1 1073 . 10 1 1 A 111 111 VAL HA H 111 3.986 3.843 0.143 1
1 1081 . 10 1 1 A 111 111 VAL CA C 111 63.779 65.527 -1.748 1
1 1082 . 10 1 1 A 111 111 VAL CB C 111 31.065 31.479 -0.414 1
1 1085 . 10 1 1 A 111 111 VAL N N 111 115.605 116.512 -0.907 1
1 1086 . 10 1 1 A 112 112 MET H H 112 7.908 8.114 -0.206 1
1 1087 . 10 1 1 A 112 112 MET HA H 112 4.160 4.093 0.067 1
1 1095 . 10 1 1 A 112 112 MET CA C 112 59.098 58.848 0.250 1
1 1096 . 10 1 1 A 112 112 MET CB C 112 34.024 32.662 1.362 1
1 1099 . 10 1 1 A 112 112 MET N N 112 118.943 117.510 1.433 1
1 1100 . 10 1 1 A 113 113 LYS H H 113 7.330 7.892 -0.562 1
1 1101 . 10 1 1 A 113 113 LYS HA H 113 4.182 4.218 -0.036 1
1 1110 . 10 1 1 A 113 113 LYS CA C 113 55.987 56.702 -0.715 1
1 1111 . 10 1 1 A 113 113 LYS CB C 113 32.841 32.288 0.553 1
1 1115 . 10 1 1 A 113 113 LYS N N 113 112.617 115.897 -3.280 1
1 1116 . 10 1 1 A 114 114 GLN H H 114 7.114 7.801 -0.687 1
1 1117 . 10 1 1 A 114 114 GLN HA H 114 4.309 3.887 0.422 1
1 1124 . 10 1 1 A 114 114 GLN CA C 114 54.956 57.829 -2.873 1
1 1125 . 10 1 1 A 114 114 GLN CB C 114 29.241 26.547 2.694 1
1 1127 . 10 1 1 A 114 114 GLN N N 114 117.852 113.790 4.062 1
1 1129 . 10 1 1 A 115 115 GLN H H 115 8.556 7.770 0.786 1
1 1130 . 10 1 1 A 115 115 GLN HA H 115 4.501 4.710 -0.209 1
1 1137 . 10 1 1 A 115 115 GLN CA C 115 53.858 52.872 0.986 1
1 1138 . 10 1 1 A 115 115 GLN CB C 115 28.234 30.909 -2.675 1
1 1140 . 10 1 1 A 115 115 GLN N N 115 123.195 119.759 3.436 1
1 1142 . 10 1 1 A 116 116 PRO HA H 116 4.530 4.794 -0.264 1
1 1149 . 10 1 1 A 116 116 PRO CA C 116 63.050 62.212 0.838 1
1 1150 . 10 1 1 A 116 116 PRO CB C 116 31.953 32.057 -0.104 1
1 1153 . 10 1 1 A 117 117 VAL H H 117 8.345 8.167 0.178 1
1 1154 . 10 1 1 A 117 117 VAL HA H 117 4.167 4.166 0.001 1
1 1162 . 10 1 1 A 117 117 VAL CA C 117 61.258 61.480 -0.222 1
1 1163 . 10 1 1 A 117 117 VAL CB C 117 33.724 31.628 2.096 1
1 1166 . 10 1 1 A 117 117 VAL N N 117 120.361 117.581 2.780 1
1 1167 . 10 1 1 A 118 118 ALA H H 118 8.470 8.596 -0.126 1
1 1168 . 10 1 1 A 118 118 ALA HA H 118 4.452 4.320 0.132 1
1 1172 . 10 1 1 A 118 118 ALA CA C 118 51.678 51.417 0.261 1
1 1173 . 10 1 1 A 118 118 ALA CB C 118 19.260 17.858 1.402 1
1 1174 . 10 1 1 A 118 118 ALA N N 118 128.412 129.859 -1.447 1
1 1175 . 10 1 1 A 119 119 ILE H H 119 8.250 8.251 -0.001 1
1 1176 . 10 1 1 A 119 119 ILE HA H 119 4.240 4.144 0.096 1
1 1186 . 10 1 1 A 119 119 ILE CA C 119 60.743 62.889 -2.146 1
1 1187 . 10 1 1 A 119 119 ILE CB C 119 38.914 38.731 0.183 1
1 1191 . 10 1 1 A 119 119 ILE N N 119 120.929 125.439 -4.510 1
1 1192 . 10 1 1 A 120 120 SER H H 120 8.413 8.043 0.370 1
1 1193 . 10 1 1 A 120 120 SER HA H 120 4.543 4.837 -0.294 1
1 1196 . 10 1 1 A 120 120 SER CA C 120 57.878 56.742 1.136 1
1 1197 . 10 1 1 A 120 120 SER CB C 120 63.951 64.127 -0.176 1
1 1198 . 10 1 1 A 120 120 SER N N 120 120.494 115.211 5.283 1
1 1 . 11 1 1 A 12 12 ALA H H 12 8.223 8.759 -0.536 1
1 2 . 11 1 1 A 12 12 ALA HA H 12 4.220 4.463 -0.243 1
1 6 . 11 1 1 A 12 12 ALA CA C 12 52.323 51.576 0.747 1
1 7 . 11 1 1 A 12 12 ALA CB C 12 19.015 17.741 1.274 1
1 8 . 11 1 1 A 12 12 ALA N N 12 124.624 127.794 -3.170 1
1 9 . 11 1 1 A 13 13 GLN H H 13 8.220 7.935 0.285 1
1 10 . 11 1 1 A 13 13 GLN HA H 13 4.292 4.435 -0.143 1
1 13 . 11 1 1 A 13 13 GLN CA C 13 55.457 55.092 0.365 1
1 14 . 11 1 1 A 13 13 GLN CB C 13 29.804 29.568 0.236 1
1 15 . 11 1 1 A 13 13 GLN N N 13 119.119 122.161 -3.042 1
1 16 . 11 1 1 A 14 14 PHE H H 14 8.109 7.776 0.333 1
1 17 . 11 1 1 A 14 14 PHE HA H 14 4.559 4.642 -0.083 1
1 20 . 11 1 1 A 14 14 PHE CA C 14 58.250 56.496 1.754 1
1 21 . 11 1 1 A 14 14 PHE CB C 14 39.950 39.211 0.739 1
1 22 . 11 1 1 A 14 14 PHE N N 14 121.712 119.952 1.760 1
1 23 . 11 1 1 A 15 15 PRO HA H 15 4.492 4.896 -0.404 1
1 30 . 11 1 1 A 15 15 PRO CA C 15 63.047 62.555 0.492 1
1 31 . 11 1 1 A 15 15 PRO CB C 15 31.810 31.836 -0.026 1
1 34 . 11 1 1 A 16 16 THR H H 16 8.197 8.417 -0.220 1
1 35 . 11 1 1 A 16 16 THR HA H 16 4.614 4.805 -0.191 1
1 40 . 11 1 1 A 16 16 THR CA C 16 59.526 59.376 0.150 1
1 41 . 11 1 1 A 16 16 THR CB C 16 69.603 69.910 -0.307 1
1 43 . 11 1 1 A 16 16 THR N N 16 115.700 113.354 2.346 1
1 44 . 11 1 1 A 17 17 PRO HA H 17 4.360 4.559 -0.199 1
1 51 . 11 1 1 A 17 17 PRO CA C 17 63.321 63.122 0.199 1
1 52 . 11 1 1 A 17 17 PRO CB C 17 31.680 31.824 -0.144 1
1 55 . 11 1 1 A 18 18 PHE H H 18 8.212 8.828 -0.616 1
1 56 . 11 1 1 A 18 18 PHE HA H 18 4.589 4.516 0.073 1
1 64 . 11 1 1 A 18 18 PHE CA C 18 57.648 57.783 -0.135 1
1 65 . 11 1 1 A 18 18 PHE CB C 18 39.165 39.781 -0.616 1
1 69 . 11 1 1 A 18 18 PHE N N 18 119.185 119.027 0.158 1
1 70 . 11 1 1 A 19 19 GLY H H 19 8.250 8.567 -0.317 1
1 71 . 11 1 1 A 19 19 GLY HA2 H 19 3.943 3.988 -0.045 1
1 72 . 11 1 1 A 19 19 GLY HA3 H 19 3.935 4.103 -0.168 1
1 73 . 11 1 1 A 19 19 GLY CA C 19 45.100 44.510 0.590 1
1 74 . 11 1 1 A 19 19 GLY N N 19 110.566 108.242 2.324 1
1 75 . 11 1 1 A 20 20 GLY H H 20 7.873 8.542 -0.669 1
1 76 . 11 1 1 A 20 20 GLY HA2 H 20 3.964 3.808 0.156 1
1 77 . 11 1 1 A 20 20 GLY HA3 H 20 3.955 3.818 0.137 1
1 78 . 11 1 1 A 20 20 GLY CA C 20 45.056 47.248 -2.192 1
1 79 . 11 1 1 A 20 20 GLY N N 20 108.171 109.193 -1.022 1
1 80 . 11 1 1 A 21 21 SER H H 21 8.274 8.408 -0.134 1
1 81 . 11 1 1 A 21 21 SER HA H 21 4.523 4.606 -0.083 1
1 84 . 11 1 1 A 21 21 SER CA C 21 57.951 57.849 0.102 1
1 85 . 11 1 1 A 21 21 SER CB C 21 63.946 63.471 0.475 1
1 86 . 11 1 1 A 21 21 SER N N 21 115.180 121.001 -5.821 1
1 87 . 11 1 1 A 22 22 LEU H H 22 8.435 7.956 0.479 1
1 88 . 11 1 1 A 22 22 LEU HA H 22 4.302 4.324 -0.022 1
1 98 . 11 1 1 A 22 22 LEU CA C 22 55.846 55.758 0.088 1
1 99 . 11 1 1 A 22 22 LEU CB C 22 42.229 40.826 1.403 1
1 103 . 11 1 1 A 22 22 LEU N N 22 123.998 120.106 3.892 1
1 104 . 11 1 1 A 23 23 ASP H H 23 8.291 8.832 -0.541 1
1 105 . 11 1 1 A 23 23 ASP HA H 23 4.494 4.748 -0.254 1
1 108 . 11 1 1 A 23 23 ASP CA C 23 54.981 54.024 0.957 1
1 109 . 11 1 1 A 23 23 ASP CB C 23 41.190 40.351 0.839 1
1 110 . 11 1 1 A 23 23 ASP N N 23 120.385 125.762 -5.377 1
1 111 . 11 1 1 A 24 24 THR H H 24 8.010 7.662 0.348 1
1 112 . 11 1 1 A 24 24 THR HA H 24 3.770 3.720 0.050 1
1 117 . 11 1 1 A 24 24 THR CA C 24 64.590 66.148 -1.558 1
1 118 . 11 1 1 A 24 24 THR CB C 24 69.620 68.295 1.325 1
1 120 . 11 1 1 A 24 24 THR N N 24 117.799 115.151 2.648 1
1 121 . 11 1 1 A 25 25 TRP H H 25 7.780 7.674 0.106 1
1 122 . 11 1 1 A 25 25 TRP HA H 25 4.012 4.775 -0.763 1
1 131 . 11 1 1 A 25 25 TRP CA C 25 57.837 56.908 0.929 1
1 132 . 11 1 1 A 25 25 TRP CB C 25 28.842 29.988 -1.146 1
1 138 . 11 1 1 A 25 25 TRP N N 25 118.659 117.774 0.885 1
1 140 . 11 1 1 A 26 26 ALA H H 26 7.101 7.512 -0.411 1
1 141 . 11 1 1 A 26 26 ALA HA H 26 3.949 4.605 -0.656 1
1 145 . 11 1 1 A 26 26 ALA CA C 26 52.102 50.777 1.325 1
1 146 . 11 1 1 A 26 26 ALA CB C 26 18.840 20.752 -1.912 1
1 147 . 11 1 1 A 26 26 ALA N N 26 117.054 122.254 -5.200 1
1 148 . 11 1 1 A 27 27 ILE H H 27 8.687 8.702 -0.015 1
1 149 . 11 1 1 A 27 27 ILE HA H 27 4.332 4.255 0.077 1
1 159 . 11 1 1 A 27 27 ILE CA C 27 61.430 61.185 0.245 1
1 160 . 11 1 1 A 27 27 ILE CB C 27 38.550 37.113 1.437 1
1 164 . 11 1 1 A 27 27 ILE N N 27 125.107 122.749 2.358 1
1 165 . 11 1 1 A 28 28 THR H H 28 8.981 8.674 0.307 1
1 166 . 11 1 1 A 28 28 THR HA H 28 4.760 4.263 0.497 1
1 171 . 11 1 1 A 28 28 THR CA C 28 60.685 60.510 0.175 1
1 172 . 11 1 1 A 28 28 THR CB C 28 71.252 70.439 0.813 1
1 174 . 11 1 1 A 28 28 THR N N 28 118.938 121.742 -2.804 1
1 175 . 11 1 1 A 29 29 VAL H H 29 8.612 8.615 -0.003 1
1 176 . 11 1 1 A 29 29 VAL HA H 29 3.532 3.546 -0.014 1
1 184 . 11 1 1 A 29 29 VAL CA C 29 66.349 66.917 -0.568 1
1 185 . 11 1 1 A 29 29 VAL CB C 29 31.799 31.856 -0.057 1
1 188 . 11 1 1 A 29 29 VAL N N 29 119.411 126.155 -6.744 1
1 189 . 11 1 1 A 30 30 GLU H H 30 8.432 8.047 0.385 1
1 190 . 11 1 1 A 30 30 GLU HA H 30 4.011 3.911 0.100 1
1 195 . 11 1 1 A 30 30 GLU CA C 30 59.597 59.637 -0.040 1
1 196 . 11 1 1 A 30 30 GLU CB C 30 28.912 29.134 -0.222 1
1 198 . 11 1 1 A 30 30 GLU N N 30 119.890 119.912 -0.022 1
1 199 . 11 1 1 A 31 31 GLU H H 31 7.737 8.202 -0.465 1
1 200 . 11 1 1 A 31 31 GLU HA H 31 3.604 4.091 -0.487 1
1 205 . 11 1 1 A 31 31 GLU CA C 31 58.718 59.046 -0.328 1
1 206 . 11 1 1 A 31 31 GLU CB C 31 30.666 29.540 1.126 1
1 208 . 11 1 1 A 31 31 GLU N N 31 120.821 118.753 2.068 1
1 209 . 11 1 1 A 32 32 ARG H H 32 8.382 8.573 -0.191 1
1 210 . 11 1 1 A 32 32 ARG HA H 32 3.998 4.158 -0.160 1
1 213 . 11 1 1 A 32 32 ARG CA C 32 57.356 58.948 -1.592 1
1 214 . 11 1 1 A 32 32 ARG CB C 32 28.870 30.031 -1.161 1
1 215 . 11 1 1 A 32 32 ARG N N 32 117.523 120.379 -2.856 1
1 216 . 11 1 1 A 33 33 ALA H H 33 7.919 8.112 -0.193 1
1 217 . 11 1 1 A 33 33 ALA HA H 33 4.248 4.021 0.227 1
1 221 . 11 1 1 A 33 33 ALA CA C 33 55.007 53.822 1.185 1
1 222 . 11 1 1 A 33 33 ALA CB C 33 17.601 18.891 -1.290 1
1 223 . 11 1 1 A 33 33 ALA N N 33 119.982 121.724 -1.742 1
1 224 . 11 1 1 A 34 34 LYS H H 34 7.212 7.807 -0.595 1
1 225 . 11 1 1 A 34 34 LYS HA H 34 4.194 4.047 0.147 1
1 234 . 11 1 1 A 34 34 LYS CA C 34 58.852 59.531 -0.679 1
1 235 . 11 1 1 A 34 34 LYS CB C 34 31.598 32.027 -0.429 1
1 239 . 11 1 1 A 34 34 LYS N N 34 119.567 119.195 0.372 1
1 240 . 11 1 1 A 35 35 HIS H H 35 8.814 8.305 0.509 1
1 241 . 11 1 1 A 35 35 HIS HA H 35 4.923 4.229 0.694 1
1 244 . 11 1 1 A 35 35 HIS CA C 35 57.821 59.039 -1.218 1
1 245 . 11 1 1 A 35 35 HIS CB C 35 29.950 28.634 1.316 1
1 246 . 11 1 1 A 35 35 HIS N N 35 122.252 117.355 4.897 1
1 247 . 11 1 1 A 36 36 ASP H H 36 9.292 7.770 1.522 1
1 248 . 11 1 1 A 36 36 ASP HA H 36 4.454 4.306 0.148 1
1 251 . 11 1 1 A 36 36 ASP CA C 36 57.305 57.700 -0.395 1
1 252 . 11 1 1 A 36 36 ASP CB C 36 39.889 41.209 -1.320 1
1 253 . 11 1 1 A 36 36 ASP N N 36 118.831 122.404 -3.573 1
1 254 . 11 1 1 A 37 37 GLN H H 37 7.673 7.515 0.158 1
1 255 . 11 1 1 A 37 37 GLN HA H 37 4.241 3.995 0.246 1
1 262 . 11 1 1 A 37 37 GLN CA C 37 59.019 59.236 -0.217 1
1 263 . 11 1 1 A 37 37 GLN CB C 37 28.315 28.255 0.060 1
1 265 . 11 1 1 A 37 37 GLN N N 37 120.072 119.256 0.816 1
1 266 . 11 1 1 A 38 38 GLN H H 38 8.329 8.444 -0.115 1
1 267 . 11 1 1 A 38 38 GLN HA H 38 4.040 4.197 -0.157 1
1 274 . 11 1 1 A 38 38 GLN CA C 38 58.734 59.015 -0.281 1
1 275 . 11 1 1 A 38 38 GLN CB C 38 28.549 28.497 0.052 1
1 277 . 11 1 1 A 38 38 GLN N N 38 120.847 118.516 2.331 1
1 279 . 11 1 1 A 39 39 PHE H H 39 9.453 8.483 0.970 1
1 280 . 11 1 1 A 39 39 PHE HA H 39 2.811 4.244 -1.433 1
1 286 . 11 1 1 A 39 39 PHE CA C 39 61.602 61.511 0.091 1
1 287 . 11 1 1 A 39 39 PHE CB C 39 38.799 39.187 -0.388 1
1 291 . 11 1 1 A 39 39 PHE N N 39 123.507 121.940 1.567 1
1 292 . 11 1 1 A 40 40 HIS H H 40 8.096 8.265 -0.169 1
1 293 . 11 1 1 A 40 40 HIS HA H 40 3.884 4.236 -0.352 1
1 297 . 11 1 1 A 40 40 HIS CA C 40 59.910 60.383 -0.473 1
1 298 . 11 1 1 A 40 40 HIS CB C 40 29.558 29.606 -0.048 1
1 300 . 11 1 1 A 40 40 HIS N N 40 114.319 118.279 -3.960 1
1 301 . 11 1 1 A 41 41 SER H H 41 7.818 7.737 0.081 1
1 302 . 11 1 1 A 41 41 SER HA H 41 4.300 4.329 -0.029 1
1 305 . 11 1 1 A 41 41 SER CA C 41 60.851 60.940 -0.089 1
1 306 . 11 1 1 A 41 41 SER CB C 41 62.612 63.349 -0.737 1
1 307 . 11 1 1 A 41 41 SER N N 41 116.677 114.474 2.203 1
1 308 . 11 1 1 A 42 42 LEU H H 42 7.079 7.436 -0.357 1
1 309 . 11 1 1 A 42 42 LEU HA H 42 4.071 4.121 -0.050 1
1 319 . 11 1 1 A 42 42 LEU CA C 42 54.685 54.999 -0.314 1
1 320 . 11 1 1 A 42 42 LEU CB C 42 40.874 42.020 -1.146 1
1 324 . 11 1 1 A 42 42 LEU N N 42 121.868 119.537 2.331 1
1 325 . 11 1 1 A 43 43 LYS H H 43 7.345 7.909 -0.564 1
1 326 . 11 1 1 A 43 43 LYS HA H 43 3.877 3.905 -0.028 1
1 335 . 11 1 1 A 43 43 LYS CA C 43 56.035 56.773 -0.738 1
1 336 . 11 1 1 A 43 43 LYS CB C 43 28.886 30.473 -1.587 1
1 340 . 11 1 1 A 43 43 LYS N N 43 110.393 116.190 -5.797 1
1 341 . 11 1 1 A 44 44 PRO HA H 44 4.239 4.787 -0.548 1
1 348 . 11 1 1 A 44 44 PRO CA C 44 62.424 62.748 -0.324 1
1 349 . 11 1 1 A 44 44 PRO CB C 44 32.413 31.744 0.669 1
1 352 . 11 1 1 A 45 45 ILE H H 45 8.586 8.113 0.473 1
1 353 . 11 1 1 A 45 45 ILE HA H 45 4.337 3.810 0.527 1
1 363 . 11 1 1 A 45 45 ILE CA C 45 60.170 64.395 -4.225 1
1 364 . 11 1 1 A 45 45 ILE CB C 45 39.143 38.141 1.002 1
1 368 . 11 1 1 A 45 45 ILE N N 45 120.985 123.701 -2.716 1
1 369 . 11 1 1 A 46 46 SER H H 46 9.512 8.138 1.374 1
1 370 . 11 1 1 A 46 46 SER HA H 46 4.055 4.681 -0.626 1
1 373 . 11 1 1 A 46 46 SER CA C 46 58.483 58.893 -0.410 1
1 374 . 11 1 1 A 46 46 SER CB C 46 62.174 66.134 -3.960 1
1 375 . 11 1 1 A 46 46 SER N N 46 124.158 112.506 11.652 1
1 376 . 11 1 1 A 47 47 GLY H H 47 8.555 7.350 1.205 1
1 377 . 11 1 1 A 47 47 GLY HA2 H 47 4.020 3.619 0.401 1
1 378 . 11 1 1 A 47 47 GLY HA3 H 47 3.531 3.741 -0.210 1
1 379 . 11 1 1 A 47 47 GLY CA C 47 44.328 45.346 -1.018 1
1 380 . 11 1 1 A 47 47 GLY N N 47 162.194 104.795 57.399 1
1 381 . 11 1 1 A 48 48 PHE H H 48 7.710 7.724 -0.014 1
1 382 . 11 1 1 A 48 48 PHE HA H 48 5.783 5.207 0.576 1
1 387 . 11 1 1 A 48 48 PHE CA C 48 56.732 56.461 0.271 1
1 388 . 11 1 1 A 48 48 PHE CB C 48 43.784 43.600 0.184 1
1 391 . 11 1 1 A 48 48 PHE N N 48 115.641 117.965 -2.324 1
1 392 . 11 1 1 A 49 49 ILE H H 49 9.141 8.888 0.253 1
1 393 . 11 1 1 A 49 49 ILE HA H 49 4.908 5.022 -0.114 1
1 403 . 11 1 1 A 49 49 ILE CA C 49 59.368 59.400 -0.032 1
1 404 . 11 1 1 A 49 49 ILE CB C 49 39.945 42.254 -2.309 1
1 408 . 11 1 1 A 49 49 ILE N N 49 114.692 116.843 -2.151 1
1 409 . 11 1 1 A 50 50 THR H H 50 8.700 8.413 0.287 1
1 410 . 11 1 1 A 50 50 THR HA H 50 4.473 4.901 -0.428 1
1 415 . 11 1 1 A 50 50 THR CA C 50 60.914 59.523 1.391 1
1 416 . 11 1 1 A 50 50 THR CB C 50 70.829 71.334 -0.505 1
1 418 . 11 1 1 A 50 50 THR N N 50 112.658 115.102 -2.444 1
1 419 . 11 1 1 A 51 51 GLY H H 51 8.778 9.009 -0.231 1
1 420 . 11 1 1 A 51 51 GLY HA2 H 51 3.790 3.530 0.260 1
1 421 . 11 1 1 A 51 51 GLY HA3 H 51 3.713 3.646 0.067 1
1 422 . 11 1 1 A 51 51 GLY CA C 51 48.310 47.297 1.013 1
1 423 . 11 1 1 A 51 51 GLY N N 51 108.204 113.457 -5.253 1
1 424 . 11 1 1 A 52 52 ASP H H 52 8.225 8.259 -0.034 1
1 425 . 11 1 1 A 52 52 ASP HA H 52 4.216 4.204 0.012 1
1 428 . 11 1 1 A 52 52 ASP CA C 52 57.344 57.176 0.168 1
1 429 . 11 1 1 A 52 52 ASP CB C 52 40.304 41.726 -1.422 1
1 430 . 11 1 1 A 52 52 ASP N N 52 119.404 121.778 -2.374 1
1 431 . 11 1 1 A 53 53 GLN H H 53 7.810 7.836 -0.026 1
1 432 . 11 1 1 A 53 53 GLN HA H 53 3.969 4.016 -0.047 1
1 439 . 11 1 1 A 53 53 GLN CA C 53 58.673 58.661 0.012 1
1 440 . 11 1 1 A 53 53 GLN CB C 53 29.794 28.519 1.275 1
1 442 . 11 1 1 A 53 53 GLN N N 53 118.935 117.383 1.552 1
1 444 . 11 1 1 A 54 54 ALA H H 54 8.293 8.071 0.222 1
1 445 . 11 1 1 A 54 54 ALA HA H 54 3.642 3.882 -0.240 1
1 449 . 11 1 1 A 54 54 ALA CA C 54 55.243 55.161 0.082 1
1 450 . 11 1 1 A 54 54 ALA CB C 54 19.448 17.900 1.548 1
1 451 . 11 1 1 A 54 54 ALA N N 54 120.858 122.729 -1.871 1
1 452 . 11 1 1 A 55 55 ARG H H 55 8.744 8.027 0.717 1
1 453 . 11 1 1 A 55 55 ARG HA H 55 3.795 3.198 0.597 1
1 460 . 11 1 1 A 55 55 ARG CA C 55 60.628 59.310 1.318 1
1 461 . 11 1 1 A 55 55 ARG CB C 55 30.224 30.072 0.152 1
1 464 . 11 1 1 A 55 55 ARG N N 55 115.211 117.614 -2.403 1
1 465 . 11 1 1 A 56 56 ASN H H 56 8.056 8.178 -0.122 1
1 466 . 11 1 1 A 56 56 ASN HA H 56 4.470 4.398 0.072 1
1 471 . 11 1 1 A 56 56 ASN CA C 56 56.091 56.172 -0.081 1
1 472 . 11 1 1 A 56 56 ASN CB C 56 38.069 38.971 -0.902 1
1 473 . 11 1 1 A 56 56 ASN N N 56 116.543 118.213 -1.670 1
1 475 . 11 1 1 A 57 57 PHE H H 57 7.567 7.992 -0.425 1
1 476 . 11 1 1 A 57 57 PHE HA H 57 4.517 4.267 0.250 1
1 481 . 11 1 1 A 57 57 PHE CA C 57 61.373 61.566 -0.193 1
1 482 . 11 1 1 A 57 57 PHE CB C 57 39.518 39.425 0.093 1
1 485 . 11 1 1 A 57 57 PHE N N 57 121.111 120.160 0.951 1
1 486 . 11 1 1 A 58 58 PHE H H 58 8.995 7.643 1.352 1
1 487 . 11 1 1 A 58 58 PHE HA H 58 4.501 4.951 -0.450 1
1 491 . 11 1 1 A 58 58 PHE CA C 58 57.190 58.994 -1.804 1
1 492 . 11 1 1 A 58 58 PHE CB C 58 37.236 37.426 -0.190 1
1 494 . 11 1 1 A 58 58 PHE N N 58 119.594 117.110 2.484 1
1 495 . 11 1 1 A 59 59 PHE H H 59 8.510 8.044 0.466 1
1 496 . 11 1 1 A 59 59 PHE HA H 59 4.296 4.288 0.008 1
1 500 . 11 1 1 A 59 59 PHE CA C 59 60.456 62.383 -1.927 1
1 501 . 11 1 1 A 59 59 PHE CB C 59 38.914 38.792 0.122 1
1 503 . 11 1 1 A 59 59 PHE N N 59 120.834 118.307 2.527 1
1 504 . 11 1 1 A 60 60 GLN H H 60 7.652 7.892 -0.240 1
1 505 . 11 1 1 A 60 60 GLN HA H 60 4.056 4.219 -0.163 1
1 512 . 11 1 1 A 60 60 GLN CA C 60 57.133 58.019 -0.886 1
1 513 . 11 1 1 A 60 60 GLN CB C 60 27.771 28.464 -0.693 1
1 515 . 11 1 1 A 60 60 GLN N N 60 116.464 117.356 -0.892 1
1 517 . 11 1 1 A 61 61 SER H H 61 7.823 7.772 0.051 1
1 518 . 11 1 1 A 61 61 SER HA H 61 3.985 4.450 -0.465 1
1 521 . 11 1 1 A 61 61 SER CA C 61 60.571 58.778 1.793 1
1 522 . 11 1 1 A 61 61 SER CB C 61 65.277 63.674 1.603 1
1 523 . 11 1 1 A 61 61 SER N N 61 113.448 112.711 0.737 1
1 524 . 11 1 1 A 62 62 GLY H H 62 7.478 8.080 -0.602 1
1 525 . 11 1 1 A 62 62 GLY HA2 H 62 4.115 3.928 0.187 1
1 526 . 11 1 1 A 62 62 GLY HA3 H 62 3.699 3.942 -0.243 1
1 527 . 11 1 1 A 62 62 GLY CA C 62 45.445 45.796 -0.351 1
1 528 . 11 1 1 A 62 62 GLY N N 62 108.189 110.458 -2.269 1
1 529 . 11 1 1 A 63 63 LEU H H 63 7.282 7.944 -0.662 1
1 530 . 11 1 1 A 63 63 LEU HA H 63 4.471 4.650 -0.179 1
1 540 . 11 1 1 A 63 63 LEU CA C 63 52.971 52.113 0.858 1
1 541 . 11 1 1 A 63 63 LEU CB C 63 41.597 41.973 -0.376 1
1 545 . 11 1 1 A 63 63 LEU N N 63 120.356 121.836 -1.480 1
1 546 . 11 1 1 A 64 64 PRO HA H 64 4.559 4.507 0.052 1
1 553 . 11 1 1 A 64 64 PRO CA C 64 63.039 62.766 0.273 1
1 554 . 11 1 1 A 64 64 PRO CB C 64 33.402 32.635 0.767 1
1 557 . 11 1 1 A 65 65 GLN H H 65 9.289 8.566 0.723 1
1 558 . 11 1 1 A 65 65 GLN HA H 65 4.194 3.824 0.370 1
1 563 . 11 1 1 A 65 65 GLN CA C 65 61.180 60.142 1.038 1
1 564 . 11 1 1 A 65 65 GLN CB C 65 25.845 27.874 -2.029 1
1 566 . 11 1 1 A 65 65 GLN N N 65 122.729 121.847 0.882 1
1 567 . 11 1 1 A 66 66 PRO HA H 66 4.399 4.337 0.062 1
1 574 . 11 1 1 A 66 66 PRO CA C 66 65.956 65.529 0.427 1
1 575 . 11 1 1 A 66 66 PRO CB C 66 30.665 30.936 -0.271 1
1 578 . 11 1 1 A 67 67 VAL H H 67 6.875 6.904 -0.029 1
1 579 . 11 1 1 A 67 67 VAL HA H 67 3.930 3.736 0.194 1
1 587 . 11 1 1 A 67 67 VAL CA C 67 64.811 65.085 -0.274 1
1 588 . 11 1 1 A 67 67 VAL CB C 67 31.581 31.354 0.227 1
1 591 . 11 1 1 A 67 67 VAL N N 67 117.350 116.577 0.773 1
1 592 . 11 1 1 A 68 68 LEU H H 68 7.965 8.284 -0.319 1
1 593 . 11 1 1 A 68 68 LEU HA H 68 3.955 3.427 0.528 1
1 603 . 11 1 1 A 68 68 LEU CA C 68 57.878 57.389 0.489 1
1 604 . 11 1 1 A 68 68 LEU CB C 68 40.821 41.331 -0.510 1
1 608 . 11 1 1 A 68 68 LEU N N 68 119.980 119.745 0.235 1
1 609 . 11 1 1 A 69 69 ALA H H 69 8.577 8.789 -0.212 1
1 610 . 11 1 1 A 69 69 ALA HA H 69 4.375 4.074 0.301 1
1 614 . 11 1 1 A 69 69 ALA CA C 69 55.128 54.942 0.186 1
1 615 . 11 1 1 A 69 69 ALA CB C 69 17.533 18.296 -0.763 1
1 616 . 11 1 1 A 69 69 ALA N N 69 122.731 120.681 2.050 1
1 617 . 11 1 1 A 70 70 GLN H H 70 7.534 7.760 -0.226 1
1 618 . 11 1 1 A 70 70 GLN HA H 70 4.190 4.022 0.168 1
1 625 . 11 1 1 A 70 70 GLN CA C 70 58.623 58.980 -0.357 1
1 626 . 11 1 1 A 70 70 GLN CB C 70 28.349 28.172 0.177 1
1 628 . 11 1 1 A 70 70 GLN N N 70 120.846 117.609 3.237 1
1 630 . 11 1 1 A 71 71 ILE H H 71 8.170 7.557 0.613 1
1 631 . 11 1 1 A 71 71 ILE HA H 71 3.455 3.583 -0.128 1
1 641 . 11 1 1 A 71 71 ILE CA C 71 66.530 65.279 1.251 1
1 642 . 11 1 1 A 71 71 ILE CB C 71 37.768 37.713 0.055 1
1 646 . 11 1 1 A 71 71 ILE N N 71 120.351 120.192 0.159 1
1 647 . 11 1 1 A 72 72 TRP H H 72 8.473 7.897 0.576 1
1 648 . 11 1 1 A 72 72 TRP HA H 72 3.845 4.321 -0.476 1
1 657 . 11 1 1 A 72 72 TRP CA C 72 61.144 61.095 0.049 1
1 658 . 11 1 1 A 72 72 TRP CB C 72 28.496 29.260 -0.764 1
1 664 . 11 1 1 A 72 72 TRP N N 72 119.417 121.616 -2.199 1
1 666 . 11 1 1 A 73 73 ALA H H 73 7.647 8.466 -0.819 1
1 667 . 11 1 1 A 73 73 ALA HA H 73 4.012 3.876 0.136 1
1 671 . 11 1 1 A 73 73 ALA CA C 73 54.154 54.628 -0.474 1
1 672 . 11 1 1 A 73 73 ALA CB C 73 18.059 18.239 -0.180 1
1 673 . 11 1 1 A 73 73 ALA N N 73 116.148 121.434 -5.286 1
1 674 . 11 1 1 A 74 74 LEU H H 74 7.493 7.816 -0.323 1
1 675 . 11 1 1 A 74 74 LEU HA H 74 3.947 4.112 -0.165 1
1 685 . 11 1 1 A 74 74 LEU CA C 74 56.478 57.537 -1.059 1
1 686 . 11 1 1 A 74 74 LEU CB C 74 43.726 41.992 1.734 1
1 690 . 11 1 1 A 74 74 LEU N N 74 115.647 118.514 -2.867 1
1 691 . 11 1 1 A 75 75 ALA H H 75 7.952 8.514 -0.562 1
1 692 . 11 1 1 A 75 75 ALA HA H 75 4.019 4.181 -0.162 1
1 696 . 11 1 1 A 75 75 ALA CA C 75 53.982 54.844 -0.862 1
1 697 . 11 1 1 A 75 75 ALA CB C 75 19.913 18.302 1.611 1
1 698 . 11 1 1 A 75 75 ALA N N 75 118.000 121.094 -3.094 1
1 699 . 11 1 1 A 76 76 ASP H H 76 7.798 8.141 -0.343 1
1 700 . 11 1 1 A 76 76 ASP HA H 76 4.587 4.675 -0.088 1
1 703 . 11 1 1 A 76 76 ASP CA C 76 51.849 53.202 -1.353 1
1 704 . 11 1 1 A 76 76 ASP CB C 76 36.265 39.291 -3.026 1
1 705 . 11 1 1 A 76 76 ASP N N 76 114.297 117.486 -3.189 1
1 706 . 11 1 1 A 77 77 MET H H 77 8.077 8.222 -0.145 1
1 707 . 11 1 1 A 77 77 MET HA H 77 3.867 4.078 -0.211 1
1 715 . 11 1 1 A 77 77 MET CA C 77 59.024 59.055 -0.031 1
1 716 . 11 1 1 A 77 77 MET CB C 77 34.550 33.420 1.130 1
1 719 . 11 1 1 A 77 77 MET N N 77 123.959 123.578 0.381 1
1 720 . 11 1 1 A 78 78 ASN H H 78 7.801 8.559 -0.758 1
1 721 . 11 1 1 A 78 78 ASN HA H 78 4.839 4.738 0.101 1
1 726 . 11 1 1 A 78 78 ASN CA C 78 50.889 52.819 -1.930 1
1 727 . 11 1 1 A 78 78 ASN CB C 78 37.028 38.408 -1.380 1
1 728 . 11 1 1 A 78 78 ASN N N 78 112.247 113.226 -0.979 1
1 730 . 11 1 1 A 79 79 ASN H H 79 8.019 8.104 -0.085 1
1 731 . 11 1 1 A 79 79 ASN HA H 79 4.380 5.174 -0.794 1
1 736 . 11 1 1 A 79 79 ASN CA C 79 54.319 53.837 0.482 1
1 737 . 11 1 1 A 79 79 ASN CB C 79 37.867 36.627 1.240 1
1 738 . 11 1 1 A 79 79 ASN N N 79 116.050 117.376 -1.326 1
1 740 . 11 1 1 A 80 80 ASP H H 80 8.019 7.816 0.203 1
1 741 . 11 1 1 A 80 80 ASP HA H 80 4.784 4.850 -0.066 1
1 744 . 11 1 1 A 80 80 ASP CA C 80 52.672 53.974 -1.302 1
1 745 . 11 1 1 A 80 80 ASP CB C 80 41.585 41.733 -0.148 1
1 746 . 11 1 1 A 80 80 ASP N N 80 115.620 123.823 -8.203 1
1 747 . 11 1 1 A 81 81 GLY H H 81 10.345 9.109 1.236 1
1 748 . 11 1 1 A 81 81 GLY HA2 H 81 4.339 4.108 0.231 1
1 749 . 11 1 1 A 81 81 GLY HA3 H 81 4.044 4.187 -0.143 1
1 750 . 11 1 1 A 81 81 GLY CA C 81 46.560 45.643 0.917 1
1 751 . 11 1 1 A 81 81 GLY N N 81 112.191 107.840 4.351 1
1 752 . 11 1 1 A 82 82 ARG H H 82 8.365 7.315 1.050 1
1 753 . 11 1 1 A 82 82 ARG HA H 82 5.105 5.023 0.082 1
1 760 . 11 1 1 A 82 82 ARG CA C 82 53.982 55.223 -1.241 1
1 761 . 11 1 1 A 82 82 ARG CB C 82 33.303 33.132 0.171 1
1 764 . 11 1 1 A 82 82 ARG N N 82 117.518 116.356 1.162 1
1 765 . 11 1 1 A 83 83 MET H H 83 9.038 8.815 0.223 1
1 766 . 11 1 1 A 83 83 MET HA H 83 6.142 5.029 1.113 1
1 774 . 11 1 1 A 83 83 MET CA C 83 55.586 54.886 0.700 1
1 775 . 11 1 1 A 83 83 MET CB C 83 38.610 33.718 4.892 1
1 778 . 11 1 1 A 83 83 MET N N 83 120.510 120.251 0.259 1
1 779 . 11 1 1 A 84 84 ASP H H 84 7.586 8.738 -1.152 1
1 780 . 11 1 1 A 84 84 ASP HA H 84 5.259 4.900 0.359 1
1 783 . 11 1 1 A 84 84 ASP CA C 84 51.182 52.702 -1.520 1
1 784 . 11 1 1 A 84 84 ASP CB C 84 42.047 43.042 -0.995 1
1 785 . 11 1 1 A 84 84 ASP N N 84 122.321 124.929 -2.608 1
1 786 . 11 1 1 A 85 85 GLN H H 85 7.988 8.666 -0.678 1
1 787 . 11 1 1 A 85 85 GLN HA H 85 2.609 4.082 -1.473 1
1 794 . 11 1 1 A 85 85 GLN CA C 85 58.909 59.378 -0.469 1
1 795 . 11 1 1 A 85 85 GLN CB C 85 29.346 28.552 0.794 1
1 797 . 11 1 1 A 85 85 GLN N N 85 115.617 123.532 -7.915 1
1 799 . 11 1 1 A 86 86 VAL H H 86 7.357 8.126 -0.769 1
1 800 . 11 1 1 A 86 86 VAL HA H 86 3.557 3.891 -0.334 1
1 808 . 11 1 1 A 86 86 VAL CA C 86 66.117 64.657 1.460 1
1 809 . 11 1 1 A 86 86 VAL CB C 86 31.538 31.695 -0.157 1
1 812 . 11 1 1 A 86 86 VAL N N 86 120.551 119.358 1.193 1
1 813 . 11 1 1 A 87 87 GLU H H 87 8.375 8.283 0.092 1
1 814 . 11 1 1 A 87 87 GLU HA H 87 3.908 4.113 -0.205 1
1 819 . 11 1 1 A 87 87 GLU CA C 87 59.424 59.423 0.001 1
1 820 . 11 1 1 A 87 87 GLU CB C 87 31.466 29.562 1.904 1
1 822 . 11 1 1 A 87 87 GLU N N 87 119.417 122.530 -3.113 1
1 823 . 11 1 1 A 88 88 PHE H H 88 8.482 9.145 -0.663 1
1 824 . 11 1 1 A 88 88 PHE HA H 88 4.427 4.126 0.301 1
1 828 . 11 1 1 A 88 88 PHE CA C 88 62.061 61.363 0.698 1
1 829 . 11 1 1 A 88 88 PHE CB C 88 40.726 39.180 1.546 1
1 831 . 11 1 1 A 88 88 PHE N N 88 117.094 122.065 -4.971 1
1 832 . 11 1 1 A 89 89 SER H H 89 7.490 7.887 -0.397 1
1 833 . 11 1 1 A 89 89 SER HA H 89 4.763 4.161 0.602 1
1 836 . 11 1 1 A 89 89 SER CA C 89 59.783 60.827 -1.044 1
1 837 . 11 1 1 A 89 89 SER CB C 89 59.544 62.714 -3.170 1
1 838 . 11 1 1 A 89 89 SER N N 89 113.424 113.304 0.120 1
1 839 . 11 1 1 A 90 90 ILE H H 90 8.034 7.462 0.572 1
1 840 . 11 1 1 A 90 90 ILE HA H 90 3.506 4.261 -0.755 1
1 850 . 11 1 1 A 90 90 ILE CA C 90 66.098 62.441 3.657 1
1 851 . 11 1 1 A 90 90 ILE CB C 90 37.905 39.843 -1.938 1
1 855 . 11 1 1 A 90 90 ILE N N 90 118.472 120.854 -2.382 1
1 856 . 11 1 1 A 91 91 ALA H H 91 8.197 7.752 0.445 1
1 857 . 11 1 1 A 91 91 ALA HA H 91 4.286 4.081 0.205 1
1 861 . 11 1 1 A 91 91 ALA CA C 91 52.435 54.763 -2.328 1
1 862 . 11 1 1 A 91 91 ALA CB C 91 19.091 18.411 0.680 1
1 863 . 11 1 1 A 91 91 ALA N N 91 119.275 124.361 -5.086 1
1 864 . 11 1 1 A 92 92 MET H H 92 8.183 7.598 0.585 1
1 865 . 11 1 1 A 92 92 MET HA H 92 4.268 4.115 0.153 1
1 870 . 11 1 1 A 92 92 MET CA C 92 55.643 58.371 -2.728 1
1 871 . 11 1 1 A 92 92 MET CB C 92 29.521 32.139 -2.618 1
1 873 . 11 1 1 A 92 92 MET N N 92 118.681 116.503 2.178 1
1 874 . 11 1 1 A 93 93 LYS H H 93 8.172 7.583 0.589 1
1 875 . 11 1 1 A 93 93 LYS HA H 93 4.006 4.223 -0.217 1
1 878 . 11 1 1 A 93 93 LYS CA C 93 56.840 58.181 -1.341 1
1 879 . 11 1 1 A 93 93 LYS CB C 93 32.830 32.875 -0.045 1
1 880 . 11 1 1 A 93 93 LYS N N 93 120.362 118.151 2.211 1
1 881 . 11 1 1 A 94 94 LEU H H 94 8.017 7.638 0.379 1
1 882 . 11 1 1 A 94 94 LEU HA H 94 3.884 4.149 -0.265 1
1 892 . 11 1 1 A 94 94 LEU CA C 94 58.234 57.910 0.324 1
1 893 . 11 1 1 A 94 94 LEU CB C 94 42.050 41.828 0.222 1
1 897 . 11 1 1 A 94 94 LEU N N 94 114.192 120.220 -6.028 1
1 898 . 11 1 1 A 95 95 ILE H H 95 8.377 7.881 0.496 1
1 899 . 11 1 1 A 95 95 ILE HA H 95 3.254 3.564 -0.310 1
1 909 . 11 1 1 A 95 95 ILE CA C 95 66.013 65.417 0.596 1
1 910 . 11 1 1 A 95 95 ILE CB C 95 38.284 37.672 0.612 1
1 914 . 11 1 1 A 95 95 ILE N N 95 118.949 119.991 -1.042 1
1 915 . 11 1 1 A 96 96 LYS H H 96 7.751 8.182 -0.431 1
1 916 . 11 1 1 A 96 96 LYS HA H 96 3.928 4.039 -0.111 1
1 925 . 11 1 1 A 96 96 LYS CA C 96 59.701 59.404 0.297 1
1 926 . 11 1 1 A 96 96 LYS CB C 96 32.286 32.142 0.144 1
1 930 . 11 1 1 A 96 96 LYS N N 96 119.637 121.299 -1.662 1
1 931 . 11 1 1 A 97 97 LEU H H 97 8.382 7.727 0.655 1
1 932 . 11 1 1 A 97 97 LEU HA H 97 4.006 4.149 -0.143 1
1 942 . 11 1 1 A 97 97 LEU CA C 97 57.363 57.001 0.362 1
1 943 . 11 1 1 A 97 97 LEU CB C 97 40.459 42.413 -1.954 1
1 947 . 11 1 1 A 97 97 LEU N N 97 117.727 120.761 -3.034 1
1 948 . 11 1 1 A 98 98 LYS H H 98 8.761 8.421 0.340 1
1 949 . 11 1 1 A 98 98 LYS HA H 98 4.548 4.162 0.386 1
1 958 . 11 1 1 A 98 98 LYS CA C 98 57.477 59.356 -1.879 1
1 959 . 11 1 1 A 98 98 LYS CB C 98 31.294 31.701 -0.407 1
1 963 . 11 1 1 A 98 98 LYS N N 98 122.255 119.468 2.787 1
1 964 . 11 1 1 A 99 99 LEU H H 99 8.798 8.148 0.650 1
1 965 . 11 1 1 A 99 99 LEU HA H 99 4.100 4.155 -0.055 1
1 975 . 11 1 1 A 99 99 LEU CA C 99 57.878 56.852 1.026 1
1 976 . 11 1 1 A 99 99 LEU CB C 99 41.605 41.600 0.005 1
1 980 . 11 1 1 A 99 99 LEU N N 99 122.214 120.089 2.125 1
1 981 . 11 1 1 A 100 100 GLN H H 100 7.749 7.711 0.038 1
1 982 . 11 1 1 A 100 100 GLN HA H 100 4.285 4.509 -0.224 1
1 989 . 11 1 1 A 100 100 GLN CA C 100 56.503 55.825 0.678 1
1 990 . 11 1 1 A 100 100 GLN CB C 100 29.576 29.637 -0.061 1
1 992 . 11 1 1 A 100 100 GLN N N 100 116.914 117.784 -0.870 1
1 993 . 11 1 1 A 101 101 GLY H H 101 7.910 8.744 -0.834 1
1 994 . 11 1 1 A 101 101 GLY HA2 H 101 4.262 3.790 0.472 1
1 995 . 11 1 1 A 101 101 GLY HA3 H 101 3.661 3.878 -0.217 1
1 996 . 11 1 1 A 101 101 GLY CA C 101 44.884 46.383 -1.499 1
1 997 . 11 1 1 A 101 101 GLY N N 101 106.044 108.365 -2.321 1
1 998 . 11 1 1 A 102 102 TYR H H 102 8.078 8.054 0.024 1
1 999 . 11 1 1 A 102 102 TYR HA H 102 4.311 5.125 -0.814 1
1 1006 . 11 1 1 A 102 102 TYR CA C 102 59.253 56.591 2.662 1
1 1007 . 11 1 1 A 102 102 TYR CB C 102 37.849 43.279 -5.430 1
1 1010 . 11 1 1 A 102 102 TYR N N 102 120.876 118.654 2.222 1
1 1011 . 11 1 1 A 103 103 GLN H H 103 8.610 9.163 -0.553 1
1 1012 . 11 1 1 A 103 103 GLN HA H 103 4.280 5.169 -0.889 1
1 1015 . 11 1 1 A 103 103 GLN CA C 103 56.620 54.164 2.456 1
1 1016 . 11 1 1 A 103 103 GLN CB C 103 29.100 33.162 -4.062 1
1 1017 . 11 1 1 A 103 103 GLN N N 103 119.785 118.830 0.955 1
1 1018 . 11 1 1 A 105 105 PRO HA H 105 4.631 4.637 -0.006 1
1 1025 . 11 1 1 A 105 105 PRO CA C 105 61.602 62.273 -0.671 1
1 1026 . 11 1 1 A 105 105 PRO CB C 105 31.690 33.274 -1.584 1
1 1029 . 11 1 1 A 106 106 SER H H 106 8.485 8.797 -0.312 1
1 1030 . 11 1 1 A 106 106 SER HA H 106 4.183 4.486 -0.303 1
1 1033 . 11 1 1 A 106 106 SER CA C 106 59.525 59.164 0.361 1
1 1034 . 11 1 1 A 106 106 SER CB C 106 63.078 63.821 -0.743 1
1 1035 . 11 1 1 A 106 106 SER N N 106 112.361 115.118 -2.757 1
1 1036 . 11 1 1 A 107 107 ALA H H 107 7.410 7.580 -0.170 1
1 1037 . 11 1 1 A 107 107 ALA HA H 107 4.308 4.777 -0.469 1
1 1041 . 11 1 1 A 107 107 ALA CA C 107 50.086 50.455 -0.369 1
1 1042 . 11 1 1 A 107 107 ALA CB C 107 21.253 21.320 -0.067 1
1 1043 . 11 1 1 A 107 107 ALA N N 107 121.311 122.935 -1.624 1
1 1044 . 11 1 1 A 108 108 LEU H H 108 8.915 8.444 0.471 1
1 1045 . 11 1 1 A 108 108 LEU HA H 108 4.020 4.654 -0.634 1
1 1055 . 11 1 1 A 108 108 LEU CA C 108 52.990 52.336 0.654 1
1 1056 . 11 1 1 A 108 108 LEU CB C 108 42.041 42.363 -0.322 1
1 1060 . 11 1 1 A 108 108 LEU N N 108 122.607 121.765 0.842 1
1 1061 . 11 1 1 A 110 110 PRO HA H 110 4.024 4.257 -0.233 1
1 1068 . 11 1 1 A 110 110 PRO CA C 110 65.440 64.701 0.739 1
1 1069 . 11 1 1 A 110 110 PRO CB C 110 31.638 31.677 -0.039 1
1 1072 . 11 1 1 A 111 111 VAL H H 111 8.118 7.339 0.779 1
1 1073 . 11 1 1 A 111 111 VAL HA H 111 3.986 3.865 0.121 1
1 1081 . 11 1 1 A 111 111 VAL CA C 111 63.779 65.150 -1.371 1
1 1082 . 11 1 1 A 111 111 VAL CB C 111 31.065 31.367 -0.302 1
1 1085 . 11 1 1 A 111 111 VAL N N 111 115.605 116.476 -0.871 1
1 1086 . 11 1 1 A 112 112 MET H H 112 7.908 7.609 0.299 1
1 1087 . 11 1 1 A 112 112 MET HA H 112 4.160 4.402 -0.242 1
1 1095 . 11 1 1 A 112 112 MET CA C 112 59.098 57.161 1.937 1
1 1096 . 11 1 1 A 112 112 MET CB C 112 34.024 32.062 1.962 1
1 1099 . 11 1 1 A 112 112 MET N N 112 118.943 118.429 0.514 1
1 1100 . 11 1 1 A 113 113 LYS H H 113 7.330 7.341 -0.011 1
1 1101 . 11 1 1 A 113 113 LYS HA H 113 4.182 4.275 -0.093 1
1 1110 . 11 1 1 A 113 113 LYS CA C 113 55.987 55.823 0.164 1
1 1111 . 11 1 1 A 113 113 LYS CB C 113 32.841 32.264 0.577 1
1 1115 . 11 1 1 A 113 113 LYS N N 113 112.617 114.820 -2.203 1
1 1116 . 11 1 1 A 114 114 GLN H H 114 7.114 7.808 -0.694 1
1 1117 . 11 1 1 A 114 114 GLN HA H 114 4.309 4.334 -0.025 1
1 1124 . 11 1 1 A 114 114 GLN CA C 114 54.956 58.014 -3.058 1
1 1125 . 11 1 1 A 114 114 GLN CB C 114 29.241 27.735 1.506 1
1 1127 . 11 1 1 A 114 114 GLN N N 114 117.852 116.433 1.419 1
1 1129 . 11 1 1 A 115 115 GLN H H 115 8.556 8.761 -0.205 1
1 1130 . 11 1 1 A 115 115 GLN HA H 115 4.501 4.023 0.478 1
1 1137 . 11 1 1 A 115 115 GLN CA C 115 53.858 56.505 -2.647 1
1 1138 . 11 1 1 A 115 115 GLN CB C 115 28.234 26.367 1.867 1
1 1140 . 11 1 1 A 115 115 GLN N N 115 123.195 121.071 2.124 1
1 1142 . 11 1 1 A 116 116 PRO HA H 116 4.530 4.339 0.191 1
1 1149 . 11 1 1 A 116 116 PRO CA C 116 63.050 63.115 -0.065 1
1 1150 . 11 1 1 A 116 116 PRO CB C 116 31.953 32.032 -0.079 1
1 1153 . 11 1 1 A 117 117 VAL H H 117 8.345 8.088 0.257 1
1 1154 . 11 1 1 A 117 117 VAL HA H 117 4.167 4.328 -0.161 1
1 1162 . 11 1 1 A 117 117 VAL CA C 117 61.258 60.313 0.945 1
1 1163 . 11 1 1 A 117 117 VAL CB C 117 33.724 32.868 0.856 1
1 1166 . 11 1 1 A 117 117 VAL N N 117 120.361 117.163 3.198 1
1 1167 . 11 1 1 A 118 118 ALA H H 118 8.470 8.593 -0.123 1
1 1168 . 11 1 1 A 118 118 ALA HA H 118 4.452 4.351 0.101 1
1 1172 . 11 1 1 A 118 118 ALA CA C 118 51.678 52.001 -0.323 1
1 1173 . 11 1 1 A 118 118 ALA CB C 118 19.260 19.765 -0.505 1
1 1174 . 11 1 1 A 118 118 ALA N N 118 128.412 123.126 5.286 1
1 1175 . 11 1 1 A 119 119 ILE H H 119 8.250 7.471 0.779 1
1 1176 . 11 1 1 A 119 119 ILE HA H 119 4.240 4.280 -0.040 1
1 1186 . 11 1 1 A 119 119 ILE CA C 119 60.743 61.099 -0.356 1
1 1187 . 11 1 1 A 119 119 ILE CB C 119 38.914 36.863 2.051 1
1 1191 . 11 1 1 A 119 119 ILE N N 119 120.929 121.246 -0.317 1
1 1192 . 11 1 1 A 120 120 SER H H 120 8.413 8.898 -0.485 1
1 1193 . 11 1 1 A 120 120 SER HA H 120 4.543 5.267 -0.724 1
1 1196 . 11 1 1 A 120 120 SER CA C 120 57.878 56.541 1.337 1
1 1197 . 11 1 1 A 120 120 SER CB C 120 63.951 65.778 -1.827 1
1 1198 . 11 1 1 A 120 120 SER N N 120 120.494 122.230 -1.736 1
1 1 . 12 1 1 A 12 12 ALA H H 12 8.223 8.468 -0.245 1
1 2 . 12 1 1 A 12 12 ALA HA H 12 4.220 4.731 -0.511 1
1 6 . 12 1 1 A 12 12 ALA CA C 12 52.323 51.416 0.907 1
1 7 . 12 1 1 A 12 12 ALA CB C 12 19.015 20.950 -1.935 1
1 8 . 12 1 1 A 12 12 ALA N N 12 124.624 120.567 4.057 1
1 9 . 12 1 1 A 13 13 GLN H H 13 8.220 7.574 0.646 1
1 10 . 12 1 1 A 13 13 GLN HA H 13 4.292 4.628 -0.336 1
1 13 . 12 1 1 A 13 13 GLN CA C 13 55.457 54.703 0.754 1
1 14 . 12 1 1 A 13 13 GLN CB C 13 29.804 30.284 -0.480 1
1 15 . 12 1 1 A 13 13 GLN N N 13 119.119 119.428 -0.309 1
1 16 . 12 1 1 A 14 14 PHE H H 14 8.109 8.449 -0.340 1
1 17 . 12 1 1 A 14 14 PHE HA H 14 4.559 5.139 -0.580 1
1 20 . 12 1 1 A 14 14 PHE CA C 14 58.250 55.414 2.836 1
1 21 . 12 1 1 A 14 14 PHE CB C 14 39.950 39.968 -0.018 1
1 22 . 12 1 1 A 14 14 PHE N N 14 121.712 121.499 0.213 1
1 23 . 12 1 1 A 15 15 PRO HA H 15 4.492 4.475 0.017 1
1 30 . 12 1 1 A 15 15 PRO CA C 15 63.047 63.188 -0.141 1
1 31 . 12 1 1 A 15 15 PRO CB C 15 31.810 32.352 -0.542 1
1 34 . 12 1 1 A 16 16 THR H H 16 8.197 8.480 -0.283 1
1 35 . 12 1 1 A 16 16 THR HA H 16 4.614 4.834 -0.220 1
1 40 . 12 1 1 A 16 16 THR CA C 16 59.526 59.240 0.286 1
1 41 . 12 1 1 A 16 16 THR CB C 16 69.603 69.308 0.295 1
1 43 . 12 1 1 A 16 16 THR N N 16 115.700 117.010 -1.310 1
1 44 . 12 1 1 A 17 17 PRO HA H 17 4.360 4.658 -0.298 1
1 51 . 12 1 1 A 17 17 PRO CA C 17 63.321 63.394 -0.073 1
1 52 . 12 1 1 A 17 17 PRO CB C 17 31.680 32.197 -0.517 1
1 55 . 12 1 1 A 18 18 PHE H H 18 8.212 8.535 -0.323 1
1 56 . 12 1 1 A 18 18 PHE HA H 18 4.589 5.251 -0.662 1
1 64 . 12 1 1 A 18 18 PHE CA C 18 57.648 55.586 2.062 1
1 65 . 12 1 1 A 18 18 PHE CB C 18 39.165 41.746 -2.581 1
1 69 . 12 1 1 A 18 18 PHE N N 18 119.185 118.281 0.904 1
1 70 . 12 1 1 A 19 19 GLY H H 19 8.250 8.721 -0.471 1
1 71 . 12 1 1 A 19 19 GLY HA2 H 19 3.943 3.989 -0.046 1
1 72 . 12 1 1 A 19 19 GLY HA3 H 19 3.935 4.062 -0.127 1
1 73 . 12 1 1 A 19 19 GLY CA C 19 45.100 45.953 -0.853 1
1 74 . 12 1 1 A 19 19 GLY N N 19 110.566 106.830 3.736 1
1 75 . 12 1 1 A 20 20 GLY H H 20 7.873 8.797 -0.924 1
1 76 . 12 1 1 A 20 20 GLY HA2 H 20 3.964 4.255 -0.291 1
1 77 . 12 1 1 A 20 20 GLY HA3 H 20 3.955 4.315 -0.360 1
1 78 . 12 1 1 A 20 20 GLY CA C 20 45.056 44.620 0.436 1
1 79 . 12 1 1 A 20 20 GLY N N 20 108.171 112.103 -3.932 1
1 80 . 12 1 1 A 21 21 SER H H 21 8.274 8.817 -0.543 1
1 81 . 12 1 1 A 21 21 SER HA H 21 4.523 4.630 -0.107 1
1 84 . 12 1 1 A 21 21 SER CA C 21 57.951 57.665 0.286 1
1 85 . 12 1 1 A 21 21 SER CB C 21 63.946 64.424 -0.478 1
1 86 . 12 1 1 A 21 21 SER N N 21 115.180 119.176 -3.996 1
1 87 . 12 1 1 A 22 22 LEU H H 22 8.435 8.422 0.013 1
1 88 . 12 1 1 A 22 22 LEU HA H 22 4.302 4.910 -0.608 1
1 98 . 12 1 1 A 22 22 LEU CA C 22 55.846 53.735 2.111 1
1 99 . 12 1 1 A 22 22 LEU CB C 22 42.229 43.257 -1.028 1
1 103 . 12 1 1 A 22 22 LEU N N 22 123.998 122.816 1.182 1
1 104 . 12 1 1 A 23 23 ASP H H 23 8.291 8.688 -0.397 1
1 105 . 12 1 1 A 23 23 ASP HA H 23 4.494 5.029 -0.535 1
1 108 . 12 1 1 A 23 23 ASP CA C 23 54.981 53.922 1.059 1
1 109 . 12 1 1 A 23 23 ASP CB C 23 41.190 44.134 -2.944 1
1 110 . 12 1 1 A 23 23 ASP N N 23 120.385 121.424 -1.039 1
1 111 . 12 1 1 A 24 24 THR H H 24 8.010 8.580 -0.570 1
1 112 . 12 1 1 A 24 24 THR HA H 24 3.770 4.279 -0.509 1
1 117 . 12 1 1 A 24 24 THR CA C 24 64.590 63.077 1.513 1
1 118 . 12 1 1 A 24 24 THR CB C 24 69.620 70.413 -0.793 1
1 120 . 12 1 1 A 24 24 THR N N 24 117.799 117.238 0.561 1
1 121 . 12 1 1 A 25 25 TRP H H 25 7.780 7.443 0.337 1
1 122 . 12 1 1 A 25 25 TRP HA H 25 4.012 4.833 -0.821 1
1 131 . 12 1 1 A 25 25 TRP CA C 25 57.837 57.264 0.573 1
1 132 . 12 1 1 A 25 25 TRP CB C 25 28.842 31.018 -2.176 1
1 138 . 12 1 1 A 25 25 TRP N N 25 118.659 117.642 1.017 1
1 140 . 12 1 1 A 26 26 ALA H H 26 7.101 7.919 -0.818 1
1 141 . 12 1 1 A 26 26 ALA HA H 26 3.949 4.391 -0.442 1
1 145 . 12 1 1 A 26 26 ALA CA C 26 52.102 52.270 -0.168 1
1 146 . 12 1 1 A 26 26 ALA CB C 26 18.840 20.669 -1.829 1
1 147 . 12 1 1 A 26 26 ALA N N 26 117.054 122.089 -5.035 1
1 148 . 12 1 1 A 27 27 ILE H H 27 8.687 8.651 0.036 1
1 149 . 12 1 1 A 27 27 ILE HA H 27 4.332 4.506 -0.174 1
1 159 . 12 1 1 A 27 27 ILE CA C 27 61.430 60.509 0.921 1
1 160 . 12 1 1 A 27 27 ILE CB C 27 38.550 38.453 0.097 1
1 164 . 12 1 1 A 27 27 ILE N N 27 125.107 120.665 4.442 1
1 165 . 12 1 1 A 28 28 THR H H 28 8.981 8.746 0.235 1
1 166 . 12 1 1 A 28 28 THR HA H 28 4.760 4.643 0.117 1
1 171 . 12 1 1 A 28 28 THR CA C 28 60.685 61.802 -1.117 1
1 172 . 12 1 1 A 28 28 THR CB C 28 71.252 69.728 1.524 1
1 174 . 12 1 1 A 28 28 THR N N 28 118.938 122.853 -3.915 1
1 175 . 12 1 1 A 29 29 VAL H H 29 8.612 8.739 -0.127 1
1 176 . 12 1 1 A 29 29 VAL HA H 29 3.532 3.845 -0.313 1
1 184 . 12 1 1 A 29 29 VAL CA C 29 66.349 65.283 1.066 1
1 185 . 12 1 1 A 29 29 VAL CB C 29 31.799 31.567 0.232 1
1 188 . 12 1 1 A 29 29 VAL N N 29 119.411 125.662 -6.251 1
1 189 . 12 1 1 A 30 30 GLU H H 30 8.432 8.559 -0.127 1
1 190 . 12 1 1 A 30 30 GLU HA H 30 4.011 3.971 0.040 1
1 195 . 12 1 1 A 30 30 GLU CA C 30 59.597 59.653 -0.056 1
1 196 . 12 1 1 A 30 30 GLU CB C 30 28.912 29.225 -0.313 1
1 198 . 12 1 1 A 30 30 GLU N N 30 119.890 122.685 -2.795 1
1 199 . 12 1 1 A 31 31 GLU H H 31 7.737 8.532 -0.795 1
1 200 . 12 1 1 A 31 31 GLU HA H 31 3.604 4.096 -0.492 1
1 205 . 12 1 1 A 31 31 GLU CA C 31 58.718 58.922 -0.204 1
1 206 . 12 1 1 A 31 31 GLU CB C 31 30.666 29.284 1.382 1
1 208 . 12 1 1 A 31 31 GLU N N 31 120.821 119.952 0.869 1
1 209 . 12 1 1 A 32 32 ARG H H 32 8.382 8.213 0.169 1
1 210 . 12 1 1 A 32 32 ARG HA H 32 3.998 3.935 0.063 1
1 213 . 12 1 1 A 32 32 ARG CA C 32 57.356 58.792 -1.436 1
1 214 . 12 1 1 A 32 32 ARG CB C 32 28.870 29.719 -0.849 1
1 215 . 12 1 1 A 32 32 ARG N N 32 117.523 120.564 -3.041 1
1 216 . 12 1 1 A 33 33 ALA H H 33 7.919 8.137 -0.218 1
1 217 . 12 1 1 A 33 33 ALA HA H 33 4.248 4.067 0.181 1
1 221 . 12 1 1 A 33 33 ALA CA C 33 55.007 54.796 0.211 1
1 222 . 12 1 1 A 33 33 ALA CB C 33 17.601 18.523 -0.922 1
1 223 . 12 1 1 A 33 33 ALA N N 33 119.982 121.136 -1.154 1
1 224 . 12 1 1 A 34 34 LYS H H 34 7.212 8.333 -1.121 1
1 225 . 12 1 1 A 34 34 LYS HA H 34 4.194 4.182 0.012 1
1 234 . 12 1 1 A 34 34 LYS CA C 34 58.852 58.900 -0.048 1
1 235 . 12 1 1 A 34 34 LYS CB C 34 31.598 31.872 -0.274 1
1 239 . 12 1 1 A 34 34 LYS N N 34 119.567 118.036 1.531 1
1 240 . 12 1 1 A 35 35 HIS H H 35 8.814 8.262 0.552 1
1 241 . 12 1 1 A 35 35 HIS HA H 35 4.923 4.508 0.415 1
1 244 . 12 1 1 A 35 35 HIS CA C 35 57.821 58.830 -1.009 1
1 245 . 12 1 1 A 35 35 HIS CB C 35 29.950 28.788 1.162 1
1 246 . 12 1 1 A 35 35 HIS N N 35 122.252 117.705 4.547 1
1 247 . 12 1 1 A 36 36 ASP H H 36 9.292 8.703 0.589 1
1 248 . 12 1 1 A 36 36 ASP HA H 36 4.454 4.420 0.034 1
1 251 . 12 1 1 A 36 36 ASP CA C 36 57.305 57.803 -0.498 1
1 252 . 12 1 1 A 36 36 ASP CB C 36 39.889 41.548 -1.659 1
1 253 . 12 1 1 A 36 36 ASP N N 36 118.831 122.865 -4.034 1
1 254 . 12 1 1 A 37 37 GLN H H 37 7.673 8.339 -0.666 1
1 255 . 12 1 1 A 37 37 GLN HA H 37 4.241 4.203 0.038 1
1 262 . 12 1 1 A 37 37 GLN CA C 37 59.019 58.955 0.064 1
1 263 . 12 1 1 A 37 37 GLN CB C 37 28.315 28.282 0.033 1
1 265 . 12 1 1 A 37 37 GLN N N 37 120.072 118.314 1.758 1
1 266 . 12 1 1 A 38 38 GLN H H 38 8.329 8.115 0.214 1
1 267 . 12 1 1 A 38 38 GLN HA H 38 4.040 4.189 -0.149 1
1 274 . 12 1 1 A 38 38 GLN CA C 38 58.734 58.718 0.016 1
1 275 . 12 1 1 A 38 38 GLN CB C 38 28.549 28.781 -0.232 1
1 277 . 12 1 1 A 38 38 GLN N N 38 120.847 120.884 -0.037 1
1 279 . 12 1 1 A 39 39 PHE H H 39 9.453 8.329 1.124 1
1 280 . 12 1 1 A 39 39 PHE HA H 39 2.811 4.155 -1.344 1
1 286 . 12 1 1 A 39 39 PHE CA C 39 61.602 61.334 0.268 1
1 287 . 12 1 1 A 39 39 PHE CB C 39 38.799 38.822 -0.023 1
1 291 . 12 1 1 A 39 39 PHE N N 39 123.507 122.058 1.449 1
1 292 . 12 1 1 A 40 40 HIS H H 40 8.096 8.228 -0.132 1
1 293 . 12 1 1 A 40 40 HIS HA H 40 3.884 4.306 -0.422 1
1 297 . 12 1 1 A 40 40 HIS CA C 40 59.910 60.206 -0.296 1
1 298 . 12 1 1 A 40 40 HIS CB C 40 29.558 29.759 -0.201 1
1 300 . 12 1 1 A 40 40 HIS N N 40 114.319 119.057 -4.738 1
1 301 . 12 1 1 A 41 41 SER H H 41 7.818 8.172 -0.354 1
1 302 . 12 1 1 A 41 41 SER HA H 41 4.300 4.447 -0.147 1
1 305 . 12 1 1 A 41 41 SER CA C 41 60.851 61.850 -0.999 1
1 306 . 12 1 1 A 41 41 SER CB C 41 62.612 63.421 -0.809 1
1 307 . 12 1 1 A 41 41 SER N N 41 116.677 115.761 0.916 1
1 308 . 12 1 1 A 42 42 LEU H H 42 7.079 7.660 -0.581 1
1 309 . 12 1 1 A 42 42 LEU HA H 42 4.071 4.185 -0.114 1
1 319 . 12 1 1 A 42 42 LEU CA C 42 54.685 54.988 -0.303 1
1 320 . 12 1 1 A 42 42 LEU CB C 42 40.874 41.717 -0.843 1
1 324 . 12 1 1 A 42 42 LEU N N 42 121.868 118.035 3.833 1
1 325 . 12 1 1 A 43 43 LYS H H 43 7.345 7.446 -0.101 1
1 326 . 12 1 1 A 43 43 LYS HA H 43 3.877 3.910 -0.033 1
1 335 . 12 1 1 A 43 43 LYS CA C 43 56.035 56.802 -0.767 1
1 336 . 12 1 1 A 43 43 LYS CB C 43 28.886 30.450 -1.564 1
1 340 . 12 1 1 A 43 43 LYS N N 43 110.393 116.221 -5.828 1
1 341 . 12 1 1 A 44 44 PRO HA H 44 4.239 4.435 -0.196 1
1 348 . 12 1 1 A 44 44 PRO CA C 44 62.424 63.118 -0.694 1
1 349 . 12 1 1 A 44 44 PRO CB C 44 32.413 31.938 0.475 1
1 352 . 12 1 1 A 45 45 ILE H H 45 8.586 8.389 0.197 1
1 353 . 12 1 1 A 45 45 ILE HA H 45 4.337 4.219 0.118 1
1 363 . 12 1 1 A 45 45 ILE CA C 45 60.170 59.832 0.338 1
1 364 . 12 1 1 A 45 45 ILE CB C 45 39.143 39.142 0.001 1
1 368 . 12 1 1 A 45 45 ILE N N 45 120.985 123.333 -2.348 1
1 369 . 12 1 1 A 46 46 SER H H 46 9.512 8.615 0.897 1
1 370 . 12 1 1 A 46 46 SER HA H 46 4.055 3.955 0.100 1
1 373 . 12 1 1 A 46 46 SER CA C 46 58.483 60.664 -2.181 1
1 374 . 12 1 1 A 46 46 SER CB C 46 62.174 61.569 0.605 1
1 375 . 12 1 1 A 46 46 SER N N 46 124.158 121.155 3.003 1
1 376 . 12 1 1 A 47 47 GLY H H 47 8.555 7.963 0.592 1
1 377 . 12 1 1 A 47 47 GLY HA2 H 47 4.020 3.962 0.058 1
1 378 . 12 1 1 A 47 47 GLY HA3 H 47 3.531 4.072 -0.541 1
1 379 . 12 1 1 A 47 47 GLY CA C 47 44.328 45.577 -1.249 1
1 380 . 12 1 1 A 47 47 GLY N N 47 162.194 107.770 54.424 1
1 381 . 12 1 1 A 48 48 PHE H H 48 7.710 7.215 0.495 1
1 382 . 12 1 1 A 48 48 PHE HA H 48 5.783 5.259 0.524 1
1 387 . 12 1 1 A 48 48 PHE CA C 48 56.732 55.945 0.787 1
1 388 . 12 1 1 A 48 48 PHE CB C 48 43.784 41.652 2.132 1
1 391 . 12 1 1 A 48 48 PHE N N 48 115.641 115.305 0.336 1
1 392 . 12 1 1 A 49 49 ILE H H 49 9.141 8.999 0.142 1
1 393 . 12 1 1 A 49 49 ILE HA H 49 4.908 4.998 -0.090 1
1 403 . 12 1 1 A 49 49 ILE CA C 49 59.368 59.453 -0.085 1
1 404 . 12 1 1 A 49 49 ILE CB C 49 39.945 42.251 -2.306 1
1 408 . 12 1 1 A 49 49 ILE N N 49 114.692 115.833 -1.141 1
1 409 . 12 1 1 A 50 50 THR H H 50 8.700 8.315 0.385 1
1 410 . 12 1 1 A 50 50 THR HA H 50 4.473 5.035 -0.562 1
1 415 . 12 1 1 A 50 50 THR CA C 50 60.914 59.858 1.056 1
1 416 . 12 1 1 A 50 50 THR CB C 50 70.829 72.060 -1.231 1
1 418 . 12 1 1 A 50 50 THR N N 50 112.658 110.865 1.793 1
1 419 . 12 1 1 A 51 51 GLY H H 51 8.778 9.007 -0.229 1
1 420 . 12 1 1 A 51 51 GLY HA2 H 51 3.790 3.694 0.096 1
1 421 . 12 1 1 A 51 51 GLY HA3 H 51 3.713 3.771 -0.058 1
1 422 . 12 1 1 A 51 51 GLY CA C 51 48.310 47.535 0.775 1
1 423 . 12 1 1 A 51 51 GLY N N 51 108.204 109.293 -1.089 1
1 424 . 12 1 1 A 52 52 ASP H H 52 8.225 8.407 -0.182 1
1 425 . 12 1 1 A 52 52 ASP HA H 52 4.216 4.166 0.050 1
1 428 . 12 1 1 A 52 52 ASP CA C 52 57.344 57.290 0.054 1
1 429 . 12 1 1 A 52 52 ASP CB C 52 40.304 41.648 -1.344 1
1 430 . 12 1 1 A 52 52 ASP N N 52 119.404 121.398 -1.994 1
1 431 . 12 1 1 A 53 53 GLN H H 53 7.810 7.946 -0.136 1
1 432 . 12 1 1 A 53 53 GLN HA H 53 3.969 3.997 -0.028 1
1 439 . 12 1 1 A 53 53 GLN CA C 53 58.673 58.585 0.088 1
1 440 . 12 1 1 A 53 53 GLN CB C 53 29.794 28.352 1.442 1
1 442 . 12 1 1 A 53 53 GLN N N 53 118.935 117.931 1.004 1
1 444 . 12 1 1 A 54 54 ALA H H 54 8.293 7.960 0.333 1
1 445 . 12 1 1 A 54 54 ALA HA H 54 3.642 3.695 -0.053 1
1 449 . 12 1 1 A 54 54 ALA CA C 54 55.243 55.008 0.235 1
1 450 . 12 1 1 A 54 54 ALA CB C 54 19.448 17.767 1.681 1
1 451 . 12 1 1 A 54 54 ALA N N 54 120.858 122.639 -1.781 1
1 452 . 12 1 1 A 55 55 ARG H H 55 8.744 7.679 1.065 1
1 453 . 12 1 1 A 55 55 ARG HA H 55 3.795 3.806 -0.011 1
1 460 . 12 1 1 A 55 55 ARG CA C 55 60.628 58.574 2.054 1
1 461 . 12 1 1 A 55 55 ARG CB C 55 30.224 29.531 0.693 1
1 464 . 12 1 1 A 55 55 ARG N N 55 115.211 118.279 -3.068 1
1 465 . 12 1 1 A 56 56 ASN H H 56 8.056 7.922 0.134 1
1 466 . 12 1 1 A 56 56 ASN HA H 56 4.470 4.469 0.001 1
1 471 . 12 1 1 A 56 56 ASN CA C 56 56.091 56.234 -0.143 1
1 472 . 12 1 1 A 56 56 ASN CB C 56 38.069 38.952 -0.883 1
1 473 . 12 1 1 A 56 56 ASN N N 56 116.543 117.516 -0.973 1
1 475 . 12 1 1 A 57 57 PHE H H 57 7.567 8.077 -0.510 1
1 476 . 12 1 1 A 57 57 PHE HA H 57 4.517 4.264 0.253 1
1 481 . 12 1 1 A 57 57 PHE CA C 57 61.373 61.283 0.090 1
1 482 . 12 1 1 A 57 57 PHE CB C 57 39.518 38.678 0.840 1
1 485 . 12 1 1 A 57 57 PHE N N 57 121.111 120.115 0.996 1
1 486 . 12 1 1 A 58 58 PHE H H 58 8.995 8.062 0.933 1
1 487 . 12 1 1 A 58 58 PHE HA H 58 4.501 4.156 0.345 1
1 491 . 12 1 1 A 58 58 PHE CA C 58 57.190 61.508 -4.318 1
1 492 . 12 1 1 A 58 58 PHE CB C 58 37.236 38.866 -1.630 1
1 494 . 12 1 1 A 58 58 PHE N N 58 119.594 118.478 1.116 1
1 495 . 12 1 1 A 59 59 PHE H H 59 8.510 8.177 0.333 1
1 496 . 12 1 1 A 59 59 PHE HA H 59 4.296 4.196 0.100 1
1 500 . 12 1 1 A 59 59 PHE CA C 59 60.456 61.030 -0.574 1
1 501 . 12 1 1 A 59 59 PHE CB C 59 38.914 39.303 -0.389 1
1 503 . 12 1 1 A 59 59 PHE N N 59 120.834 119.148 1.686 1
1 504 . 12 1 1 A 60 60 GLN H H 60 7.652 8.555 -0.903 1
1 505 . 12 1 1 A 60 60 GLN HA H 60 4.056 3.938 0.118 1
1 512 . 12 1 1 A 60 60 GLN CA C 60 57.133 58.650 -1.517 1
1 513 . 12 1 1 A 60 60 GLN CB C 60 27.771 28.487 -0.716 1
1 515 . 12 1 1 A 60 60 GLN N N 60 116.464 118.126 -1.662 1
1 517 . 12 1 1 A 61 61 SER H H 61 7.823 7.421 0.402 1
1 518 . 12 1 1 A 61 61 SER HA H 61 3.985 4.199 -0.214 1
1 521 . 12 1 1 A 61 61 SER CA C 61 60.571 59.336 1.235 1
1 522 . 12 1 1 A 61 61 SER CB C 61 65.277 63.326 1.951 1
1 523 . 12 1 1 A 61 61 SER N N 61 113.448 112.078 1.370 1
1 524 . 12 1 1 A 62 62 GLY H H 62 7.478 7.629 -0.151 1
1 525 . 12 1 1 A 62 62 GLY HA2 H 62 4.115 3.781 0.334 1
1 526 . 12 1 1 A 62 62 GLY HA3 H 62 3.699 3.885 -0.186 1
1 527 . 12 1 1 A 62 62 GLY CA C 62 45.445 44.724 0.721 1
1 528 . 12 1 1 A 62 62 GLY N N 62 108.189 108.527 -0.338 1
1 529 . 12 1 1 A 63 63 LEU H H 63 7.282 7.742 -0.460 1
1 530 . 12 1 1 A 63 63 LEU HA H 63 4.471 4.543 -0.072 1
1 540 . 12 1 1 A 63 63 LEU CA C 63 52.971 52.204 0.767 1
1 541 . 12 1 1 A 63 63 LEU CB C 63 41.597 41.539 0.058 1
1 545 . 12 1 1 A 63 63 LEU N N 63 120.356 121.772 -1.416 1
1 546 . 12 1 1 A 64 64 PRO HA H 64 4.559 4.623 -0.064 1
1 553 . 12 1 1 A 64 64 PRO CA C 64 63.039 62.879 0.160 1
1 554 . 12 1 1 A 64 64 PRO CB C 64 33.402 32.712 0.690 1
1 557 . 12 1 1 A 65 65 GLN H H 65 9.289 9.126 0.163 1
1 558 . 12 1 1 A 65 65 GLN HA H 65 4.194 4.231 -0.037 1
1 563 . 12 1 1 A 65 65 GLN CA C 65 61.180 60.581 0.599 1
1 564 . 12 1 1 A 65 65 GLN CB C 65 25.845 26.969 -1.124 1
1 566 . 12 1 1 A 65 65 GLN N N 65 122.729 123.686 -0.957 1
1 567 . 12 1 1 A 66 66 PRO HA H 66 4.399 4.394 0.005 1
1 574 . 12 1 1 A 66 66 PRO CA C 66 65.956 65.610 0.346 1
1 575 . 12 1 1 A 66 66 PRO CB C 66 30.665 30.909 -0.244 1
1 578 . 12 1 1 A 67 67 VAL H H 67 6.875 6.975 -0.100 1
1 579 . 12 1 1 A 67 67 VAL HA H 67 3.930 3.830 0.100 1
1 587 . 12 1 1 A 67 67 VAL CA C 67 64.811 65.141 -0.330 1
1 588 . 12 1 1 A 67 67 VAL CB C 67 31.581 31.411 0.170 1
1 591 . 12 1 1 A 67 67 VAL N N 67 117.350 116.691 0.659 1
1 592 . 12 1 1 A 68 68 LEU H H 68 7.965 8.328 -0.363 1
1 593 . 12 1 1 A 68 68 LEU HA H 68 3.955 3.944 0.011 1
1 603 . 12 1 1 A 68 68 LEU CA C 68 57.878 57.840 0.038 1
1 604 . 12 1 1 A 68 68 LEU CB C 68 40.821 41.696 -0.875 1
1 608 . 12 1 1 A 68 68 LEU N N 68 119.980 120.052 -0.072 1
1 609 . 12 1 1 A 69 69 ALA H H 69 8.577 9.000 -0.423 1
1 610 . 12 1 1 A 69 69 ALA HA H 69 4.375 4.229 0.146 1
1 614 . 12 1 1 A 69 69 ALA CA C 69 55.128 55.418 -0.290 1
1 615 . 12 1 1 A 69 69 ALA CB C 69 17.533 18.587 -1.054 1
1 616 . 12 1 1 A 69 69 ALA N N 69 122.731 121.176 1.555 1
1 617 . 12 1 1 A 70 70 GLN H H 70 7.534 8.118 -0.584 1
1 618 . 12 1 1 A 70 70 GLN HA H 70 4.190 3.970 0.220 1
1 625 . 12 1 1 A 70 70 GLN CA C 70 58.623 59.186 -0.563 1
1 626 . 12 1 1 A 70 70 GLN CB C 70 28.349 28.143 0.206 1
1 628 . 12 1 1 A 70 70 GLN N N 70 120.846 117.566 3.280 1
1 630 . 12 1 1 A 71 71 ILE H H 71 8.170 7.789 0.381 1
1 631 . 12 1 1 A 71 71 ILE HA H 71 3.455 3.585 -0.130 1
1 641 . 12 1 1 A 71 71 ILE CA C 71 66.530 65.405 1.125 1
1 642 . 12 1 1 A 71 71 ILE CB C 71 37.768 37.405 0.363 1
1 646 . 12 1 1 A 71 71 ILE N N 71 120.351 119.812 0.539 1
1 647 . 12 1 1 A 72 72 TRP H H 72 8.473 8.386 0.087 1
1 648 . 12 1 1 A 72 72 TRP HA H 72 3.845 4.292 -0.447 1
1 657 . 12 1 1 A 72 72 TRP CA C 72 61.144 61.064 0.080 1
1 658 . 12 1 1 A 72 72 TRP CB C 72 28.496 29.341 -0.845 1
1 664 . 12 1 1 A 72 72 TRP N N 72 119.417 121.514 -2.097 1
1 666 . 12 1 1 A 73 73 ALA H H 73 7.647 8.735 -1.088 1
1 667 . 12 1 1 A 73 73 ALA HA H 73 4.012 3.888 0.124 1
1 671 . 12 1 1 A 73 73 ALA CA C 73 54.154 54.966 -0.812 1
1 672 . 12 1 1 A 73 73 ALA CB C 73 18.059 18.016 0.043 1
1 673 . 12 1 1 A 73 73 ALA N N 73 116.148 122.013 -5.865 1
1 674 . 12 1 1 A 74 74 LEU H H 74 7.493 7.895 -0.402 1
1 675 . 12 1 1 A 74 74 LEU HA H 74 3.947 4.018 -0.071 1
1 685 . 12 1 1 A 74 74 LEU CA C 74 56.478 58.007 -1.529 1
1 686 . 12 1 1 A 74 74 LEU CB C 74 43.726 41.720 2.006 1
1 690 . 12 1 1 A 74 74 LEU N N 74 115.647 120.463 -4.816 1
1 691 . 12 1 1 A 75 75 ALA H H 75 7.952 8.497 -0.545 1
1 692 . 12 1 1 A 75 75 ALA HA H 75 4.019 4.167 -0.148 1
1 696 . 12 1 1 A 75 75 ALA CA C 75 53.982 55.442 -1.460 1
1 697 . 12 1 1 A 75 75 ALA CB C 75 19.913 18.466 1.447 1
1 698 . 12 1 1 A 75 75 ALA N N 75 118.000 121.100 -3.100 1
1 699 . 12 1 1 A 76 76 ASP H H 76 7.798 8.124 -0.326 1
1 700 . 12 1 1 A 76 76 ASP HA H 76 4.587 4.654 -0.067 1
1 703 . 12 1 1 A 76 76 ASP CA C 76 51.849 53.337 -1.488 1
1 704 . 12 1 1 A 76 76 ASP CB C 76 36.265 39.705 -3.440 1
1 705 . 12 1 1 A 76 76 ASP N N 76 114.297 116.712 -2.415 1
1 706 . 12 1 1 A 77 77 MET H H 77 8.077 8.263 -0.186 1
1 707 . 12 1 1 A 77 77 MET HA H 77 3.867 4.139 -0.272 1
1 715 . 12 1 1 A 77 77 MET CA C 77 59.024 58.569 0.455 1
1 716 . 12 1 1 A 77 77 MET CB C 77 34.550 31.830 2.720 1
1 719 . 12 1 1 A 77 77 MET N N 77 123.959 123.281 0.678 1
1 720 . 12 1 1 A 78 78 ASN H H 78 7.801 7.779 0.022 1
1 721 . 12 1 1 A 78 78 ASN HA H 78 4.839 4.774 0.065 1
1 726 . 12 1 1 A 78 78 ASN CA C 78 50.889 52.939 -2.050 1
1 727 . 12 1 1 A 78 78 ASN CB C 78 37.028 38.385 -1.357 1
1 728 . 12 1 1 A 78 78 ASN N N 78 112.247 114.743 -2.496 1
1 730 . 12 1 1 A 79 79 ASN H H 79 8.019 7.962 0.057 1
1 731 . 12 1 1 A 79 79 ASN HA H 79 4.380 4.251 0.129 1
1 736 . 12 1 1 A 79 79 ASN CA C 79 54.319 53.917 0.402 1
1 737 . 12 1 1 A 79 79 ASN CB C 79 37.867 36.996 0.871 1
1 738 . 12 1 1 A 79 79 ASN N N 79 116.050 116.283 -0.233 1
1 740 . 12 1 1 A 80 80 ASP H H 80 8.019 8.254 -0.235 1
1 741 . 12 1 1 A 80 80 ASP HA H 80 4.784 4.620 0.164 1
1 744 . 12 1 1 A 80 80 ASP CA C 80 52.672 54.657 -1.985 1
1 745 . 12 1 1 A 80 80 ASP CB C 80 41.585 41.471 0.114 1
1 746 . 12 1 1 A 80 80 ASP N N 80 115.620 120.674 -5.054 1
1 747 . 12 1 1 A 81 81 GLY H H 81 10.345 8.404 1.941 1
1 748 . 12 1 1 A 81 81 GLY HA2 H 81 4.339 4.196 0.143 1
1 749 . 12 1 1 A 81 81 GLY HA3 H 81 4.044 4.383 -0.339 1
1 750 . 12 1 1 A 81 81 GLY CA C 81 46.560 45.776 0.784 1
1 751 . 12 1 1 A 81 81 GLY N N 81 112.191 107.218 4.973 1
1 752 . 12 1 1 A 82 82 ARG H H 82 8.365 8.370 -0.005 1
1 753 . 12 1 1 A 82 82 ARG HA H 82 5.105 4.614 0.491 1
1 760 . 12 1 1 A 82 82 ARG CA C 82 53.982 55.646 -1.664 1
1 761 . 12 1 1 A 82 82 ARG CB C 82 33.303 33.189 0.114 1
1 764 . 12 1 1 A 82 82 ARG N N 82 117.518 118.821 -1.303 1
1 765 . 12 1 1 A 83 83 MET H H 83 9.038 8.251 0.787 1
1 766 . 12 1 1 A 83 83 MET HA H 83 6.142 4.716 1.426 1
1 774 . 12 1 1 A 83 83 MET CA C 83 55.586 57.377 -1.791 1
1 775 . 12 1 1 A 83 83 MET CB C 83 38.610 31.865 6.745 1
1 778 . 12 1 1 A 83 83 MET N N 83 120.510 117.438 3.072 1
1 779 . 12 1 1 A 84 84 ASP H H 84 7.586 8.432 -0.846 1
1 780 . 12 1 1 A 84 84 ASP HA H 84 5.259 4.976 0.283 1
1 783 . 12 1 1 A 84 84 ASP CA C 84 51.182 51.994 -0.812 1
1 784 . 12 1 1 A 84 84 ASP CB C 84 42.047 43.731 -1.684 1
1 785 . 12 1 1 A 84 84 ASP N N 84 122.321 122.661 -0.340 1
1 786 . 12 1 1 A 85 85 GLN H H 85 7.988 8.632 -0.644 1
1 787 . 12 1 1 A 85 85 GLN HA H 85 2.609 4.236 -1.627 1
1 794 . 12 1 1 A 85 85 GLN CA C 85 58.909 58.553 0.356 1
1 795 . 12 1 1 A 85 85 GLN CB C 85 29.346 28.149 1.197 1
1 797 . 12 1 1 A 85 85 GLN N N 85 115.617 122.072 -6.455 1
1 799 . 12 1 1 A 86 86 VAL H H 86 7.357 7.940 -0.583 1
1 800 . 12 1 1 A 86 86 VAL HA H 86 3.557 3.603 -0.046 1
1 808 . 12 1 1 A 86 86 VAL CA C 86 66.117 66.543 -0.426 1
1 809 . 12 1 1 A 86 86 VAL CB C 86 31.538 31.820 -0.282 1
1 812 . 12 1 1 A 86 86 VAL N N 86 120.551 121.072 -0.521 1
1 813 . 12 1 1 A 87 87 GLU H H 87 8.375 8.213 0.162 1
1 814 . 12 1 1 A 87 87 GLU HA H 87 3.908 4.168 -0.260 1
1 819 . 12 1 1 A 87 87 GLU CA C 87 59.424 59.506 -0.082 1
1 820 . 12 1 1 A 87 87 GLU CB C 87 31.466 29.472 1.994 1
1 822 . 12 1 1 A 87 87 GLU N N 87 119.417 119.274 0.143 1
1 823 . 12 1 1 A 88 88 PHE H H 88 8.482 8.650 -0.168 1
1 824 . 12 1 1 A 88 88 PHE HA H 88 4.427 4.176 0.251 1
1 828 . 12 1 1 A 88 88 PHE CA C 88 62.061 61.408 0.653 1
1 829 . 12 1 1 A 88 88 PHE CB C 88 40.726 38.970 1.756 1
1 831 . 12 1 1 A 88 88 PHE N N 88 117.094 122.911 -5.817 1
1 832 . 12 1 1 A 89 89 SER H H 89 7.490 8.209 -0.719 1
1 833 . 12 1 1 A 89 89 SER HA H 89 4.763 4.372 0.391 1
1 836 . 12 1 1 A 89 89 SER CA C 89 59.783 61.520 -1.737 1
1 837 . 12 1 1 A 89 89 SER CB C 89 59.544 63.204 -3.660 1
1 838 . 12 1 1 A 89 89 SER N N 89 113.424 113.765 -0.341 1
1 839 . 12 1 1 A 90 90 ILE H H 90 8.034 7.762 0.272 1
1 840 . 12 1 1 A 90 90 ILE HA H 90 3.506 3.976 -0.470 1
1 850 . 12 1 1 A 90 90 ILE CA C 90 66.098 63.394 2.704 1
1 851 . 12 1 1 A 90 90 ILE CB C 90 37.905 37.766 0.139 1
1 855 . 12 1 1 A 90 90 ILE N N 90 118.472 121.445 -2.973 1
1 856 . 12 1 1 A 91 91 ALA H H 91 8.197 8.062 0.135 1
1 857 . 12 1 1 A 91 91 ALA HA H 91 4.286 4.053 0.233 1
1 861 . 12 1 1 A 91 91 ALA CA C 91 52.435 55.236 -2.801 1
1 862 . 12 1 1 A 91 91 ALA CB C 91 19.091 17.909 1.182 1
1 863 . 12 1 1 A 91 91 ALA N N 91 119.275 124.005 -4.730 1
1 864 . 12 1 1 A 92 92 MET H H 92 8.183 7.755 0.428 1
1 865 . 12 1 1 A 92 92 MET HA H 92 4.268 3.920 0.348 1
1 870 . 12 1 1 A 92 92 MET CA C 92 55.643 58.236 -2.593 1
1 871 . 12 1 1 A 92 92 MET CB C 92 29.521 32.018 -2.497 1
1 873 . 12 1 1 A 92 92 MET N N 92 118.681 118.541 0.140 1
1 874 . 12 1 1 A 93 93 LYS H H 93 8.172 7.928 0.244 1
1 875 . 12 1 1 A 93 93 LYS HA H 93 4.006 4.140 -0.134 1
1 878 . 12 1 1 A 93 93 LYS CA C 93 56.840 59.242 -2.402 1
1 879 . 12 1 1 A 93 93 LYS CB C 93 32.830 32.317 0.513 1
1 880 . 12 1 1 A 93 93 LYS N N 93 120.362 120.048 0.314 1
1 881 . 12 1 1 A 94 94 LEU H H 94 8.017 7.581 0.436 1
1 882 . 12 1 1 A 94 94 LEU HA H 94 3.884 4.099 -0.215 1
1 892 . 12 1 1 A 94 94 LEU CA C 94 58.234 58.080 0.154 1
1 893 . 12 1 1 A 94 94 LEU CB C 94 42.050 41.382 0.668 1
1 897 . 12 1 1 A 94 94 LEU N N 94 114.192 119.026 -4.834 1
1 898 . 12 1 1 A 95 95 ILE H H 95 8.377 7.752 0.625 1
1 899 . 12 1 1 A 95 95 ILE HA H 95 3.254 3.503 -0.249 1
1 909 . 12 1 1 A 95 95 ILE CA C 95 66.013 65.770 0.243 1
1 910 . 12 1 1 A 95 95 ILE CB C 95 38.284 37.718 0.566 1
1 914 . 12 1 1 A 95 95 ILE N N 95 118.949 120.377 -1.428 1
1 915 . 12 1 1 A 96 96 LYS H H 96 7.751 7.525 0.226 1
1 916 . 12 1 1 A 96 96 LYS HA H 96 3.928 3.963 -0.035 1
1 925 . 12 1 1 A 96 96 LYS CA C 96 59.701 60.000 -0.299 1
1 926 . 12 1 1 A 96 96 LYS CB C 96 32.286 32.189 0.097 1
1 930 . 12 1 1 A 96 96 LYS N N 96 119.637 119.235 0.402 1
1 931 . 12 1 1 A 97 97 LEU H H 97 8.382 8.598 -0.216 1
1 932 . 12 1 1 A 97 97 LEU HA H 97 4.006 4.004 0.002 1
1 942 . 12 1 1 A 97 97 LEU CA C 97 57.363 58.286 -0.923 1
1 943 . 12 1 1 A 97 97 LEU CB C 97 40.459 41.630 -1.171 1
1 947 . 12 1 1 A 97 97 LEU N N 97 117.727 121.283 -3.556 1
1 948 . 12 1 1 A 98 98 LYS H H 98 8.761 8.125 0.636 1
1 949 . 12 1 1 A 98 98 LYS HA H 98 4.548 4.132 0.416 1
1 958 . 12 1 1 A 98 98 LYS CA C 98 57.477 59.246 -1.769 1
1 959 . 12 1 1 A 98 98 LYS CB C 98 31.294 31.655 -0.361 1
1 963 . 12 1 1 A 98 98 LYS N N 98 122.255 118.451 3.804 1
1 964 . 12 1 1 A 99 99 LEU H H 99 8.798 7.963 0.835 1
1 965 . 12 1 1 A 99 99 LEU HA H 99 4.100 4.148 -0.048 1
1 975 . 12 1 1 A 99 99 LEU CA C 99 57.878 55.903 1.975 1
1 976 . 12 1 1 A 99 99 LEU CB C 99 41.605 41.830 -0.225 1
1 980 . 12 1 1 A 99 99 LEU N N 99 122.214 119.179 3.035 1
1 981 . 12 1 1 A 100 100 GLN H H 100 7.749 7.516 0.233 1
1 982 . 12 1 1 A 100 100 GLN HA H 100 4.285 4.342 -0.057 1
1 989 . 12 1 1 A 100 100 GLN CA C 100 56.503 55.802 0.701 1
1 990 . 12 1 1 A 100 100 GLN CB C 100 29.576 29.582 -0.006 1
1 992 . 12 1 1 A 100 100 GLN N N 100 116.914 116.697 0.217 1
1 993 . 12 1 1 A 101 101 GLY H H 101 7.910 7.839 0.071 1
1 994 . 12 1 1 A 101 101 GLY HA2 H 101 4.262 3.773 0.489 1
1 995 . 12 1 1 A 101 101 GLY HA3 H 101 3.661 3.882 -0.221 1
1 996 . 12 1 1 A 101 101 GLY CA C 101 44.884 45.866 -0.982 1
1 997 . 12 1 1 A 101 101 GLY N N 101 106.044 107.243 -1.199 1
1 998 . 12 1 1 A 102 102 TYR H H 102 8.078 7.924 0.154 1
1 999 . 12 1 1 A 102 102 TYR HA H 102 4.311 5.050 -0.739 1
1 1006 . 12 1 1 A 102 102 TYR CA C 102 59.253 56.422 2.831 1
1 1007 . 12 1 1 A 102 102 TYR CB C 102 37.849 43.121 -5.272 1
1 1010 . 12 1 1 A 102 102 TYR N N 102 120.876 118.588 2.288 1
1 1011 . 12 1 1 A 103 103 GLN H H 103 8.610 9.092 -0.482 1
1 1012 . 12 1 1 A 103 103 GLN HA H 103 4.280 5.369 -1.089 1
1 1015 . 12 1 1 A 103 103 GLN CA C 103 56.620 53.713 2.907 1
1 1016 . 12 1 1 A 103 103 GLN CB C 103 29.100 33.518 -4.418 1
1 1017 . 12 1 1 A 103 103 GLN N N 103 119.785 118.530 1.255 1
1 1018 . 12 1 1 A 105 105 PRO HA H 105 4.631 4.767 -0.136 1
1 1025 . 12 1 1 A 105 105 PRO CA C 105 61.602 62.062 -0.460 1
1 1026 . 12 1 1 A 105 105 PRO CB C 105 31.690 33.294 -1.604 1
1 1029 . 12 1 1 A 106 106 SER H H 106 8.485 8.782 -0.297 1
1 1030 . 12 1 1 A 106 106 SER HA H 106 4.183 4.441 -0.258 1
1 1033 . 12 1 1 A 106 106 SER CA C 106 59.525 59.282 0.243 1
1 1034 . 12 1 1 A 106 106 SER CB C 106 63.078 63.441 -0.363 1
1 1035 . 12 1 1 A 106 106 SER N N 106 112.361 115.300 -2.939 1
1 1036 . 12 1 1 A 107 107 ALA H H 107 7.410 7.511 -0.101 1
1 1037 . 12 1 1 A 107 107 ALA HA H 107 4.308 4.672 -0.364 1
1 1041 . 12 1 1 A 107 107 ALA CA C 107 50.086 50.211 -0.125 1
1 1042 . 12 1 1 A 107 107 ALA CB C 107 21.253 20.824 0.429 1
1 1043 . 12 1 1 A 107 107 ALA N N 107 121.311 123.867 -2.556 1
1 1044 . 12 1 1 A 108 108 LEU H H 108 8.915 8.831 0.084 1
1 1045 . 12 1 1 A 108 108 LEU HA H 108 4.020 4.598 -0.578 1
1 1055 . 12 1 1 A 108 108 LEU CA C 108 52.990 52.347 0.643 1
1 1056 . 12 1 1 A 108 108 LEU CB C 108 42.041 40.989 1.052 1
1 1060 . 12 1 1 A 108 108 LEU N N 108 122.607 124.384 -1.777 1
1 1061 . 12 1 1 A 110 110 PRO HA H 110 4.024 4.386 -0.362 1
1 1068 . 12 1 1 A 110 110 PRO CA C 110 65.440 64.362 1.078 1
1 1069 . 12 1 1 A 110 110 PRO CB C 110 31.638 31.708 -0.070 1
1 1072 . 12 1 1 A 111 111 VAL H H 111 8.118 7.365 0.753 1
1 1073 . 12 1 1 A 111 111 VAL HA H 111 3.986 3.889 0.097 1
1 1081 . 12 1 1 A 111 111 VAL CA C 111 63.779 65.201 -1.422 1
1 1082 . 12 1 1 A 111 111 VAL CB C 111 31.065 31.762 -0.697 1
1 1085 . 12 1 1 A 111 111 VAL N N 111 115.605 116.260 -0.655 1
1 1086 . 12 1 1 A 112 112 MET H H 112 7.908 8.048 -0.140 1
1 1087 . 12 1 1 A 112 112 MET HA H 112 4.160 4.313 -0.153 1
1 1095 . 12 1 1 A 112 112 MET CA C 112 59.098 57.919 1.179 1
1 1096 . 12 1 1 A 112 112 MET CB C 112 34.024 32.187 1.837 1
1 1099 . 12 1 1 A 112 112 MET N N 112 118.943 117.654 1.289 1
1 1100 . 12 1 1 A 113 113 LYS H H 113 7.330 7.258 0.072 1
1 1101 . 12 1 1 A 113 113 LYS HA H 113 4.182 4.325 -0.143 1
1 1110 . 12 1 1 A 113 113 LYS CA C 113 55.987 56.184 -0.197 1
1 1111 . 12 1 1 A 113 113 LYS CB C 113 32.841 31.947 0.894 1
1 1115 . 12 1 1 A 113 113 LYS N N 113 112.617 115.362 -2.745 1
1 1116 . 12 1 1 A 114 114 GLN H H 114 7.114 8.030 -0.916 1
1 1117 . 12 1 1 A 114 114 GLN HA H 114 4.309 4.382 -0.073 1
1 1124 . 12 1 1 A 114 114 GLN CA C 114 54.956 58.186 -3.230 1
1 1125 . 12 1 1 A 114 114 GLN CB C 114 29.241 27.716 1.525 1
1 1127 . 12 1 1 A 114 114 GLN N N 114 117.852 115.792 2.060 1
1 1129 . 12 1 1 A 115 115 GLN H H 115 8.556 8.531 0.025 1
1 1130 . 12 1 1 A 115 115 GLN HA H 115 4.501 4.701 -0.200 1
1 1137 . 12 1 1 A 115 115 GLN CA C 115 53.858 52.882 0.976 1
1 1138 . 12 1 1 A 115 115 GLN CB C 115 28.234 29.958 -1.724 1
1 1140 . 12 1 1 A 115 115 GLN N N 115 123.195 122.283 0.912 1
1 1142 . 12 1 1 A 116 116 PRO HA H 116 4.530 4.471 0.059 1
1 1149 . 12 1 1 A 116 116 PRO CA C 116 63.050 63.201 -0.151 1
1 1150 . 12 1 1 A 116 116 PRO CB C 116 31.953 31.830 0.123 1
1 1153 . 12 1 1 A 117 117 VAL H H 117 8.345 8.445 -0.100 1
1 1154 . 12 1 1 A 117 117 VAL HA H 117 4.167 4.555 -0.388 1
1 1162 . 12 1 1 A 117 117 VAL CA C 117 61.258 60.954 0.304 1
1 1163 . 12 1 1 A 117 117 VAL CB C 117 33.724 33.262 0.462 1
1 1166 . 12 1 1 A 117 117 VAL N N 117 120.361 122.983 -2.622 1
1 1167 . 12 1 1 A 118 118 ALA H H 118 8.470 8.862 -0.392 1
1 1168 . 12 1 1 A 118 118 ALA HA H 118 4.452 4.876 -0.424 1
1 1172 . 12 1 1 A 118 118 ALA CA C 118 51.678 51.944 -0.266 1
1 1173 . 12 1 1 A 118 118 ALA CB C 118 19.260 23.137 -3.877 1
1 1174 . 12 1 1 A 118 118 ALA N N 118 128.412 129.536 -1.124 1
1 1175 . 12 1 1 A 119 119 ILE H H 119 8.250 8.909 -0.659 1
1 1176 . 12 1 1 A 119 119 ILE HA H 119 4.240 4.370 -0.130 1
1 1186 . 12 1 1 A 119 119 ILE CA C 119 60.743 61.079 -0.336 1
1 1187 . 12 1 1 A 119 119 ILE CB C 119 38.914 36.836 2.078 1
1 1191 . 12 1 1 A 119 119 ILE N N 119 120.929 123.869 -2.940 1
1 1192 . 12 1 1 A 120 120 SER H H 120 8.413 8.767 -0.354 1
1 1193 . 12 1 1 A 120 120 SER HA H 120 4.543 4.790 -0.247 1
1 1196 . 12 1 1 A 120 120 SER CA C 120 57.878 59.595 -1.717 1
1 1197 . 12 1 1 A 120 120 SER CB C 120 63.951 65.407 -1.456 1
1 1198 . 12 1 1 A 120 120 SER N N 120 120.494 122.782 -2.288 1
1 1 . 13 1 1 A 12 12 ALA H H 12 8.223 8.974 -0.751 1
1 2 . 13 1 1 A 12 12 ALA HA H 12 4.220 5.378 -1.158 1
1 6 . 13 1 1 A 12 12 ALA CA C 12 52.323 49.759 2.564 1
1 7 . 13 1 1 A 12 12 ALA CB C 12 19.015 22.692 -3.677 1
1 8 . 13 1 1 A 12 12 ALA N N 12 124.624 123.215 1.409 1
1 9 . 13 1 1 A 13 13 GLN H H 13 8.220 8.566 -0.346 1
1 10 . 13 1 1 A 13 13 GLN HA H 13 4.292 4.997 -0.705 1
1 13 . 13 1 1 A 13 13 GLN CA C 13 55.457 54.200 1.257 1
1 14 . 13 1 1 A 13 13 GLN CB C 13 29.804 31.800 -1.996 1
1 15 . 13 1 1 A 13 13 GLN N N 13 119.119 121.916 -2.797 1
1 16 . 13 1 1 A 14 14 PHE H H 14 8.109 8.750 -0.641 1
1 17 . 13 1 1 A 14 14 PHE HA H 14 4.559 4.987 -0.428 1
1 20 . 13 1 1 A 14 14 PHE CA C 14 58.250 54.852 3.398 1
1 21 . 13 1 1 A 14 14 PHE CB C 14 39.950 39.870 0.080 1
1 22 . 13 1 1 A 14 14 PHE N N 14 121.712 121.468 0.244 1
1 23 . 13 1 1 A 15 15 PRO HA H 15 4.492 4.488 0.004 1
1 30 . 13 1 1 A 15 15 PRO CA C 15 63.047 63.058 -0.011 1
1 31 . 13 1 1 A 15 15 PRO CB C 15 31.810 32.459 -0.649 1
1 34 . 13 1 1 A 16 16 THR H H 16 8.197 8.375 -0.178 1
1 35 . 13 1 1 A 16 16 THR HA H 16 4.614 4.628 -0.014 1
1 40 . 13 1 1 A 16 16 THR CA C 16 59.526 59.760 -0.234 1
1 41 . 13 1 1 A 16 16 THR CB C 16 69.603 69.530 0.073 1
1 43 . 13 1 1 A 16 16 THR N N 16 115.700 112.915 2.785 1
1 44 . 13 1 1 A 17 17 PRO HA H 17 4.360 4.173 0.187 1
1 51 . 13 1 1 A 17 17 PRO CA C 17 63.321 63.537 -0.216 1
1 52 . 13 1 1 A 17 17 PRO CB C 17 31.680 31.794 -0.114 1
1 55 . 13 1 1 A 18 18 PHE H H 18 8.212 8.308 -0.096 1
1 56 . 13 1 1 A 18 18 PHE HA H 18 4.589 3.971 0.618 1
1 64 . 13 1 1 A 18 18 PHE CA C 18 57.648 58.140 -0.492 1
1 65 . 13 1 1 A 18 18 PHE CB C 18 39.165 36.834 2.331 1
1 69 . 13 1 1 A 18 18 PHE N N 18 119.185 116.193 2.992 1
1 70 . 13 1 1 A 19 19 GLY H H 19 8.250 8.214 0.036 1
1 71 . 13 1 1 A 19 19 GLY HA2 H 19 3.943 4.233 -0.290 1
1 72 . 13 1 1 A 19 19 GLY HA3 H 19 3.935 4.250 -0.315 1
1 73 . 13 1 1 A 19 19 GLY CA C 19 45.100 44.864 0.236 1
1 74 . 13 1 1 A 19 19 GLY N N 19 110.566 108.366 2.200 1
1 75 . 13 1 1 A 20 20 GLY H H 20 7.873 8.501 -0.628 1
1 76 . 13 1 1 A 20 20 GLY HA2 H 20 3.964 4.246 -0.282 1
1 77 . 13 1 1 A 20 20 GLY HA3 H 20 3.955 4.251 -0.296 1
1 78 . 13 1 1 A 20 20 GLY CA C 20 45.056 45.762 -0.706 1
1 79 . 13 1 1 A 20 20 GLY N N 20 108.171 111.813 -3.642 1
1 80 . 13 1 1 A 21 21 SER H H 21 8.274 8.422 -0.148 1
1 81 . 13 1 1 A 21 21 SER HA H 21 4.523 4.848 -0.325 1
1 84 . 13 1 1 A 21 21 SER CA C 21 57.951 58.459 -0.508 1
1 85 . 13 1 1 A 21 21 SER CB C 21 63.946 64.257 -0.311 1
1 86 . 13 1 1 A 21 21 SER N N 21 115.180 118.515 -3.335 1
1 87 . 13 1 1 A 22 22 LEU H H 22 8.435 8.552 -0.117 1
1 88 . 13 1 1 A 22 22 LEU HA H 22 4.302 4.895 -0.593 1
1 98 . 13 1 1 A 22 22 LEU CA C 22 55.846 53.363 2.483 1
1 99 . 13 1 1 A 22 22 LEU CB C 22 42.229 44.069 -1.840 1
1 103 . 13 1 1 A 22 22 LEU N N 22 123.998 122.619 1.379 1
1 104 . 13 1 1 A 23 23 ASP H H 23 8.291 8.811 -0.520 1
1 105 . 13 1 1 A 23 23 ASP HA H 23 4.494 4.827 -0.333 1
1 108 . 13 1 1 A 23 23 ASP CA C 23 54.981 53.725 1.256 1
1 109 . 13 1 1 A 23 23 ASP CB C 23 41.190 40.179 1.011 1
1 110 . 13 1 1 A 23 23 ASP N N 23 120.385 120.398 -0.013 1
1 111 . 13 1 1 A 24 24 THR H H 24 8.010 7.726 0.284 1
1 112 . 13 1 1 A 24 24 THR HA H 24 3.770 3.608 0.162 1
1 117 . 13 1 1 A 24 24 THR CA C 24 64.590 66.491 -1.901 1
1 118 . 13 1 1 A 24 24 THR CB C 24 69.620 68.632 0.988 1
1 120 . 13 1 1 A 24 24 THR N N 24 117.799 115.772 2.027 1
1 121 . 13 1 1 A 25 25 TRP H H 25 7.780 7.942 -0.162 1
1 122 . 13 1 1 A 25 25 TRP HA H 25 4.012 4.508 -0.496 1
1 131 . 13 1 1 A 25 25 TRP CA C 25 57.837 58.513 -0.676 1
1 132 . 13 1 1 A 25 25 TRP CB C 25 28.842 30.129 -1.287 1
1 138 . 13 1 1 A 25 25 TRP N N 25 118.659 117.472 1.187 1
1 140 . 13 1 1 A 26 26 ALA H H 26 7.101 7.543 -0.442 1
1 141 . 13 1 1 A 26 26 ALA HA H 26 3.949 4.331 -0.382 1
1 145 . 13 1 1 A 26 26 ALA CA C 26 52.102 52.813 -0.711 1
1 146 . 13 1 1 A 26 26 ALA CB C 26 18.840 19.268 -0.428 1
1 147 . 13 1 1 A 26 26 ALA N N 26 117.054 121.714 -4.660 1
1 148 . 13 1 1 A 27 27 ILE H H 27 8.687 8.688 -0.001 1
1 149 . 13 1 1 A 27 27 ILE HA H 27 4.332 4.439 -0.107 1
1 159 . 13 1 1 A 27 27 ILE CA C 27 61.430 60.785 0.645 1
1 160 . 13 1 1 A 27 27 ILE CB C 27 38.550 37.752 0.798 1
1 164 . 13 1 1 A 27 27 ILE N N 27 125.107 123.343 1.764 1
1 165 . 13 1 1 A 28 28 THR H H 28 8.981 8.580 0.401 1
1 166 . 13 1 1 A 28 28 THR HA H 28 4.760 4.377 0.383 1
1 171 . 13 1 1 A 28 28 THR CA C 28 60.685 62.663 -1.978 1
1 172 . 13 1 1 A 28 28 THR CB C 28 71.252 69.281 1.971 1
1 174 . 13 1 1 A 28 28 THR N N 28 118.938 123.267 -4.329 1
1 175 . 13 1 1 A 29 29 VAL H H 29 8.612 8.691 -0.079 1
1 176 . 13 1 1 A 29 29 VAL HA H 29 3.532 3.895 -0.363 1
1 184 . 13 1 1 A 29 29 VAL CA C 29 66.349 65.334 1.015 1
1 185 . 13 1 1 A 29 29 VAL CB C 29 31.799 31.721 0.078 1
1 188 . 13 1 1 A 29 29 VAL N N 29 119.411 126.165 -6.754 1
1 189 . 13 1 1 A 30 30 GLU H H 30 8.432 8.215 0.217 1
1 190 . 13 1 1 A 30 30 GLU HA H 30 4.011 4.053 -0.042 1
1 195 . 13 1 1 A 30 30 GLU CA C 30 59.597 59.664 -0.067 1
1 196 . 13 1 1 A 30 30 GLU CB C 30 28.912 29.363 -0.451 1
1 198 . 13 1 1 A 30 30 GLU N N 30 119.890 122.925 -3.035 1
1 199 . 13 1 1 A 31 31 GLU H H 31 7.737 8.261 -0.524 1
1 200 . 13 1 1 A 31 31 GLU HA H 31 3.604 4.149 -0.545 1
1 205 . 13 1 1 A 31 31 GLU CA C 31 58.718 58.672 0.046 1
1 206 . 13 1 1 A 31 31 GLU CB C 31 30.666 29.291 1.375 1
1 208 . 13 1 1 A 31 31 GLU N N 31 120.821 120.326 0.495 1
1 209 . 13 1 1 A 32 32 ARG H H 32 8.382 8.464 -0.082 1
1 210 . 13 1 1 A 32 32 ARG HA H 32 3.998 3.992 0.006 1
1 213 . 13 1 1 A 32 32 ARG CA C 32 57.356 58.944 -1.588 1
1 214 . 13 1 1 A 32 32 ARG CB C 32 28.870 30.022 -1.152 1
1 215 . 13 1 1 A 32 32 ARG N N 32 117.523 120.577 -3.054 1
1 216 . 13 1 1 A 33 33 ALA H H 33 7.919 7.905 0.014 1
1 217 . 13 1 1 A 33 33 ALA HA H 33 4.248 4.315 -0.067 1
1 221 . 13 1 1 A 33 33 ALA CA C 33 55.007 54.198 0.809 1
1 222 . 13 1 1 A 33 33 ALA CB C 33 17.601 18.996 -1.395 1
1 223 . 13 1 1 A 33 33 ALA N N 33 119.982 121.646 -1.664 1
1 224 . 13 1 1 A 34 34 LYS H H 34 7.212 7.923 -0.711 1
1 225 . 13 1 1 A 34 34 LYS HA H 34 4.194 4.165 0.029 1
1 234 . 13 1 1 A 34 34 LYS CA C 34 58.852 59.106 -0.254 1
1 235 . 13 1 1 A 34 34 LYS CB C 34 31.598 31.898 -0.300 1
1 239 . 13 1 1 A 34 34 LYS N N 34 119.567 119.285 0.282 1
1 240 . 13 1 1 A 35 35 HIS H H 35 8.814 8.126 0.688 1
1 241 . 13 1 1 A 35 35 HIS HA H 35 4.923 4.486 0.437 1
1 244 . 13 1 1 A 35 35 HIS CA C 35 57.821 59.202 -1.381 1
1 245 . 13 1 1 A 35 35 HIS CB C 35 29.950 28.751 1.199 1
1 246 . 13 1 1 A 35 35 HIS N N 35 122.252 117.683 4.569 1
1 247 . 13 1 1 A 36 36 ASP H H 36 9.292 8.438 0.854 1
1 248 . 13 1 1 A 36 36 ASP HA H 36 4.454 3.956 0.498 1
1 251 . 13 1 1 A 36 36 ASP CA C 36 57.305 57.644 -0.339 1
1 252 . 13 1 1 A 36 36 ASP CB C 36 39.889 41.010 -1.121 1
1 253 . 13 1 1 A 36 36 ASP N N 36 118.831 122.247 -3.416 1
1 254 . 13 1 1 A 37 37 GLN H H 37 7.673 8.107 -0.434 1
1 255 . 13 1 1 A 37 37 GLN HA H 37 4.241 4.032 0.209 1
1 262 . 13 1 1 A 37 37 GLN CA C 37 59.019 59.428 -0.409 1
1 263 . 13 1 1 A 37 37 GLN CB C 37 28.315 28.294 0.021 1
1 265 . 13 1 1 A 37 37 GLN N N 37 120.072 118.891 1.181 1
1 266 . 13 1 1 A 38 38 GLN H H 38 8.329 7.890 0.439 1
1 267 . 13 1 1 A 38 38 GLN HA H 38 4.040 4.222 -0.182 1
1 274 . 13 1 1 A 38 38 GLN CA C 38 58.734 58.926 -0.192 1
1 275 . 13 1 1 A 38 38 GLN CB C 38 28.549 28.795 -0.246 1
1 277 . 13 1 1 A 38 38 GLN N N 38 120.847 118.786 2.061 1
1 279 . 13 1 1 A 39 39 PHE H H 39 9.453 8.362 1.091 1
1 280 . 13 1 1 A 39 39 PHE HA H 39 2.811 3.658 -0.847 1
1 286 . 13 1 1 A 39 39 PHE CA C 39 61.602 61.042 0.560 1
1 287 . 13 1 1 A 39 39 PHE CB C 39 38.799 38.604 0.195 1
1 291 . 13 1 1 A 39 39 PHE N N 39 123.507 121.564 1.943 1
1 292 . 13 1 1 A 40 40 HIS H H 40 8.096 8.502 -0.406 1
1 293 . 13 1 1 A 40 40 HIS HA H 40 3.884 3.882 0.002 1
1 297 . 13 1 1 A 40 40 HIS CA C 40 59.910 59.758 0.152 1
1 298 . 13 1 1 A 40 40 HIS CB C 40 29.558 29.161 0.397 1
1 300 . 13 1 1 A 40 40 HIS N N 40 114.319 117.244 -2.925 1
1 301 . 13 1 1 A 41 41 SER H H 41 7.818 7.857 -0.039 1
1 302 . 13 1 1 A 41 41 SER HA H 41 4.300 4.314 -0.014 1
1 305 . 13 1 1 A 41 41 SER CA C 41 60.851 61.747 -0.896 1
1 306 . 13 1 1 A 41 41 SER CB C 41 62.612 63.295 -0.683 1
1 307 . 13 1 1 A 41 41 SER N N 41 116.677 115.632 1.045 1
1 308 . 13 1 1 A 42 42 LEU H H 42 7.079 7.333 -0.254 1
1 309 . 13 1 1 A 42 42 LEU HA H 42 4.071 4.229 -0.158 1
1 319 . 13 1 1 A 42 42 LEU CA C 42 54.685 54.700 -0.015 1
1 320 . 13 1 1 A 42 42 LEU CB C 42 40.874 41.705 -0.831 1
1 324 . 13 1 1 A 42 42 LEU N N 42 121.868 117.773 4.095 1
1 325 . 13 1 1 A 43 43 LYS H H 43 7.345 7.279 0.066 1
1 326 . 13 1 1 A 43 43 LYS HA H 43 3.877 3.803 0.074 1
1 335 . 13 1 1 A 43 43 LYS CA C 43 56.035 56.571 -0.536 1
1 336 . 13 1 1 A 43 43 LYS CB C 43 28.886 30.631 -1.745 1
1 340 . 13 1 1 A 43 43 LYS N N 43 110.393 116.100 -5.707 1
1 341 . 13 1 1 A 44 44 PRO HA H 44 4.239 4.208 0.031 1
1 348 . 13 1 1 A 44 44 PRO CA C 44 62.424 63.135 -0.711 1
1 349 . 13 1 1 A 44 44 PRO CB C 44 32.413 31.978 0.435 1
1 352 . 13 1 1 A 45 45 ILE H H 45 8.586 8.231 0.355 1
1 353 . 13 1 1 A 45 45 ILE HA H 45 4.337 3.953 0.384 1
1 363 . 13 1 1 A 45 45 ILE CA C 45 60.170 62.975 -2.805 1
1 364 . 13 1 1 A 45 45 ILE CB C 45 39.143 38.367 0.776 1
1 368 . 13 1 1 A 45 45 ILE N N 45 120.985 125.597 -4.612 1
1 369 . 13 1 1 A 46 46 SER H H 46 9.512 7.820 1.692 1
1 370 . 13 1 1 A 46 46 SER HA H 46 4.055 4.503 -0.448 1
1 373 . 13 1 1 A 46 46 SER CA C 46 58.483 59.250 -0.767 1
1 374 . 13 1 1 A 46 46 SER CB C 46 62.174 64.808 -2.634 1
1 375 . 13 1 1 A 46 46 SER N N 46 124.158 115.138 9.020 1
1 376 . 13 1 1 A 47 47 GLY H H 47 8.555 7.050 1.505 1
1 377 . 13 1 1 A 47 47 GLY HA2 H 47 4.020 4.035 -0.015 1
1 378 . 13 1 1 A 47 47 GLY HA3 H 47 3.531 4.102 -0.571 1
1 379 . 13 1 1 A 47 47 GLY CA C 47 44.328 45.628 -1.300 1
1 380 . 13 1 1 A 47 47 GLY N N 47 162.194 105.667 56.527 1
1 381 . 13 1 1 A 48 48 PHE H H 48 7.710 7.212 0.498 1
1 382 . 13 1 1 A 48 48 PHE HA H 48 5.783 5.430 0.353 1
1 387 . 13 1 1 A 48 48 PHE CA C 48 56.732 56.462 0.270 1
1 388 . 13 1 1 A 48 48 PHE CB C 48 43.784 40.942 2.842 1
1 391 . 13 1 1 A 48 48 PHE N N 48 115.641 115.025 0.616 1
1 392 . 13 1 1 A 49 49 ILE H H 49 9.141 8.997 0.144 1
1 393 . 13 1 1 A 49 49 ILE HA H 49 4.908 5.163 -0.255 1
1 403 . 13 1 1 A 49 49 ILE CA C 49 59.368 58.963 0.405 1
1 404 . 13 1 1 A 49 49 ILE CB C 49 39.945 42.184 -2.239 1
1 408 . 13 1 1 A 49 49 ILE N N 49 114.692 117.014 -2.322 1
1 409 . 13 1 1 A 50 50 THR H H 50 8.700 8.431 0.269 1
1 410 . 13 1 1 A 50 50 THR HA H 50 4.473 5.018 -0.545 1
1 415 . 13 1 1 A 50 50 THR CA C 50 60.914 59.813 1.101 1
1 416 . 13 1 1 A 50 50 THR CB C 50 70.829 70.973 -0.144 1
1 418 . 13 1 1 A 50 50 THR N N 50 112.658 115.445 -2.787 1
1 419 . 13 1 1 A 51 51 GLY H H 51 8.778 8.849 -0.071 1
1 420 . 13 1 1 A 51 51 GLY HA2 H 51 3.790 3.558 0.232 1
1 421 . 13 1 1 A 51 51 GLY HA3 H 51 3.713 3.664 0.049 1
1 422 . 13 1 1 A 51 51 GLY CA C 51 48.310 47.208 1.102 1
1 423 . 13 1 1 A 51 51 GLY N N 51 108.204 113.109 -4.905 1
1 424 . 13 1 1 A 52 52 ASP H H 52 8.225 8.381 -0.156 1
1 425 . 13 1 1 A 52 52 ASP HA H 52 4.216 4.165 0.051 1
1 428 . 13 1 1 A 52 52 ASP CA C 52 57.344 57.274 0.070 1
1 429 . 13 1 1 A 52 52 ASP CB C 52 40.304 41.762 -1.458 1
1 430 . 13 1 1 A 52 52 ASP N N 52 119.404 121.861 -2.457 1
1 431 . 13 1 1 A 53 53 GLN H H 53 7.810 7.501 0.309 1
1 432 . 13 1 1 A 53 53 GLN HA H 53 3.969 4.008 -0.039 1
1 439 . 13 1 1 A 53 53 GLN CA C 53 58.673 58.569 0.104 1
1 440 . 13 1 1 A 53 53 GLN CB C 53 29.794 28.283 1.511 1
1 442 . 13 1 1 A 53 53 GLN N N 53 118.935 117.652 1.283 1
1 444 . 13 1 1 A 54 54 ALA H H 54 8.293 8.130 0.163 1
1 445 . 13 1 1 A 54 54 ALA HA H 54 3.642 3.822 -0.180 1
1 449 . 13 1 1 A 54 54 ALA CA C 54 55.243 54.869 0.374 1
1 450 . 13 1 1 A 54 54 ALA CB C 54 19.448 17.943 1.505 1
1 451 . 13 1 1 A 54 54 ALA N N 54 120.858 122.689 -1.831 1
1 452 . 13 1 1 A 55 55 ARG H H 55 8.744 7.893 0.851 1
1 453 . 13 1 1 A 55 55 ARG HA H 55 3.795 3.992 -0.197 1
1 460 . 13 1 1 A 55 55 ARG CA C 55 60.628 58.989 1.639 1
1 461 . 13 1 1 A 55 55 ARG CB C 55 30.224 29.659 0.565 1
1 464 . 13 1 1 A 55 55 ARG N N 55 115.211 118.095 -2.884 1
1 465 . 13 1 1 A 56 56 ASN H H 56 8.056 7.656 0.400 1
1 466 . 13 1 1 A 56 56 ASN HA H 56 4.470 4.664 -0.194 1
1 471 . 13 1 1 A 56 56 ASN CA C 56 56.091 56.234 -0.143 1
1 472 . 13 1 1 A 56 56 ASN CB C 56 38.069 38.495 -0.426 1
1 473 . 13 1 1 A 56 56 ASN N N 56 116.543 117.603 -1.060 1
1 475 . 13 1 1 A 57 57 PHE H H 57 7.567 8.015 -0.448 1
1 476 . 13 1 1 A 57 57 PHE HA H 57 4.517 4.272 0.245 1
1 481 . 13 1 1 A 57 57 PHE CA C 57 61.373 61.347 0.026 1
1 482 . 13 1 1 A 57 57 PHE CB C 57 39.518 38.794 0.724 1
1 485 . 13 1 1 A 57 57 PHE N N 57 121.111 122.888 -1.777 1
1 486 . 13 1 1 A 58 58 PHE H H 58 8.995 8.703 0.292 1
1 487 . 13 1 1 A 58 58 PHE HA H 58 4.501 4.213 0.288 1
1 491 . 13 1 1 A 58 58 PHE CA C 58 57.190 61.644 -4.454 1
1 492 . 13 1 1 A 58 58 PHE CB C 58 37.236 39.030 -1.794 1
1 494 . 13 1 1 A 58 58 PHE N N 58 119.594 118.467 1.127 1
1 495 . 13 1 1 A 59 59 PHE H H 59 8.510 8.340 0.170 1
1 496 . 13 1 1 A 59 59 PHE HA H 59 4.296 4.162 0.134 1
1 500 . 13 1 1 A 59 59 PHE CA C 59 60.456 61.542 -1.086 1
1 501 . 13 1 1 A 59 59 PHE CB C 59 38.914 39.353 -0.439 1
1 503 . 13 1 1 A 59 59 PHE N N 59 120.834 118.965 1.869 1
1 504 . 13 1 1 A 60 60 GLN H H 60 7.652 8.500 -0.848 1
1 505 . 13 1 1 A 60 60 GLN HA H 60 4.056 3.932 0.124 1
1 512 . 13 1 1 A 60 60 GLN CA C 60 57.133 57.220 -0.087 1
1 513 . 13 1 1 A 60 60 GLN CB C 60 27.771 27.180 0.591 1
1 515 . 13 1 1 A 60 60 GLN N N 60 116.464 117.049 -0.585 1
1 517 . 13 1 1 A 61 61 SER H H 61 7.823 7.462 0.361 1
1 518 . 13 1 1 A 61 61 SER HA H 61 3.985 4.397 -0.412 1
1 521 . 13 1 1 A 61 61 SER CA C 61 60.571 58.663 1.908 1
1 522 . 13 1 1 A 61 61 SER CB C 61 65.277 63.718 1.559 1
1 523 . 13 1 1 A 61 61 SER N N 61 113.448 114.670 -1.222 1
1 524 . 13 1 1 A 62 62 GLY H H 62 7.478 8.654 -1.176 1
1 525 . 13 1 1 A 62 62 GLY HA2 H 62 4.115 3.772 0.343 1
1 526 . 13 1 1 A 62 62 GLY HA3 H 62 3.699 3.844 -0.145 1
1 527 . 13 1 1 A 62 62 GLY CA C 62 45.445 46.123 -0.678 1
1 528 . 13 1 1 A 62 62 GLY N N 62 108.189 110.056 -1.867 1
1 529 . 13 1 1 A 63 63 LEU H H 63 7.282 7.712 -0.430 1
1 530 . 13 1 1 A 63 63 LEU HA H 63 4.471 4.851 -0.380 1
1 540 . 13 1 1 A 63 63 LEU CA C 63 52.971 51.529 1.442 1
1 541 . 13 1 1 A 63 63 LEU CB C 63 41.597 44.484 -2.887 1
1 545 . 13 1 1 A 63 63 LEU N N 63 120.356 120.576 -0.220 1
1 546 . 13 1 1 A 64 64 PRO HA H 64 4.559 4.645 -0.086 1
1 553 . 13 1 1 A 64 64 PRO CA C 64 63.039 62.657 0.382 1
1 554 . 13 1 1 A 64 64 PRO CB C 64 33.402 32.745 0.657 1
1 557 . 13 1 1 A 65 65 GLN H H 65 9.289 8.685 0.604 1
1 558 . 13 1 1 A 65 65 GLN HA H 65 4.194 4.078 0.116 1
1 563 . 13 1 1 A 65 65 GLN CA C 65 61.180 60.357 0.823 1
1 564 . 13 1 1 A 65 65 GLN CB C 65 25.845 28.084 -2.239 1
1 566 . 13 1 1 A 65 65 GLN N N 65 122.729 121.941 0.788 1
1 567 . 13 1 1 A 66 66 PRO HA H 66 4.399 4.361 0.038 1
1 574 . 13 1 1 A 66 66 PRO CA C 66 65.956 65.732 0.224 1
1 575 . 13 1 1 A 66 66 PRO CB C 66 30.665 31.022 -0.357 1
1 578 . 13 1 1 A 67 67 VAL H H 67 6.875 7.202 -0.327 1
1 579 . 13 1 1 A 67 67 VAL HA H 67 3.930 3.876 0.054 1
1 587 . 13 1 1 A 67 67 VAL CA C 67 64.811 64.954 -0.143 1
1 588 . 13 1 1 A 67 67 VAL CB C 67 31.581 31.280 0.301 1
1 591 . 13 1 1 A 67 67 VAL N N 67 117.350 116.460 0.890 1
1 592 . 13 1 1 A 68 68 LEU H H 68 7.965 8.091 -0.126 1
1 593 . 13 1 1 A 68 68 LEU HA H 68 3.955 3.716 0.239 1
1 603 . 13 1 1 A 68 68 LEU CA C 68 57.878 57.636 0.242 1
1 604 . 13 1 1 A 68 68 LEU CB C 68 40.821 41.681 -0.860 1
1 608 . 13 1 1 A 68 68 LEU N N 68 119.980 119.929 0.051 1
1 609 . 13 1 1 A 69 69 ALA H H 69 8.577 8.897 -0.320 1
1 610 . 13 1 1 A 69 69 ALA HA H 69 4.375 4.244 0.131 1
1 614 . 13 1 1 A 69 69 ALA CA C 69 55.128 54.879 0.249 1
1 615 . 13 1 1 A 69 69 ALA CB C 69 17.533 18.357 -0.824 1
1 616 . 13 1 1 A 69 69 ALA N N 69 122.731 121.196 1.535 1
1 617 . 13 1 1 A 70 70 GLN H H 70 7.534 7.959 -0.425 1
1 618 . 13 1 1 A 70 70 GLN HA H 70 4.190 3.955 0.235 1
1 625 . 13 1 1 A 70 70 GLN CA C 70 58.623 59.031 -0.408 1
1 626 . 13 1 1 A 70 70 GLN CB C 70 28.349 28.120 0.229 1
1 628 . 13 1 1 A 70 70 GLN N N 70 120.846 117.909 2.937 1
1 630 . 13 1 1 A 71 71 ILE H H 71 8.170 7.473 0.697 1
1 631 . 13 1 1 A 71 71 ILE HA H 71 3.455 3.611 -0.156 1
1 641 . 13 1 1 A 71 71 ILE CA C 71 66.530 65.209 1.321 1
1 642 . 13 1 1 A 71 71 ILE CB C 71 37.768 37.501 0.267 1
1 646 . 13 1 1 A 71 71 ILE N N 71 120.351 119.761 0.590 1
1 647 . 13 1 1 A 72 72 TRP H H 72 8.473 8.025 0.448 1
1 648 . 13 1 1 A 72 72 TRP HA H 72 3.845 4.452 -0.607 1
1 657 . 13 1 1 A 72 72 TRP CA C 72 61.144 61.096 0.048 1
1 658 . 13 1 1 A 72 72 TRP CB C 72 28.496 29.504 -1.008 1
1 664 . 13 1 1 A 72 72 TRP N N 72 119.417 121.563 -2.146 1
1 666 . 13 1 1 A 73 73 ALA H H 73 7.647 8.454 -0.807 1
1 667 . 13 1 1 A 73 73 ALA HA H 73 4.012 3.888 0.124 1
1 671 . 13 1 1 A 73 73 ALA CA C 73 54.154 54.661 -0.507 1
1 672 . 13 1 1 A 73 73 ALA CB C 73 18.059 18.052 0.007 1
1 673 . 13 1 1 A 73 73 ALA N N 73 116.148 121.519 -5.371 1
1 674 . 13 1 1 A 74 74 LEU H H 74 7.493 7.258 0.235 1
1 675 . 13 1 1 A 74 74 LEU HA H 74 3.947 4.176 -0.229 1
1 685 . 13 1 1 A 74 74 LEU CA C 74 56.478 56.990 -0.512 1
1 686 . 13 1 1 A 74 74 LEU CB C 74 43.726 41.986 1.740 1
1 690 . 13 1 1 A 74 74 LEU N N 74 115.647 118.205 -2.558 1
1 691 . 13 1 1 A 75 75 ALA H H 75 7.952 8.006 -0.054 1
1 692 . 13 1 1 A 75 75 ALA HA H 75 4.019 4.192 -0.173 1
1 696 . 13 1 1 A 75 75 ALA CA C 75 53.982 55.467 -1.485 1
1 697 . 13 1 1 A 75 75 ALA CB C 75 19.913 19.171 0.742 1
1 698 . 13 1 1 A 75 75 ALA N N 75 118.000 121.166 -3.166 1
1 699 . 13 1 1 A 76 76 ASP H H 76 7.798 8.202 -0.404 1
1 700 . 13 1 1 A 76 76 ASP HA H 76 4.587 5.002 -0.415 1
1 703 . 13 1 1 A 76 76 ASP CA C 76 51.849 53.446 -1.597 1
1 704 . 13 1 1 A 76 76 ASP CB C 76 36.265 40.211 -3.946 1
1 705 . 13 1 1 A 76 76 ASP N N 76 114.297 114.842 -0.545 1
1 706 . 13 1 1 A 77 77 MET H H 77 8.077 8.323 -0.246 1
1 707 . 13 1 1 A 77 77 MET HA H 77 3.867 4.049 -0.182 1
1 715 . 13 1 1 A 77 77 MET CA C 77 59.024 58.276 0.748 1
1 716 . 13 1 1 A 77 77 MET CB C 77 34.550 31.557 2.993 1
1 719 . 13 1 1 A 77 77 MET N N 77 123.959 124.321 -0.362 1
1 720 . 13 1 1 A 78 78 ASN H H 78 7.801 7.751 0.050 1
1 721 . 13 1 1 A 78 78 ASN HA H 78 4.839 4.732 0.107 1
1 726 . 13 1 1 A 78 78 ASN CA C 78 50.889 54.057 -3.168 1
1 727 . 13 1 1 A 78 78 ASN CB C 78 37.028 38.925 -1.897 1
1 728 . 13 1 1 A 78 78 ASN N N 78 112.247 118.112 -5.865 1
1 730 . 13 1 1 A 79 79 ASN H H 79 8.019 8.636 -0.617 1
1 731 . 13 1 1 A 79 79 ASN HA H 79 4.380 4.395 -0.015 1
1 736 . 13 1 1 A 79 79 ASN CA C 79 54.319 53.827 0.492 1
1 737 . 13 1 1 A 79 79 ASN CB C 79 37.867 36.718 1.149 1
1 738 . 13 1 1 A 79 79 ASN N N 79 116.050 117.073 -1.023 1
1 740 . 13 1 1 A 80 80 ASP H H 80 8.019 7.969 0.050 1
1 741 . 13 1 1 A 80 80 ASP HA H 80 4.784 4.654 0.130 1
1 744 . 13 1 1 A 80 80 ASP CA C 80 52.672 54.248 -1.576 1
1 745 . 13 1 1 A 80 80 ASP CB C 80 41.585 41.548 0.037 1
1 746 . 13 1 1 A 80 80 ASP N N 80 115.620 120.585 -4.965 1
1 747 . 13 1 1 A 81 81 GLY H H 81 10.345 8.054 2.291 1
1 748 . 13 1 1 A 81 81 GLY HA2 H 81 4.339 4.186 0.153 1
1 749 . 13 1 1 A 81 81 GLY HA3 H 81 4.044 4.493 -0.449 1
1 750 . 13 1 1 A 81 81 GLY CA C 81 46.560 46.043 0.517 1
1 751 . 13 1 1 A 81 81 GLY N N 81 112.191 107.069 5.122 1
1 752 . 13 1 1 A 82 82 ARG H H 82 8.365 8.443 -0.078 1
1 753 . 13 1 1 A 82 82 ARG HA H 82 5.105 4.536 0.569 1
1 760 . 13 1 1 A 82 82 ARG CA C 82 53.982 56.483 -2.501 1
1 761 . 13 1 1 A 82 82 ARG CB C 82 33.303 31.866 1.437 1
1 764 . 13 1 1 A 82 82 ARG N N 82 117.518 119.291 -1.773 1
1 765 . 13 1 1 A 83 83 MET H H 83 9.038 8.262 0.776 1
1 766 . 13 1 1 A 83 83 MET HA H 83 6.142 4.288 1.854 1
1 774 . 13 1 1 A 83 83 MET CA C 83 55.586 56.349 -0.763 1
1 775 . 13 1 1 A 83 83 MET CB C 83 38.610 31.296 7.314 1
1 778 . 13 1 1 A 83 83 MET N N 83 120.510 118.852 1.658 1
1 779 . 13 1 1 A 84 84 ASP H H 84 7.586 8.081 -0.495 1
1 780 . 13 1 1 A 84 84 ASP HA H 84 5.259 4.687 0.572 1
1 783 . 13 1 1 A 84 84 ASP CA C 84 51.182 53.427 -2.245 1
1 784 . 13 1 1 A 84 84 ASP CB C 84 42.047 41.876 0.171 1
1 785 . 13 1 1 A 84 84 ASP N N 84 122.321 123.591 -1.270 1
1 786 . 13 1 1 A 85 85 GLN H H 85 7.988 8.575 -0.587 1
1 787 . 13 1 1 A 85 85 GLN HA H 85 2.609 3.702 -1.093 1
1 794 . 13 1 1 A 85 85 GLN CA C 85 58.909 58.651 0.258 1
1 795 . 13 1 1 A 85 85 GLN CB C 85 29.346 27.914 1.432 1
1 797 . 13 1 1 A 85 85 GLN N N 85 115.617 123.382 -7.765 1
1 799 . 13 1 1 A 86 86 VAL H H 86 7.357 7.257 0.100 1
1 800 . 13 1 1 A 86 86 VAL HA H 86 3.557 3.506 0.051 1
1 808 . 13 1 1 A 86 86 VAL CA C 86 66.117 66.480 -0.363 1
1 809 . 13 1 1 A 86 86 VAL CB C 86 31.538 31.646 -0.108 1
1 812 . 13 1 1 A 86 86 VAL N N 86 120.551 120.914 -0.363 1
1 813 . 13 1 1 A 87 87 GLU H H 87 8.375 8.222 0.153 1
1 814 . 13 1 1 A 87 87 GLU HA H 87 3.908 4.081 -0.173 1
1 819 . 13 1 1 A 87 87 GLU CA C 87 59.424 59.669 -0.245 1
1 820 . 13 1 1 A 87 87 GLU CB C 87 31.466 29.363 2.103 1
1 822 . 13 1 1 A 87 87 GLU N N 87 119.417 118.865 0.552 1
1 823 . 13 1 1 A 88 88 PHE H H 88 8.482 9.219 -0.737 1
1 824 . 13 1 1 A 88 88 PHE HA H 88 4.427 4.205 0.222 1
1 828 . 13 1 1 A 88 88 PHE CA C 88 62.061 61.375 0.686 1
1 829 . 13 1 1 A 88 88 PHE CB C 88 40.726 39.301 1.425 1
1 831 . 13 1 1 A 88 88 PHE N N 88 117.094 122.098 -5.004 1
1 832 . 13 1 1 A 89 89 SER H H 89 7.490 7.862 -0.372 1
1 833 . 13 1 1 A 89 89 SER HA H 89 4.763 4.285 0.478 1
1 836 . 13 1 1 A 89 89 SER CA C 89 59.783 61.164 -1.381 1
1 837 . 13 1 1 A 89 89 SER CB C 89 59.544 62.842 -3.298 1
1 838 . 13 1 1 A 89 89 SER N N 89 113.424 113.550 -0.126 1
1 839 . 13 1 1 A 90 90 ILE H H 90 8.034 7.530 0.504 1
1 840 . 13 1 1 A 90 90 ILE HA H 90 3.506 4.059 -0.553 1
1 850 . 13 1 1 A 90 90 ILE CA C 90 66.098 63.236 2.862 1
1 851 . 13 1 1 A 90 90 ILE CB C 90 37.905 38.442 -0.537 1
1 855 . 13 1 1 A 90 90 ILE N N 90 118.472 121.494 -3.022 1
1 856 . 13 1 1 A 91 91 ALA H H 91 8.197 7.679 0.518 1
1 857 . 13 1 1 A 91 91 ALA HA H 91 4.286 4.194 0.092 1
1 861 . 13 1 1 A 91 91 ALA CA C 91 52.435 53.927 -1.492 1
1 862 . 13 1 1 A 91 91 ALA CB C 91 19.091 19.050 0.041 1
1 863 . 13 1 1 A 91 91 ALA N N 91 119.275 123.936 -4.661 1
1 864 . 13 1 1 A 92 92 MET H H 92 8.183 8.175 0.008 1
1 865 . 13 1 1 A 92 92 MET HA H 92 4.268 3.931 0.337 1
1 870 . 13 1 1 A 92 92 MET CA C 92 55.643 58.190 -2.547 1
1 871 . 13 1 1 A 92 92 MET CB C 92 29.521 31.959 -2.438 1
1 873 . 13 1 1 A 92 92 MET N N 92 118.681 116.180 2.501 1
1 874 . 13 1 1 A 93 93 LYS H H 93 8.172 8.021 0.151 1
1 875 . 13 1 1 A 93 93 LYS HA H 93 4.006 4.193 -0.187 1
1 878 . 13 1 1 A 93 93 LYS CA C 93 56.840 58.290 -1.450 1
1 879 . 13 1 1 A 93 93 LYS CB C 93 32.830 32.662 0.168 1
1 880 . 13 1 1 A 93 93 LYS N N 93 120.362 118.171 2.191 1
1 881 . 13 1 1 A 94 94 LEU H H 94 8.017 7.703 0.314 1
1 882 . 13 1 1 A 94 94 LEU HA H 94 3.884 4.122 -0.238 1
1 892 . 13 1 1 A 94 94 LEU CA C 94 58.234 58.101 0.133 1
1 893 . 13 1 1 A 94 94 LEU CB C 94 42.050 41.845 0.205 1
1 897 . 13 1 1 A 94 94 LEU N N 94 114.192 120.551 -6.359 1
1 898 . 13 1 1 A 95 95 ILE H H 95 8.377 7.897 0.480 1
1 899 . 13 1 1 A 95 95 ILE HA H 95 3.254 3.544 -0.290 1
1 909 . 13 1 1 A 95 95 ILE CA C 95 66.013 65.257 0.756 1
1 910 . 13 1 1 A 95 95 ILE CB C 95 38.284 37.414 0.870 1
1 914 . 13 1 1 A 95 95 ILE N N 95 118.949 120.273 -1.324 1
1 915 . 13 1 1 A 96 96 LYS H H 96 7.751 7.682 0.069 1
1 916 . 13 1 1 A 96 96 LYS HA H 96 3.928 4.021 -0.093 1
1 925 . 13 1 1 A 96 96 LYS CA C 96 59.701 59.914 -0.213 1
1 926 . 13 1 1 A 96 96 LYS CB C 96 32.286 31.983 0.303 1
1 930 . 13 1 1 A 96 96 LYS N N 96 119.637 121.997 -2.360 1
1 931 . 13 1 1 A 97 97 LEU H H 97 8.382 7.876 0.506 1
1 932 . 13 1 1 A 97 97 LEU HA H 97 4.006 4.315 -0.309 1
1 942 . 13 1 1 A 97 97 LEU CA C 97 57.363 55.636 1.727 1
1 943 . 13 1 1 A 97 97 LEU CB C 97 40.459 42.309 -1.850 1
1 947 . 13 1 1 A 97 97 LEU N N 97 117.727 119.423 -1.696 1
1 948 . 13 1 1 A 98 98 LYS H H 98 8.761 8.383 0.378 1
1 949 . 13 1 1 A 98 98 LYS HA H 98 4.548 4.156 0.392 1
1 958 . 13 1 1 A 98 98 LYS CA C 98 57.477 59.620 -2.143 1
1 959 . 13 1 1 A 98 98 LYS CB C 98 31.294 32.435 -1.141 1
1 963 . 13 1 1 A 98 98 LYS N N 98 122.255 120.460 1.795 1
1 964 . 13 1 1 A 99 99 LEU H H 99 8.798 8.285 0.513 1
1 965 . 13 1 1 A 99 99 LEU HA H 99 4.100 4.043 0.057 1
1 975 . 13 1 1 A 99 99 LEU CA C 99 57.878 57.107 0.771 1
1 976 . 13 1 1 A 99 99 LEU CB C 99 41.605 41.329 0.276 1
1 980 . 13 1 1 A 99 99 LEU N N 99 122.214 119.921 2.293 1
1 981 . 13 1 1 A 100 100 GLN H H 100 7.749 7.709 0.040 1
1 982 . 13 1 1 A 100 100 GLN HA H 100 4.285 4.318 -0.033 1
1 989 . 13 1 1 A 100 100 GLN CA C 100 56.503 56.396 0.107 1
1 990 . 13 1 1 A 100 100 GLN CB C 100 29.576 29.484 0.092 1
1 992 . 13 1 1 A 100 100 GLN N N 100 116.914 117.927 -1.013 1
1 993 . 13 1 1 A 101 101 GLY H H 101 7.910 8.196 -0.286 1
1 994 . 13 1 1 A 101 101 GLY HA2 H 101 4.262 3.805 0.457 1
1 995 . 13 1 1 A 101 101 GLY HA3 H 101 3.661 3.929 -0.268 1
1 996 . 13 1 1 A 101 101 GLY CA C 101 44.884 45.389 -0.505 1
1 997 . 13 1 1 A 101 101 GLY N N 101 106.044 107.362 -1.318 1
1 998 . 13 1 1 A 102 102 TYR H H 102 8.078 8.103 -0.025 1
1 999 . 13 1 1 A 102 102 TYR HA H 102 4.311 5.128 -0.817 1
1 1006 . 13 1 1 A 102 102 TYR CA C 102 59.253 56.716 2.537 1
1 1007 . 13 1 1 A 102 102 TYR CB C 102 37.849 42.514 -4.665 1
1 1010 . 13 1 1 A 102 102 TYR N N 102 120.876 118.876 2.000 1
1 1011 . 13 1 1 A 103 103 GLN H H 103 8.610 8.438 0.172 1
1 1012 . 13 1 1 A 103 103 GLN HA H 103 4.280 4.570 -0.290 1
1 1015 . 13 1 1 A 103 103 GLN CA C 103 56.620 56.322 0.298 1
1 1016 . 13 1 1 A 103 103 GLN CB C 103 29.100 30.084 -0.984 1
1 1017 . 13 1 1 A 103 103 GLN N N 103 119.785 119.049 0.736 1
1 1018 . 13 1 1 A 105 105 PRO HA H 105 4.631 4.654 -0.023 1
1 1025 . 13 1 1 A 105 105 PRO CA C 105 61.602 62.060 -0.458 1
1 1026 . 13 1 1 A 105 105 PRO CB C 105 31.690 33.198 -1.508 1
1 1029 . 13 1 1 A 106 106 SER H H 106 8.485 8.409 0.076 1
1 1030 . 13 1 1 A 106 106 SER HA H 106 4.183 4.167 0.016 1
1 1033 . 13 1 1 A 106 106 SER CA C 106 59.525 59.090 0.435 1
1 1034 . 13 1 1 A 106 106 SER CB C 106 63.078 63.102 -0.024 1
1 1035 . 13 1 1 A 106 106 SER N N 106 112.361 113.552 -1.191 1
1 1036 . 13 1 1 A 107 107 ALA H H 107 7.410 7.447 -0.037 1
1 1037 . 13 1 1 A 107 107 ALA HA H 107 4.308 4.463 -0.155 1
1 1041 . 13 1 1 A 107 107 ALA CA C 107 50.086 50.968 -0.882 1
1 1042 . 13 1 1 A 107 107 ALA CB C 107 21.253 19.257 1.996 1
1 1043 . 13 1 1 A 107 107 ALA N N 107 121.311 124.752 -3.441 1
1 1044 . 13 1 1 A 108 108 LEU H H 108 8.915 8.678 0.237 1
1 1045 . 13 1 1 A 108 108 LEU HA H 108 4.020 4.424 -0.404 1
1 1055 . 13 1 1 A 108 108 LEU CA C 108 52.990 53.695 -0.705 1
1 1056 . 13 1 1 A 108 108 LEU CB C 108 42.041 41.412 0.629 1
1 1060 . 13 1 1 A 108 108 LEU N N 108 122.607 124.432 -1.825 1
1 1061 . 13 1 1 A 110 110 PRO HA H 110 4.024 4.356 -0.332 1
1 1068 . 13 1 1 A 110 110 PRO CA C 110 65.440 64.655 0.785 1
1 1069 . 13 1 1 A 110 110 PRO CB C 110 31.638 31.883 -0.245 1
1 1072 . 13 1 1 A 111 111 VAL H H 111 8.118 7.429 0.689 1
1 1073 . 13 1 1 A 111 111 VAL HA H 111 3.986 3.930 0.056 1
1 1081 . 13 1 1 A 111 111 VAL CA C 111 63.779 64.648 -0.869 1
1 1082 . 13 1 1 A 111 111 VAL CB C 111 31.065 31.258 -0.193 1
1 1085 . 13 1 1 A 111 111 VAL N N 111 115.605 116.010 -0.405 1
1 1086 . 13 1 1 A 112 112 MET H H 112 7.908 7.361 0.547 1
1 1087 . 13 1 1 A 112 112 MET HA H 112 4.160 4.437 -0.277 1
1 1095 . 13 1 1 A 112 112 MET CA C 112 59.098 57.315 1.783 1
1 1096 . 13 1 1 A 112 112 MET CB C 112 34.024 32.934 1.090 1
1 1099 . 13 1 1 A 112 112 MET N N 112 118.943 119.041 -0.098 1
1 1100 . 13 1 1 A 113 113 LYS H H 113 7.330 7.851 -0.521 1
1 1101 . 13 1 1 A 113 113 LYS HA H 113 4.182 4.260 -0.078 1
1 1110 . 13 1 1 A 113 113 LYS CA C 113 55.987 59.352 -3.365 1
1 1111 . 13 1 1 A 113 113 LYS CB C 113 32.841 32.986 -0.145 1
1 1115 . 13 1 1 A 113 113 LYS N N 113 112.617 116.920 -4.303 1
1 1116 . 13 1 1 A 114 114 GLN H H 114 7.114 7.336 -0.222 1
1 1117 . 13 1 1 A 114 114 GLN HA H 114 4.309 4.214 0.095 1
1 1124 . 13 1 1 A 114 114 GLN CA C 114 54.956 56.300 -1.344 1
1 1125 . 13 1 1 A 114 114 GLN CB C 114 29.241 28.988 0.253 1
1 1127 . 13 1 1 A 114 114 GLN N N 114 117.852 118.183 -0.331 1
1 1129 . 13 1 1 A 115 115 GLN H H 115 8.556 8.930 -0.374 1
1 1130 . 13 1 1 A 115 115 GLN HA H 115 4.501 4.459 0.042 1
1 1137 . 13 1 1 A 115 115 GLN CA C 115 53.858 57.356 -3.498 1
1 1138 . 13 1 1 A 115 115 GLN CB C 115 28.234 31.492 -3.258 1
1 1140 . 13 1 1 A 115 115 GLN N N 115 123.195 121.409 1.786 1
1 1142 . 13 1 1 A 116 116 PRO HA H 116 4.530 4.653 -0.123 1
1 1149 . 13 1 1 A 116 116 PRO CA C 116 63.050 62.317 0.733 1
1 1150 . 13 1 1 A 116 116 PRO CB C 116 31.953 32.257 -0.304 1
1 1153 . 13 1 1 A 117 117 VAL H H 117 8.345 8.140 0.205 1
1 1154 . 13 1 1 A 117 117 VAL HA H 117 4.167 4.289 -0.122 1
1 1162 . 13 1 1 A 117 117 VAL CA C 117 61.258 61.054 0.204 1
1 1163 . 13 1 1 A 117 117 VAL CB C 117 33.724 32.882 0.842 1
1 1166 . 13 1 1 A 117 117 VAL N N 117 120.361 118.206 2.155 1
1 1167 . 13 1 1 A 118 118 ALA H H 118 8.470 8.903 -0.433 1
1 1168 . 13 1 1 A 118 118 ALA HA H 118 4.452 4.352 0.100 1
1 1172 . 13 1 1 A 118 118 ALA CA C 118 51.678 54.029 -2.351 1
1 1173 . 13 1 1 A 118 118 ALA CB C 118 19.260 19.380 -0.120 1
1 1174 . 13 1 1 A 118 118 ALA N N 118 128.412 126.122 2.290 1
1 1175 . 13 1 1 A 119 119 ILE H H 119 8.250 7.985 0.265 1
1 1176 . 13 1 1 A 119 119 ILE HA H 119 4.240 4.033 0.207 1
1 1186 . 13 1 1 A 119 119 ILE CA C 119 60.743 63.209 -2.466 1
1 1187 . 13 1 1 A 119 119 ILE CB C 119 38.914 39.331 -0.417 1
1 1191 . 13 1 1 A 119 119 ILE N N 119 120.929 117.912 3.017 1
1 1192 . 13 1 1 A 120 120 SER H H 120 8.413 8.109 0.304 1
1 1193 . 13 1 1 A 120 120 SER HA H 120 4.543 4.656 -0.113 1
1 1196 . 13 1 1 A 120 120 SER CA C 120 57.878 59.319 -1.441 1
1 1197 . 13 1 1 A 120 120 SER CB C 120 63.951 65.744 -1.793 1
1 1198 . 13 1 1 A 120 120 SER N N 120 120.494 113.427 7.067 1
1 1 . 14 1 1 A 12 12 ALA H H 12 8.223 8.083 0.140 1
1 2 . 14 1 1 A 12 12 ALA HA H 12 4.220 4.838 -0.618 1
1 6 . 14 1 1 A 12 12 ALA CA C 12 52.323 51.275 1.048 1
1 7 . 14 1 1 A 12 12 ALA CB C 12 19.015 19.987 -0.972 1
1 8 . 14 1 1 A 12 12 ALA N N 12 124.624 125.643 -1.019 1
1 9 . 14 1 1 A 13 13 GLN H H 13 8.220 8.948 -0.728 1
1 10 . 14 1 1 A 13 13 GLN HA H 13 4.292 4.835 -0.543 1
1 13 . 14 1 1 A 13 13 GLN CA C 13 55.457 54.814 0.643 1
1 14 . 14 1 1 A 13 13 GLN CB C 13 29.804 32.025 -2.221 1
1 15 . 14 1 1 A 13 13 GLN N N 13 119.119 123.980 -4.861 1
1 16 . 14 1 1 A 14 14 PHE H H 14 8.109 8.406 -0.297 1
1 17 . 14 1 1 A 14 14 PHE HA H 14 4.559 5.374 -0.815 1
1 20 . 14 1 1 A 14 14 PHE CA C 14 58.250 54.810 3.440 1
1 21 . 14 1 1 A 14 14 PHE CB C 14 39.950 41.179 -1.229 1
1 22 . 14 1 1 A 14 14 PHE N N 14 121.712 123.652 -1.940 1
1 23 . 14 1 1 A 15 15 PRO HA H 15 4.492 4.521 -0.029 1
1 30 . 14 1 1 A 15 15 PRO CA C 15 63.047 63.121 -0.074 1
1 31 . 14 1 1 A 15 15 PRO CB C 15 31.810 32.310 -0.500 1
1 34 . 14 1 1 A 16 16 THR H H 16 8.197 8.358 -0.161 1
1 35 . 14 1 1 A 16 16 THR HA H 16 4.614 4.687 -0.073 1
1 40 . 14 1 1 A 16 16 THR CA C 16 59.526 60.141 -0.615 1
1 41 . 14 1 1 A 16 16 THR CB C 16 69.603 69.414 0.189 1
1 43 . 14 1 1 A 16 16 THR N N 16 115.700 113.034 2.666 1
1 44 . 14 1 1 A 17 17 PRO HA H 17 4.360 4.764 -0.404 1
1 51 . 14 1 1 A 17 17 PRO CA C 17 63.321 62.427 0.894 1
1 52 . 14 1 1 A 17 17 PRO CB C 17 31.680 33.226 -1.546 1
1 55 . 14 1 1 A 18 18 PHE H H 18 8.212 8.330 -0.118 1
1 56 . 14 1 1 A 18 18 PHE HA H 18 4.589 5.186 -0.597 1
1 64 . 14 1 1 A 18 18 PHE CA C 18 57.648 56.087 1.561 1
1 65 . 14 1 1 A 18 18 PHE CB C 18 39.165 41.826 -2.661 1
1 69 . 14 1 1 A 18 18 PHE N N 18 119.185 116.588 2.597 1
1 70 . 14 1 1 A 19 19 GLY H H 19 8.250 8.800 -0.550 1
1 71 . 14 1 1 A 19 19 GLY HA2 H 19 3.943 4.132 -0.189 1
1 72 . 14 1 1 A 19 19 GLY HA3 H 19 3.935 4.277 -0.342 1
1 73 . 14 1 1 A 19 19 GLY CA C 19 45.100 45.188 -0.088 1
1 74 . 14 1 1 A 19 19 GLY N N 19 110.566 107.840 2.726 1
1 75 . 14 1 1 A 20 20 GLY H H 20 7.873 8.417 -0.544 1
1 76 . 14 1 1 A 20 20 GLY HA2 H 20 3.964 4.072 -0.108 1
1 77 . 14 1 1 A 20 20 GLY HA3 H 20 3.955 4.099 -0.144 1
1 78 . 14 1 1 A 20 20 GLY CA C 20 45.056 46.210 -1.154 1
1 79 . 14 1 1 A 20 20 GLY N N 20 108.171 110.976 -2.805 1
1 80 . 14 1 1 A 21 21 SER H H 21 8.274 8.375 -0.101 1
1 81 . 14 1 1 A 21 21 SER HA H 21 4.523 4.296 0.227 1
1 84 . 14 1 1 A 21 21 SER CA C 21 57.951 60.484 -2.533 1
1 85 . 14 1 1 A 21 21 SER CB C 21 63.946 63.116 0.830 1
1 86 . 14 1 1 A 21 21 SER N N 21 115.180 117.696 -2.516 1
1 87 . 14 1 1 A 22 22 LEU H H 22 8.435 7.558 0.877 1
1 88 . 14 1 1 A 22 22 LEU HA H 22 4.302 4.646 -0.344 1
1 98 . 14 1 1 A 22 22 LEU CA C 22 55.846 54.702 1.144 1
1 99 . 14 1 1 A 22 22 LEU CB C 22 42.229 43.826 -1.597 1
1 103 . 14 1 1 A 22 22 LEU N N 22 123.998 114.328 9.670 1
1 104 . 14 1 1 A 23 23 ASP H H 23 8.291 7.740 0.551 1
1 105 . 14 1 1 A 23 23 ASP HA H 23 4.494 5.006 -0.512 1
1 108 . 14 1 1 A 23 23 ASP CA C 23 54.981 53.486 1.495 1
1 109 . 14 1 1 A 23 23 ASP CB C 23 41.190 41.412 -0.222 1
1 110 . 14 1 1 A 23 23 ASP N N 23 120.385 118.887 1.498 1
1 111 . 14 1 1 A 24 24 THR H H 24 8.010 8.075 -0.065 1
1 112 . 14 1 1 A 24 24 THR HA H 24 3.770 3.667 0.103 1
1 117 . 14 1 1 A 24 24 THR CA C 24 64.590 65.364 -0.774 1
1 118 . 14 1 1 A 24 24 THR CB C 24 69.620 67.953 1.667 1
1 120 . 14 1 1 A 24 24 THR N N 24 117.799 112.615 5.184 1
1 121 . 14 1 1 A 25 25 TRP H H 25 7.780 7.582 0.198 1
1 122 . 14 1 1 A 25 25 TRP HA H 25 4.012 4.644 -0.632 1
1 131 . 14 1 1 A 25 25 TRP CA C 25 57.837 58.439 -0.602 1
1 132 . 14 1 1 A 25 25 TRP CB C 25 28.842 30.619 -1.777 1
1 138 . 14 1 1 A 25 25 TRP N N 25 118.659 121.313 -2.654 1
1 140 . 14 1 1 A 26 26 ALA H H 26 7.101 7.543 -0.442 1
1 141 . 14 1 1 A 26 26 ALA HA H 26 3.949 4.265 -0.316 1
1 145 . 14 1 1 A 26 26 ALA CA C 26 52.102 52.722 -0.620 1
1 146 . 14 1 1 A 26 26 ALA CB C 26 18.840 18.959 -0.119 1
1 147 . 14 1 1 A 26 26 ALA N N 26 117.054 121.728 -4.674 1
1 148 . 14 1 1 A 27 27 ILE H H 27 8.687 9.144 -0.457 1
1 149 . 14 1 1 A 27 27 ILE HA H 27 4.332 4.480 -0.148 1
1 159 . 14 1 1 A 27 27 ILE CA C 27 61.430 60.852 0.578 1
1 160 . 14 1 1 A 27 27 ILE CB C 27 38.550 36.822 1.728 1
1 164 . 14 1 1 A 27 27 ILE N N 27 125.107 125.009 0.098 1
1 165 . 14 1 1 A 28 28 THR H H 28 8.981 8.381 0.600 1
1 166 . 14 1 1 A 28 28 THR HA H 28 4.760 4.638 0.122 1
1 171 . 14 1 1 A 28 28 THR CA C 28 60.685 61.204 -0.519 1
1 172 . 14 1 1 A 28 28 THR CB C 28 71.252 69.838 1.414 1
1 174 . 14 1 1 A 28 28 THR N N 28 118.938 122.194 -3.256 1
1 175 . 14 1 1 A 29 29 VAL H H 29 8.612 8.862 -0.250 1
1 176 . 14 1 1 A 29 29 VAL HA H 29 3.532 3.653 -0.121 1
1 184 . 14 1 1 A 29 29 VAL CA C 29 66.349 66.677 -0.328 1
1 185 . 14 1 1 A 29 29 VAL CB C 29 31.799 31.526 0.273 1
1 188 . 14 1 1 A 29 29 VAL N N 29 119.411 121.983 -2.572 1
1 189 . 14 1 1 A 30 30 GLU H H 30 8.432 8.436 -0.004 1
1 190 . 14 1 1 A 30 30 GLU HA H 30 4.011 4.010 0.001 1
1 195 . 14 1 1 A 30 30 GLU CA C 30 59.597 59.615 -0.018 1
1 196 . 14 1 1 A 30 30 GLU CB C 30 28.912 28.987 -0.075 1
1 198 . 14 1 1 A 30 30 GLU N N 30 119.890 118.624 1.266 1
1 199 . 14 1 1 A 31 31 GLU H H 31 7.737 8.098 -0.361 1
1 200 . 14 1 1 A 31 31 GLU HA H 31 3.604 4.184 -0.580 1
1 205 . 14 1 1 A 31 31 GLU CA C 31 58.718 58.921 -0.203 1
1 206 . 14 1 1 A 31 31 GLU CB C 31 30.666 29.320 1.346 1
1 208 . 14 1 1 A 31 31 GLU N N 31 120.821 121.343 -0.522 1
1 209 . 14 1 1 A 32 32 ARG H H 32 8.382 8.115 0.267 1
1 210 . 14 1 1 A 32 32 ARG HA H 32 3.998 4.344 -0.346 1
1 213 . 14 1 1 A 32 32 ARG CA C 32 57.356 59.379 -2.023 1
1 214 . 14 1 1 A 32 32 ARG CB C 32 28.870 30.126 -1.256 1
1 215 . 14 1 1 A 32 32 ARG N N 32 117.523 120.909 -3.386 1
1 216 . 14 1 1 A 33 33 ALA H H 33 7.919 8.695 -0.776 1
1 217 . 14 1 1 A 33 33 ALA HA H 33 4.248 3.999 0.249 1
1 221 . 14 1 1 A 33 33 ALA CA C 33 55.007 55.036 -0.029 1
1 222 . 14 1 1 A 33 33 ALA CB C 33 17.601 18.508 -0.907 1
1 223 . 14 1 1 A 33 33 ALA N N 33 119.982 120.862 -0.880 1
1 224 . 14 1 1 A 34 34 LYS H H 34 7.212 8.124 -0.912 1
1 225 . 14 1 1 A 34 34 LYS HA H 34 4.194 4.160 0.034 1
1 234 . 14 1 1 A 34 34 LYS CA C 34 58.852 59.674 -0.822 1
1 235 . 14 1 1 A 34 34 LYS CB C 34 31.598 32.348 -0.750 1
1 239 . 14 1 1 A 34 34 LYS N N 34 119.567 119.138 0.429 1
1 240 . 14 1 1 A 35 35 HIS H H 35 8.814 8.438 0.376 1
1 241 . 14 1 1 A 35 35 HIS HA H 35 4.923 4.414 0.509 1
1 244 . 14 1 1 A 35 35 HIS CA C 35 57.821 58.937 -1.116 1
1 245 . 14 1 1 A 35 35 HIS CB C 35 29.950 28.860 1.090 1
1 246 . 14 1 1 A 35 35 HIS N N 35 122.252 117.281 4.971 1
1 247 . 14 1 1 A 36 36 ASP H H 36 9.292 7.891 1.401 1
1 248 . 14 1 1 A 36 36 ASP HA H 36 4.454 4.058 0.396 1
1 251 . 14 1 1 A 36 36 ASP CA C 36 57.305 57.450 -0.145 1
1 252 . 14 1 1 A 36 36 ASP CB C 36 39.889 41.379 -1.490 1
1 253 . 14 1 1 A 36 36 ASP N N 36 118.831 122.375 -3.544 1
1 254 . 14 1 1 A 37 37 GLN H H 37 7.673 8.179 -0.506 1
1 255 . 14 1 1 A 37 37 GLN HA H 37 4.241 4.084 0.157 1
1 262 . 14 1 1 A 37 37 GLN CA C 37 59.019 58.995 0.024 1
1 263 . 14 1 1 A 37 37 GLN CB C 37 28.315 28.529 -0.214 1
1 265 . 14 1 1 A 37 37 GLN N N 37 120.072 118.306 1.766 1
1 266 . 14 1 1 A 38 38 GLN H H 38 8.329 7.994 0.335 1
1 267 . 14 1 1 A 38 38 GLN HA H 38 4.040 4.238 -0.198 1
1 274 . 14 1 1 A 38 38 GLN CA C 38 58.734 58.980 -0.246 1
1 275 . 14 1 1 A 38 38 GLN CB C 38 28.549 28.771 -0.222 1
1 277 . 14 1 1 A 38 38 GLN N N 38 120.847 119.933 0.914 1
1 279 . 14 1 1 A 39 39 PHE H H 39 9.453 8.741 0.712 1
1 280 . 14 1 1 A 39 39 PHE HA H 39 2.811 4.182 -1.371 1
1 286 . 14 1 1 A 39 39 PHE CA C 39 61.602 61.474 0.128 1
1 287 . 14 1 1 A 39 39 PHE CB C 39 38.799 38.544 0.255 1
1 291 . 14 1 1 A 39 39 PHE N N 39 123.507 121.742 1.765 1
1 292 . 14 1 1 A 40 40 HIS H H 40 8.096 8.468 -0.372 1
1 293 . 14 1 1 A 40 40 HIS HA H 40 3.884 3.976 -0.092 1
1 297 . 14 1 1 A 40 40 HIS CA C 40 59.910 59.989 -0.079 1
1 298 . 14 1 1 A 40 40 HIS CB C 40 29.558 29.540 0.018 1
1 300 . 14 1 1 A 40 40 HIS N N 40 114.319 118.698 -4.379 1
1 301 . 14 1 1 A 41 41 SER H H 41 7.818 8.004 -0.186 1
1 302 . 14 1 1 A 41 41 SER HA H 41 4.300 4.150 0.150 1
1 305 . 14 1 1 A 41 41 SER CA C 41 60.851 61.680 -0.829 1
1 306 . 14 1 1 A 41 41 SER CB C 41 62.612 63.253 -0.641 1
1 307 . 14 1 1 A 41 41 SER N N 41 116.677 115.360 1.317 1
1 308 . 14 1 1 A 42 42 LEU H H 42 7.079 7.440 -0.361 1
1 309 . 14 1 1 A 42 42 LEU HA H 42 4.071 4.293 -0.222 1
1 319 . 14 1 1 A 42 42 LEU CA C 42 54.685 54.817 -0.132 1
1 320 . 14 1 1 A 42 42 LEU CB C 42 40.874 42.000 -1.126 1
1 324 . 14 1 1 A 42 42 LEU N N 42 121.868 117.964 3.904 1
1 325 . 14 1 1 A 43 43 LYS H H 43 7.345 7.729 -0.384 1
1 326 . 14 1 1 A 43 43 LYS HA H 43 3.877 3.766 0.111 1
1 335 . 14 1 1 A 43 43 LYS CA C 43 56.035 56.592 -0.557 1
1 336 . 14 1 1 A 43 43 LYS CB C 43 28.886 30.366 -1.480 1
1 340 . 14 1 1 A 43 43 LYS N N 43 110.393 116.304 -5.911 1
1 341 . 14 1 1 A 44 44 PRO HA H 44 4.239 4.306 -0.067 1
1 348 . 14 1 1 A 44 44 PRO CA C 44 62.424 62.459 -0.035 1
1 349 . 14 1 1 A 44 44 PRO CB C 44 32.413 31.300 1.113 1
1 352 . 14 1 1 A 45 45 ILE H H 45 8.586 8.299 0.287 1
1 353 . 14 1 1 A 45 45 ILE HA H 45 4.337 3.813 0.524 1
1 363 . 14 1 1 A 45 45 ILE CA C 45 60.170 60.400 -0.230 1
1 364 . 14 1 1 A 45 45 ILE CB C 45 39.143 36.168 2.975 1
1 368 . 14 1 1 A 45 45 ILE N N 45 120.985 122.563 -1.578 1
1 369 . 14 1 1 A 46 46 SER H H 46 9.512 8.288 1.224 1
1 370 . 14 1 1 A 46 46 SER HA H 46 4.055 3.956 0.099 1
1 373 . 14 1 1 A 46 46 SER CA C 46 58.483 60.887 -2.404 1
1 374 . 14 1 1 A 46 46 SER CB C 46 62.174 61.568 0.606 1
1 375 . 14 1 1 A 46 46 SER N N 46 124.158 121.491 2.667 1
1 376 . 14 1 1 A 47 47 GLY H H 47 8.555 8.359 0.196 1
1 377 . 14 1 1 A 47 47 GLY HA2 H 47 4.020 4.024 -0.004 1
1 378 . 14 1 1 A 47 47 GLY HA3 H 47 3.531 4.155 -0.624 1
1 379 . 14 1 1 A 47 47 GLY CA C 47 44.328 45.625 -1.297 1
1 380 . 14 1 1 A 47 47 GLY N N 47 162.194 107.341 54.853 1
1 381 . 14 1 1 A 48 48 PHE H H 48 7.710 7.167 0.543 1
1 382 . 14 1 1 A 48 48 PHE HA H 48 5.783 5.436 0.347 1
1 387 . 14 1 1 A 48 48 PHE CA C 48 56.732 56.141 0.591 1
1 388 . 14 1 1 A 48 48 PHE CB C 48 43.784 41.582 2.202 1
1 391 . 14 1 1 A 48 48 PHE N N 48 115.641 115.135 0.506 1
1 392 . 14 1 1 A 49 49 ILE H H 49 9.141 8.952 0.189 1
1 393 . 14 1 1 A 49 49 ILE HA H 49 4.908 5.149 -0.241 1
1 403 . 14 1 1 A 49 49 ILE CA C 49 59.368 59.335 0.033 1
1 404 . 14 1 1 A 49 49 ILE CB C 49 39.945 42.279 -2.334 1
1 408 . 14 1 1 A 49 49 ILE N N 49 114.692 116.831 -2.139 1
1 409 . 14 1 1 A 50 50 THR H H 50 8.700 8.230 0.470 1
1 410 . 14 1 1 A 50 50 THR HA H 50 4.473 4.848 -0.375 1
1 415 . 14 1 1 A 50 50 THR CA C 50 60.914 60.854 0.060 1
1 416 . 14 1 1 A 50 50 THR CB C 50 70.829 72.638 -1.809 1
1 418 . 14 1 1 A 50 50 THR N N 50 112.658 114.175 -1.517 1
1 419 . 14 1 1 A 51 51 GLY H H 51 8.778 9.067 -0.289 1
1 420 . 14 1 1 A 51 51 GLY HA2 H 51 3.790 3.438 0.352 1
1 421 . 14 1 1 A 51 51 GLY HA3 H 51 3.713 3.548 0.165 1
1 422 . 14 1 1 A 51 51 GLY CA C 51 48.310 47.230 1.080 1
1 423 . 14 1 1 A 51 51 GLY N N 51 108.204 111.409 -3.205 1
1 424 . 14 1 1 A 52 52 ASP H H 52 8.225 7.850 0.375 1
1 425 . 14 1 1 A 52 52 ASP HA H 52 4.216 4.172 0.044 1
1 428 . 14 1 1 A 52 52 ASP CA C 52 57.344 56.754 0.590 1
1 429 . 14 1 1 A 52 52 ASP CB C 52 40.304 40.383 -0.079 1
1 430 . 14 1 1 A 52 52 ASP N N 52 119.404 121.526 -2.122 1
1 431 . 14 1 1 A 53 53 GLN H H 53 7.810 7.784 0.026 1
1 432 . 14 1 1 A 53 53 GLN HA H 53 3.969 4.011 -0.042 1
1 439 . 14 1 1 A 53 53 GLN CA C 53 58.673 58.689 -0.016 1
1 440 . 14 1 1 A 53 53 GLN CB C 53 29.794 28.333 1.461 1
1 442 . 14 1 1 A 53 53 GLN N N 53 118.935 118.575 0.360 1
1 444 . 14 1 1 A 54 54 ALA H H 54 8.293 8.075 0.218 1
1 445 . 14 1 1 A 54 54 ALA HA H 54 3.642 3.631 0.011 1
1 449 . 14 1 1 A 54 54 ALA CA C 54 55.243 55.017 0.226 1
1 450 . 14 1 1 A 54 54 ALA CB C 54 19.448 17.676 1.772 1
1 451 . 14 1 1 A 54 54 ALA N N 54 120.858 122.414 -1.556 1
1 452 . 14 1 1 A 55 55 ARG H H 55 8.744 7.997 0.747 1
1 453 . 14 1 1 A 55 55 ARG HA H 55 3.795 3.865 -0.070 1
1 460 . 14 1 1 A 55 55 ARG CA C 55 60.628 59.639 0.989 1
1 461 . 14 1 1 A 55 55 ARG CB C 55 30.224 30.090 0.134 1
1 464 . 14 1 1 A 55 55 ARG N N 55 115.211 117.590 -2.379 1
1 465 . 14 1 1 A 56 56 ASN H H 56 8.056 7.835 0.221 1
1 466 . 14 1 1 A 56 56 ASN HA H 56 4.470 4.543 -0.073 1
1 471 . 14 1 1 A 56 56 ASN CA C 56 56.091 56.237 -0.146 1
1 472 . 14 1 1 A 56 56 ASN CB C 56 38.069 38.873 -0.804 1
1 473 . 14 1 1 A 56 56 ASN N N 56 116.543 118.531 -1.988 1
1 475 . 14 1 1 A 57 57 PHE H H 57 7.567 7.876 -0.309 1
1 476 . 14 1 1 A 57 57 PHE HA H 57 4.517 4.351 0.166 1
1 481 . 14 1 1 A 57 57 PHE CA C 57 61.373 61.344 0.029 1
1 482 . 14 1 1 A 57 57 PHE CB C 57 39.518 38.737 0.781 1
1 485 . 14 1 1 A 57 57 PHE N N 57 121.111 120.081 1.030 1
1 486 . 14 1 1 A 58 58 PHE H H 58 8.995 8.189 0.806 1
1 487 . 14 1 1 A 58 58 PHE HA H 58 4.501 4.327 0.174 1
1 491 . 14 1 1 A 58 58 PHE CA C 58 57.190 61.358 -4.168 1
1 492 . 14 1 1 A 58 58 PHE CB C 58 37.236 38.802 -1.566 1
1 494 . 14 1 1 A 58 58 PHE N N 58 119.594 117.846 1.748 1
1 495 . 14 1 1 A 59 59 PHE H H 59 8.510 8.489 0.021 1
1 496 . 14 1 1 A 59 59 PHE HA H 59 4.296 4.176 0.120 1
1 500 . 14 1 1 A 59 59 PHE CA C 59 60.456 61.370 -0.914 1
1 501 . 14 1 1 A 59 59 PHE CB C 59 38.914 38.968 -0.054 1
1 503 . 14 1 1 A 59 59 PHE N N 59 120.834 119.119 1.715 1
1 504 . 14 1 1 A 60 60 GLN H H 60 7.652 8.490 -0.838 1
1 505 . 14 1 1 A 60 60 GLN HA H 60 4.056 3.961 0.095 1
1 512 . 14 1 1 A 60 60 GLN CA C 60 57.133 58.605 -1.472 1
1 513 . 14 1 1 A 60 60 GLN CB C 60 27.771 28.149 -0.378 1
1 515 . 14 1 1 A 60 60 GLN N N 60 116.464 118.646 -2.182 1
1 517 . 14 1 1 A 61 61 SER H H 61 7.823 7.339 0.484 1
1 518 . 14 1 1 A 61 61 SER HA H 61 3.985 4.405 -0.420 1
1 521 . 14 1 1 A 61 61 SER CA C 61 60.571 58.252 2.319 1
1 522 . 14 1 1 A 61 61 SER CB C 61 65.277 63.553 1.724 1
1 523 . 14 1 1 A 61 61 SER N N 61 113.448 111.777 1.671 1
1 524 . 14 1 1 A 62 62 GLY H H 62 7.478 8.588 -1.110 1
1 525 . 14 1 1 A 62 62 GLY HA2 H 62 4.115 3.723 0.392 1
1 526 . 14 1 1 A 62 62 GLY HA3 H 62 3.699 3.844 -0.145 1
1 527 . 14 1 1 A 62 62 GLY CA C 62 45.445 46.297 -0.852 1
1 528 . 14 1 1 A 62 62 GLY N N 62 108.189 110.169 -1.980 1
1 529 . 14 1 1 A 63 63 LEU H H 63 7.282 7.719 -0.437 1
1 530 . 14 1 1 A 63 63 LEU HA H 63 4.471 4.708 -0.237 1
1 540 . 14 1 1 A 63 63 LEU CA C 63 52.971 51.308 1.663 1
1 541 . 14 1 1 A 63 63 LEU CB C 63 41.597 44.236 -2.639 1
1 545 . 14 1 1 A 63 63 LEU N N 63 120.356 120.791 -0.435 1
1 546 . 14 1 1 A 64 64 PRO HA H 64 4.559 4.683 -0.124 1
1 553 . 14 1 1 A 64 64 PRO CA C 64 63.039 62.541 0.498 1
1 554 . 14 1 1 A 64 64 PRO CB C 64 33.402 32.687 0.715 1
1 557 . 14 1 1 A 65 65 GLN H H 65 9.289 9.122 0.167 1
1 558 . 14 1 1 A 65 65 GLN HA H 65 4.194 4.239 -0.045 1
1 563 . 14 1 1 A 65 65 GLN CA C 65 61.180 60.540 0.640 1
1 564 . 14 1 1 A 65 65 GLN CB C 65 25.845 27.159 -1.314 1
1 566 . 14 1 1 A 65 65 GLN N N 65 122.729 123.212 -0.483 1
1 567 . 14 1 1 A 66 66 PRO HA H 66 4.399 4.441 -0.042 1
1 574 . 14 1 1 A 66 66 PRO CA C 66 65.956 65.461 0.495 1
1 575 . 14 1 1 A 66 66 PRO CB C 66 30.665 31.114 -0.449 1
1 578 . 14 1 1 A 67 67 VAL H H 67 6.875 7.276 -0.401 1
1 579 . 14 1 1 A 67 67 VAL HA H 67 3.930 3.818 0.112 1
1 587 . 14 1 1 A 67 67 VAL CA C 67 64.811 65.150 -0.339 1
1 588 . 14 1 1 A 67 67 VAL CB C 67 31.581 31.386 0.195 1
1 591 . 14 1 1 A 67 67 VAL N N 67 117.350 117.094 0.256 1
1 592 . 14 1 1 A 68 68 LEU H H 68 7.965 8.146 -0.181 1
1 593 . 14 1 1 A 68 68 LEU HA H 68 3.955 4.050 -0.095 1
1 603 . 14 1 1 A 68 68 LEU CA C 68 57.878 57.995 -0.117 1
1 604 . 14 1 1 A 68 68 LEU CB C 68 40.821 41.645 -0.824 1
1 608 . 14 1 1 A 68 68 LEU N N 68 119.980 120.289 -0.309 1
1 609 . 14 1 1 A 69 69 ALA H H 69 8.577 8.511 0.066 1
1 610 . 14 1 1 A 69 69 ALA HA H 69 4.375 4.295 0.080 1
1 614 . 14 1 1 A 69 69 ALA CA C 69 55.128 55.350 -0.222 1
1 615 . 14 1 1 A 69 69 ALA CB C 69 17.533 18.333 -0.800 1
1 616 . 14 1 1 A 69 69 ALA N N 69 122.731 121.578 1.153 1
1 617 . 14 1 1 A 70 70 GLN H H 70 7.534 7.883 -0.349 1
1 618 . 14 1 1 A 70 70 GLN HA H 70 4.190 3.983 0.207 1
1 625 . 14 1 1 A 70 70 GLN CA C 70 58.623 58.941 -0.318 1
1 626 . 14 1 1 A 70 70 GLN CB C 70 28.349 28.142 0.207 1
1 628 . 14 1 1 A 70 70 GLN N N 70 120.846 117.748 3.098 1
1 630 . 14 1 1 A 71 71 ILE H H 71 8.170 7.697 0.473 1
1 631 . 14 1 1 A 71 71 ILE HA H 71 3.455 3.612 -0.157 1
1 641 . 14 1 1 A 71 71 ILE CA C 71 66.530 65.206 1.324 1
1 642 . 14 1 1 A 71 71 ILE CB C 71 37.768 37.446 0.322 1
1 646 . 14 1 1 A 71 71 ILE N N 71 120.351 119.626 0.725 1
1 647 . 14 1 1 A 72 72 TRP H H 72 8.473 8.281 0.192 1
1 648 . 14 1 1 A 72 72 TRP HA H 72 3.845 4.400 -0.555 1
1 657 . 14 1 1 A 72 72 TRP CA C 72 61.144 61.377 -0.233 1
1 658 . 14 1 1 A 72 72 TRP CB C 72 28.496 29.410 -0.914 1
1 664 . 14 1 1 A 72 72 TRP N N 72 119.417 121.527 -2.110 1
1 666 . 14 1 1 A 73 73 ALA H H 73 7.647 8.590 -0.943 1
1 667 . 14 1 1 A 73 73 ALA HA H 73 4.012 3.840 0.172 1
1 671 . 14 1 1 A 73 73 ALA CA C 73 54.154 55.041 -0.887 1
1 672 . 14 1 1 A 73 73 ALA CB C 73 18.059 18.187 -0.128 1
1 673 . 14 1 1 A 73 73 ALA N N 73 116.148 121.476 -5.328 1
1 674 . 14 1 1 A 74 74 LEU H H 74 7.493 7.375 0.118 1
1 675 . 14 1 1 A 74 74 LEU HA H 74 3.947 4.142 -0.195 1
1 685 . 14 1 1 A 74 74 LEU CA C 74 56.478 57.116 -0.638 1
1 686 . 14 1 1 A 74 74 LEU CB C 74 43.726 42.165 1.561 1
1 690 . 14 1 1 A 74 74 LEU N N 74 115.647 119.123 -3.476 1
1 691 . 14 1 1 A 75 75 ALA H H 75 7.952 7.831 0.121 1
1 692 . 14 1 1 A 75 75 ALA HA H 75 4.019 4.174 -0.155 1
1 696 . 14 1 1 A 75 75 ALA CA C 75 53.982 55.435 -1.453 1
1 697 . 14 1 1 A 75 75 ALA CB C 75 19.913 19.073 0.840 1
1 698 . 14 1 1 A 75 75 ALA N N 75 118.000 121.120 -3.120 1
1 699 . 14 1 1 A 76 76 ASP H H 76 7.798 7.889 -0.091 1
1 700 . 14 1 1 A 76 76 ASP HA H 76 4.587 4.721 -0.134 1
1 703 . 14 1 1 A 76 76 ASP CA C 76 51.849 53.469 -1.620 1
1 704 . 14 1 1 A 76 76 ASP CB C 76 36.265 40.100 -3.835 1
1 705 . 14 1 1 A 76 76 ASP N N 76 114.297 114.999 -0.702 1
1 706 . 14 1 1 A 77 77 MET H H 77 8.077 8.467 -0.390 1
1 707 . 14 1 1 A 77 77 MET HA H 77 3.867 4.059 -0.192 1
1 715 . 14 1 1 A 77 77 MET CA C 77 59.024 58.060 0.964 1
1 716 . 14 1 1 A 77 77 MET CB C 77 34.550 32.066 2.484 1
1 719 . 14 1 1 A 77 77 MET N N 77 123.959 121.688 2.271 1
1 720 . 14 1 1 A 78 78 ASN H H 78 7.801 7.840 -0.039 1
1 721 . 14 1 1 A 78 78 ASN HA H 78 4.839 4.702 0.137 1
1 726 . 14 1 1 A 78 78 ASN CA C 78 50.889 54.865 -3.976 1
1 727 . 14 1 1 A 78 78 ASN CB C 78 37.028 38.948 -1.920 1
1 728 . 14 1 1 A 78 78 ASN N N 78 112.247 118.548 -6.301 1
1 730 . 14 1 1 A 79 79 ASN H H 79 8.019 8.431 -0.412 1
1 731 . 14 1 1 A 79 79 ASN HA H 79 4.380 4.552 -0.172 1
1 736 . 14 1 1 A 79 79 ASN CA C 79 54.319 53.925 0.394 1
1 737 . 14 1 1 A 79 79 ASN CB C 79 37.867 36.829 1.038 1
1 738 . 14 1 1 A 79 79 ASN N N 79 116.050 117.078 -1.028 1
1 740 . 14 1 1 A 80 80 ASP H H 80 8.019 8.295 -0.276 1
1 741 . 14 1 1 A 80 80 ASP HA H 80 4.784 4.769 0.015 1
1 744 . 14 1 1 A 80 80 ASP CA C 80 52.672 54.133 -1.461 1
1 745 . 14 1 1 A 80 80 ASP CB C 80 41.585 41.918 -0.333 1
1 746 . 14 1 1 A 80 80 ASP N N 80 115.620 121.511 -5.891 1
1 747 . 14 1 1 A 81 81 GLY H H 81 10.345 8.376 1.969 1
1 748 . 14 1 1 A 81 81 GLY HA2 H 81 4.339 4.207 0.132 1
1 749 . 14 1 1 A 81 81 GLY HA3 H 81 4.044 4.483 -0.439 1
1 750 . 14 1 1 A 81 81 GLY CA C 81 46.560 46.628 -0.068 1
1 751 . 14 1 1 A 81 81 GLY N N 81 112.191 107.652 4.539 1
1 752 . 14 1 1 A 82 82 ARG H H 82 8.365 8.165 0.200 1
1 753 . 14 1 1 A 82 82 ARG HA H 82 5.105 4.745 0.360 1
1 760 . 14 1 1 A 82 82 ARG CA C 82 53.982 57.608 -3.626 1
1 761 . 14 1 1 A 82 82 ARG CB C 82 33.303 33.182 0.121 1
1 764 . 14 1 1 A 82 82 ARG N N 82 117.518 119.614 -2.096 1
1 765 . 14 1 1 A 83 83 MET H H 83 9.038 8.230 0.808 1
1 766 . 14 1 1 A 83 83 MET HA H 83 6.142 4.430 1.712 1
1 774 . 14 1 1 A 83 83 MET CA C 83 55.586 56.135 -0.549 1
1 775 . 14 1 1 A 83 83 MET CB C 83 38.610 30.328 8.282 1
1 778 . 14 1 1 A 83 83 MET N N 83 120.510 118.462 2.048 1
1 779 . 14 1 1 A 84 84 ASP H H 84 7.586 8.779 -1.193 1
1 780 . 14 1 1 A 84 84 ASP HA H 84 5.259 4.820 0.439 1
1 783 . 14 1 1 A 84 84 ASP CA C 84 51.182 53.088 -1.906 1
1 784 . 14 1 1 A 84 84 ASP CB C 84 42.047 42.268 -0.221 1
1 785 . 14 1 1 A 84 84 ASP N N 84 122.321 124.385 -2.064 1
1 786 . 14 1 1 A 85 85 GLN H H 85 7.988 8.588 -0.600 1
1 787 . 14 1 1 A 85 85 GLN HA H 85 2.609 3.830 -1.221 1
1 794 . 14 1 1 A 85 85 GLN CA C 85 58.909 58.385 0.524 1
1 795 . 14 1 1 A 85 85 GLN CB C 85 29.346 28.053 1.293 1
1 797 . 14 1 1 A 85 85 GLN N N 85 115.617 123.545 -7.928 1
1 799 . 14 1 1 A 86 86 VAL H H 86 7.357 7.845 -0.488 1
1 800 . 14 1 1 A 86 86 VAL HA H 86 3.557 3.385 0.172 1
1 808 . 14 1 1 A 86 86 VAL CA C 86 66.117 66.537 -0.420 1
1 809 . 14 1 1 A 86 86 VAL CB C 86 31.538 31.726 -0.188 1
1 812 . 14 1 1 A 86 86 VAL N N 86 120.551 121.070 -0.519 1
1 813 . 14 1 1 A 87 87 GLU H H 87 8.375 8.110 0.265 1
1 814 . 14 1 1 A 87 87 GLU HA H 87 3.908 4.069 -0.161 1
1 819 . 14 1 1 A 87 87 GLU CA C 87 59.424 59.270 0.154 1
1 820 . 14 1 1 A 87 87 GLU CB C 87 31.466 29.437 2.029 1
1 822 . 14 1 1 A 87 87 GLU N N 87 119.417 119.113 0.304 1
1 823 . 14 1 1 A 88 88 PHE H H 88 8.482 8.827 -0.345 1
1 824 . 14 1 1 A 88 88 PHE HA H 88 4.427 4.167 0.260 1
1 828 . 14 1 1 A 88 88 PHE CA C 88 62.061 61.408 0.653 1
1 829 . 14 1 1 A 88 88 PHE CB C 88 40.726 38.701 2.025 1
1 831 . 14 1 1 A 88 88 PHE N N 88 117.094 122.660 -5.566 1
1 832 . 14 1 1 A 89 89 SER H H 89 7.490 7.926 -0.436 1
1 833 . 14 1 1 A 89 89 SER HA H 89 4.763 4.057 0.706 1
1 836 . 14 1 1 A 89 89 SER CA C 89 59.783 61.779 -1.996 1
1 837 . 14 1 1 A 89 89 SER CB C 89 59.544 62.787 -3.243 1
1 838 . 14 1 1 A 89 89 SER N N 89 113.424 114.786 -1.362 1
1 839 . 14 1 1 A 90 90 ILE H H 90 8.034 7.677 0.357 1
1 840 . 14 1 1 A 90 90 ILE HA H 90 3.506 3.890 -0.384 1
1 850 . 14 1 1 A 90 90 ILE CA C 90 66.098 63.470 2.628 1
1 851 . 14 1 1 A 90 90 ILE CB C 90 37.905 37.600 0.305 1
1 855 . 14 1 1 A 90 90 ILE N N 90 118.472 121.057 -2.585 1
1 856 . 14 1 1 A 91 91 ALA H H 91 8.197 7.773 0.424 1
1 857 . 14 1 1 A 91 91 ALA HA H 91 4.286 4.053 0.233 1
1 861 . 14 1 1 A 91 91 ALA CA C 91 52.435 55.266 -2.831 1
1 862 . 14 1 1 A 91 91 ALA CB C 91 19.091 17.999 1.092 1
1 863 . 14 1 1 A 91 91 ALA N N 91 119.275 124.010 -4.735 1
1 864 . 14 1 1 A 92 92 MET H H 92 8.183 8.079 0.104 1
1 865 . 14 1 1 A 92 92 MET HA H 92 4.268 4.299 -0.031 1
1 870 . 14 1 1 A 92 92 MET CA C 92 55.643 57.748 -2.105 1
1 871 . 14 1 1 A 92 92 MET CB C 92 29.521 32.053 -2.532 1
1 873 . 14 1 1 A 92 92 MET N N 92 118.681 115.978 2.703 1
1 874 . 14 1 1 A 93 93 LYS H H 93 8.172 7.916 0.256 1
1 875 . 14 1 1 A 93 93 LYS HA H 93 4.006 4.133 -0.127 1
1 878 . 14 1 1 A 93 93 LYS CA C 93 56.840 59.220 -2.380 1
1 879 . 14 1 1 A 93 93 LYS CB C 93 32.830 31.990 0.840 1
1 880 . 14 1 1 A 93 93 LYS N N 93 120.362 119.907 0.455 1
1 881 . 14 1 1 A 94 94 LEU H H 94 8.017 7.880 0.137 1
1 882 . 14 1 1 A 94 94 LEU HA H 94 3.884 4.068 -0.184 1
1 892 . 14 1 1 A 94 94 LEU CA C 94 58.234 58.218 0.016 1
1 893 . 14 1 1 A 94 94 LEU CB C 94 42.050 41.210 0.840 1
1 897 . 14 1 1 A 94 94 LEU N N 94 114.192 119.174 -4.982 1
1 898 . 14 1 1 A 95 95 ILE H H 95 8.377 7.745 0.632 1
1 899 . 14 1 1 A 95 95 ILE HA H 95 3.254 3.520 -0.266 1
1 909 . 14 1 1 A 95 95 ILE CA C 95 66.013 65.836 0.177 1
1 910 . 14 1 1 A 95 95 ILE CB C 95 38.284 37.981 0.303 1
1 914 . 14 1 1 A 95 95 ILE N N 95 118.949 120.162 -1.213 1
1 915 . 14 1 1 A 96 96 LYS H H 96 7.751 8.080 -0.329 1
1 916 . 14 1 1 A 96 96 LYS HA H 96 3.928 3.998 -0.070 1
1 925 . 14 1 1 A 96 96 LYS CA C 96 59.701 59.699 0.002 1
1 926 . 14 1 1 A 96 96 LYS CB C 96 32.286 31.917 0.369 1
1 930 . 14 1 1 A 96 96 LYS N N 96 119.637 121.082 -1.445 1
1 931 . 14 1 1 A 97 97 LEU H H 97 8.382 7.757 0.625 1
1 932 . 14 1 1 A 97 97 LEU HA H 97 4.006 4.028 -0.022 1
1 942 . 14 1 1 A 97 97 LEU CA C 97 57.363 56.883 0.480 1
1 943 . 14 1 1 A 97 97 LEU CB C 97 40.459 41.297 -0.838 1
1 947 . 14 1 1 A 97 97 LEU N N 97 117.727 120.676 -2.949 1
1 948 . 14 1 1 A 98 98 LYS H H 98 8.761 8.496 0.265 1
1 949 . 14 1 1 A 98 98 LYS HA H 98 4.548 4.454 0.094 1
1 958 . 14 1 1 A 98 98 LYS CA C 98 57.477 58.964 -1.487 1
1 959 . 14 1 1 A 98 98 LYS CB C 98 31.294 31.901 -0.607 1
1 963 . 14 1 1 A 98 98 LYS N N 98 122.255 119.494 2.761 1
1 964 . 14 1 1 A 99 99 LEU H H 99 8.798 8.419 0.379 1
1 965 . 14 1 1 A 99 99 LEU HA H 99 4.100 4.092 0.008 1
1 975 . 14 1 1 A 99 99 LEU CA C 99 57.878 57.125 0.753 1
1 976 . 14 1 1 A 99 99 LEU CB C 99 41.605 41.320 0.285 1
1 980 . 14 1 1 A 99 99 LEU N N 99 122.214 119.286 2.928 1
1 981 . 14 1 1 A 100 100 GLN H H 100 7.749 7.716 0.033 1
1 982 . 14 1 1 A 100 100 GLN HA H 100 4.285 4.363 -0.078 1
1 989 . 14 1 1 A 100 100 GLN CA C 100 56.503 55.698 0.805 1
1 990 . 14 1 1 A 100 100 GLN CB C 100 29.576 29.434 0.142 1
1 992 . 14 1 1 A 100 100 GLN N N 100 116.914 116.779 0.135 1
1 993 . 14 1 1 A 101 101 GLY H H 101 7.910 8.039 -0.129 1
1 994 . 14 1 1 A 101 101 GLY HA2 H 101 4.262 3.963 0.299 1
1 995 . 14 1 1 A 101 101 GLY HA3 H 101 3.661 3.966 -0.305 1
1 996 . 14 1 1 A 101 101 GLY CA C 101 44.884 46.415 -1.531 1
1 997 . 14 1 1 A 101 101 GLY N N 101 106.044 109.282 -3.238 1
1 998 . 14 1 1 A 102 102 TYR H H 102 8.078 7.656 0.422 1
1 999 . 14 1 1 A 102 102 TYR HA H 102 4.311 4.587 -0.276 1
1 1006 . 14 1 1 A 102 102 TYR CA C 102 59.253 57.603 1.650 1
1 1007 . 14 1 1 A 102 102 TYR CB C 102 37.849 40.056 -2.207 1
1 1010 . 14 1 1 A 102 102 TYR N N 102 120.876 118.310 2.566 1
1 1011 . 14 1 1 A 103 103 GLN H H 103 8.610 8.720 -0.110 1
1 1012 . 14 1 1 A 103 103 GLN HA H 103 4.280 4.929 -0.649 1
1 1015 . 14 1 1 A 103 103 GLN CA C 103 56.620 54.406 2.214 1
1 1016 . 14 1 1 A 103 103 GLN CB C 103 29.100 32.034 -2.934 1
1 1017 . 14 1 1 A 103 103 GLN N N 103 119.785 118.638 1.147 1
1 1018 . 14 1 1 A 105 105 PRO HA H 105 4.631 4.652 -0.021 1
1 1025 . 14 1 1 A 105 105 PRO CA C 105 61.602 62.241 -0.639 1
1 1026 . 14 1 1 A 105 105 PRO CB C 105 31.690 33.319 -1.629 1
1 1029 . 14 1 1 A 106 106 SER H H 106 8.485 8.723 -0.238 1
1 1030 . 14 1 1 A 106 106 SER HA H 106 4.183 4.180 0.003 1
1 1033 . 14 1 1 A 106 106 SER CA C 106 59.525 60.170 -0.645 1
1 1034 . 14 1 1 A 106 106 SER CB C 106 63.078 63.005 0.073 1
1 1035 . 14 1 1 A 106 106 SER N N 106 112.361 115.713 -3.352 1
1 1036 . 14 1 1 A 107 107 ALA H H 107 7.410 7.420 -0.010 1
1 1037 . 14 1 1 A 107 107 ALA HA H 107 4.308 4.344 -0.036 1
1 1041 . 14 1 1 A 107 107 ALA CA C 107 50.086 51.714 -1.628 1
1 1042 . 14 1 1 A 107 107 ALA CB C 107 21.253 18.280 2.973 1
1 1043 . 14 1 1 A 107 107 ALA N N 107 121.311 122.771 -1.460 1
1 1044 . 14 1 1 A 108 108 LEU H H 108 8.915 7.884 1.031 1
1 1045 . 14 1 1 A 108 108 LEU HA H 108 4.020 4.588 -0.568 1
1 1055 . 14 1 1 A 108 108 LEU CA C 108 52.990 52.769 0.221 1
1 1056 . 14 1 1 A 108 108 LEU CB C 108 42.041 41.822 0.219 1
1 1060 . 14 1 1 A 108 108 LEU N N 108 122.607 121.163 1.444 1
1 1061 . 14 1 1 A 110 110 PRO HA H 110 4.024 4.399 -0.375 1
1 1068 . 14 1 1 A 110 110 PRO CA C 110 65.440 64.229 1.211 1
1 1069 . 14 1 1 A 110 110 PRO CB C 110 31.638 31.901 -0.263 1
1 1072 . 14 1 1 A 111 111 VAL H H 111 8.118 7.484 0.634 1
1 1073 . 14 1 1 A 111 111 VAL HA H 111 3.986 3.846 0.140 1
1 1081 . 14 1 1 A 111 111 VAL CA C 111 63.779 65.139 -1.360 1
1 1082 . 14 1 1 A 111 111 VAL CB C 111 31.065 31.257 -0.192 1
1 1085 . 14 1 1 A 111 111 VAL N N 111 115.605 117.072 -1.467 1
1 1086 . 14 1 1 A 112 112 MET H H 112 7.908 7.540 0.368 1
1 1087 . 14 1 1 A 112 112 MET HA H 112 4.160 4.436 -0.276 1
1 1095 . 14 1 1 A 112 112 MET CA C 112 59.098 58.360 0.738 1
1 1096 . 14 1 1 A 112 112 MET CB C 112 34.024 33.232 0.792 1
1 1099 . 14 1 1 A 112 112 MET N N 112 118.943 118.770 0.173 1
1 1100 . 14 1 1 A 113 113 LYS H H 113 7.330 7.848 -0.518 1
1 1101 . 14 1 1 A 113 113 LYS HA H 113 4.182 4.102 0.080 1
1 1110 . 14 1 1 A 113 113 LYS CA C 113 55.987 58.759 -2.772 1
1 1111 . 14 1 1 A 113 113 LYS CB C 113 32.841 32.230 0.611 1
1 1115 . 14 1 1 A 113 113 LYS N N 113 112.617 118.083 -5.466 1
1 1116 . 14 1 1 A 114 114 GLN H H 114 7.114 7.710 -0.596 1
1 1117 . 14 1 1 A 114 114 GLN HA H 114 4.309 4.247 0.062 1
1 1124 . 14 1 1 A 114 114 GLN CA C 114 54.956 57.908 -2.952 1
1 1125 . 14 1 1 A 114 114 GLN CB C 114 29.241 27.313 1.928 1
1 1127 . 14 1 1 A 114 114 GLN N N 114 117.852 116.093 1.759 1
1 1129 . 14 1 1 A 115 115 GLN H H 115 8.556 8.523 0.033 1
1 1130 . 14 1 1 A 115 115 GLN HA H 115 4.501 4.756 -0.255 1
1 1137 . 14 1 1 A 115 115 GLN CA C 115 53.858 52.297 1.561 1
1 1138 . 14 1 1 A 115 115 GLN CB C 115 28.234 29.635 -1.401 1
1 1140 . 14 1 1 A 115 115 GLN N N 115 123.195 121.716 1.479 1
1 1142 . 14 1 1 A 116 116 PRO HA H 116 4.530 4.435 0.095 1
1 1149 . 14 1 1 A 116 116 PRO CA C 116 63.050 62.855 0.195 1
1 1150 . 14 1 1 A 116 116 PRO CB C 116 31.953 31.814 0.139 1
1 1153 . 14 1 1 A 117 117 VAL H H 117 8.345 8.236 0.109 1
1 1154 . 14 1 1 A 117 117 VAL HA H 117 4.167 4.172 -0.005 1
1 1162 . 14 1 1 A 117 117 VAL CA C 117 61.258 61.799 -0.541 1
1 1163 . 14 1 1 A 117 117 VAL CB C 117 33.724 32.363 1.361 1
1 1166 . 14 1 1 A 117 117 VAL N N 117 120.361 118.019 2.342 1
1 1167 . 14 1 1 A 118 118 ALA H H 118 8.470 8.455 0.015 1
1 1168 . 14 1 1 A 118 118 ALA HA H 118 4.452 4.333 0.119 1
1 1172 . 14 1 1 A 118 118 ALA CA C 118 51.678 51.522 0.156 1
1 1173 . 14 1 1 A 118 118 ALA CB C 118 19.260 18.013 1.247 1
1 1174 . 14 1 1 A 118 118 ALA N N 118 128.412 128.052 0.360 1
1 1175 . 14 1 1 A 119 119 ILE H H 119 8.250 8.370 -0.120 1
1 1176 . 14 1 1 A 119 119 ILE HA H 119 4.240 4.200 0.040 1
1 1186 . 14 1 1 A 119 119 ILE CA C 119 60.743 62.379 -1.636 1
1 1187 . 14 1 1 A 119 119 ILE CB C 119 38.914 38.325 0.589 1
1 1191 . 14 1 1 A 119 119 ILE N N 119 120.929 126.757 -5.828 1
1 1192 . 14 1 1 A 120 120 SER H H 120 8.413 8.379 0.034 1
1 1193 . 14 1 1 A 120 120 SER HA H 120 4.543 5.066 -0.523 1
1 1196 . 14 1 1 A 120 120 SER CA C 120 57.878 56.563 1.315 1
1 1197 . 14 1 1 A 120 120 SER CB C 120 63.951 65.872 -1.921 1
1 1198 . 14 1 1 A 120 120 SER N N 120 120.494 121.836 -1.342 1
1 1 . 15 1 1 A 12 12 ALA H H 12 8.223 8.739 -0.516 1
1 2 . 15 1 1 A 12 12 ALA HA H 12 4.220 4.719 -0.499 1
1 6 . 15 1 1 A 12 12 ALA CA C 12 52.323 50.850 1.473 1
1 7 . 15 1 1 A 12 12 ALA CB C 12 19.015 23.920 -4.905 1
1 8 . 15 1 1 A 12 12 ALA N N 12 124.624 125.882 -1.258 1
1 9 . 15 1 1 A 13 13 GLN H H 13 8.220 8.313 -0.093 1
1 10 . 15 1 1 A 13 13 GLN HA H 13 4.292 4.343 -0.051 1
1 13 . 15 1 1 A 13 13 GLN CA C 13 55.457 54.023 1.434 1
1 14 . 15 1 1 A 13 13 GLN CB C 13 29.804 29.590 0.214 1
1 15 . 15 1 1 A 13 13 GLN N N 13 119.119 117.421 1.698 1
1 16 . 15 1 1 A 14 14 PHE H H 14 8.109 8.344 -0.235 1
1 17 . 15 1 1 A 14 14 PHE HA H 14 4.559 4.712 -0.153 1
1 20 . 15 1 1 A 14 14 PHE CA C 14 58.250 56.525 1.725 1
1 21 . 15 1 1 A 14 14 PHE CB C 14 39.950 39.108 0.842 1
1 22 . 15 1 1 A 14 14 PHE N N 14 121.712 118.884 2.828 1
1 23 . 15 1 1 A 15 15 PRO HA H 15 4.492 4.664 -0.172 1
1 30 . 15 1 1 A 15 15 PRO CA C 15 63.047 63.103 -0.056 1
1 31 . 15 1 1 A 15 15 PRO CB C 15 31.810 32.804 -0.994 1
1 34 . 15 1 1 A 16 16 THR H H 16 8.197 8.420 -0.223 1
1 35 . 15 1 1 A 16 16 THR HA H 16 4.614 4.907 -0.293 1
1 40 . 15 1 1 A 16 16 THR CA C 16 59.526 59.715 -0.189 1
1 41 . 15 1 1 A 16 16 THR CB C 16 69.603 69.697 -0.094 1
1 43 . 15 1 1 A 16 16 THR N N 16 115.700 112.553 3.147 1
1 44 . 15 1 1 A 17 17 PRO HA H 17 4.360 4.548 -0.188 1
1 51 . 15 1 1 A 17 17 PRO CA C 17 63.321 63.464 -0.143 1
1 52 . 15 1 1 A 17 17 PRO CB C 17 31.680 31.820 -0.140 1
1 55 . 15 1 1 A 18 18 PHE H H 18 8.212 8.831 -0.619 1
1 56 . 15 1 1 A 18 18 PHE HA H 18 4.589 4.824 -0.235 1
1 64 . 15 1 1 A 18 18 PHE CA C 18 57.648 57.311 0.337 1
1 65 . 15 1 1 A 18 18 PHE CB C 18 39.165 39.864 -0.699 1
1 69 . 15 1 1 A 18 18 PHE N N 18 119.185 123.973 -4.788 1
1 70 . 15 1 1 A 19 19 GLY H H 19 8.250 7.974 0.276 1
1 71 . 15 1 1 A 19 19 GLY HA2 H 19 3.943 4.085 -0.142 1
1 72 . 15 1 1 A 19 19 GLY HA3 H 19 3.935 4.104 -0.169 1
1 73 . 15 1 1 A 19 19 GLY CA C 19 45.100 44.498 0.602 1
1 74 . 15 1 1 A 19 19 GLY N N 19 110.566 108.175 2.391 1
1 75 . 15 1 1 A 20 20 GLY H H 20 7.873 8.522 -0.649 1
1 76 . 15 1 1 A 20 20 GLY HA2 H 20 3.964 4.113 -0.149 1
1 77 . 15 1 1 A 20 20 GLY HA3 H 20 3.955 4.116 -0.161 1
1 78 . 15 1 1 A 20 20 GLY CA C 20 45.056 45.620 -0.564 1
1 79 . 15 1 1 A 20 20 GLY N N 20 108.171 108.604 -0.433 1
1 80 . 15 1 1 A 21 21 SER H H 21 8.274 8.314 -0.040 1
1 81 . 15 1 1 A 21 21 SER HA H 21 4.523 4.902 -0.379 1
1 84 . 15 1 1 A 21 21 SER CA C 21 57.951 56.939 1.012 1
1 85 . 15 1 1 A 21 21 SER CB C 21 63.946 63.739 0.207 1
1 86 . 15 1 1 A 21 21 SER N N 21 115.180 115.797 -0.617 1
1 87 . 15 1 1 A 22 22 LEU H H 22 8.435 8.456 -0.021 1
1 88 . 15 1 1 A 22 22 LEU HA H 22 4.302 4.433 -0.131 1
1 98 . 15 1 1 A 22 22 LEU CA C 22 55.846 54.746 1.100 1
1 99 . 15 1 1 A 22 22 LEU CB C 22 42.229 42.250 -0.021 1
1 103 . 15 1 1 A 22 22 LEU N N 22 123.998 125.617 -1.619 1
1 104 . 15 1 1 A 23 23 ASP H H 23 8.291 8.243 0.048 1
1 105 . 15 1 1 A 23 23 ASP HA H 23 4.494 4.743 -0.249 1
1 108 . 15 1 1 A 23 23 ASP CA C 23 54.981 54.701 0.280 1
1 109 . 15 1 1 A 23 23 ASP CB C 23 41.190 40.694 0.496 1
1 110 . 15 1 1 A 23 23 ASP N N 23 120.385 119.016 1.369 1
1 111 . 15 1 1 A 24 24 THR H H 24 8.010 7.749 0.261 1
1 112 . 15 1 1 A 24 24 THR HA H 24 3.770 3.847 -0.077 1
1 117 . 15 1 1 A 24 24 THR CA C 24 64.590 66.460 -1.870 1
1 118 . 15 1 1 A 24 24 THR CB C 24 69.620 68.463 1.157 1
1 120 . 15 1 1 A 24 24 THR N N 24 117.799 114.528 3.271 1
1 121 . 15 1 1 A 25 25 TRP H H 25 7.780 7.727 0.053 1
1 122 . 15 1 1 A 25 25 TRP HA H 25 4.012 4.664 -0.652 1
1 131 . 15 1 1 A 25 25 TRP CA C 25 57.837 57.268 0.569 1
1 132 . 15 1 1 A 25 25 TRP CB C 25 28.842 29.641 -0.799 1
1 138 . 15 1 1 A 25 25 TRP N N 25 118.659 118.401 0.258 1
1 140 . 15 1 1 A 26 26 ALA H H 26 7.101 7.661 -0.560 1
1 141 . 15 1 1 A 26 26 ALA HA H 26 3.949 4.701 -0.752 1
1 145 . 15 1 1 A 26 26 ALA CA C 26 52.102 50.608 1.494 1
1 146 . 15 1 1 A 26 26 ALA CB C 26 18.840 21.332 -2.492 1
1 147 . 15 1 1 A 26 26 ALA N N 26 117.054 122.560 -5.506 1
1 148 . 15 1 1 A 27 27 ILE H H 27 8.687 8.715 -0.028 1
1 149 . 15 1 1 A 27 27 ILE HA H 27 4.332 4.597 -0.265 1
1 159 . 15 1 1 A 27 27 ILE CA C 27 61.430 60.432 0.998 1
1 160 . 15 1 1 A 27 27 ILE CB C 27 38.550 39.641 -1.091 1
1 164 . 15 1 1 A 27 27 ILE N N 27 125.107 117.446 7.661 1
1 165 . 15 1 1 A 28 28 THR H H 28 8.981 9.270 -0.289 1
1 166 . 15 1 1 A 28 28 THR HA H 28 4.760 4.444 0.316 1
1 171 . 15 1 1 A 28 28 THR CA C 28 60.685 62.734 -2.049 1
1 172 . 15 1 1 A 28 28 THR CB C 28 71.252 69.478 1.774 1
1 174 . 15 1 1 A 28 28 THR N N 28 118.938 123.311 -4.373 1
1 175 . 15 1 1 A 29 29 VAL H H 29 8.612 8.704 -0.092 1
1 176 . 15 1 1 A 29 29 VAL HA H 29 3.532 3.922 -0.390 1
1 184 . 15 1 1 A 29 29 VAL CA C 29 66.349 65.137 1.212 1
1 185 . 15 1 1 A 29 29 VAL CB C 29 31.799 31.812 -0.013 1
1 188 . 15 1 1 A 29 29 VAL N N 29 119.411 126.272 -6.861 1
1 189 . 15 1 1 A 30 30 GLU H H 30 8.432 8.197 0.235 1
1 190 . 15 1 1 A 30 30 GLU HA H 30 4.011 3.986 0.025 1
1 195 . 15 1 1 A 30 30 GLU CA C 30 59.597 59.714 -0.117 1
1 196 . 15 1 1 A 30 30 GLU CB C 30 28.912 28.927 -0.015 1
1 198 . 15 1 1 A 30 30 GLU N N 30 119.890 121.115 -1.225 1
1 199 . 15 1 1 A 31 31 GLU H H 31 7.737 8.245 -0.508 1
1 200 . 15 1 1 A 31 31 GLU HA H 31 3.604 4.130 -0.526 1
1 205 . 15 1 1 A 31 31 GLU CA C 31 58.718 58.895 -0.177 1
1 206 . 15 1 1 A 31 31 GLU CB C 31 30.666 29.304 1.362 1
1 208 . 15 1 1 A 31 31 GLU N N 31 120.821 118.961 1.860 1
1 209 . 15 1 1 A 32 32 ARG H H 32 8.382 8.424 -0.042 1
1 210 . 15 1 1 A 32 32 ARG HA H 32 3.998 4.158 -0.160 1
1 213 . 15 1 1 A 32 32 ARG CA C 32 57.356 58.960 -1.604 1
1 214 . 15 1 1 A 32 32 ARG CB C 32 28.870 29.806 -0.936 1
1 215 . 15 1 1 A 32 32 ARG N N 32 117.523 120.667 -3.144 1
1 216 . 15 1 1 A 33 33 ALA H H 33 7.919 8.172 -0.253 1
1 217 . 15 1 1 A 33 33 ALA HA H 33 4.248 4.131 0.117 1
1 221 . 15 1 1 A 33 33 ALA CA C 33 55.007 54.618 0.389 1
1 222 . 15 1 1 A 33 33 ALA CB C 33 17.601 18.481 -0.880 1
1 223 . 15 1 1 A 33 33 ALA N N 33 119.982 121.526 -1.544 1
1 224 . 15 1 1 A 34 34 LYS H H 34 7.212 8.176 -0.964 1
1 225 . 15 1 1 A 34 34 LYS HA H 34 4.194 4.035 0.159 1
1 234 . 15 1 1 A 34 34 LYS CA C 34 58.852 59.202 -0.350 1
1 235 . 15 1 1 A 34 34 LYS CB C 34 31.598 32.015 -0.417 1
1 239 . 15 1 1 A 34 34 LYS N N 34 119.567 119.641 -0.074 1
1 240 . 15 1 1 A 35 35 HIS H H 35 8.814 8.300 0.514 1
1 241 . 15 1 1 A 35 35 HIS HA H 35 4.923 4.461 0.462 1
1 244 . 15 1 1 A 35 35 HIS CA C 35 57.821 59.080 -1.259 1
1 245 . 15 1 1 A 35 35 HIS CB C 35 29.950 28.623 1.327 1
1 246 . 15 1 1 A 35 35 HIS N N 35 122.252 117.522 4.730 1
1 247 . 15 1 1 A 36 36 ASP H H 36 9.292 7.937 1.355 1
1 248 . 15 1 1 A 36 36 ASP HA H 36 4.454 3.999 0.455 1
1 251 . 15 1 1 A 36 36 ASP CA C 36 57.305 57.479 -0.174 1
1 252 . 15 1 1 A 36 36 ASP CB C 36 39.889 41.308 -1.419 1
1 253 . 15 1 1 A 36 36 ASP N N 36 118.831 122.318 -3.487 1
1 254 . 15 1 1 A 37 37 GLN H H 37 7.673 7.944 -0.271 1
1 255 . 15 1 1 A 37 37 GLN HA H 37 4.241 4.024 0.217 1
1 262 . 15 1 1 A 37 37 GLN CA C 37 59.019 59.406 -0.387 1
1 263 . 15 1 1 A 37 37 GLN CB C 37 28.315 28.255 0.060 1
1 265 . 15 1 1 A 37 37 GLN N N 37 120.072 119.193 0.879 1
1 266 . 15 1 1 A 38 38 GLN H H 38 8.329 8.120 0.209 1
1 267 . 15 1 1 A 38 38 GLN HA H 38 4.040 4.259 -0.219 1
1 274 . 15 1 1 A 38 38 GLN CA C 38 58.734 58.865 -0.131 1
1 275 . 15 1 1 A 38 38 GLN CB C 38 28.549 28.863 -0.314 1
1 277 . 15 1 1 A 38 38 GLN N N 38 120.847 118.974 1.873 1
1 279 . 15 1 1 A 39 39 PHE H H 39 9.453 8.876 0.577 1
1 280 . 15 1 1 A 39 39 PHE HA H 39 2.811 4.161 -1.350 1
1 286 . 15 1 1 A 39 39 PHE CA C 39 61.602 61.316 0.286 1
1 287 . 15 1 1 A 39 39 PHE CB C 39 38.799 39.088 -0.289 1
1 291 . 15 1 1 A 39 39 PHE N N 39 123.507 120.515 2.992 1
1 292 . 15 1 1 A 40 40 HIS H H 40 8.096 8.519 -0.423 1
1 293 . 15 1 1 A 40 40 HIS HA H 40 3.884 3.922 -0.038 1
1 297 . 15 1 1 A 40 40 HIS CA C 40 59.910 59.783 0.127 1
1 298 . 15 1 1 A 40 40 HIS CB C 40 29.558 29.255 0.303 1
1 300 . 15 1 1 A 40 40 HIS N N 40 114.319 118.558 -4.239 1
1 301 . 15 1 1 A 41 41 SER H H 41 7.818 7.950 -0.132 1
1 302 . 15 1 1 A 41 41 SER HA H 41 4.300 4.220 0.080 1
1 305 . 15 1 1 A 41 41 SER CA C 41 60.851 61.697 -0.846 1
1 306 . 15 1 1 A 41 41 SER CB C 41 62.612 63.324 -0.712 1
1 307 . 15 1 1 A 41 41 SER N N 41 116.677 115.675 1.002 1
1 308 . 15 1 1 A 42 42 LEU H H 42 7.079 7.450 -0.371 1
1 309 . 15 1 1 A 42 42 LEU HA H 42 4.071 4.412 -0.341 1
1 319 . 15 1 1 A 42 42 LEU CA C 42 54.685 56.702 -2.017 1
1 320 . 15 1 1 A 42 42 LEU CB C 42 40.874 42.926 -2.052 1
1 324 . 15 1 1 A 42 42 LEU N N 42 121.868 122.130 -0.262 1
1 325 . 15 1 1 A 43 43 LYS H H 43 7.345 7.415 -0.070 1
1 326 . 15 1 1 A 43 43 LYS HA H 43 3.877 3.811 0.066 1
1 335 . 15 1 1 A 43 43 LYS CA C 43 56.035 56.541 -0.506 1
1 336 . 15 1 1 A 43 43 LYS CB C 43 28.886 30.449 -1.563 1
1 340 . 15 1 1 A 43 43 LYS N N 43 110.393 117.973 -7.580 1
1 341 . 15 1 1 A 44 44 PRO HA H 44 4.239 4.317 -0.078 1
1 348 . 15 1 1 A 44 44 PRO CA C 44 62.424 62.904 -0.480 1
1 349 . 15 1 1 A 44 44 PRO CB C 44 32.413 31.999 0.414 1
1 352 . 15 1 1 A 45 45 ILE H H 45 8.586 8.249 0.337 1
1 353 . 15 1 1 A 45 45 ILE HA H 45 4.337 3.947 0.390 1
1 363 . 15 1 1 A 45 45 ILE CA C 45 60.170 63.162 -2.992 1
1 364 . 15 1 1 A 45 45 ILE CB C 45 39.143 38.274 0.869 1
1 368 . 15 1 1 A 45 45 ILE N N 45 120.985 124.346 -3.361 1
1 369 . 15 1 1 A 46 46 SER H H 46 9.512 7.756 1.756 1
1 370 . 15 1 1 A 46 46 SER HA H 46 4.055 4.674 -0.619 1
1 373 . 15 1 1 A 46 46 SER CA C 46 58.483 57.211 1.272 1
1 374 . 15 1 1 A 46 46 SER CB C 46 62.174 64.169 -1.995 1
1 375 . 15 1 1 A 46 46 SER N N 46 124.158 115.848 8.310 1
1 376 . 15 1 1 A 47 47 GLY H H 47 8.555 8.217 0.338 1
1 377 . 15 1 1 A 47 47 GLY HA2 H 47 4.020 3.844 0.176 1
1 378 . 15 1 1 A 47 47 GLY HA3 H 47 3.531 3.972 -0.441 1
1 379 . 15 1 1 A 47 47 GLY CA C 47 44.328 45.629 -1.301 1
1 380 . 15 1 1 A 47 47 GLY N N 47 162.194 108.845 53.349 1
1 381 . 15 1 1 A 48 48 PHE H H 48 7.710 7.482 0.228 1
1 382 . 15 1 1 A 48 48 PHE HA H 48 5.783 5.566 0.217 1
1 387 . 15 1 1 A 48 48 PHE CA C 48 56.732 55.847 0.885 1
1 388 . 15 1 1 A 48 48 PHE CB C 48 43.784 41.736 2.048 1
1 391 . 15 1 1 A 48 48 PHE N N 48 115.641 114.592 1.049 1
1 392 . 15 1 1 A 49 49 ILE H H 49 9.141 8.958 0.183 1
1 393 . 15 1 1 A 49 49 ILE HA H 49 4.908 5.031 -0.123 1
1 403 . 15 1 1 A 49 49 ILE CA C 49 59.368 59.157 0.211 1
1 404 . 15 1 1 A 49 49 ILE CB C 49 39.945 42.280 -2.335 1
1 408 . 15 1 1 A 49 49 ILE N N 49 114.692 116.582 -1.890 1
1 409 . 15 1 1 A 50 50 THR H H 50 8.700 8.426 0.274 1
1 410 . 15 1 1 A 50 50 THR HA H 50 4.473 4.745 -0.272 1
1 415 . 15 1 1 A 50 50 THR CA C 50 60.914 59.960 0.954 1
1 416 . 15 1 1 A 50 50 THR CB C 50 70.829 70.458 0.371 1
1 418 . 15 1 1 A 50 50 THR N N 50 112.658 115.463 -2.805 1
1 419 . 15 1 1 A 51 51 GLY H H 51 8.778 9.142 -0.364 1
1 420 . 15 1 1 A 51 51 GLY HA2 H 51 3.790 3.618 0.172 1
1 421 . 15 1 1 A 51 51 GLY HA3 H 51 3.713 3.741 -0.028 1
1 422 . 15 1 1 A 51 51 GLY CA C 51 48.310 47.344 0.966 1
1 423 . 15 1 1 A 51 51 GLY N N 51 108.204 112.696 -4.492 1
1 424 . 15 1 1 A 52 52 ASP H H 52 8.225 8.312 -0.087 1
1 425 . 15 1 1 A 52 52 ASP HA H 52 4.216 4.242 -0.026 1
1 428 . 15 1 1 A 52 52 ASP CA C 52 57.344 57.215 0.129 1
1 429 . 15 1 1 A 52 52 ASP CB C 52 40.304 41.612 -1.308 1
1 430 . 15 1 1 A 52 52 ASP N N 52 119.404 121.553 -2.149 1
1 431 . 15 1 1 A 53 53 GLN H H 53 7.810 7.873 -0.063 1
1 432 . 15 1 1 A 53 53 GLN HA H 53 3.969 4.048 -0.079 1
1 439 . 15 1 1 A 53 53 GLN CA C 53 58.673 58.606 0.067 1
1 440 . 15 1 1 A 53 53 GLN CB C 53 29.794 28.133 1.661 1
1 442 . 15 1 1 A 53 53 GLN N N 53 118.935 117.442 1.493 1
1 444 . 15 1 1 A 54 54 ALA H H 54 8.293 8.363 -0.070 1
1 445 . 15 1 1 A 54 54 ALA HA H 54 3.642 4.031 -0.389 1
1 449 . 15 1 1 A 54 54 ALA CA C 54 55.243 55.011 0.232 1
1 450 . 15 1 1 A 54 54 ALA CB C 54 19.448 17.859 1.589 1
1 451 . 15 1 1 A 54 54 ALA N N 54 120.858 122.872 -2.014 1
1 452 . 15 1 1 A 55 55 ARG H H 55 8.744 7.876 0.868 1
1 453 . 15 1 1 A 55 55 ARG HA H 55 3.795 3.907 -0.112 1
1 460 . 15 1 1 A 55 55 ARG CA C 55 60.628 59.658 0.970 1
1 461 . 15 1 1 A 55 55 ARG CB C 55 30.224 30.113 0.111 1
1 464 . 15 1 1 A 55 55 ARG N N 55 115.211 117.889 -2.678 1
1 465 . 15 1 1 A 56 56 ASN H H 56 8.056 7.703 0.353 1
1 466 . 15 1 1 A 56 56 ASN HA H 56 4.470 4.529 -0.059 1
1 471 . 15 1 1 A 56 56 ASN CA C 56 56.091 56.396 -0.305 1
1 472 . 15 1 1 A 56 56 ASN CB C 56 38.069 39.358 -1.289 1
1 473 . 15 1 1 A 56 56 ASN N N 56 116.543 118.571 -2.028 1
1 475 . 15 1 1 A 57 57 PHE H H 57 7.567 8.244 -0.677 1
1 476 . 15 1 1 A 57 57 PHE HA H 57 4.517 4.403 0.114 1
1 481 . 15 1 1 A 57 57 PHE CA C 57 61.373 61.569 -0.196 1
1 482 . 15 1 1 A 57 57 PHE CB C 57 39.518 39.349 0.169 1
1 485 . 15 1 1 A 57 57 PHE N N 57 121.111 120.309 0.802 1
1 486 . 15 1 1 A 58 58 PHE H H 58 8.995 8.824 0.171 1
1 487 . 15 1 1 A 58 58 PHE HA H 58 4.501 4.290 0.211 1
1 491 . 15 1 1 A 58 58 PHE CA C 58 57.190 61.528 -4.338 1
1 492 . 15 1 1 A 58 58 PHE CB C 58 37.236 38.734 -1.498 1
1 494 . 15 1 1 A 58 58 PHE N N 58 119.594 118.096 1.498 1
1 495 . 15 1 1 A 59 59 PHE H H 59 8.510 8.720 -0.210 1
1 496 . 15 1 1 A 59 59 PHE HA H 59 4.296 4.159 0.137 1
1 500 . 15 1 1 A 59 59 PHE CA C 59 60.456 61.523 -1.067 1
1 501 . 15 1 1 A 59 59 PHE CB C 59 38.914 38.985 -0.071 1
1 503 . 15 1 1 A 59 59 PHE N N 59 120.834 119.042 1.792 1
1 504 . 15 1 1 A 60 60 GLN H H 60 7.652 8.648 -0.996 1
1 505 . 15 1 1 A 60 60 GLN HA H 60 4.056 4.130 -0.074 1
1 512 . 15 1 1 A 60 60 GLN CA C 60 57.133 58.065 -0.932 1
1 513 . 15 1 1 A 60 60 GLN CB C 60 27.771 28.509 -0.738 1
1 515 . 15 1 1 A 60 60 GLN N N 60 116.464 118.645 -2.181 1
1 517 . 15 1 1 A 61 61 SER H H 61 7.823 7.384 0.439 1
1 518 . 15 1 1 A 61 61 SER HA H 61 3.985 4.293 -0.308 1
1 521 . 15 1 1 A 61 61 SER CA C 61 60.571 58.812 1.759 1
1 522 . 15 1 1 A 61 61 SER CB C 61 65.277 63.238 2.039 1
1 523 . 15 1 1 A 61 61 SER N N 61 113.448 112.102 1.346 1
1 524 . 15 1 1 A 62 62 GLY H H 62 7.478 8.000 -0.522 1
1 525 . 15 1 1 A 62 62 GLY HA2 H 62 4.115 3.734 0.381 1
1 526 . 15 1 1 A 62 62 GLY HA3 H 62 3.699 3.825 -0.126 1
1 527 . 15 1 1 A 62 62 GLY CA C 62 45.445 45.241 0.204 1
1 528 . 15 1 1 A 62 62 GLY N N 62 108.189 110.115 -1.926 1
1 529 . 15 1 1 A 63 63 LEU H H 63 7.282 7.749 -0.467 1
1 530 . 15 1 1 A 63 63 LEU HA H 63 4.471 4.550 -0.079 1
1 540 . 15 1 1 A 63 63 LEU CA C 63 52.971 51.961 1.010 1
1 541 . 15 1 1 A 63 63 LEU CB C 63 41.597 41.727 -0.130 1
1 545 . 15 1 1 A 63 63 LEU N N 63 120.356 121.049 -0.693 1
1 546 . 15 1 1 A 64 64 PRO HA H 64 4.559 4.542 0.017 1
1 553 . 15 1 1 A 64 64 PRO CA C 64 63.039 62.810 0.229 1
1 554 . 15 1 1 A 64 64 PRO CB C 64 33.402 32.538 0.864 1
1 557 . 15 1 1 A 65 65 GLN H H 65 9.289 8.684 0.605 1
1 558 . 15 1 1 A 65 65 GLN HA H 65 4.194 4.151 0.043 1
1 563 . 15 1 1 A 65 65 GLN CA C 65 61.180 60.246 0.934 1
1 564 . 15 1 1 A 65 65 GLN CB C 65 25.845 28.067 -2.222 1
1 566 . 15 1 1 A 65 65 GLN N N 65 122.729 121.995 0.734 1
1 567 . 15 1 1 A 66 66 PRO HA H 66 4.399 4.420 -0.021 1
1 574 . 15 1 1 A 66 66 PRO CA C 66 65.956 65.692 0.264 1
1 575 . 15 1 1 A 66 66 PRO CB C 66 30.665 30.831 -0.166 1
1 578 . 15 1 1 A 67 67 VAL H H 67 6.875 7.446 -0.571 1
1 579 . 15 1 1 A 67 67 VAL HA H 67 3.930 3.794 0.136 1
1 587 . 15 1 1 A 67 67 VAL CA C 67 64.811 65.565 -0.754 1
1 588 . 15 1 1 A 67 67 VAL CB C 67 31.581 31.523 0.058 1
1 591 . 15 1 1 A 67 67 VAL N N 67 117.350 116.406 0.944 1
1 592 . 15 1 1 A 68 68 LEU H H 68 7.965 8.334 -0.369 1
1 593 . 15 1 1 A 68 68 LEU HA H 68 3.955 4.236 -0.281 1
1 603 . 15 1 1 A 68 68 LEU CA C 68 57.878 58.023 -0.145 1
1 604 . 15 1 1 A 68 68 LEU CB C 68 40.821 41.993 -1.172 1
1 608 . 15 1 1 A 68 68 LEU N N 68 119.980 119.118 0.862 1
1 609 . 15 1 1 A 69 69 ALA H H 69 8.577 9.123 -0.546 1
1 610 . 15 1 1 A 69 69 ALA HA H 69 4.375 4.282 0.093 1
1 614 . 15 1 1 A 69 69 ALA CA C 69 55.128 55.145 -0.017 1
1 615 . 15 1 1 A 69 69 ALA CB C 69 17.533 18.407 -0.874 1
1 616 . 15 1 1 A 69 69 ALA N N 69 122.731 121.619 1.112 1
1 617 . 15 1 1 A 70 70 GLN H H 70 7.534 8.208 -0.674 1
1 618 . 15 1 1 A 70 70 GLN HA H 70 4.190 4.064 0.126 1
1 625 . 15 1 1 A 70 70 GLN CA C 70 58.623 59.169 -0.546 1
1 626 . 15 1 1 A 70 70 GLN CB C 70 28.349 28.165 0.184 1
1 628 . 15 1 1 A 70 70 GLN N N 70 120.846 118.019 2.827 1
1 630 . 15 1 1 A 71 71 ILE H H 71 8.170 7.773 0.397 1
1 631 . 15 1 1 A 71 71 ILE HA H 71 3.455 4.002 -0.547 1
1 641 . 15 1 1 A 71 71 ILE CA C 71 66.530 64.918 1.612 1
1 642 . 15 1 1 A 71 71 ILE CB C 71 37.768 37.404 0.364 1
1 646 . 15 1 1 A 71 71 ILE N N 71 120.351 119.945 0.406 1
1 647 . 15 1 1 A 72 72 TRP H H 72 8.473 8.610 -0.137 1
1 648 . 15 1 1 A 72 72 TRP HA H 72 3.845 4.377 -0.532 1
1 657 . 15 1 1 A 72 72 TRP CA C 72 61.144 61.109 0.035 1
1 658 . 15 1 1 A 72 72 TRP CB C 72 28.496 29.317 -0.821 1
1 664 . 15 1 1 A 72 72 TRP N N 72 119.417 122.329 -2.912 1
1 666 . 15 1 1 A 73 73 ALA H H 73 7.647 8.571 -0.924 1
1 667 . 15 1 1 A 73 73 ALA HA H 73 4.012 3.968 0.044 1
1 671 . 15 1 1 A 73 73 ALA CA C 73 54.154 54.367 -0.213 1
1 672 . 15 1 1 A 73 73 ALA CB C 73 18.059 18.363 -0.304 1
1 673 . 15 1 1 A 73 73 ALA N N 73 116.148 121.565 -5.417 1
1 674 . 15 1 1 A 74 74 LEU H H 74 7.493 7.444 0.049 1
1 675 . 15 1 1 A 74 74 LEU HA H 74 3.947 4.247 -0.300 1
1 685 . 15 1 1 A 74 74 LEU CA C 74 56.478 57.077 -0.599 1
1 686 . 15 1 1 A 74 74 LEU CB C 74 43.726 41.757 1.969 1
1 690 . 15 1 1 A 74 74 LEU N N 74 115.647 117.538 -1.891 1
1 691 . 15 1 1 A 75 75 ALA H H 75 7.952 8.027 -0.075 1
1 692 . 15 1 1 A 75 75 ALA HA H 75 4.019 4.206 -0.187 1
1 696 . 15 1 1 A 75 75 ALA CA C 75 53.982 55.416 -1.434 1
1 697 . 15 1 1 A 75 75 ALA CB C 75 19.913 18.899 1.014 1
1 698 . 15 1 1 A 75 75 ALA N N 75 118.000 121.219 -3.219 1
1 699 . 15 1 1 A 76 76 ASP H H 76 7.798 7.811 -0.013 1
1 700 . 15 1 1 A 76 76 ASP HA H 76 4.587 4.698 -0.111 1
1 703 . 15 1 1 A 76 76 ASP CA C 76 51.849 53.570 -1.721 1
1 704 . 15 1 1 A 76 76 ASP CB C 76 36.265 40.024 -3.759 1
1 705 . 15 1 1 A 76 76 ASP N N 76 114.297 114.781 -0.484 1
1 706 . 15 1 1 A 77 77 MET H H 77 8.077 8.085 -0.008 1
1 707 . 15 1 1 A 77 77 MET HA H 77 3.867 4.134 -0.267 1
1 715 . 15 1 1 A 77 77 MET CA C 77 59.024 58.544 0.480 1
1 716 . 15 1 1 A 77 77 MET CB C 77 34.550 31.842 2.708 1
1 719 . 15 1 1 A 77 77 MET N N 77 123.959 124.746 -0.787 1
1 720 . 15 1 1 A 78 78 ASN H H 78 7.801 7.951 -0.150 1
1 721 . 15 1 1 A 78 78 ASN HA H 78 4.839 4.650 0.189 1
1 726 . 15 1 1 A 78 78 ASN CA C 78 50.889 52.656 -1.767 1
1 727 . 15 1 1 A 78 78 ASN CB C 78 37.028 38.097 -1.069 1
1 728 . 15 1 1 A 78 78 ASN N N 78 112.247 114.523 -2.276 1
1 730 . 15 1 1 A 79 79 ASN H H 79 8.019 8.320 -0.301 1
1 731 . 15 1 1 A 79 79 ASN HA H 79 4.380 4.798 -0.418 1
1 736 . 15 1 1 A 79 79 ASN CA C 79 54.319 53.840 0.479 1
1 737 . 15 1 1 A 79 79 ASN CB C 79 37.867 36.704 1.163 1
1 738 . 15 1 1 A 79 79 ASN N N 79 116.050 117.358 -1.308 1
1 740 . 15 1 1 A 80 80 ASP H H 80 8.019 7.950 0.069 1
1 741 . 15 1 1 A 80 80 ASP HA H 80 4.784 4.736 0.048 1
1 744 . 15 1 1 A 80 80 ASP CA C 80 52.672 54.163 -1.491 1
1 745 . 15 1 1 A 80 80 ASP CB C 80 41.585 41.625 -0.040 1
1 746 . 15 1 1 A 80 80 ASP N N 80 115.620 123.232 -7.612 1
1 747 . 15 1 1 A 81 81 GLY H H 81 10.345 8.282 2.063 1
1 748 . 15 1 1 A 81 81 GLY HA2 H 81 4.339 4.059 0.280 1
1 749 . 15 1 1 A 81 81 GLY HA3 H 81 4.044 4.174 -0.130 1
1 750 . 15 1 1 A 81 81 GLY CA C 81 46.560 46.468 0.092 1
1 751 . 15 1 1 A 81 81 GLY N N 81 112.191 107.454 4.737 1
1 752 . 15 1 1 A 82 82 ARG H H 82 8.365 8.042 0.323 1
1 753 . 15 1 1 A 82 82 ARG HA H 82 5.105 4.642 0.463 1
1 760 . 15 1 1 A 82 82 ARG CA C 82 53.982 57.014 -3.032 1
1 761 . 15 1 1 A 82 82 ARG CB C 82 33.303 32.054 1.249 1
1 764 . 15 1 1 A 82 82 ARG N N 82 117.518 119.560 -2.042 1
1 765 . 15 1 1 A 83 83 MET H H 83 9.038 8.226 0.812 1
1 766 . 15 1 1 A 83 83 MET HA H 83 6.142 4.226 1.916 1
1 774 . 15 1 1 A 83 83 MET CA C 83 55.586 56.300 -0.714 1
1 775 . 15 1 1 A 83 83 MET CB C 83 38.610 31.142 7.468 1
1 778 . 15 1 1 A 83 83 MET N N 83 120.510 119.031 1.479 1
1 779 . 15 1 1 A 84 84 ASP H H 84 7.586 8.672 -1.086 1
1 780 . 15 1 1 A 84 84 ASP HA H 84 5.259 4.751 0.508 1
1 783 . 15 1 1 A 84 84 ASP CA C 84 51.182 52.946 -1.764 1
1 784 . 15 1 1 A 84 84 ASP CB C 84 42.047 42.718 -0.671 1
1 785 . 15 1 1 A 84 84 ASP N N 84 122.321 123.407 -1.086 1
1 786 . 15 1 1 A 85 85 GLN H H 85 7.988 8.880 -0.892 1
1 787 . 15 1 1 A 85 85 GLN HA H 85 2.609 3.734 -1.125 1
1 794 . 15 1 1 A 85 85 GLN CA C 85 58.909 57.840 1.069 1
1 795 . 15 1 1 A 85 85 GLN CB C 85 29.346 27.949 1.397 1
1 797 . 15 1 1 A 85 85 GLN N N 85 115.617 121.509 -5.892 1
1 799 . 15 1 1 A 86 86 VAL H H 86 7.357 7.942 -0.585 1
1 800 . 15 1 1 A 86 86 VAL HA H 86 3.557 3.446 0.111 1
1 808 . 15 1 1 A 86 86 VAL CA C 86 66.117 66.611 -0.494 1
1 809 . 15 1 1 A 86 86 VAL CB C 86 31.538 31.700 -0.162 1
1 812 . 15 1 1 A 86 86 VAL N N 86 120.551 120.998 -0.447 1
1 813 . 15 1 1 A 87 87 GLU H H 87 8.375 8.158 0.217 1
1 814 . 15 1 1 A 87 87 GLU HA H 87 3.908 4.032 -0.124 1
1 819 . 15 1 1 A 87 87 GLU CA C 87 59.424 59.640 -0.216 1
1 820 . 15 1 1 A 87 87 GLU CB C 87 31.466 29.419 2.047 1
1 822 . 15 1 1 A 87 87 GLU N N 87 119.417 119.167 0.250 1
1 823 . 15 1 1 A 88 88 PHE H H 88 8.482 8.703 -0.221 1
1 824 . 15 1 1 A 88 88 PHE HA H 88 4.427 4.234 0.193 1
1 828 . 15 1 1 A 88 88 PHE CA C 88 62.061 61.412 0.649 1
1 829 . 15 1 1 A 88 88 PHE CB C 88 40.726 38.972 1.754 1
1 831 . 15 1 1 A 88 88 PHE N N 88 117.094 122.157 -5.063 1
1 832 . 15 1 1 A 89 89 SER H H 89 7.490 7.763 -0.273 1
1 833 . 15 1 1 A 89 89 SER HA H 89 4.763 4.170 0.593 1
1 836 . 15 1 1 A 89 89 SER CA C 89 59.783 60.951 -1.168 1
1 837 . 15 1 1 A 89 89 SER CB C 89 59.544 63.134 -3.590 1
1 838 . 15 1 1 A 89 89 SER N N 89 113.424 113.331 0.093 1
1 839 . 15 1 1 A 90 90 ILE H H 90 8.034 7.561 0.473 1
1 840 . 15 1 1 A 90 90 ILE HA H 90 3.506 4.155 -0.649 1
1 850 . 15 1 1 A 90 90 ILE CA C 90 66.098 63.120 2.978 1
1 851 . 15 1 1 A 90 90 ILE CB C 90 37.905 38.908 -1.003 1
1 855 . 15 1 1 A 90 90 ILE N N 90 118.472 121.317 -2.845 1
1 856 . 15 1 1 A 91 91 ALA H H 91 8.197 7.850 0.347 1
1 857 . 15 1 1 A 91 91 ALA HA H 91 4.286 4.179 0.107 1
1 861 . 15 1 1 A 91 91 ALA CA C 91 52.435 54.293 -1.858 1
1 862 . 15 1 1 A 91 91 ALA CB C 91 19.091 18.804 0.287 1
1 863 . 15 1 1 A 91 91 ALA N N 91 119.275 124.208 -4.933 1
1 864 . 15 1 1 A 92 92 MET H H 92 8.183 8.089 0.094 1
1 865 . 15 1 1 A 92 92 MET HA H 92 4.268 3.802 0.466 1
1 870 . 15 1 1 A 92 92 MET CA C 92 55.643 58.010 -2.367 1
1 871 . 15 1 1 A 92 92 MET CB C 92 29.521 31.823 -2.302 1
1 873 . 15 1 1 A 92 92 MET N N 92 118.681 115.830 2.851 1
1 874 . 15 1 1 A 93 93 LYS H H 93 8.172 7.946 0.226 1
1 875 . 15 1 1 A 93 93 LYS HA H 93 4.006 4.072 -0.066 1
1 878 . 15 1 1 A 93 93 LYS CA C 93 56.840 58.593 -1.753 1
1 879 . 15 1 1 A 93 93 LYS CB C 93 32.830 32.199 0.631 1
1 880 . 15 1 1 A 93 93 LYS N N 93 120.362 118.305 2.057 1
1 881 . 15 1 1 A 94 94 LEU H H 94 8.017 7.625 0.392 1
1 882 . 15 1 1 A 94 94 LEU HA H 94 3.884 4.011 -0.127 1
1 892 . 15 1 1 A 94 94 LEU CA C 94 58.234 57.839 0.395 1
1 893 . 15 1 1 A 94 94 LEU CB C 94 42.050 41.646 0.404 1
1 897 . 15 1 1 A 94 94 LEU N N 94 114.192 120.371 -6.179 1
1 898 . 15 1 1 A 95 95 ILE H H 95 8.377 8.016 0.361 1
1 899 . 15 1 1 A 95 95 ILE HA H 95 3.254 3.332 -0.078 1
1 909 . 15 1 1 A 95 95 ILE CA C 95 66.013 65.912 0.101 1
1 910 . 15 1 1 A 95 95 ILE CB C 95 38.284 37.398 0.886 1
1 914 . 15 1 1 A 95 95 ILE N N 95 118.949 119.790 -0.841 1
1 915 . 15 1 1 A 96 96 LYS H H 96 7.751 7.598 0.153 1
1 916 . 15 1 1 A 96 96 LYS HA H 96 3.928 4.029 -0.101 1
1 925 . 15 1 1 A 96 96 LYS CA C 96 59.701 59.838 -0.137 1
1 926 . 15 1 1 A 96 96 LYS CB C 96 32.286 31.829 0.457 1
1 930 . 15 1 1 A 96 96 LYS N N 96 119.637 121.016 -1.379 1
1 931 . 15 1 1 A 97 97 LEU H H 97 8.382 7.631 0.751 1
1 932 . 15 1 1 A 97 97 LEU HA H 97 4.006 4.068 -0.062 1
1 942 . 15 1 1 A 97 97 LEU CA C 97 57.363 57.543 -0.180 1
1 943 . 15 1 1 A 97 97 LEU CB C 97 40.459 41.139 -0.680 1
1 947 . 15 1 1 A 97 97 LEU N N 97 117.727 118.937 -1.210 1
1 948 . 15 1 1 A 98 98 LYS H H 98 8.761 8.143 0.618 1
1 949 . 15 1 1 A 98 98 LYS HA H 98 4.548 4.159 0.389 1
1 958 . 15 1 1 A 98 98 LYS CA C 98 57.477 59.058 -1.581 1
1 959 . 15 1 1 A 98 98 LYS CB C 98 31.294 31.915 -0.621 1
1 963 . 15 1 1 A 98 98 LYS N N 98 122.255 118.826 3.429 1
1 964 . 15 1 1 A 99 99 LEU H H 99 8.798 8.374 0.424 1
1 965 . 15 1 1 A 99 99 LEU HA H 99 4.100 4.024 0.076 1
1 975 . 15 1 1 A 99 99 LEU CA C 99 57.878 57.238 0.640 1
1 976 . 15 1 1 A 99 99 LEU CB C 99 41.605 41.237 0.368 1
1 980 . 15 1 1 A 99 99 LEU N N 99 122.214 118.918 3.296 1
1 981 . 15 1 1 A 100 100 GLN H H 100 7.749 7.703 0.046 1
1 982 . 15 1 1 A 100 100 GLN HA H 100 4.285 4.377 -0.092 1
1 989 . 15 1 1 A 100 100 GLN CA C 100 56.503 55.688 0.815 1
1 990 . 15 1 1 A 100 100 GLN CB C 100 29.576 29.599 -0.023 1
1 992 . 15 1 1 A 100 100 GLN N N 100 116.914 116.686 0.228 1
1 993 . 15 1 1 A 101 101 GLY H H 101 7.910 7.887 0.023 1
1 994 . 15 1 1 A 101 101 GLY HA2 H 101 4.262 3.855 0.407 1
1 995 . 15 1 1 A 101 101 GLY HA3 H 101 3.661 3.931 -0.270 1
1 996 . 15 1 1 A 101 101 GLY CA C 101 44.884 45.428 -0.544 1
1 997 . 15 1 1 A 101 101 GLY N N 101 106.044 107.511 -1.467 1
1 998 . 15 1 1 A 102 102 TYR H H 102 8.078 8.156 -0.078 1
1 999 . 15 1 1 A 102 102 TYR HA H 102 4.311 4.615 -0.304 1
1 1006 . 15 1 1 A 102 102 TYR CA C 102 59.253 58.140 1.113 1
1 1007 . 15 1 1 A 102 102 TYR CB C 102 37.849 39.531 -1.682 1
1 1010 . 15 1 1 A 102 102 TYR N N 102 120.876 119.754 1.122 1
1 1011 . 15 1 1 A 103 103 GLN H H 103 8.610 9.076 -0.466 1
1 1012 . 15 1 1 A 103 103 GLN HA H 103 4.280 5.187 -0.907 1
1 1015 . 15 1 1 A 103 103 GLN CA C 103 56.620 54.628 1.992 1
1 1016 . 15 1 1 A 103 103 GLN CB C 103 29.100 32.905 -3.805 1
1 1017 . 15 1 1 A 103 103 GLN N N 103 119.785 121.063 -1.278 1
1 1018 . 15 1 1 A 105 105 PRO HA H 105 4.631 4.731 -0.100 1
1 1025 . 15 1 1 A 105 105 PRO CA C 105 61.602 62.261 -0.659 1
1 1026 . 15 1 1 A 105 105 PRO CB C 105 31.690 33.334 -1.644 1
1 1029 . 15 1 1 A 106 106 SER H H 106 8.485 8.431 0.054 1
1 1030 . 15 1 1 A 106 106 SER HA H 106 4.183 4.211 -0.028 1
1 1033 . 15 1 1 A 106 106 SER CA C 106 59.525 58.878 0.647 1
1 1034 . 15 1 1 A 106 106 SER CB C 106 63.078 63.282 -0.204 1
1 1035 . 15 1 1 A 106 106 SER N N 106 112.361 113.337 -0.976 1
1 1036 . 15 1 1 A 107 107 ALA H H 107 7.410 7.486 -0.076 1
1 1037 . 15 1 1 A 107 107 ALA HA H 107 4.308 4.406 -0.098 1
1 1041 . 15 1 1 A 107 107 ALA CA C 107 50.086 51.133 -1.047 1
1 1042 . 15 1 1 A 107 107 ALA CB C 107 21.253 19.279 1.974 1
1 1043 . 15 1 1 A 107 107 ALA N N 107 121.311 124.897 -3.586 1
1 1044 . 15 1 1 A 108 108 LEU H H 108 8.915 8.717 0.198 1
1 1045 . 15 1 1 A 108 108 LEU HA H 108 4.020 4.406 -0.386 1
1 1055 . 15 1 1 A 108 108 LEU CA C 108 52.990 52.770 0.220 1
1 1056 . 15 1 1 A 108 108 LEU CB C 108 42.041 43.445 -1.404 1
1 1060 . 15 1 1 A 108 108 LEU N N 108 122.607 126.690 -4.083 1
1 1061 . 15 1 1 A 110 110 PRO HA H 110 4.024 4.420 -0.396 1
1 1068 . 15 1 1 A 110 110 PRO CA C 110 65.440 64.654 0.786 1
1 1069 . 15 1 1 A 110 110 PRO CB C 110 31.638 32.000 -0.362 1
1 1072 . 15 1 1 A 111 111 VAL H H 111 8.118 7.379 0.739 1
1 1073 . 15 1 1 A 111 111 VAL HA H 111 3.986 3.926 0.060 1
1 1081 . 15 1 1 A 111 111 VAL CA C 111 63.779 64.930 -1.151 1
1 1082 . 15 1 1 A 111 111 VAL CB C 111 31.065 31.039 0.026 1
1 1085 . 15 1 1 A 111 111 VAL N N 111 115.605 116.197 -0.592 1
1 1086 . 15 1 1 A 112 112 MET H H 112 7.908 7.947 -0.039 1
1 1087 . 15 1 1 A 112 112 MET HA H 112 4.160 4.438 -0.278 1
1 1095 . 15 1 1 A 112 112 MET CA C 112 59.098 58.109 0.989 1
1 1096 . 15 1 1 A 112 112 MET CB C 112 34.024 32.477 1.547 1
1 1099 . 15 1 1 A 112 112 MET N N 112 118.943 119.006 -0.063 1
1 1100 . 15 1 1 A 113 113 LYS H H 113 7.330 7.417 -0.087 1
1 1101 . 15 1 1 A 113 113 LYS HA H 113 4.182 4.156 0.026 1
1 1110 . 15 1 1 A 113 113 LYS CA C 113 55.987 59.040 -3.053 1
1 1111 . 15 1 1 A 113 113 LYS CB C 113 32.841 32.619 0.222 1
1 1115 . 15 1 1 A 113 113 LYS N N 113 112.617 117.086 -4.469 1
1 1116 . 15 1 1 A 114 114 GLN H H 114 7.114 7.647 -0.533 1
1 1117 . 15 1 1 A 114 114 GLN HA H 114 4.309 4.159 0.150 1
1 1124 . 15 1 1 A 114 114 GLN CA C 114 54.956 57.869 -2.913 1
1 1125 . 15 1 1 A 114 114 GLN CB C 114 29.241 27.251 1.990 1
1 1127 . 15 1 1 A 114 114 GLN N N 114 117.852 115.909 1.943 1
1 1129 . 15 1 1 A 115 115 GLN H H 115 8.556 8.529 0.027 1
1 1130 . 15 1 1 A 115 115 GLN HA H 115 4.501 4.746 -0.245 1
1 1137 . 15 1 1 A 115 115 GLN CA C 115 53.858 52.360 1.498 1
1 1138 . 15 1 1 A 115 115 GLN CB C 115 28.234 29.826 -1.592 1
1 1140 . 15 1 1 A 115 115 GLN N N 115 123.195 122.878 0.317 1
1 1142 . 15 1 1 A 116 116 PRO HA H 116 4.530 4.586 -0.056 1
1 1149 . 15 1 1 A 116 116 PRO CA C 116 63.050 62.631 0.419 1
1 1150 . 15 1 1 A 116 116 PRO CB C 116 31.953 32.479 -0.526 1
1 1153 . 15 1 1 A 117 117 VAL H H 117 8.345 8.269 0.076 1
1 1154 . 15 1 1 A 117 117 VAL HA H 117 4.167 4.431 -0.264 1
1 1162 . 15 1 1 A 117 117 VAL CA C 117 61.258 61.051 0.207 1
1 1163 . 15 1 1 A 117 117 VAL CB C 117 33.724 32.651 1.073 1
1 1166 . 15 1 1 A 117 117 VAL N N 117 120.361 116.987 3.374 1
1 1167 . 15 1 1 A 118 118 ALA H H 118 8.470 8.955 -0.485 1
1 1168 . 15 1 1 A 118 118 ALA HA H 118 4.452 4.864 -0.412 1
1 1172 . 15 1 1 A 118 118 ALA CA C 118 51.678 50.614 1.064 1
1 1173 . 15 1 1 A 118 118 ALA CB C 118 19.260 19.966 -0.706 1
1 1174 . 15 1 1 A 118 118 ALA N N 118 128.412 129.980 -1.568 1
1 1175 . 15 1 1 A 119 119 ILE H H 119 8.250 8.759 -0.509 1
1 1176 . 15 1 1 A 119 119 ILE HA H 119 4.240 4.580 -0.340 1
1 1186 . 15 1 1 A 119 119 ILE CA C 119 60.743 60.491 0.252 1
1 1187 . 15 1 1 A 119 119 ILE CB C 119 38.914 38.054 0.860 1
1 1191 . 15 1 1 A 119 119 ILE N N 119 120.929 125.513 -4.584 1
1 1192 . 15 1 1 A 120 120 SER H H 120 8.413 8.879 -0.466 1
1 1193 . 15 1 1 A 120 120 SER HA H 120 4.543 4.537 0.006 1
1 1196 . 15 1 1 A 120 120 SER CA C 120 57.878 58.550 -0.672 1
1 1197 . 15 1 1 A 120 120 SER CB C 120 63.951 63.942 0.009 1
1 1198 . 15 1 1 A 120 120 SER N N 120 120.494 123.659 -3.165 1
1 1 . 16 1 1 A 12 12 ALA H H 12 8.223 8.795 -0.572 1
1 2 . 16 1 1 A 12 12 ALA HA H 12 4.220 4.493 -0.273 1
1 6 . 16 1 1 A 12 12 ALA CA C 12 52.323 51.617 0.706 1
1 7 . 16 1 1 A 12 12 ALA CB C 12 19.015 18.686 0.329 1
1 8 . 16 1 1 A 12 12 ALA N N 12 124.624 127.367 -2.743 1
1 9 . 16 1 1 A 13 13 GLN H H 13 8.220 8.488 -0.268 1
1 10 . 16 1 1 A 13 13 GLN HA H 13 4.292 4.926 -0.634 1
1 13 . 16 1 1 A 13 13 GLN CA C 13 55.457 54.250 1.207 1
1 14 . 16 1 1 A 13 13 GLN CB C 13 29.804 30.281 -0.477 1
1 15 . 16 1 1 A 13 13 GLN N N 13 119.119 124.125 -5.006 1
1 16 . 16 1 1 A 14 14 PHE H H 14 8.109 8.733 -0.624 1
1 17 . 16 1 1 A 14 14 PHE HA H 14 4.559 5.499 -0.940 1
1 20 . 16 1 1 A 14 14 PHE CA C 14 58.250 55.097 3.153 1
1 21 . 16 1 1 A 14 14 PHE CB C 14 39.950 41.782 -1.832 1
1 22 . 16 1 1 A 14 14 PHE N N 14 121.712 123.194 -1.482 1
1 23 . 16 1 1 A 15 15 PRO HA H 15 4.492 4.638 -0.146 1
1 30 . 16 1 1 A 15 15 PRO CA C 15 63.047 62.501 0.546 1
1 31 . 16 1 1 A 15 15 PRO CB C 15 31.810 33.203 -1.393 1
1 34 . 16 1 1 A 16 16 THR H H 16 8.197 8.445 -0.248 1
1 35 . 16 1 1 A 16 16 THR HA H 16 4.614 4.763 -0.149 1
1 40 . 16 1 1 A 16 16 THR CA C 16 59.526 58.383 1.143 1
1 41 . 16 1 1 A 16 16 THR CB C 16 69.603 71.652 -2.049 1
1 43 . 16 1 1 A 16 16 THR N N 16 115.700 116.277 -0.577 1
1 44 . 16 1 1 A 17 17 PRO HA H 17 4.360 4.943 -0.583 1
1 51 . 16 1 1 A 17 17 PRO CA C 17 63.321 62.305 1.016 1
1 52 . 16 1 1 A 17 17 PRO CB C 17 31.680 32.417 -0.737 1
1 55 . 16 1 1 A 18 18 PHE H H 18 8.212 8.863 -0.651 1
1 56 . 16 1 1 A 18 18 PHE HA H 18 4.589 5.365 -0.776 1
1 64 . 16 1 1 A 18 18 PHE CA C 18 57.648 56.082 1.566 1
1 65 . 16 1 1 A 18 18 PHE CB C 18 39.165 43.000 -3.835 1
1 69 . 16 1 1 A 18 18 PHE N N 18 119.185 120.150 -0.965 1
1 70 . 16 1 1 A 19 19 GLY H H 19 8.250 8.436 -0.186 1
1 71 . 16 1 1 A 19 19 GLY HA2 H 19 3.943 4.329 -0.386 1
1 72 . 16 1 1 A 19 19 GLY HA3 H 19 3.935 4.346 -0.411 1
1 73 . 16 1 1 A 19 19 GLY CA C 19 45.100 45.874 -0.774 1
1 74 . 16 1 1 A 19 19 GLY N N 19 110.566 108.336 2.230 1
1 75 . 16 1 1 A 20 20 GLY H H 20 7.873 8.407 -0.534 1
1 76 . 16 1 1 A 20 20 GLY HA2 H 20 3.964 4.205 -0.241 1
1 77 . 16 1 1 A 20 20 GLY HA3 H 20 3.955 4.212 -0.257 1
1 78 . 16 1 1 A 20 20 GLY CA C 20 45.056 44.920 0.136 1
1 79 . 16 1 1 A 20 20 GLY N N 20 108.171 108.095 0.076 1
1 80 . 16 1 1 A 21 21 SER H H 21 8.274 8.678 -0.404 1
1 81 . 16 1 1 A 21 21 SER HA H 21 4.523 4.994 -0.471 1
1 84 . 16 1 1 A 21 21 SER CA C 21 57.951 56.927 1.024 1
1 85 . 16 1 1 A 21 21 SER CB C 21 63.946 64.382 -0.436 1
1 86 . 16 1 1 A 21 21 SER N N 21 115.180 115.164 0.016 1
1 87 . 16 1 1 A 22 22 LEU H H 22 8.435 8.743 -0.308 1
1 88 . 16 1 1 A 22 22 LEU HA H 22 4.302 4.797 -0.495 1
1 98 . 16 1 1 A 22 22 LEU CA C 22 55.846 53.177 2.669 1
1 99 . 16 1 1 A 22 22 LEU CB C 22 42.229 45.390 -3.161 1
1 103 . 16 1 1 A 22 22 LEU N N 22 123.998 128.168 -4.170 1
1 104 . 16 1 1 A 23 23 ASP H H 23 8.291 8.784 -0.493 1
1 105 . 16 1 1 A 23 23 ASP HA H 23 4.494 4.265 0.229 1
1 108 . 16 1 1 A 23 23 ASP CA C 23 54.981 55.154 -0.173 1
1 109 . 16 1 1 A 23 23 ASP CB C 23 41.190 38.972 2.218 1
1 110 . 16 1 1 A 23 23 ASP N N 23 120.385 117.664 2.721 1
1 111 . 16 1 1 A 24 24 THR H H 24 8.010 7.984 0.026 1
1 112 . 16 1 1 A 24 24 THR HA H 24 3.770 4.015 -0.245 1
1 117 . 16 1 1 A 24 24 THR CA C 24 64.590 64.824 -0.234 1
1 118 . 16 1 1 A 24 24 THR CB C 24 69.620 69.553 0.067 1
1 120 . 16 1 1 A 24 24 THR N N 24 117.799 110.014 7.785 1
1 121 . 16 1 1 A 25 25 TRP H H 25 7.780 7.718 0.062 1
1 122 . 16 1 1 A 25 25 TRP HA H 25 4.012 4.546 -0.534 1
1 131 . 16 1 1 A 25 25 TRP CA C 25 57.837 58.619 -0.782 1
1 132 . 16 1 1 A 25 25 TRP CB C 25 28.842 30.169 -1.327 1
1 138 . 16 1 1 A 25 25 TRP N N 25 118.659 118.393 0.266 1
1 140 . 16 1 1 A 26 26 ALA H H 26 7.101 7.532 -0.431 1
1 141 . 16 1 1 A 26 26 ALA HA H 26 3.949 4.368 -0.419 1
1 145 . 16 1 1 A 26 26 ALA CA C 26 52.102 52.768 -0.666 1
1 146 . 16 1 1 A 26 26 ALA CB C 26 18.840 19.337 -0.497 1
1 147 . 16 1 1 A 26 26 ALA N N 26 117.054 121.757 -4.703 1
1 148 . 16 1 1 A 27 27 ILE H H 27 8.687 8.808 -0.121 1
1 149 . 16 1 1 A 27 27 ILE HA H 27 4.332 4.450 -0.118 1
1 159 . 16 1 1 A 27 27 ILE CA C 27 61.430 60.950 0.480 1
1 160 . 16 1 1 A 27 27 ILE CB C 27 38.550 37.432 1.118 1
1 164 . 16 1 1 A 27 27 ILE N N 27 125.107 123.497 1.610 1
1 165 . 16 1 1 A 28 28 THR H H 28 8.981 8.713 0.268 1
1 166 . 16 1 1 A 28 28 THR HA H 28 4.760 4.466 0.294 1
1 171 . 16 1 1 A 28 28 THR CA C 28 60.685 60.522 0.163 1
1 172 . 16 1 1 A 28 28 THR CB C 28 71.252 70.007 1.245 1
1 174 . 16 1 1 A 28 28 THR N N 28 118.938 123.175 -4.237 1
1 175 . 16 1 1 A 29 29 VAL H H 29 8.612 8.857 -0.245 1
1 176 . 16 1 1 A 29 29 VAL HA H 29 3.532 3.666 -0.134 1
1 184 . 16 1 1 A 29 29 VAL CA C 29 66.349 67.012 -0.663 1
1 185 . 16 1 1 A 29 29 VAL CB C 29 31.799 31.642 0.157 1
1 188 . 16 1 1 A 29 29 VAL N N 29 119.411 123.151 -3.740 1
1 189 . 16 1 1 A 30 30 GLU H H 30 8.432 8.199 0.233 1
1 190 . 16 1 1 A 30 30 GLU HA H 30 4.011 3.932 0.079 1
1 195 . 16 1 1 A 30 30 GLU CA C 30 59.597 60.057 -0.460 1
1 196 . 16 1 1 A 30 30 GLU CB C 30 28.912 29.245 -0.333 1
1 198 . 16 1 1 A 30 30 GLU N N 30 119.890 119.908 -0.018 1
1 199 . 16 1 1 A 31 31 GLU H H 31 7.737 8.444 -0.707 1
1 200 . 16 1 1 A 31 31 GLU HA H 31 3.604 4.109 -0.505 1
1 205 . 16 1 1 A 31 31 GLU CA C 31 58.718 59.095 -0.377 1
1 206 . 16 1 1 A 31 31 GLU CB C 31 30.666 29.288 1.378 1
1 208 . 16 1 1 A 31 31 GLU N N 31 120.821 117.839 2.982 1
1 209 . 16 1 1 A 32 32 ARG H H 32 8.382 8.043 0.339 1
1 210 . 16 1 1 A 32 32 ARG HA H 32 3.998 4.154 -0.156 1
1 213 . 16 1 1 A 32 32 ARG CA C 32 57.356 58.956 -1.600 1
1 214 . 16 1 1 A 32 32 ARG CB C 32 28.870 30.380 -1.510 1
1 215 . 16 1 1 A 32 32 ARG N N 32 117.523 120.750 -3.227 1
1 216 . 16 1 1 A 33 33 ALA H H 33 7.919 8.756 -0.837 1
1 217 . 16 1 1 A 33 33 ALA HA H 33 4.248 4.107 0.141 1
1 221 . 16 1 1 A 33 33 ALA CA C 33 55.007 54.782 0.225 1
1 222 . 16 1 1 A 33 33 ALA CB C 33 17.601 18.284 -0.683 1
1 223 . 16 1 1 A 33 33 ALA N N 33 119.982 120.617 -0.635 1
1 224 . 16 1 1 A 34 34 LYS H H 34 7.212 8.269 -1.057 1
1 225 . 16 1 1 A 34 34 LYS HA H 34 4.194 4.155 0.039 1
1 234 . 16 1 1 A 34 34 LYS CA C 34 58.852 58.892 -0.040 1
1 235 . 16 1 1 A 34 34 LYS CB C 34 31.598 31.673 -0.075 1
1 239 . 16 1 1 A 34 34 LYS N N 34 119.567 116.822 2.745 1
1 240 . 16 1 1 A 35 35 HIS H H 35 8.814 7.943 0.871 1
1 241 . 16 1 1 A 35 35 HIS HA H 35 4.923 4.268 0.655 1
1 244 . 16 1 1 A 35 35 HIS CA C 35 57.821 58.950 -1.129 1
1 245 . 16 1 1 A 35 35 HIS CB C 35 29.950 28.618 1.332 1
1 246 . 16 1 1 A 35 35 HIS N N 35 122.252 117.399 4.853 1
1 247 . 16 1 1 A 36 36 ASP H H 36 9.292 7.864 1.428 1
1 248 . 16 1 1 A 36 36 ASP HA H 36 4.454 4.001 0.453 1
1 251 . 16 1 1 A 36 36 ASP CA C 36 57.305 57.264 0.041 1
1 252 . 16 1 1 A 36 36 ASP CB C 36 39.889 41.476 -1.587 1
1 253 . 16 1 1 A 36 36 ASP N N 36 118.831 122.271 -3.440 1
1 254 . 16 1 1 A 37 37 GLN H H 37 7.673 8.256 -0.583 1
1 255 . 16 1 1 A 37 37 GLN HA H 37 4.241 4.060 0.181 1
1 262 . 16 1 1 A 37 37 GLN CA C 37 59.019 58.950 0.069 1
1 263 . 16 1 1 A 37 37 GLN CB C 37 28.315 28.300 0.015 1
1 265 . 16 1 1 A 37 37 GLN N N 37 120.072 117.395 2.677 1
1 266 . 16 1 1 A 38 38 GLN H H 38 8.329 7.848 0.481 1
1 267 . 16 1 1 A 38 38 GLN HA H 38 4.040 4.260 -0.220 1
1 274 . 16 1 1 A 38 38 GLN CA C 38 58.734 59.104 -0.370 1
1 275 . 16 1 1 A 38 38 GLN CB C 38 28.549 28.756 -0.207 1
1 277 . 16 1 1 A 38 38 GLN N N 38 120.847 120.030 0.817 1
1 279 . 16 1 1 A 39 39 PHE H H 39 9.453 8.375 1.078 1
1 280 . 16 1 1 A 39 39 PHE HA H 39 2.811 4.622 -1.811 1
1 286 . 16 1 1 A 39 39 PHE CA C 39 61.602 61.725 -0.123 1
1 287 . 16 1 1 A 39 39 PHE CB C 39 38.799 39.176 -0.377 1
1 291 . 16 1 1 A 39 39 PHE N N 39 123.507 122.083 1.424 1
1 292 . 16 1 1 A 40 40 HIS H H 40 8.096 8.096 0.000 1
1 293 . 16 1 1 A 40 40 HIS HA H 40 3.884 4.257 -0.373 1
1 297 . 16 1 1 A 40 40 HIS CA C 40 59.910 60.228 -0.318 1
1 298 . 16 1 1 A 40 40 HIS CB C 40 29.558 29.724 -0.166 1
1 300 . 16 1 1 A 40 40 HIS N N 40 114.319 119.108 -4.789 1
1 301 . 16 1 1 A 41 41 SER H H 41 7.818 8.176 -0.358 1
1 302 . 16 1 1 A 41 41 SER HA H 41 4.300 4.341 -0.041 1
1 305 . 16 1 1 A 41 41 SER CA C 41 60.851 61.863 -1.012 1
1 306 . 16 1 1 A 41 41 SER CB C 41 62.612 63.330 -0.718 1
1 307 . 16 1 1 A 41 41 SER N N 41 116.677 115.628 1.049 1
1 308 . 16 1 1 A 42 42 LEU H H 42 7.079 7.544 -0.465 1
1 309 . 16 1 1 A 42 42 LEU HA H 42 4.071 4.351 -0.280 1
1 319 . 16 1 1 A 42 42 LEU CA C 42 54.685 54.646 0.039 1
1 320 . 16 1 1 A 42 42 LEU CB C 42 40.874 41.781 -0.907 1
1 324 . 16 1 1 A 42 42 LEU N N 42 121.868 117.903 3.965 1
1 325 . 16 1 1 A 43 43 LYS H H 43 7.345 7.535 -0.190 1
1 326 . 16 1 1 A 43 43 LYS HA H 43 3.877 3.813 0.064 1
1 335 . 16 1 1 A 43 43 LYS CA C 43 56.035 56.644 -0.609 1
1 336 . 16 1 1 A 43 43 LYS CB C 43 28.886 30.464 -1.578 1
1 340 . 16 1 1 A 43 43 LYS N N 43 110.393 116.376 -5.983 1
1 341 . 16 1 1 A 44 44 PRO HA H 44 4.239 4.397 -0.158 1
1 348 . 16 1 1 A 44 44 PRO CA C 44 62.424 62.951 -0.527 1
1 349 . 16 1 1 A 44 44 PRO CB C 44 32.413 31.997 0.416 1
1 352 . 16 1 1 A 45 45 ILE H H 45 8.586 7.749 0.837 1
1 353 . 16 1 1 A 45 45 ILE HA H 45 4.337 3.853 0.484 1
1 363 . 16 1 1 A 45 45 ILE CA C 45 60.170 62.951 -2.781 1
1 364 . 16 1 1 A 45 45 ILE CB C 45 39.143 37.674 1.469 1
1 368 . 16 1 1 A 45 45 ILE N N 45 120.985 121.853 -0.868 1
1 369 . 16 1 1 A 46 46 SER H H 46 9.512 7.500 2.012 1
1 370 . 16 1 1 A 46 46 SER HA H 46 4.055 4.634 -0.579 1
1 373 . 16 1 1 A 46 46 SER CA C 46 58.483 58.190 0.293 1
1 374 . 16 1 1 A 46 46 SER CB C 46 62.174 63.763 -1.589 1
1 375 . 16 1 1 A 46 46 SER N N 46 124.158 113.207 10.951 1
1 376 . 16 1 1 A 47 47 GLY H H 47 8.555 8.176 0.379 1
1 377 . 16 1 1 A 47 47 GLY HA2 H 47 4.020 3.673 0.347 1
1 378 . 16 1 1 A 47 47 GLY HA3 H 47 3.531 3.875 -0.344 1
1 379 . 16 1 1 A 47 47 GLY CA C 47 44.328 45.408 -1.080 1
1 380 . 16 1 1 A 47 47 GLY N N 47 162.194 109.264 52.930 1
1 381 . 16 1 1 A 48 48 PHE H H 48 7.710 7.508 0.202 1
1 382 . 16 1 1 A 48 48 PHE HA H 48 5.783 5.306 0.477 1
1 387 . 16 1 1 A 48 48 PHE CA C 48 56.732 55.583 1.149 1
1 388 . 16 1 1 A 48 48 PHE CB C 48 43.784 42.710 1.074 1
1 391 . 16 1 1 A 48 48 PHE N N 48 115.641 115.017 0.624 1
1 392 . 16 1 1 A 49 49 ILE H H 49 9.141 8.910 0.231 1
1 393 . 16 1 1 A 49 49 ILE HA H 49 4.908 4.925 -0.017 1
1 403 . 16 1 1 A 49 49 ILE CA C 49 59.368 59.030 0.338 1
1 404 . 16 1 1 A 49 49 ILE CB C 49 39.945 42.616 -2.671 1
1 408 . 16 1 1 A 49 49 ILE N N 49 114.692 116.257 -1.565 1
1 409 . 16 1 1 A 50 50 THR H H 50 8.700 8.599 0.101 1
1 410 . 16 1 1 A 50 50 THR HA H 50 4.473 4.666 -0.193 1
1 415 . 16 1 1 A 50 50 THR CA C 50 60.914 59.490 1.424 1
1 416 . 16 1 1 A 50 50 THR CB C 50 70.829 70.996 -0.167 1
1 418 . 16 1 1 A 50 50 THR N N 50 112.658 115.152 -2.494 1
1 419 . 16 1 1 A 51 51 GLY H H 51 8.778 9.042 -0.264 1
1 420 . 16 1 1 A 51 51 GLY HA2 H 51 3.790 3.561 0.229 1
1 421 . 16 1 1 A 51 51 GLY HA3 H 51 3.713 3.666 0.047 1
1 422 . 16 1 1 A 51 51 GLY CA C 51 48.310 46.742 1.568 1
1 423 . 16 1 1 A 51 51 GLY N N 51 108.204 112.710 -4.506 1
1 424 . 16 1 1 A 52 52 ASP H H 52 8.225 8.236 -0.011 1
1 425 . 16 1 1 A 52 52 ASP HA H 52 4.216 4.242 -0.026 1
1 428 . 16 1 1 A 52 52 ASP CA C 52 57.344 57.351 -0.007 1
1 429 . 16 1 1 A 52 52 ASP CB C 52 40.304 41.408 -1.104 1
1 430 . 16 1 1 A 52 52 ASP N N 52 119.404 121.664 -2.260 1
1 431 . 16 1 1 A 53 53 GLN H H 53 7.810 7.597 0.213 1
1 432 . 16 1 1 A 53 53 GLN HA H 53 3.969 3.913 0.056 1
1 439 . 16 1 1 A 53 53 GLN CA C 53 58.673 58.439 0.234 1
1 440 . 16 1 1 A 53 53 GLN CB C 53 29.794 27.929 1.865 1
1 442 . 16 1 1 A 53 53 GLN N N 53 118.935 117.367 1.568 1
1 444 . 16 1 1 A 54 54 ALA H H 54 8.293 8.206 0.087 1
1 445 . 16 1 1 A 54 54 ALA HA H 54 3.642 3.931 -0.289 1
1 449 . 16 1 1 A 54 54 ALA CA C 54 55.243 54.691 0.552 1
1 450 . 16 1 1 A 54 54 ALA CB C 54 19.448 18.066 1.382 1
1 451 . 16 1 1 A 54 54 ALA N N 54 120.858 122.559 -1.701 1
1 452 . 16 1 1 A 55 55 ARG H H 55 8.744 7.807 0.937 1
1 453 . 16 1 1 A 55 55 ARG HA H 55 3.795 3.026 0.769 1
1 460 . 16 1 1 A 55 55 ARG CA C 55 60.628 58.496 2.132 1
1 461 . 16 1 1 A 55 55 ARG CB C 55 30.224 29.801 0.423 1
1 464 . 16 1 1 A 55 55 ARG N N 55 115.211 116.657 -1.446 1
1 465 . 16 1 1 A 56 56 ASN H H 56 8.056 7.835 0.221 1
1 466 . 16 1 1 A 56 56 ASN HA H 56 4.470 4.424 0.046 1
1 471 . 16 1 1 A 56 56 ASN CA C 56 56.091 55.833 0.258 1
1 472 . 16 1 1 A 56 56 ASN CB C 56 38.069 38.244 -0.175 1
1 473 . 16 1 1 A 56 56 ASN N N 56 116.543 118.247 -1.704 1
1 475 . 16 1 1 A 57 57 PHE H H 57 7.567 7.452 0.115 1
1 476 . 16 1 1 A 57 57 PHE HA H 57 4.517 4.245 0.272 1
1 481 . 16 1 1 A 57 57 PHE CA C 57 61.373 61.577 -0.204 1
1 482 . 16 1 1 A 57 57 PHE CB C 57 39.518 39.648 -0.130 1
1 485 . 16 1 1 A 57 57 PHE N N 57 121.111 120.335 0.776 1
1 486 . 16 1 1 A 58 58 PHE H H 58 8.995 7.475 1.520 1
1 487 . 16 1 1 A 58 58 PHE HA H 58 4.501 4.422 0.079 1
1 491 . 16 1 1 A 58 58 PHE CA C 58 57.190 59.609 -2.419 1
1 492 . 16 1 1 A 58 58 PHE CB C 58 37.236 37.801 -0.565 1
1 494 . 16 1 1 A 58 58 PHE N N 58 119.594 117.178 2.416 1
1 495 . 16 1 1 A 59 59 PHE H H 59 8.510 7.828 0.682 1
1 496 . 16 1 1 A 59 59 PHE HA H 59 4.296 4.225 0.071 1
1 500 . 16 1 1 A 59 59 PHE CA C 59 60.456 61.221 -0.765 1
1 501 . 16 1 1 A 59 59 PHE CB C 59 38.914 38.873 0.041 1
1 503 . 16 1 1 A 59 59 PHE N N 59 120.834 122.164 -1.330 1
1 504 . 16 1 1 A 60 60 GLN H H 60 7.652 8.389 -0.737 1
1 505 . 16 1 1 A 60 60 GLN HA H 60 4.056 4.013 0.043 1
1 512 . 16 1 1 A 60 60 GLN CA C 60 57.133 58.552 -1.419 1
1 513 . 16 1 1 A 60 60 GLN CB C 60 27.771 28.831 -1.060 1
1 515 . 16 1 1 A 60 60 GLN N N 60 116.464 118.578 -2.114 1
1 517 . 16 1 1 A 61 61 SER H H 61 7.823 7.667 0.156 1
1 518 . 16 1 1 A 61 61 SER HA H 61 3.985 4.251 -0.266 1
1 521 . 16 1 1 A 61 61 SER CA C 61 60.571 59.691 0.880 1
1 522 . 16 1 1 A 61 61 SER CB C 61 65.277 63.618 1.659 1
1 523 . 16 1 1 A 61 61 SER N N 61 113.448 113.284 0.164 1
1 524 . 16 1 1 A 62 62 GLY H H 62 7.478 7.478 0.000 1
1 525 . 16 1 1 A 62 62 GLY HA2 H 62 4.115 3.835 0.280 1
1 526 . 16 1 1 A 62 62 GLY HA3 H 62 3.699 3.898 -0.199 1
1 527 . 16 1 1 A 62 62 GLY CA C 62 45.445 45.269 0.176 1
1 528 . 16 1 1 A 62 62 GLY N N 62 108.189 108.234 -0.045 1
1 529 . 16 1 1 A 63 63 LEU H H 63 7.282 7.918 -0.636 1
1 530 . 16 1 1 A 63 63 LEU HA H 63 4.471 4.705 -0.234 1
1 540 . 16 1 1 A 63 63 LEU CA C 63 52.971 52.350 0.621 1
1 541 . 16 1 1 A 63 63 LEU CB C 63 41.597 41.767 -0.170 1
1 545 . 16 1 1 A 63 63 LEU N N 63 120.356 121.405 -1.049 1
1 546 . 16 1 1 A 64 64 PRO HA H 64 4.559 4.568 -0.009 1
1 553 . 16 1 1 A 64 64 PRO CA C 64 63.039 62.858 0.181 1
1 554 . 16 1 1 A 64 64 PRO CB C 64 33.402 32.607 0.795 1
1 557 . 16 1 1 A 65 65 GLN H H 65 9.289 8.664 0.625 1
1 558 . 16 1 1 A 65 65 GLN HA H 65 4.194 4.110 0.084 1
1 563 . 16 1 1 A 65 65 GLN CA C 65 61.180 60.269 0.911 1
1 564 . 16 1 1 A 65 65 GLN CB C 65 25.845 27.937 -2.092 1
1 566 . 16 1 1 A 65 65 GLN N N 65 122.729 122.023 0.706 1
1 567 . 16 1 1 A 66 66 PRO HA H 66 4.399 4.372 0.027 1
1 574 . 16 1 1 A 66 66 PRO CA C 66 65.956 65.543 0.413 1
1 575 . 16 1 1 A 66 66 PRO CB C 66 30.665 30.979 -0.314 1
1 578 . 16 1 1 A 67 67 VAL H H 67 6.875 7.000 -0.125 1
1 579 . 16 1 1 A 67 67 VAL HA H 67 3.930 3.795 0.135 1
1 587 . 16 1 1 A 67 67 VAL CA C 67 64.811 65.124 -0.313 1
1 588 . 16 1 1 A 67 67 VAL CB C 67 31.581 31.431 0.150 1
1 591 . 16 1 1 A 67 67 VAL N N 67 117.350 116.785 0.565 1
1 592 . 16 1 1 A 68 68 LEU H H 68 7.965 8.288 -0.323 1
1 593 . 16 1 1 A 68 68 LEU HA H 68 3.955 3.828 0.127 1
1 603 . 16 1 1 A 68 68 LEU CA C 68 57.878 57.660 0.218 1
1 604 . 16 1 1 A 68 68 LEU CB C 68 40.821 41.555 -0.734 1
1 608 . 16 1 1 A 68 68 LEU N N 68 119.980 120.005 -0.025 1
1 609 . 16 1 1 A 69 69 ALA H H 69 8.577 8.538 0.039 1
1 610 . 16 1 1 A 69 69 ALA HA H 69 4.375 3.898 0.477 1
1 614 . 16 1 1 A 69 69 ALA CA C 69 55.128 55.105 0.023 1
1 615 . 16 1 1 A 69 69 ALA CB C 69 17.533 18.141 -0.608 1
1 616 . 16 1 1 A 69 69 ALA N N 69 122.731 121.031 1.700 1
1 617 . 16 1 1 A 70 70 GLN H H 70 7.534 7.643 -0.109 1
1 618 . 16 1 1 A 70 70 GLN HA H 70 4.190 4.014 0.176 1
1 625 . 16 1 1 A 70 70 GLN CA C 70 58.623 58.909 -0.286 1
1 626 . 16 1 1 A 70 70 GLN CB C 70 28.349 28.147 0.202 1
1 628 . 16 1 1 A 70 70 GLN N N 70 120.846 117.361 3.485 1
1 630 . 16 1 1 A 71 71 ILE H H 71 8.170 7.793 0.377 1
1 631 . 16 1 1 A 71 71 ILE HA H 71 3.455 3.605 -0.150 1
1 641 . 16 1 1 A 71 71 ILE CA C 71 66.530 65.797 0.733 1
1 642 . 16 1 1 A 71 71 ILE CB C 71 37.768 38.377 -0.609 1
1 646 . 16 1 1 A 71 71 ILE N N 71 120.351 119.363 0.988 1
1 647 . 16 1 1 A 72 72 TRP H H 72 8.473 7.744 0.729 1
1 648 . 16 1 1 A 72 72 TRP HA H 72 3.845 4.283 -0.438 1
1 657 . 16 1 1 A 72 72 TRP CA C 72 61.144 61.262 -0.118 1
1 658 . 16 1 1 A 72 72 TRP CB C 72 28.496 29.179 -0.683 1
1 664 . 16 1 1 A 72 72 TRP N N 72 119.417 121.753 -2.336 1
1 666 . 16 1 1 A 73 73 ALA H H 73 7.647 8.258 -0.611 1
1 667 . 16 1 1 A 73 73 ALA HA H 73 4.012 3.662 0.350 1
1 671 . 16 1 1 A 73 73 ALA CA C 73 54.154 54.991 -0.837 1
1 672 . 16 1 1 A 73 73 ALA CB C 73 18.059 18.279 -0.220 1
1 673 . 16 1 1 A 73 73 ALA N N 73 116.148 121.337 -5.189 1
1 674 . 16 1 1 A 74 74 LEU H H 74 7.493 7.988 -0.495 1
1 675 . 16 1 1 A 74 74 LEU HA H 74 3.947 4.051 -0.104 1
1 685 . 16 1 1 A 74 74 LEU CA C 74 56.478 57.690 -1.212 1
1 686 . 16 1 1 A 74 74 LEU CB C 74 43.726 41.443 2.283 1
1 690 . 16 1 1 A 74 74 LEU N N 74 115.647 120.236 -4.589 1
1 691 . 16 1 1 A 75 75 ALA H H 75 7.952 7.853 0.099 1
1 692 . 16 1 1 A 75 75 ALA HA H 75 4.019 4.164 -0.145 1
1 696 . 16 1 1 A 75 75 ALA CA C 75 53.982 55.415 -1.433 1
1 697 . 16 1 1 A 75 75 ALA CB C 75 19.913 19.009 0.904 1
1 698 . 16 1 1 A 75 75 ALA N N 75 118.000 120.836 -2.836 1
1 699 . 16 1 1 A 76 76 ASP H H 76 7.798 8.035 -0.237 1
1 700 . 16 1 1 A 76 76 ASP HA H 76 4.587 4.726 -0.139 1
1 703 . 16 1 1 A 76 76 ASP CA C 76 51.849 53.581 -1.732 1
1 704 . 16 1 1 A 76 76 ASP CB C 76 36.265 39.784 -3.519 1
1 705 . 16 1 1 A 76 76 ASP N N 76 114.297 114.832 -0.535 1
1 706 . 16 1 1 A 77 77 MET H H 77 8.077 8.210 -0.133 1
1 707 . 16 1 1 A 77 77 MET HA H 77 3.867 4.058 -0.191 1
1 715 . 16 1 1 A 77 77 MET CA C 77 59.024 58.400 0.624 1
1 716 . 16 1 1 A 77 77 MET CB C 77 34.550 31.653 2.897 1
1 719 . 16 1 1 A 77 77 MET N N 77 123.959 124.276 -0.317 1
1 720 . 16 1 1 A 78 78 ASN H H 78 7.801 7.805 -0.004 1
1 721 . 16 1 1 A 78 78 ASN HA H 78 4.839 4.746 0.093 1
1 726 . 16 1 1 A 78 78 ASN CA C 78 50.889 54.239 -3.350 1
1 727 . 16 1 1 A 78 78 ASN CB C 78 37.028 39.051 -2.023 1
1 728 . 16 1 1 A 78 78 ASN N N 78 112.247 118.565 -6.318 1
1 730 . 16 1 1 A 79 79 ASN H H 79 8.019 8.445 -0.426 1
1 731 . 16 1 1 A 79 79 ASN HA H 79 4.380 4.317 0.063 1
1 736 . 16 1 1 A 79 79 ASN CA C 79 54.319 53.869 0.450 1
1 737 . 16 1 1 A 79 79 ASN CB C 79 37.867 36.783 1.084 1
1 738 . 16 1 1 A 79 79 ASN N N 79 116.050 117.141 -1.091 1
1 740 . 16 1 1 A 80 80 ASP H H 80 8.019 8.434 -0.415 1
1 741 . 16 1 1 A 80 80 ASP HA H 80 4.784 4.661 0.123 1
1 744 . 16 1 1 A 80 80 ASP CA C 80 52.672 54.548 -1.876 1
1 745 . 16 1 1 A 80 80 ASP CB C 80 41.585 41.634 -0.049 1
1 746 . 16 1 1 A 80 80 ASP N N 80 115.620 122.708 -7.088 1
1 747 . 16 1 1 A 81 81 GLY H H 81 10.345 8.161 2.184 1
1 748 . 16 1 1 A 81 81 GLY HA2 H 81 4.339 4.143 0.196 1
1 749 . 16 1 1 A 81 81 GLY HA3 H 81 4.044 4.357 -0.313 1
1 750 . 16 1 1 A 81 81 GLY CA C 81 46.560 45.740 0.820 1
1 751 . 16 1 1 A 81 81 GLY N N 81 112.191 107.393 4.798 1
1 752 . 16 1 1 A 82 82 ARG H H 82 8.365 8.181 0.184 1
1 753 . 16 1 1 A 82 82 ARG HA H 82 5.105 4.540 0.565 1
1 760 . 16 1 1 A 82 82 ARG CA C 82 53.982 55.745 -1.763 1
1 761 . 16 1 1 A 82 82 ARG CB C 82 33.303 32.632 0.671 1
1 764 . 16 1 1 A 82 82 ARG N N 82 117.518 118.292 -0.774 1
1 765 . 16 1 1 A 83 83 MET H H 83 9.038 7.954 1.084 1
1 766 . 16 1 1 A 83 83 MET HA H 83 6.142 4.281 1.861 1
1 774 . 16 1 1 A 83 83 MET CA C 83 55.586 56.320 -0.734 1
1 775 . 16 1 1 A 83 83 MET CB C 83 38.610 31.253 7.357 1
1 778 . 16 1 1 A 83 83 MET N N 83 120.510 119.103 1.407 1
1 779 . 16 1 1 A 84 84 ASP H H 84 7.586 8.202 -0.616 1
1 780 . 16 1 1 A 84 84 ASP HA H 84 5.259 4.757 0.502 1
1 783 . 16 1 1 A 84 84 ASP CA C 84 51.182 53.124 -1.942 1
1 784 . 16 1 1 A 84 84 ASP CB C 84 42.047 42.644 -0.597 1
1 785 . 16 1 1 A 84 84 ASP N N 84 122.321 127.059 -4.738 1
1 786 . 16 1 1 A 85 85 GLN H H 85 7.988 8.664 -0.676 1
1 787 . 16 1 1 A 85 85 GLN HA H 85 2.609 4.111 -1.502 1
1 794 . 16 1 1 A 85 85 GLN CA C 85 58.909 59.440 -0.531 1
1 795 . 16 1 1 A 85 85 GLN CB C 85 29.346 28.569 0.777 1
1 797 . 16 1 1 A 85 85 GLN N N 85 115.617 123.580 -7.963 1
1 799 . 16 1 1 A 86 86 VAL H H 86 7.357 8.110 -0.753 1
1 800 . 16 1 1 A 86 86 VAL HA H 86 3.557 3.510 0.047 1
1 808 . 16 1 1 A 86 86 VAL CA C 86 66.117 66.340 -0.223 1
1 809 . 16 1 1 A 86 86 VAL CB C 86 31.538 31.739 -0.201 1
1 812 . 16 1 1 A 86 86 VAL N N 86 120.551 120.151 0.400 1
1 813 . 16 1 1 A 87 87 GLU H H 87 8.375 8.255 0.120 1
1 814 . 16 1 1 A 87 87 GLU HA H 87 3.908 4.050 -0.142 1
1 819 . 16 1 1 A 87 87 GLU CA C 87 59.424 59.620 -0.196 1
1 820 . 16 1 1 A 87 87 GLU CB C 87 31.466 29.253 2.213 1
1 822 . 16 1 1 A 87 87 GLU N N 87 119.417 118.942 0.475 1
1 823 . 16 1 1 A 88 88 PHE H H 88 8.482 9.110 -0.628 1
1 824 . 16 1 1 A 88 88 PHE HA H 88 4.427 4.042 0.385 1
1 828 . 16 1 1 A 88 88 PHE CA C 88 62.061 61.157 0.904 1
1 829 . 16 1 1 A 88 88 PHE CB C 88 40.726 38.878 1.848 1
1 831 . 16 1 1 A 88 88 PHE N N 88 117.094 122.191 -5.097 1
1 832 . 16 1 1 A 89 89 SER H H 89 7.490 8.193 -0.703 1
1 833 . 16 1 1 A 89 89 SER HA H 89 4.763 4.157 0.606 1
1 836 . 16 1 1 A 89 89 SER CA C 89 59.783 61.867 -2.084 1
1 837 . 16 1 1 A 89 89 SER CB C 89 59.544 63.159 -3.615 1
1 838 . 16 1 1 A 89 89 SER N N 89 113.424 115.086 -1.662 1
1 839 . 16 1 1 A 90 90 ILE H H 90 8.034 7.687 0.347 1
1 840 . 16 1 1 A 90 90 ILE HA H 90 3.506 3.860 -0.354 1
1 850 . 16 1 1 A 90 90 ILE CA C 90 66.098 63.386 2.712 1
1 851 . 16 1 1 A 90 90 ILE CB C 90 37.905 37.510 0.395 1
1 855 . 16 1 1 A 90 90 ILE N N 90 118.472 120.803 -2.331 1
1 856 . 16 1 1 A 91 91 ALA H H 91 8.197 7.664 0.533 1
1 857 . 16 1 1 A 91 91 ALA HA H 91 4.286 4.178 0.108 1
1 861 . 16 1 1 A 91 91 ALA CA C 91 52.435 54.203 -1.768 1
1 862 . 16 1 1 A 91 91 ALA CB C 91 19.091 18.605 0.486 1
1 863 . 16 1 1 A 91 91 ALA N N 91 119.275 123.811 -4.536 1
1 864 . 16 1 1 A 92 92 MET H H 92 8.183 7.870 0.313 1
1 865 . 16 1 1 A 92 92 MET HA H 92 4.268 4.224 0.044 1
1 870 . 16 1 1 A 92 92 MET CA C 92 55.643 58.151 -2.508 1
1 871 . 16 1 1 A 92 92 MET CB C 92 29.521 32.025 -2.504 1
1 873 . 16 1 1 A 92 92 MET N N 92 118.681 116.754 1.927 1
1 874 . 16 1 1 A 93 93 LYS H H 93 8.172 7.436 0.736 1
1 875 . 16 1 1 A 93 93 LYS HA H 93 4.006 4.106 -0.100 1
1 878 . 16 1 1 A 93 93 LYS CA C 93 56.840 59.001 -2.161 1
1 879 . 16 1 1 A 93 93 LYS CB C 93 32.830 32.079 0.751 1
1 880 . 16 1 1 A 93 93 LYS N N 93 120.362 120.403 -0.041 1
1 881 . 16 1 1 A 94 94 LEU H H 94 8.017 8.161 -0.144 1
1 882 . 16 1 1 A 94 94 LEU HA H 94 3.884 4.037 -0.153 1
1 892 . 16 1 1 A 94 94 LEU CA C 94 58.234 58.111 0.123 1
1 893 . 16 1 1 A 94 94 LEU CB C 94 42.050 41.604 0.446 1
1 897 . 16 1 1 A 94 94 LEU N N 94 114.192 119.308 -5.116 1
1 898 . 16 1 1 A 95 95 ILE H H 95 8.377 8.101 0.276 1
1 899 . 16 1 1 A 95 95 ILE HA H 95 3.254 3.512 -0.258 1
1 909 . 16 1 1 A 95 95 ILE CA C 95 66.013 65.975 0.038 1
1 910 . 16 1 1 A 95 95 ILE CB C 95 38.284 37.727 0.557 1
1 914 . 16 1 1 A 95 95 ILE N N 95 118.949 120.200 -1.251 1
1 915 . 16 1 1 A 96 96 LYS H H 96 7.751 7.999 -0.248 1
1 916 . 16 1 1 A 96 96 LYS HA H 96 3.928 4.036 -0.108 1
1 925 . 16 1 1 A 96 96 LYS CA C 96 59.701 59.370 0.331 1
1 926 . 16 1 1 A 96 96 LYS CB C 96 32.286 32.210 0.076 1
1 930 . 16 1 1 A 96 96 LYS N N 96 119.637 121.596 -1.959 1
1 931 . 16 1 1 A 97 97 LEU H H 97 8.382 7.915 0.467 1
1 932 . 16 1 1 A 97 97 LEU HA H 97 4.006 4.006 0.000 1
1 942 . 16 1 1 A 97 97 LEU CA C 97 57.363 57.851 -0.488 1
1 943 . 16 1 1 A 97 97 LEU CB C 97 40.459 40.901 -0.442 1
1 947 . 16 1 1 A 97 97 LEU N N 97 117.727 119.254 -1.527 1
1 948 . 16 1 1 A 98 98 LYS H H 98 8.761 8.300 0.461 1
1 949 . 16 1 1 A 98 98 LYS HA H 98 4.548 4.119 0.429 1
1 958 . 16 1 1 A 98 98 LYS CA C 98 57.477 59.689 -2.212 1
1 959 . 16 1 1 A 98 98 LYS CB C 98 31.294 32.365 -1.071 1
1 963 . 16 1 1 A 98 98 LYS N N 98 122.255 119.190 3.065 1
1 964 . 16 1 1 A 99 99 LEU H H 99 8.798 8.093 0.705 1
1 965 . 16 1 1 A 99 99 LEU HA H 99 4.100 4.027 0.073 1
1 975 . 16 1 1 A 99 99 LEU CA C 99 57.878 57.375 0.503 1
1 976 . 16 1 1 A 99 99 LEU CB C 99 41.605 41.141 0.464 1
1 980 . 16 1 1 A 99 99 LEU N N 99 122.214 120.244 1.970 1
1 981 . 16 1 1 A 100 100 GLN H H 100 7.749 7.693 0.056 1
1 982 . 16 1 1 A 100 100 GLN HA H 100 4.285 4.314 -0.029 1
1 989 . 16 1 1 A 100 100 GLN CA C 100 56.503 55.757 0.746 1
1 990 . 16 1 1 A 100 100 GLN CB C 100 29.576 29.240 0.336 1
1 992 . 16 1 1 A 100 100 GLN N N 100 116.914 116.375 0.539 1
1 993 . 16 1 1 A 101 101 GLY H H 101 7.910 7.886 0.024 1
1 994 . 16 1 1 A 101 101 GLY HA2 H 101 4.262 3.835 0.427 1
1 995 . 16 1 1 A 101 101 GLY HA3 H 101 3.661 3.942 -0.281 1
1 996 . 16 1 1 A 101 101 GLY CA C 101 44.884 45.746 -0.862 1
1 997 . 16 1 1 A 101 101 GLY N N 101 106.044 107.181 -1.137 1
1 998 . 16 1 1 A 102 102 TYR H H 102 8.078 8.032 0.046 1
1 999 . 16 1 1 A 102 102 TYR HA H 102 4.311 5.118 -0.807 1
1 1006 . 16 1 1 A 102 102 TYR CA C 102 59.253 56.674 2.579 1
1 1007 . 16 1 1 A 102 102 TYR CB C 102 37.849 43.221 -5.372 1
1 1010 . 16 1 1 A 102 102 TYR N N 102 120.876 119.161 1.715 1
1 1011 . 16 1 1 A 103 103 GLN H H 103 8.610 9.028 -0.418 1
1 1012 . 16 1 1 A 103 103 GLN HA H 103 4.280 4.561 -0.281 1
1 1015 . 16 1 1 A 103 103 GLN CA C 103 56.620 57.394 -0.774 1
1 1016 . 16 1 1 A 103 103 GLN CB C 103 29.100 31.722 -2.622 1
1 1017 . 16 1 1 A 103 103 GLN N N 103 119.785 122.984 -3.199 1
1 1018 . 16 1 1 A 105 105 PRO HA H 105 4.631 4.696 -0.065 1
1 1025 . 16 1 1 A 105 105 PRO CA C 105 61.602 62.209 -0.607 1
1 1026 . 16 1 1 A 105 105 PRO CB C 105 31.690 33.143 -1.453 1
1 1029 . 16 1 1 A 106 106 SER H H 106 8.485 8.337 0.148 1
1 1030 . 16 1 1 A 106 106 SER HA H 106 4.183 4.430 -0.247 1
1 1033 . 16 1 1 A 106 106 SER CA C 106 59.525 58.438 1.087 1
1 1034 . 16 1 1 A 106 106 SER CB C 106 63.078 63.594 -0.516 1
1 1035 . 16 1 1 A 106 106 SER N N 106 112.361 112.955 -0.594 1
1 1036 . 16 1 1 A 107 107 ALA H H 107 7.410 7.536 -0.126 1
1 1037 . 16 1 1 A 107 107 ALA HA H 107 4.308 4.801 -0.493 1
1 1041 . 16 1 1 A 107 107 ALA CA C 107 50.086 50.931 -0.845 1
1 1042 . 16 1 1 A 107 107 ALA CB C 107 21.253 21.499 -0.246 1
1 1043 . 16 1 1 A 107 107 ALA N N 107 121.311 123.575 -2.264 1
1 1044 . 16 1 1 A 108 108 LEU H H 108 8.915 8.657 0.258 1
1 1045 . 16 1 1 A 108 108 LEU HA H 108 4.020 4.808 -0.788 1
1 1055 . 16 1 1 A 108 108 LEU CA C 108 52.990 52.849 0.141 1
1 1056 . 16 1 1 A 108 108 LEU CB C 108 42.041 42.052 -0.011 1
1 1060 . 16 1 1 A 108 108 LEU N N 108 122.607 122.491 0.116 1
1 1061 . 16 1 1 A 110 110 PRO HA H 110 4.024 4.234 -0.210 1
1 1068 . 16 1 1 A 110 110 PRO CA C 110 65.440 64.960 0.480 1
1 1069 . 16 1 1 A 110 110 PRO CB C 110 31.638 31.822 -0.184 1
1 1072 . 16 1 1 A 111 111 VAL H H 111 8.118 7.292 0.826 1
1 1073 . 16 1 1 A 111 111 VAL HA H 111 3.986 3.839 0.147 1
1 1081 . 16 1 1 A 111 111 VAL CA C 111 63.779 65.118 -1.339 1
1 1082 . 16 1 1 A 111 111 VAL CB C 111 31.065 31.296 -0.231 1
1 1085 . 16 1 1 A 111 111 VAL N N 111 115.605 116.369 -0.764 1
1 1086 . 16 1 1 A 112 112 MET H H 112 7.908 7.876 0.032 1
1 1087 . 16 1 1 A 112 112 MET HA H 112 4.160 4.379 -0.219 1
1 1095 . 16 1 1 A 112 112 MET CA C 112 59.098 57.984 1.114 1
1 1096 . 16 1 1 A 112 112 MET CB C 112 34.024 32.316 1.708 1
1 1099 . 16 1 1 A 112 112 MET N N 112 118.943 118.349 0.594 1
1 1100 . 16 1 1 A 113 113 LYS H H 113 7.330 7.272 0.058 1
1 1101 . 16 1 1 A 113 113 LYS HA H 113 4.182 4.292 -0.110 1
1 1110 . 16 1 1 A 113 113 LYS CA C 113 55.987 56.186 -0.199 1
1 1111 . 16 1 1 A 113 113 LYS CB C 113 32.841 31.771 1.070 1
1 1115 . 16 1 1 A 113 113 LYS N N 113 112.617 115.077 -2.460 1
1 1116 . 16 1 1 A 114 114 GLN H H 114 7.114 7.773 -0.659 1
1 1117 . 16 1 1 A 114 114 GLN HA H 114 4.309 4.322 -0.013 1
1 1124 . 16 1 1 A 114 114 GLN CA C 114 54.956 58.152 -3.196 1
1 1125 . 16 1 1 A 114 114 GLN CB C 114 29.241 27.575 1.666 1
1 1127 . 16 1 1 A 114 114 GLN N N 114 117.852 116.061 1.791 1
1 1129 . 16 1 1 A 115 115 GLN H H 115 8.556 8.401 0.155 1
1 1130 . 16 1 1 A 115 115 GLN HA H 115 4.501 4.576 -0.075 1
1 1137 . 16 1 1 A 115 115 GLN CA C 115 53.858 53.234 0.624 1
1 1138 . 16 1 1 A 115 115 GLN CB C 115 28.234 29.835 -1.601 1
1 1140 . 16 1 1 A 115 115 GLN N N 115 123.195 121.165 2.030 1
1 1142 . 16 1 1 A 116 116 PRO HA H 116 4.530 4.471 0.059 1
1 1149 . 16 1 1 A 116 116 PRO CA C 116 63.050 63.327 -0.277 1
1 1150 . 16 1 1 A 116 116 PRO CB C 116 31.953 31.891 0.062 1
1 1153 . 16 1 1 A 117 117 VAL H H 117 8.345 8.234 0.111 1
1 1154 . 16 1 1 A 117 117 VAL HA H 117 4.167 4.546 -0.379 1
1 1162 . 16 1 1 A 117 117 VAL CA C 117 61.258 59.559 1.699 1
1 1163 . 16 1 1 A 117 117 VAL CB C 117 33.724 34.842 -1.118 1
1 1166 . 16 1 1 A 117 117 VAL N N 117 120.361 117.083 3.278 1
1 1167 . 16 1 1 A 118 118 ALA H H 118 8.470 8.499 -0.029 1
1 1168 . 16 1 1 A 118 118 ALA HA H 118 4.452 3.845 0.607 1
1 1172 . 16 1 1 A 118 118 ALA CA C 118 51.678 53.092 -1.414 1
1 1173 . 16 1 1 A 118 118 ALA CB C 118 19.260 17.708 1.552 1
1 1174 . 16 1 1 A 118 118 ALA N N 118 128.412 122.012 6.400 1
1 1175 . 16 1 1 A 119 119 ILE H H 119 8.250 7.780 0.470 1
1 1176 . 16 1 1 A 119 119 ILE HA H 119 4.240 4.539 -0.299 1
1 1186 . 16 1 1 A 119 119 ILE CA C 119 60.743 60.102 0.641 1
1 1187 . 16 1 1 A 119 119 ILE CB C 119 38.914 39.615 -0.701 1
1 1191 . 16 1 1 A 119 119 ILE N N 119 120.929 117.815 3.114 1
1 1192 . 16 1 1 A 120 120 SER H H 120 8.413 8.722 -0.309 1
1 1193 . 16 1 1 A 120 120 SER HA H 120 4.543 4.674 -0.131 1
1 1196 . 16 1 1 A 120 120 SER CA C 120 57.878 57.952 -0.074 1
1 1197 . 16 1 1 A 120 120 SER CB C 120 63.951 64.706 -0.755 1
1 1198 . 16 1 1 A 120 120 SER N N 120 120.494 125.989 -5.495 1
1 1 . 17 1 1 A 12 12 ALA H H 12 8.223 8.345 -0.122 1
1 2 . 17 1 1 A 12 12 ALA HA H 12 4.220 4.763 -0.543 1
1 6 . 17 1 1 A 12 12 ALA CA C 12 52.323 50.721 1.602 1
1 7 . 17 1 1 A 12 12 ALA CB C 12 19.015 19.068 -0.053 1
1 8 . 17 1 1 A 12 12 ALA N N 12 124.624 122.937 1.687 1
1 9 . 17 1 1 A 13 13 GLN H H 13 8.220 8.716 -0.496 1
1 10 . 17 1 1 A 13 13 GLN HA H 13 4.292 4.887 -0.595 1
1 13 . 17 1 1 A 13 13 GLN CA C 13 55.457 55.155 0.302 1
1 14 . 17 1 1 A 13 13 GLN CB C 13 29.804 30.430 -0.626 1
1 15 . 17 1 1 A 13 13 GLN N N 13 119.119 122.313 -3.194 1
1 16 . 17 1 1 A 14 14 PHE H H 14 8.109 8.923 -0.814 1
1 17 . 17 1 1 A 14 14 PHE HA H 14 4.559 5.191 -0.632 1
1 20 . 17 1 1 A 14 14 PHE CA C 14 58.250 55.412 2.838 1
1 21 . 17 1 1 A 14 14 PHE CB C 14 39.950 40.866 -0.916 1
1 22 . 17 1 1 A 14 14 PHE N N 14 121.712 122.968 -1.256 1
1 23 . 17 1 1 A 15 15 PRO HA H 15 4.492 4.749 -0.257 1
1 30 . 17 1 1 A 15 15 PRO CA C 15 63.047 62.141 0.906 1
1 31 . 17 1 1 A 15 15 PRO CB C 15 31.810 32.619 -0.809 1
1 34 . 17 1 1 A 16 16 THR H H 16 8.197 8.483 -0.286 1
1 35 . 17 1 1 A 16 16 THR HA H 16 4.614 4.632 -0.018 1
1 40 . 17 1 1 A 16 16 THR CA C 16 59.526 58.332 1.194 1
1 41 . 17 1 1 A 16 16 THR CB C 16 69.603 72.158 -2.555 1
1 43 . 17 1 1 A 16 16 THR N N 16 115.700 116.376 -0.676 1
1 44 . 17 1 1 A 17 17 PRO HA H 17 4.360 4.702 -0.342 1
1 51 . 17 1 1 A 17 17 PRO CA C 17 63.321 62.324 0.997 1
1 52 . 17 1 1 A 17 17 PRO CB C 17 31.680 33.216 -1.536 1
1 55 . 17 1 1 A 18 18 PHE H H 18 8.212 8.603 -0.391 1
1 56 . 17 1 1 A 18 18 PHE HA H 18 4.589 5.268 -0.679 1
1 64 . 17 1 1 A 18 18 PHE CA C 18 57.648 55.840 1.808 1
1 65 . 17 1 1 A 18 18 PHE CB C 18 39.165 42.011 -2.846 1
1 69 . 17 1 1 A 18 18 PHE N N 18 119.185 117.007 2.178 1
1 70 . 17 1 1 A 19 19 GLY H H 19 8.250 9.015 -0.765 1
1 71 . 17 1 1 A 19 19 GLY HA2 H 19 3.943 3.883 0.060 1
1 72 . 17 1 1 A 19 19 GLY HA3 H 19 3.935 3.962 -0.027 1
1 73 . 17 1 1 A 19 19 GLY CA C 19 45.100 46.864 -1.764 1
1 74 . 17 1 1 A 19 19 GLY N N 19 110.566 107.823 2.743 1
1 75 . 17 1 1 A 20 20 GLY H H 20 7.873 8.639 -0.766 1
1 76 . 17 1 1 A 20 20 GLY HA2 H 20 3.964 4.021 -0.057 1
1 77 . 17 1 1 A 20 20 GLY HA3 H 20 3.955 4.150 -0.195 1
1 78 . 17 1 1 A 20 20 GLY CA C 20 45.056 47.117 -2.061 1
1 79 . 17 1 1 A 20 20 GLY N N 20 108.171 111.153 -2.982 1
1 80 . 17 1 1 A 21 21 SER H H 21 8.274 8.579 -0.305 1
1 81 . 17 1 1 A 21 21 SER HA H 21 4.523 5.108 -0.585 1
1 84 . 17 1 1 A 21 21 SER CA C 21 57.951 57.397 0.554 1
1 85 . 17 1 1 A 21 21 SER CB C 21 63.946 65.993 -2.047 1
1 86 . 17 1 1 A 21 21 SER N N 21 115.180 118.457 -3.277 1
1 87 . 17 1 1 A 22 22 LEU H H 22 8.435 9.132 -0.697 1
1 88 . 17 1 1 A 22 22 LEU HA H 22 4.302 4.348 -0.046 1
1 98 . 17 1 1 A 22 22 LEU CA C 22 55.846 55.468 0.378 1
1 99 . 17 1 1 A 22 22 LEU CB C 22 42.229 41.484 0.745 1
1 103 . 17 1 1 A 22 22 LEU N N 22 123.998 124.170 -0.172 1
1 104 . 17 1 1 A 23 23 ASP H H 23 8.291 8.944 -0.653 1
1 105 . 17 1 1 A 23 23 ASP HA H 23 4.494 4.404 0.090 1
1 108 . 17 1 1 A 23 23 ASP CA C 23 54.981 55.554 -0.573 1
1 109 . 17 1 1 A 23 23 ASP CB C 23 41.190 39.328 1.862 1
1 110 . 17 1 1 A 23 23 ASP N N 23 120.385 122.594 -2.209 1
1 111 . 17 1 1 A 24 24 THR H H 24 8.010 7.778 0.232 1
1 112 . 17 1 1 A 24 24 THR HA H 24 3.770 3.965 -0.195 1
1 117 . 17 1 1 A 24 24 THR CA C 24 64.590 65.755 -1.165 1
1 118 . 17 1 1 A 24 24 THR CB C 24 69.620 68.537 1.083 1
1 120 . 17 1 1 A 24 24 THR N N 24 117.799 110.639 7.160 1
1 121 . 17 1 1 A 25 25 TRP H H 25 7.780 7.729 0.051 1
1 122 . 17 1 1 A 25 25 TRP HA H 25 4.012 4.588 -0.576 1
1 131 . 17 1 1 A 25 25 TRP CA C 25 57.837 58.385 -0.548 1
1 132 . 17 1 1 A 25 25 TRP CB C 25 28.842 29.241 -0.399 1
1 138 . 17 1 1 A 25 25 TRP N N 25 118.659 119.263 -0.604 1
1 140 . 17 1 1 A 26 26 ALA H H 26 7.101 7.552 -0.451 1
1 141 . 17 1 1 A 26 26 ALA HA H 26 3.949 4.621 -0.672 1
1 145 . 17 1 1 A 26 26 ALA CA C 26 52.102 50.659 1.443 1
1 146 . 17 1 1 A 26 26 ALA CB C 26 18.840 22.218 -3.378 1
1 147 . 17 1 1 A 26 26 ALA N N 26 117.054 121.736 -4.682 1
1 148 . 17 1 1 A 27 27 ILE H H 27 8.687 8.733 -0.046 1
1 149 . 17 1 1 A 27 27 ILE HA H 27 4.332 4.388 -0.056 1
1 159 . 17 1 1 A 27 27 ILE CA C 27 61.430 60.870 0.560 1
1 160 . 17 1 1 A 27 27 ILE CB C 27 38.550 37.166 1.384 1
1 164 . 17 1 1 A 27 27 ILE N N 27 125.107 120.753 4.354 1
1 165 . 17 1 1 A 28 28 THR H H 28 8.981 8.224 0.757 1
1 166 . 17 1 1 A 28 28 THR HA H 28 4.760 4.500 0.260 1
1 171 . 17 1 1 A 28 28 THR CA C 28 60.685 62.482 -1.797 1
1 172 . 17 1 1 A 28 28 THR CB C 28 71.252 69.778 1.474 1
1 174 . 17 1 1 A 28 28 THR N N 28 118.938 122.774 -3.836 1
1 175 . 17 1 1 A 29 29 VAL H H 29 8.612 8.777 -0.165 1
1 176 . 17 1 1 A 29 29 VAL HA H 29 3.532 3.918 -0.386 1
1 184 . 17 1 1 A 29 29 VAL CA C 29 66.349 65.270 1.079 1
1 185 . 17 1 1 A 29 29 VAL CB C 29 31.799 31.663 0.136 1
1 188 . 17 1 1 A 29 29 VAL N N 29 119.411 126.230 -6.819 1
1 189 . 17 1 1 A 30 30 GLU H H 30 8.432 8.198 0.234 1
1 190 . 17 1 1 A 30 30 GLU HA H 30 4.011 3.941 0.070 1
1 195 . 17 1 1 A 30 30 GLU CA C 30 59.597 59.777 -0.180 1
1 196 . 17 1 1 A 30 30 GLU CB C 30 28.912 29.012 -0.100 1
1 198 . 17 1 1 A 30 30 GLU N N 30 119.890 121.019 -1.129 1
1 199 . 17 1 1 A 31 31 GLU H H 31 7.737 8.270 -0.533 1
1 200 . 17 1 1 A 31 31 GLU HA H 31 3.604 4.156 -0.552 1
1 205 . 17 1 1 A 31 31 GLU CA C 31 58.718 58.806 -0.088 1
1 206 . 17 1 1 A 31 31 GLU CB C 31 30.666 29.298 1.368 1
1 208 . 17 1 1 A 31 31 GLU N N 31 120.821 118.697 2.124 1
1 209 . 17 1 1 A 32 32 ARG H H 32 8.382 8.267 0.115 1
1 210 . 17 1 1 A 32 32 ARG HA H 32 3.998 4.240 -0.242 1
1 213 . 17 1 1 A 32 32 ARG CA C 32 57.356 59.257 -1.901 1
1 214 . 17 1 1 A 32 32 ARG CB C 32 28.870 29.834 -0.964 1
1 215 . 17 1 1 A 32 32 ARG N N 32 117.523 121.048 -3.525 1
1 216 . 17 1 1 A 33 33 ALA H H 33 7.919 8.398 -0.479 1
1 217 . 17 1 1 A 33 33 ALA HA H 33 4.248 3.931 0.317 1
1 221 . 17 1 1 A 33 33 ALA CA C 33 55.007 54.979 0.028 1
1 222 . 17 1 1 A 33 33 ALA CB C 33 17.601 18.353 -0.752 1
1 223 . 17 1 1 A 33 33 ALA N N 33 119.982 120.666 -0.684 1
1 224 . 17 1 1 A 34 34 LYS H H 34 7.212 8.290 -1.078 1
1 225 . 17 1 1 A 34 34 LYS HA H 34 4.194 4.157 0.037 1
1 234 . 17 1 1 A 34 34 LYS CA C 34 58.852 59.722 -0.870 1
1 235 . 17 1 1 A 34 34 LYS CB C 34 31.598 32.430 -0.832 1
1 239 . 17 1 1 A 34 34 LYS N N 34 119.567 118.853 0.714 1
1 240 . 17 1 1 A 35 35 HIS H H 35 8.814 8.457 0.357 1
1 241 . 17 1 1 A 35 35 HIS HA H 35 4.923 4.498 0.425 1
1 244 . 17 1 1 A 35 35 HIS CA C 35 57.821 59.096 -1.275 1
1 245 . 17 1 1 A 35 35 HIS CB C 35 29.950 29.023 0.927 1
1 246 . 17 1 1 A 35 35 HIS N N 35 122.252 117.173 5.079 1
1 247 . 17 1 1 A 36 36 ASP H H 36 9.292 7.895 1.397 1
1 248 . 17 1 1 A 36 36 ASP HA H 36 4.454 4.195 0.259 1
1 251 . 17 1 1 A 36 36 ASP CA C 36 57.305 57.670 -0.365 1
1 252 . 17 1 1 A 36 36 ASP CB C 36 39.889 41.128 -1.239 1
1 253 . 17 1 1 A 36 36 ASP N N 36 118.831 122.676 -3.845 1
1 254 . 17 1 1 A 37 37 GLN H H 37 7.673 8.143 -0.470 1
1 255 . 17 1 1 A 37 37 GLN HA H 37 4.241 3.972 0.269 1
1 262 . 17 1 1 A 37 37 GLN CA C 37 59.019 59.450 -0.431 1
1 263 . 17 1 1 A 37 37 GLN CB C 37 28.315 28.412 -0.097 1
1 265 . 17 1 1 A 37 37 GLN N N 37 120.072 119.227 0.845 1
1 266 . 17 1 1 A 38 38 GLN H H 38 8.329 8.542 -0.213 1
1 267 . 17 1 1 A 38 38 GLN HA H 38 4.040 4.256 -0.216 1
1 274 . 17 1 1 A 38 38 GLN CA C 38 58.734 59.091 -0.357 1
1 275 . 17 1 1 A 38 38 GLN CB C 38 28.549 28.592 -0.043 1
1 277 . 17 1 1 A 38 38 GLN N N 38 120.847 118.957 1.890 1
1 279 . 17 1 1 A 39 39 PHE H H 39 9.453 8.506 0.947 1
1 280 . 17 1 1 A 39 39 PHE HA H 39 2.811 4.023 -1.212 1
1 286 . 17 1 1 A 39 39 PHE CA C 39 61.602 61.357 0.245 1
1 287 . 17 1 1 A 39 39 PHE CB C 39 38.799 38.829 -0.030 1
1 291 . 17 1 1 A 39 39 PHE N N 39 123.507 120.691 2.816 1
1 292 . 17 1 1 A 40 40 HIS H H 40 8.096 8.523 -0.427 1
1 293 . 17 1 1 A 40 40 HIS HA H 40 3.884 4.238 -0.354 1
1 297 . 17 1 1 A 40 40 HIS CA C 40 59.910 60.178 -0.268 1
1 298 . 17 1 1 A 40 40 HIS CB C 40 29.558 29.475 0.083 1
1 300 . 17 1 1 A 40 40 HIS N N 40 114.319 118.671 -4.352 1
1 301 . 17 1 1 A 41 41 SER H H 41 7.818 8.266 -0.448 1
1 302 . 17 1 1 A 41 41 SER HA H 41 4.300 4.348 -0.048 1
1 305 . 17 1 1 A 41 41 SER CA C 41 60.851 61.785 -0.934 1
1 306 . 17 1 1 A 41 41 SER CB C 41 62.612 63.336 -0.724 1
1 307 . 17 1 1 A 41 41 SER N N 41 116.677 115.589 1.088 1
1 308 . 17 1 1 A 42 42 LEU H H 42 7.079 7.336 -0.257 1
1 309 . 17 1 1 A 42 42 LEU HA H 42 4.071 4.198 -0.127 1
1 319 . 17 1 1 A 42 42 LEU CA C 42 54.685 54.900 -0.215 1
1 320 . 17 1 1 A 42 42 LEU CB C 42 40.874 41.887 -1.013 1
1 324 . 17 1 1 A 42 42 LEU N N 42 121.868 118.056 3.812 1
1 325 . 17 1 1 A 43 43 LYS H H 43 7.345 7.419 -0.074 1
1 326 . 17 1 1 A 43 43 LYS HA H 43 3.877 3.846 0.031 1
1 335 . 17 1 1 A 43 43 LYS CA C 43 56.035 56.529 -0.494 1
1 336 . 17 1 1 A 43 43 LYS CB C 43 28.886 30.760 -1.874 1
1 340 . 17 1 1 A 43 43 LYS N N 43 110.393 115.733 -5.340 1
1 341 . 17 1 1 A 44 44 PRO HA H 44 4.239 4.275 -0.036 1
1 348 . 17 1 1 A 44 44 PRO CA C 44 62.424 62.966 -0.542 1
1 349 . 17 1 1 A 44 44 PRO CB C 44 32.413 32.423 -0.010 1
1 352 . 17 1 1 A 45 45 ILE H H 45 8.586 8.566 0.020 1
1 353 . 17 1 1 A 45 45 ILE HA H 45 4.337 3.987 0.350 1
1 363 . 17 1 1 A 45 45 ILE CA C 45 60.170 63.085 -2.915 1
1 364 . 17 1 1 A 45 45 ILE CB C 45 39.143 38.777 0.366 1
1 368 . 17 1 1 A 45 45 ILE N N 45 120.985 123.142 -2.157 1
1 369 . 17 1 1 A 46 46 SER H H 46 9.512 7.065 2.447 1
1 370 . 17 1 1 A 46 46 SER HA H 46 4.055 4.505 -0.450 1
1 373 . 17 1 1 A 46 46 SER CA C 46 58.483 56.955 1.528 1
1 374 . 17 1 1 A 46 46 SER CB C 46 62.174 63.431 -1.257 1
1 375 . 17 1 1 A 46 46 SER N N 46 124.158 115.632 8.526 1
1 376 . 17 1 1 A 47 47 GLY H H 47 8.555 8.123 0.432 1
1 377 . 17 1 1 A 47 47 GLY HA2 H 47 4.020 3.909 0.111 1
1 378 . 17 1 1 A 47 47 GLY HA3 H 47 3.531 3.929 -0.398 1
1 379 . 17 1 1 A 47 47 GLY CA C 47 44.328 45.424 -1.096 1
1 380 . 17 1 1 A 47 47 GLY N N 47 162.194 107.743 54.451 1
1 381 . 17 1 1 A 48 48 PHE H H 48 7.710 7.237 0.473 1
1 382 . 17 1 1 A 48 48 PHE HA H 48 5.783 5.476 0.307 1
1 387 . 17 1 1 A 48 48 PHE CA C 48 56.732 55.703 1.029 1
1 388 . 17 1 1 A 48 48 PHE CB C 48 43.784 41.878 1.906 1
1 391 . 17 1 1 A 48 48 PHE N N 48 115.641 114.953 0.688 1
1 392 . 17 1 1 A 49 49 ILE H H 49 9.141 9.173 -0.032 1
1 393 . 17 1 1 A 49 49 ILE HA H 49 4.908 4.821 0.087 1
1 403 . 17 1 1 A 49 49 ILE CA C 49 59.368 59.209 0.159 1
1 404 . 17 1 1 A 49 49 ILE CB C 49 39.945 38.745 1.200 1
1 408 . 17 1 1 A 49 49 ILE N N 49 114.692 117.242 -2.550 1
1 409 . 17 1 1 A 50 50 THR H H 50 8.700 8.372 0.328 1
1 410 . 17 1 1 A 50 50 THR HA H 50 4.473 4.879 -0.406 1
1 415 . 17 1 1 A 50 50 THR CA C 50 60.914 59.870 1.044 1
1 416 . 17 1 1 A 50 50 THR CB C 50 70.829 70.987 -0.158 1
1 418 . 17 1 1 A 50 50 THR N N 50 112.658 115.400 -2.742 1
1 419 . 17 1 1 A 51 51 GLY H H 51 8.778 9.081 -0.303 1
1 420 . 17 1 1 A 51 51 GLY HA2 H 51 3.790 3.814 -0.024 1
1 421 . 17 1 1 A 51 51 GLY HA3 H 51 3.713 3.854 -0.141 1
1 422 . 17 1 1 A 51 51 GLY CA C 51 48.310 47.580 0.730 1
1 423 . 17 1 1 A 51 51 GLY N N 51 108.204 113.357 -5.153 1
1 424 . 17 1 1 A 52 52 ASP H H 52 8.225 8.326 -0.101 1
1 425 . 17 1 1 A 52 52 ASP HA H 52 4.216 4.153 0.063 1
1 428 . 17 1 1 A 52 52 ASP CA C 52 57.344 57.279 0.065 1
1 429 . 17 1 1 A 52 52 ASP CB C 52 40.304 41.646 -1.342 1
1 430 . 17 1 1 A 52 52 ASP N N 52 119.404 121.665 -2.261 1
1 431 . 17 1 1 A 53 53 GLN H H 53 7.810 8.030 -0.220 1
1 432 . 17 1 1 A 53 53 GLN HA H 53 3.969 3.974 -0.005 1
1 439 . 17 1 1 A 53 53 GLN CA C 53 58.673 58.463 0.210 1
1 440 . 17 1 1 A 53 53 GLN CB C 53 29.794 28.623 1.171 1
1 442 . 17 1 1 A 53 53 GLN N N 53 118.935 119.143 -0.208 1
1 444 . 17 1 1 A 54 54 ALA H H 54 8.293 8.286 0.007 1
1 445 . 17 1 1 A 54 54 ALA HA H 54 3.642 3.700 -0.058 1
1 449 . 17 1 1 A 54 54 ALA CA C 54 55.243 55.059 0.184 1
1 450 . 17 1 1 A 54 54 ALA CB C 54 19.448 17.928 1.520 1
1 451 . 17 1 1 A 54 54 ALA N N 54 120.858 122.254 -1.396 1
1 452 . 17 1 1 A 55 55 ARG H H 55 8.744 7.912 0.832 1
1 453 . 17 1 1 A 55 55 ARG HA H 55 3.795 3.928 -0.133 1
1 460 . 17 1 1 A 55 55 ARG CA C 55 60.628 59.305 1.323 1
1 461 . 17 1 1 A 55 55 ARG CB C 55 30.224 29.823 0.401 1
1 464 . 17 1 1 A 55 55 ARG N N 55 115.211 117.468 -2.257 1
1 465 . 17 1 1 A 56 56 ASN H H 56 8.056 8.169 -0.113 1
1 466 . 17 1 1 A 56 56 ASN HA H 56 4.470 4.386 0.084 1
1 471 . 17 1 1 A 56 56 ASN CA C 56 56.091 56.336 -0.245 1
1 472 . 17 1 1 A 56 56 ASN CB C 56 38.069 40.088 -2.019 1
1 473 . 17 1 1 A 56 56 ASN N N 56 116.543 117.793 -1.250 1
1 475 . 17 1 1 A 57 57 PHE H H 57 7.567 7.739 -0.172 1
1 476 . 17 1 1 A 57 57 PHE HA H 57 4.517 4.295 0.222 1
1 481 . 17 1 1 A 57 57 PHE CA C 57 61.373 61.266 0.107 1
1 482 . 17 1 1 A 57 57 PHE CB C 57 39.518 38.587 0.931 1
1 485 . 17 1 1 A 57 57 PHE N N 57 121.111 120.075 1.036 1
1 486 . 17 1 1 A 58 58 PHE H H 58 8.995 7.897 1.098 1
1 487 . 17 1 1 A 58 58 PHE HA H 58 4.501 4.303 0.198 1
1 491 . 17 1 1 A 58 58 PHE CA C 58 57.190 61.471 -4.281 1
1 492 . 17 1 1 A 58 58 PHE CB C 58 37.236 39.156 -1.920 1
1 494 . 17 1 1 A 58 58 PHE N N 58 119.594 118.206 1.388 1
1 495 . 17 1 1 A 59 59 PHE H H 59 8.510 8.877 -0.367 1
1 496 . 17 1 1 A 59 59 PHE HA H 59 4.296 4.115 0.181 1
1 500 . 17 1 1 A 59 59 PHE CA C 59 60.456 61.228 -0.772 1
1 501 . 17 1 1 A 59 59 PHE CB C 59 38.914 39.163 -0.249 1
1 503 . 17 1 1 A 59 59 PHE N N 59 120.834 118.926 1.908 1
1 504 . 17 1 1 A 60 60 GLN H H 60 7.652 8.458 -0.806 1
1 505 . 17 1 1 A 60 60 GLN HA H 60 4.056 4.072 -0.016 1
1 512 . 17 1 1 A 60 60 GLN CA C 60 57.133 57.914 -0.781 1
1 513 . 17 1 1 A 60 60 GLN CB C 60 27.771 28.467 -0.696 1
1 515 . 17 1 1 A 60 60 GLN N N 60 116.464 119.290 -2.826 1
1 517 . 17 1 1 A 61 61 SER H H 61 7.823 7.568 0.255 1
1 518 . 17 1 1 A 61 61 SER HA H 61 3.985 4.390 -0.405 1
1 521 . 17 1 1 A 61 61 SER CA C 61 60.571 58.505 2.066 1
1 522 . 17 1 1 A 61 61 SER CB C 61 65.277 63.625 1.652 1
1 523 . 17 1 1 A 61 61 SER N N 61 113.448 112.096 1.352 1
1 524 . 17 1 1 A 62 62 GLY H H 62 7.478 8.290 -0.812 1
1 525 . 17 1 1 A 62 62 GLY HA2 H 62 4.115 3.746 0.369 1
1 526 . 17 1 1 A 62 62 GLY HA3 H 62 3.699 3.833 -0.134 1
1 527 . 17 1 1 A 62 62 GLY CA C 62 45.445 46.158 -0.713 1
1 528 . 17 1 1 A 62 62 GLY N N 62 108.189 110.076 -1.887 1
1 529 . 17 1 1 A 63 63 LEU H H 63 7.282 7.795 -0.513 1
1 530 . 17 1 1 A 63 63 LEU HA H 63 4.471 4.752 -0.281 1
1 540 . 17 1 1 A 63 63 LEU CA C 63 52.971 51.543 1.428 1
1 541 . 17 1 1 A 63 63 LEU CB C 63 41.597 43.781 -2.184 1
1 545 . 17 1 1 A 63 63 LEU N N 63 120.356 121.058 -0.702 1
1 546 . 17 1 1 A 64 64 PRO HA H 64 4.559 4.565 -0.006 1
1 553 . 17 1 1 A 64 64 PRO CA C 64 63.039 62.748 0.291 1
1 554 . 17 1 1 A 64 64 PRO CB C 64 33.402 32.536 0.866 1
1 557 . 17 1 1 A 65 65 GLN H H 65 9.289 8.678 0.611 1
1 558 . 17 1 1 A 65 65 GLN HA H 65 4.194 4.109 0.085 1
1 563 . 17 1 1 A 65 65 GLN CA C 65 61.180 60.270 0.910 1
1 564 . 17 1 1 A 65 65 GLN CB C 65 25.845 27.982 -2.137 1
1 566 . 17 1 1 A 65 65 GLN N N 65 122.729 122.025 0.704 1
1 567 . 17 1 1 A 66 66 PRO HA H 66 4.399 4.461 -0.062 1
1 574 . 17 1 1 A 66 66 PRO CA C 66 65.956 65.258 0.698 1
1 575 . 17 1 1 A 66 66 PRO CB C 66 30.665 31.390 -0.725 1
1 578 . 17 1 1 A 67 67 VAL H H 67 6.875 6.968 -0.093 1
1 579 . 17 1 1 A 67 67 VAL HA H 67 3.930 3.857 0.073 1
1 587 . 17 1 1 A 67 67 VAL CA C 67 64.811 65.302 -0.491 1
1 588 . 17 1 1 A 67 67 VAL CB C 67 31.581 31.828 -0.247 1
1 591 . 17 1 1 A 67 67 VAL N N 67 117.350 116.337 1.013 1
1 592 . 17 1 1 A 68 68 LEU H H 68 7.965 8.464 -0.499 1
1 593 . 17 1 1 A 68 68 LEU HA H 68 3.955 3.836 0.119 1
1 603 . 17 1 1 A 68 68 LEU CA C 68 57.878 58.019 -0.141 1
1 604 . 17 1 1 A 68 68 LEU CB C 68 40.821 41.782 -0.961 1
1 608 . 17 1 1 A 68 68 LEU N N 68 119.980 119.227 0.753 1
1 609 . 17 1 1 A 69 69 ALA H H 69 8.577 8.706 -0.129 1
1 610 . 17 1 1 A 69 69 ALA HA H 69 4.375 4.275 0.100 1
1 614 . 17 1 1 A 69 69 ALA CA C 69 55.128 54.926 0.202 1
1 615 . 17 1 1 A 69 69 ALA CB C 69 17.533 18.136 -0.603 1
1 616 . 17 1 1 A 69 69 ALA N N 69 122.731 121.038 1.693 1
1 617 . 17 1 1 A 70 70 GLN H H 70 7.534 8.054 -0.520 1
1 618 . 17 1 1 A 70 70 GLN HA H 70 4.190 4.072 0.118 1
1 625 . 17 1 1 A 70 70 GLN CA C 70 58.623 58.898 -0.275 1
1 626 . 17 1 1 A 70 70 GLN CB C 70 28.349 28.241 0.108 1
1 628 . 17 1 1 A 70 70 GLN N N 70 120.846 118.105 2.741 1
1 630 . 17 1 1 A 71 71 ILE H H 71 8.170 7.804 0.366 1
1 631 . 17 1 1 A 71 71 ILE HA H 71 3.455 3.757 -0.302 1
1 641 . 17 1 1 A 71 71 ILE CA C 71 66.530 64.730 1.800 1
1 642 . 17 1 1 A 71 71 ILE CB C 71 37.768 36.874 0.894 1
1 646 . 17 1 1 A 71 71 ILE N N 71 120.351 119.793 0.558 1
1 647 . 17 1 1 A 72 72 TRP H H 72 8.473 8.073 0.400 1
1 648 . 17 1 1 A 72 72 TRP HA H 72 3.845 4.362 -0.517 1
1 657 . 17 1 1 A 72 72 TRP CA C 72 61.144 61.312 -0.168 1
1 658 . 17 1 1 A 72 72 TRP CB C 72 28.496 29.386 -0.890 1
1 664 . 17 1 1 A 72 72 TRP N N 72 119.417 122.023 -2.606 1
1 666 . 17 1 1 A 73 73 ALA H H 73 7.647 8.445 -0.798 1
1 667 . 17 1 1 A 73 73 ALA HA H 73 4.012 3.943 0.069 1
1 671 . 17 1 1 A 73 73 ALA CA C 73 54.154 54.740 -0.586 1
1 672 . 17 1 1 A 73 73 ALA CB C 73 18.059 18.084 -0.025 1
1 673 . 17 1 1 A 73 73 ALA N N 73 116.148 121.418 -5.270 1
1 674 . 17 1 1 A 74 74 LEU H H 74 7.493 7.913 -0.420 1
1 675 . 17 1 1 A 74 74 LEU HA H 74 3.947 4.066 -0.119 1
1 685 . 17 1 1 A 74 74 LEU CA C 74 56.478 58.023 -1.545 1
1 686 . 17 1 1 A 74 74 LEU CB C 74 43.726 41.023 2.703 1
1 690 . 17 1 1 A 74 74 LEU N N 74 115.647 119.683 -4.036 1
1 691 . 17 1 1 A 75 75 ALA H H 75 7.952 8.064 -0.112 1
1 692 . 17 1 1 A 75 75 ALA HA H 75 4.019 4.107 -0.088 1
1 696 . 17 1 1 A 75 75 ALA CA C 75 53.982 55.443 -1.461 1
1 697 . 17 1 1 A 75 75 ALA CB C 75 19.913 19.166 0.747 1
1 698 . 17 1 1 A 75 75 ALA N N 75 118.000 121.423 -3.423 1
1 699 . 17 1 1 A 76 76 ASP H H 76 7.798 7.751 0.047 1
1 700 . 17 1 1 A 76 76 ASP HA H 76 4.587 4.666 -0.079 1
1 703 . 17 1 1 A 76 76 ASP CA C 76 51.849 53.567 -1.718 1
1 704 . 17 1 1 A 76 76 ASP CB C 76 36.265 39.776 -3.511 1
1 705 . 17 1 1 A 76 76 ASP N N 76 114.297 115.616 -1.319 1
1 706 . 17 1 1 A 77 77 MET H H 77 8.077 8.210 -0.133 1
1 707 . 17 1 1 A 77 77 MET HA H 77 3.867 4.124 -0.257 1
1 715 . 17 1 1 A 77 77 MET CA C 77 59.024 58.432 0.592 1
1 716 . 17 1 1 A 77 77 MET CB C 77 34.550 31.759 2.791 1
1 719 . 17 1 1 A 77 77 MET N N 77 123.959 124.363 -0.404 1
1 720 . 17 1 1 A 78 78 ASN H H 78 7.801 7.896 -0.095 1
1 721 . 17 1 1 A 78 78 ASN HA H 78 4.839 4.651 0.188 1
1 726 . 17 1 1 A 78 78 ASN CA C 78 50.889 52.745 -1.856 1
1 727 . 17 1 1 A 78 78 ASN CB C 78 37.028 38.367 -1.339 1
1 728 . 17 1 1 A 78 78 ASN N N 78 112.247 114.356 -2.109 1
1 730 . 17 1 1 A 79 79 ASN H H 79 8.019 8.127 -0.108 1
1 731 . 17 1 1 A 79 79 ASN HA H 79 4.380 5.334 -0.954 1
1 736 . 17 1 1 A 79 79 ASN CA C 79 54.319 53.900 0.419 1
1 737 . 17 1 1 A 79 79 ASN CB C 79 37.867 36.744 1.123 1
1 738 . 17 1 1 A 79 79 ASN N N 79 116.050 117.307 -1.257 1
1 740 . 17 1 1 A 80 80 ASP H H 80 8.019 8.329 -0.310 1
1 741 . 17 1 1 A 80 80 ASP HA H 80 4.784 4.683 0.101 1
1 744 . 17 1 1 A 80 80 ASP CA C 80 52.672 53.903 -1.231 1
1 745 . 17 1 1 A 80 80 ASP CB C 80 41.585 42.072 -0.487 1
1 746 . 17 1 1 A 80 80 ASP N N 80 115.620 119.412 -3.792 1
1 747 . 17 1 1 A 81 81 GLY H H 81 10.345 8.037 2.308 1
1 748 . 17 1 1 A 81 81 GLY HA2 H 81 4.339 4.147 0.192 1
1 749 . 17 1 1 A 81 81 GLY HA3 H 81 4.044 4.346 -0.302 1
1 750 . 17 1 1 A 81 81 GLY CA C 81 46.560 45.601 0.959 1
1 751 . 17 1 1 A 81 81 GLY N N 81 112.191 107.908 4.283 1
1 752 . 17 1 1 A 82 82 ARG H H 82 8.365 8.396 -0.031 1
1 753 . 17 1 1 A 82 82 ARG HA H 82 5.105 4.603 0.502 1
1 760 . 17 1 1 A 82 82 ARG CA C 82 53.982 55.896 -1.914 1
1 761 . 17 1 1 A 82 82 ARG CB C 82 33.303 32.616 0.687 1
1 764 . 17 1 1 A 82 82 ARG N N 82 117.518 118.569 -1.051 1
1 765 . 17 1 1 A 83 83 MET H H 83 9.038 8.027 1.011 1
1 766 . 17 1 1 A 83 83 MET HA H 83 6.142 4.260 1.882 1
1 774 . 17 1 1 A 83 83 MET CA C 83 55.586 56.360 -0.774 1
1 775 . 17 1 1 A 83 83 MET CB C 83 38.610 31.451 7.159 1
1 778 . 17 1 1 A 83 83 MET N N 83 120.510 119.027 1.483 1
1 779 . 17 1 1 A 84 84 ASP H H 84 7.586 8.285 -0.699 1
1 780 . 17 1 1 A 84 84 ASP HA H 84 5.259 4.710 0.549 1
1 783 . 17 1 1 A 84 84 ASP CA C 84 51.182 53.874 -2.692 1
1 784 . 17 1 1 A 84 84 ASP CB C 84 42.047 42.343 -0.296 1
1 785 . 17 1 1 A 84 84 ASP N N 84 122.321 126.336 -4.015 1
1 786 . 17 1 1 A 85 85 GLN H H 85 7.988 8.824 -0.836 1
1 787 . 17 1 1 A 85 85 GLN HA H 85 2.609 3.889 -1.280 1
1 794 . 17 1 1 A 85 85 GLN CA C 85 58.909 58.761 0.148 1
1 795 . 17 1 1 A 85 85 GLN CB C 85 29.346 28.144 1.202 1
1 797 . 17 1 1 A 85 85 GLN N N 85 115.617 123.670 -8.053 1
1 799 . 17 1 1 A 86 86 VAL H H 86 7.357 8.137 -0.780 1
1 800 . 17 1 1 A 86 86 VAL HA H 86 3.557 3.815 -0.258 1
1 808 . 17 1 1 A 86 86 VAL CA C 86 66.117 64.600 1.517 1
1 809 . 17 1 1 A 86 86 VAL CB C 86 31.538 31.405 0.133 1
1 812 . 17 1 1 A 86 86 VAL N N 86 120.551 119.521 1.030 1
1 813 . 17 1 1 A 87 87 GLU H H 87 8.375 8.274 0.101 1
1 814 . 17 1 1 A 87 87 GLU HA H 87 3.908 4.060 -0.152 1
1 819 . 17 1 1 A 87 87 GLU CA C 87 59.424 59.538 -0.114 1
1 820 . 17 1 1 A 87 87 GLU CB C 87 31.466 29.329 2.137 1
1 822 . 17 1 1 A 87 87 GLU N N 87 119.417 122.197 -2.780 1
1 823 . 17 1 1 A 88 88 PHE H H 88 8.482 8.881 -0.399 1
1 824 . 17 1 1 A 88 88 PHE HA H 88 4.427 4.244 0.183 1
1 828 . 17 1 1 A 88 88 PHE CA C 88 62.061 61.368 0.693 1
1 829 . 17 1 1 A 88 88 PHE CB C 88 40.726 39.329 1.397 1
1 831 . 17 1 1 A 88 88 PHE N N 88 117.094 122.189 -5.095 1
1 832 . 17 1 1 A 89 89 SER H H 89 7.490 7.978 -0.488 1
1 833 . 17 1 1 A 89 89 SER HA H 89 4.763 4.041 0.722 1
1 836 . 17 1 1 A 89 89 SER CA C 89 59.783 62.030 -2.247 1
1 837 . 17 1 1 A 89 89 SER CB C 89 59.544 62.697 -3.153 1
1 838 . 17 1 1 A 89 89 SER N N 89 113.424 115.268 -1.844 1
1 839 . 17 1 1 A 90 90 ILE H H 90 8.034 7.801 0.233 1
1 840 . 17 1 1 A 90 90 ILE HA H 90 3.506 3.936 -0.430 1
1 850 . 17 1 1 A 90 90 ILE CA C 90 66.098 63.434 2.664 1
1 851 . 17 1 1 A 90 90 ILE CB C 90 37.905 37.944 -0.039 1
1 855 . 17 1 1 A 90 90 ILE N N 90 118.472 120.803 -2.331 1
1 856 . 17 1 1 A 91 91 ALA H H 91 8.197 7.912 0.285 1
1 857 . 17 1 1 A 91 91 ALA HA H 91 4.286 4.062 0.224 1
1 861 . 17 1 1 A 91 91 ALA CA C 91 52.435 55.220 -2.785 1
1 862 . 17 1 1 A 91 91 ALA CB C 91 19.091 18.112 0.979 1
1 863 . 17 1 1 A 91 91 ALA N N 91 119.275 124.005 -4.730 1
1 864 . 17 1 1 A 92 92 MET H H 92 8.183 7.807 0.376 1
1 865 . 17 1 1 A 92 92 MET HA H 92 4.268 4.014 0.254 1
1 870 . 17 1 1 A 92 92 MET CA C 92 55.643 57.557 -1.914 1
1 871 . 17 1 1 A 92 92 MET CB C 92 29.521 31.868 -2.347 1
1 873 . 17 1 1 A 92 92 MET N N 92 118.681 115.831 2.850 1
1 874 . 17 1 1 A 93 93 LYS H H 93 8.172 7.943 0.229 1
1 875 . 17 1 1 A 93 93 LYS HA H 93 4.006 4.148 -0.142 1
1 878 . 17 1 1 A 93 93 LYS CA C 93 56.840 58.181 -1.341 1
1 879 . 17 1 1 A 93 93 LYS CB C 93 32.830 33.272 -0.442 1
1 880 . 17 1 1 A 93 93 LYS N N 93 120.362 119.367 0.995 1
1 881 . 17 1 1 A 94 94 LEU H H 94 8.017 7.492 0.525 1
1 882 . 17 1 1 A 94 94 LEU HA H 94 3.884 3.972 -0.088 1
1 892 . 17 1 1 A 94 94 LEU CA C 94 58.234 57.954 0.280 1
1 893 . 17 1 1 A 94 94 LEU CB C 94 42.050 41.656 0.394 1
1 897 . 17 1 1 A 94 94 LEU N N 94 114.192 120.403 -6.211 1
1 898 . 17 1 1 A 95 95 ILE H H 95 8.377 8.125 0.252 1
1 899 . 17 1 1 A 95 95 ILE HA H 95 3.254 3.438 -0.184 1
1 909 . 17 1 1 A 95 95 ILE CA C 95 66.013 66.201 -0.188 1
1 910 . 17 1 1 A 95 95 ILE CB C 95 38.284 38.307 -0.023 1
1 914 . 17 1 1 A 95 95 ILE N N 95 118.949 119.844 -0.895 1
1 915 . 17 1 1 A 96 96 LYS H H 96 7.751 7.963 -0.212 1
1 916 . 17 1 1 A 96 96 LYS HA H 96 3.928 4.006 -0.078 1
1 925 . 17 1 1 A 96 96 LYS CA C 96 59.701 59.765 -0.064 1
1 926 . 17 1 1 A 96 96 LYS CB C 96 32.286 32.277 0.009 1
1 930 . 17 1 1 A 96 96 LYS N N 96 119.637 119.415 0.222 1
1 931 . 17 1 1 A 97 97 LEU H H 97 8.382 8.262 0.120 1
1 932 . 17 1 1 A 97 97 LEU HA H 97 4.006 4.143 -0.137 1
1 942 . 17 1 1 A 97 97 LEU CA C 97 57.363 57.779 -0.416 1
1 943 . 17 1 1 A 97 97 LEU CB C 97 40.459 41.780 -1.321 1
1 947 . 17 1 1 A 97 97 LEU N N 97 117.727 121.465 -3.738 1
1 948 . 17 1 1 A 98 98 LYS H H 98 8.761 8.136 0.625 1
1 949 . 17 1 1 A 98 98 LYS HA H 98 4.548 4.087 0.461 1
1 958 . 17 1 1 A 98 98 LYS CA C 98 57.477 59.262 -1.785 1
1 959 . 17 1 1 A 98 98 LYS CB C 98 31.294 32.121 -0.827 1
1 963 . 17 1 1 A 98 98 LYS N N 98 122.255 119.095 3.160 1
1 964 . 17 1 1 A 99 99 LEU H H 99 8.798 8.249 0.549 1
1 965 . 17 1 1 A 99 99 LEU HA H 99 4.100 4.010 0.090 1
1 975 . 17 1 1 A 99 99 LEU CA C 99 57.878 57.525 0.353 1
1 976 . 17 1 1 A 99 99 LEU CB C 99 41.605 40.883 0.722 1
1 980 . 17 1 1 A 99 99 LEU N N 99 122.214 119.082 3.132 1
1 981 . 17 1 1 A 100 100 GLN H H 100 7.749 7.780 -0.031 1
1 982 . 17 1 1 A 100 100 GLN HA H 100 4.285 4.325 -0.040 1
1 989 . 17 1 1 A 100 100 GLN CA C 100 56.503 55.609 0.894 1
1 990 . 17 1 1 A 100 100 GLN CB C 100 29.576 29.082 0.494 1
1 992 . 17 1 1 A 100 100 GLN N N 100 116.914 116.450 0.464 1
1 993 . 17 1 1 A 101 101 GLY H H 101 7.910 7.796 0.114 1
1 994 . 17 1 1 A 101 101 GLY HA2 H 101 4.262 3.761 0.501 1
1 995 . 17 1 1 A 101 101 GLY HA3 H 101 3.661 3.842 -0.181 1
1 996 . 17 1 1 A 101 101 GLY CA C 101 44.884 45.452 -0.568 1
1 997 . 17 1 1 A 101 101 GLY N N 101 106.044 107.891 -1.847 1
1 998 . 17 1 1 A 102 102 TYR H H 102 8.078 7.655 0.423 1
1 999 . 17 1 1 A 102 102 TYR HA H 102 4.311 4.599 -0.288 1
1 1006 . 17 1 1 A 102 102 TYR CA C 102 59.253 58.267 0.986 1
1 1007 . 17 1 1 A 102 102 TYR CB C 102 37.849 39.508 -1.659 1
1 1010 . 17 1 1 A 102 102 TYR N N 102 120.876 119.472 1.404 1
1 1011 . 17 1 1 A 103 103 GLN H H 103 8.610 8.883 -0.273 1
1 1012 . 17 1 1 A 103 103 GLN HA H 103 4.280 4.869 -0.589 1
1 1015 . 17 1 1 A 103 103 GLN CA C 103 56.620 55.788 0.832 1
1 1016 . 17 1 1 A 103 103 GLN CB C 103 29.100 29.870 -0.770 1
1 1017 . 17 1 1 A 103 103 GLN N N 103 119.785 123.393 -3.608 1
1 1018 . 17 1 1 A 105 105 PRO HA H 105 4.631 4.752 -0.121 1
1 1025 . 17 1 1 A 105 105 PRO CA C 105 61.602 62.161 -0.559 1
1 1026 . 17 1 1 A 105 105 PRO CB C 105 31.690 33.456 -1.766 1
1 1029 . 17 1 1 A 106 106 SER H H 106 8.485 8.532 -0.047 1
1 1030 . 17 1 1 A 106 106 SER HA H 106 4.183 4.187 -0.004 1
1 1033 . 17 1 1 A 106 106 SER CA C 106 59.525 59.113 0.412 1
1 1034 . 17 1 1 A 106 106 SER CB C 106 63.078 63.028 0.050 1
1 1035 . 17 1 1 A 106 106 SER N N 106 112.361 113.676 -1.315 1
1 1036 . 17 1 1 A 107 107 ALA H H 107 7.410 7.483 -0.073 1
1 1037 . 17 1 1 A 107 107 ALA HA H 107 4.308 4.521 -0.213 1
1 1041 . 17 1 1 A 107 107 ALA CA C 107 50.086 50.852 -0.766 1
1 1042 . 17 1 1 A 107 107 ALA CB C 107 21.253 19.823 1.430 1
1 1043 . 17 1 1 A 107 107 ALA N N 107 121.311 124.527 -3.216 1
1 1044 . 17 1 1 A 108 108 LEU H H 108 8.915 8.833 0.082 1
1 1045 . 17 1 1 A 108 108 LEU HA H 108 4.020 4.551 -0.531 1
1 1055 . 17 1 1 A 108 108 LEU CA C 108 52.990 53.696 -0.706 1
1 1056 . 17 1 1 A 108 108 LEU CB C 108 42.041 41.457 0.584 1
1 1060 . 17 1 1 A 108 108 LEU N N 108 122.607 124.799 -2.192 1
1 1061 . 17 1 1 A 110 110 PRO HA H 110 4.024 4.155 -0.131 1
1 1068 . 17 1 1 A 110 110 PRO CA C 110 65.440 65.716 -0.276 1
1 1069 . 17 1 1 A 110 110 PRO CB C 110 31.638 31.755 -0.117 1
1 1072 . 17 1 1 A 111 111 VAL H H 111 8.118 7.723 0.395 1
1 1073 . 17 1 1 A 111 111 VAL HA H 111 3.986 3.959 0.027 1
1 1081 . 17 1 1 A 111 111 VAL CA C 111 63.779 64.136 -0.357 1
1 1082 . 17 1 1 A 111 111 VAL CB C 111 31.065 31.625 -0.560 1
1 1085 . 17 1 1 A 111 111 VAL N N 111 115.605 116.066 -0.461 1
1 1086 . 17 1 1 A 112 112 MET H H 112 7.908 7.601 0.307 1
1 1087 . 17 1 1 A 112 112 MET HA H 112 4.160 4.476 -0.316 1
1 1095 . 17 1 1 A 112 112 MET CA C 112 59.098 58.086 1.012 1
1 1096 . 17 1 1 A 112 112 MET CB C 112 34.024 32.776 1.248 1
1 1099 . 17 1 1 A 112 112 MET N N 112 118.943 120.144 -1.201 1
1 1100 . 17 1 1 A 113 113 LYS H H 113 7.330 7.790 -0.460 1
1 1101 . 17 1 1 A 113 113 LYS HA H 113 4.182 4.103 0.079 1
1 1110 . 17 1 1 A 113 113 LYS CA C 113 55.987 58.990 -3.003 1
1 1111 . 17 1 1 A 113 113 LYS CB C 113 32.841 32.472 0.369 1
1 1115 . 17 1 1 A 113 113 LYS N N 113 112.617 117.775 -5.158 1
1 1116 . 17 1 1 A 114 114 GLN H H 114 7.114 7.914 -0.800 1
1 1117 . 17 1 1 A 114 114 GLN HA H 114 4.309 4.177 0.132 1
1 1124 . 17 1 1 A 114 114 GLN CA C 114 54.956 57.843 -2.887 1
1 1125 . 17 1 1 A 114 114 GLN CB C 114 29.241 27.311 1.930 1
1 1127 . 17 1 1 A 114 114 GLN N N 114 117.852 115.998 1.854 1
1 1129 . 17 1 1 A 115 115 GLN H H 115 8.556 8.752 -0.196 1
1 1130 . 17 1 1 A 115 115 GLN HA H 115 4.501 4.406 0.095 1
1 1137 . 17 1 1 A 115 115 GLN CA C 115 53.858 55.569 -1.711 1
1 1138 . 17 1 1 A 115 115 GLN CB C 115 28.234 28.065 0.169 1
1 1140 . 17 1 1 A 115 115 GLN N N 115 123.195 120.164 3.031 1
1 1142 . 17 1 1 A 116 116 PRO HA H 116 4.530 4.669 -0.139 1
1 1149 . 17 1 1 A 116 116 PRO CA C 116 63.050 62.464 0.586 1
1 1150 . 17 1 1 A 116 116 PRO CB C 116 31.953 32.434 -0.481 1
1 1153 . 17 1 1 A 117 117 VAL H H 117 8.345 8.300 0.045 1
1 1154 . 17 1 1 A 117 117 VAL HA H 117 4.167 4.455 -0.288 1
1 1162 . 17 1 1 A 117 117 VAL CA C 117 61.258 59.871 1.387 1
1 1163 . 17 1 1 A 117 117 VAL CB C 117 33.724 34.574 -0.850 1
1 1166 . 17 1 1 A 117 117 VAL N N 117 120.361 116.780 3.581 1
1 1167 . 17 1 1 A 118 118 ALA H H 118 8.470 8.429 0.041 1
1 1168 . 17 1 1 A 118 118 ALA HA H 118 4.452 3.921 0.531 1
1 1172 . 17 1 1 A 118 118 ALA CA C 118 51.678 52.583 -0.905 1
1 1173 . 17 1 1 A 118 118 ALA CB C 118 19.260 17.728 1.532 1
1 1174 . 17 1 1 A 118 118 ALA N N 118 128.412 122.471 5.941 1
1 1175 . 17 1 1 A 119 119 ILE H H 119 8.250 8.307 -0.057 1
1 1176 . 17 1 1 A 119 119 ILE HA H 119 4.240 4.603 -0.363 1
1 1186 . 17 1 1 A 119 119 ILE CA C 119 60.743 60.384 0.359 1
1 1187 . 17 1 1 A 119 119 ILE CB C 119 38.914 38.038 0.876 1
1 1191 . 17 1 1 A 119 119 ILE N N 119 120.929 121.476 -0.547 1
1 1192 . 17 1 1 A 120 120 SER H H 120 8.413 8.760 -0.347 1
1 1193 . 17 1 1 A 120 120 SER HA H 120 4.543 5.066 -0.523 1
1 1196 . 17 1 1 A 120 120 SER CA C 120 57.878 57.562 0.316 1
1 1197 . 17 1 1 A 120 120 SER CB C 120 63.951 67.335 -3.384 1
1 1198 . 17 1 1 A 120 120 SER N N 120 120.494 123.029 -2.535 1
1 1 . 18 1 1 A 12 12 ALA H H 12 8.223 8.938 -0.715 1
1 2 . 18 1 1 A 12 12 ALA HA H 12 4.220 5.325 -1.105 1
1 6 . 18 1 1 A 12 12 ALA CA C 12 52.323 50.524 1.799 1
1 7 . 18 1 1 A 12 12 ALA CB C 12 19.015 21.697 -2.682 1
1 8 . 18 1 1 A 12 12 ALA N N 12 124.624 129.215 -4.591 1
1 9 . 18 1 1 A 13 13 GLN H H 13 8.220 8.649 -0.429 1
1 10 . 18 1 1 A 13 13 GLN HA H 13 4.292 4.802 -0.510 1
1 13 . 18 1 1 A 13 13 GLN CA C 13 55.457 55.793 -0.336 1
1 14 . 18 1 1 A 13 13 GLN CB C 13 29.804 31.250 -1.446 1
1 15 . 18 1 1 A 13 13 GLN N N 13 119.119 122.410 -3.291 1
1 16 . 18 1 1 A 14 14 PHE H H 14 8.109 9.021 -0.912 1
1 17 . 18 1 1 A 14 14 PHE HA H 14 4.559 5.270 -0.711 1
1 20 . 18 1 1 A 14 14 PHE CA C 14 58.250 55.299 2.951 1
1 21 . 18 1 1 A 14 14 PHE CB C 14 39.950 42.571 -2.621 1
1 22 . 18 1 1 A 14 14 PHE N N 14 121.712 128.572 -6.860 1
1 23 . 18 1 1 A 15 15 PRO HA H 15 4.492 4.876 -0.384 1
1 30 . 18 1 1 A 15 15 PRO CA C 15 63.047 62.099 0.948 1
1 31 . 18 1 1 A 15 15 PRO CB C 15 31.810 32.352 -0.542 1
1 34 . 18 1 1 A 16 16 THR H H 16 8.197 8.398 -0.201 1
1 35 . 18 1 1 A 16 16 THR HA H 16 4.614 5.069 -0.455 1
1 40 . 18 1 1 A 16 16 THR CA C 16 59.526 58.865 0.661 1
1 41 . 18 1 1 A 16 16 THR CB C 16 69.603 69.496 0.107 1
1 43 . 18 1 1 A 16 16 THR N N 16 115.700 111.986 3.714 1
1 44 . 18 1 1 A 17 17 PRO HA H 17 4.360 4.800 -0.440 1
1 51 . 18 1 1 A 17 17 PRO CA C 17 63.321 62.428 0.893 1
1 52 . 18 1 1 A 17 17 PRO CB C 17 31.680 33.008 -1.328 1
1 55 . 18 1 1 A 18 18 PHE H H 18 8.212 8.484 -0.272 1
1 56 . 18 1 1 A 18 18 PHE HA H 18 4.589 5.276 -0.687 1
1 64 . 18 1 1 A 18 18 PHE CA C 18 57.648 56.149 1.499 1
1 65 . 18 1 1 A 18 18 PHE CB C 18 39.165 41.976 -2.811 1
1 69 . 18 1 1 A 18 18 PHE N N 18 119.185 116.850 2.335 1
1 70 . 18 1 1 A 19 19 GLY H H 19 8.250 8.362 -0.112 1
1 71 . 18 1 1 A 19 19 GLY HA2 H 19 3.943 4.309 -0.366 1
1 72 . 18 1 1 A 19 19 GLY HA3 H 19 3.935 4.343 -0.408 1
1 73 . 18 1 1 A 19 19 GLY CA C 19 45.100 45.786 -0.686 1
1 74 . 18 1 1 A 19 19 GLY N N 19 110.566 106.039 4.527 1
1 75 . 18 1 1 A 20 20 GLY H H 20 7.873 8.540 -0.667 1
1 76 . 18 1 1 A 20 20 GLY HA2 H 20 3.964 4.102 -0.138 1
1 77 . 18 1 1 A 20 20 GLY HA3 H 20 3.955 4.117 -0.162 1
1 78 . 18 1 1 A 20 20 GLY CA C 20 45.056 45.307 -0.251 1
1 79 . 18 1 1 A 20 20 GLY N N 20 108.171 108.689 -0.518 1
1 80 . 18 1 1 A 21 21 SER H H 21 8.274 8.819 -0.545 1
1 81 . 18 1 1 A 21 21 SER HA H 21 4.523 4.106 0.417 1
1 84 . 18 1 1 A 21 21 SER CA C 21 57.951 59.993 -2.042 1
1 85 . 18 1 1 A 21 21 SER CB C 21 63.946 61.681 2.265 1
1 86 . 18 1 1 A 21 21 SER N N 21 115.180 113.806 1.374 1
1 87 . 18 1 1 A 22 22 LEU H H 22 8.435 7.753 0.682 1
1 88 . 18 1 1 A 22 22 LEU HA H 22 4.302 4.562 -0.260 1
1 98 . 18 1 1 A 22 22 LEU CA C 22 55.846 53.111 2.735 1
1 99 . 18 1 1 A 22 22 LEU CB C 22 42.229 44.540 -2.311 1
1 103 . 18 1 1 A 22 22 LEU N N 22 123.998 120.174 3.824 1
1 104 . 18 1 1 A 23 23 ASP H H 23 8.291 8.800 -0.509 1
1 105 . 18 1 1 A 23 23 ASP HA H 23 4.494 4.291 0.203 1
1 108 . 18 1 1 A 23 23 ASP CA C 23 54.981 55.432 -0.451 1
1 109 . 18 1 1 A 23 23 ASP CB C 23 41.190 38.774 2.416 1
1 110 . 18 1 1 A 23 23 ASP N N 23 120.385 120.712 -0.327 1
1 111 . 18 1 1 A 24 24 THR H H 24 8.010 7.761 0.249 1
1 112 . 18 1 1 A 24 24 THR HA H 24 3.770 3.873 -0.103 1
1 117 . 18 1 1 A 24 24 THR CA C 24 64.590 66.241 -1.651 1
1 118 . 18 1 1 A 24 24 THR CB C 24 69.620 68.413 1.207 1
1 120 . 18 1 1 A 24 24 THR N N 24 117.799 111.080 6.719 1
1 121 . 18 1 1 A 25 25 TRP H H 25 7.780 7.642 0.138 1
1 122 . 18 1 1 A 25 25 TRP HA H 25 4.012 4.519 -0.507 1
1 131 . 18 1 1 A 25 25 TRP CA C 25 57.837 58.419 -0.582 1
1 132 . 18 1 1 A 25 25 TRP CB C 25 28.842 30.038 -1.196 1
1 138 . 18 1 1 A 25 25 TRP N N 25 118.659 118.106 0.553 1
1 140 . 18 1 1 A 26 26 ALA H H 26 7.101 7.485 -0.384 1
1 141 . 18 1 1 A 26 26 ALA HA H 26 3.949 4.327 -0.378 1
1 145 . 18 1 1 A 26 26 ALA CA C 26 52.102 52.909 -0.807 1
1 146 . 18 1 1 A 26 26 ALA CB C 26 18.840 19.355 -0.515 1
1 147 . 18 1 1 A 26 26 ALA N N 26 117.054 121.691 -4.637 1
1 148 . 18 1 1 A 27 27 ILE H H 27 8.687 8.849 -0.162 1
1 149 . 18 1 1 A 27 27 ILE HA H 27 4.332 4.465 -0.133 1
1 159 . 18 1 1 A 27 27 ILE CA C 27 61.430 60.644 0.786 1
1 160 . 18 1 1 A 27 27 ILE CB C 27 38.550 37.304 1.246 1
1 164 . 18 1 1 A 27 27 ILE N N 27 125.107 122.632 2.475 1
1 165 . 18 1 1 A 28 28 THR H H 28 8.981 8.490 0.491 1
1 166 . 18 1 1 A 28 28 THR HA H 28 4.760 4.620 0.140 1
1 171 . 18 1 1 A 28 28 THR CA C 28 60.685 61.609 -0.924 1
1 172 . 18 1 1 A 28 28 THR CB C 28 71.252 69.741 1.511 1
1 174 . 18 1 1 A 28 28 THR N N 28 118.938 122.379 -3.441 1
1 175 . 18 1 1 A 29 29 VAL H H 29 8.612 8.824 -0.212 1
1 176 . 18 1 1 A 29 29 VAL HA H 29 3.532 3.620 -0.088 1
1 184 . 18 1 1 A 29 29 VAL CA C 29 66.349 66.763 -0.414 1
1 185 . 18 1 1 A 29 29 VAL CB C 29 31.799 31.414 0.385 1
1 188 . 18 1 1 A 29 29 VAL N N 29 119.411 123.045 -3.634 1
1 189 . 18 1 1 A 30 30 GLU H H 30 8.432 8.334 0.098 1
1 190 . 18 1 1 A 30 30 GLU HA H 30 4.011 3.953 0.058 1
1 195 . 18 1 1 A 30 30 GLU CA C 30 59.597 59.568 0.029 1
1 196 . 18 1 1 A 30 30 GLU CB C 30 28.912 29.367 -0.455 1
1 198 . 18 1 1 A 30 30 GLU N N 30 119.890 119.033 0.857 1
1 199 . 18 1 1 A 31 31 GLU H H 31 7.737 8.080 -0.343 1
1 200 . 18 1 1 A 31 31 GLU HA H 31 3.604 4.131 -0.527 1
1 205 . 18 1 1 A 31 31 GLU CA C 31 58.718 58.897 -0.179 1
1 206 . 18 1 1 A 31 31 GLU CB C 31 30.666 29.189 1.477 1
1 208 . 18 1 1 A 31 31 GLU N N 31 120.821 120.170 0.651 1
1 209 . 18 1 1 A 32 32 ARG H H 32 8.382 8.143 0.239 1
1 210 . 18 1 1 A 32 32 ARG HA H 32 3.998 3.994 0.004 1
1 213 . 18 1 1 A 32 32 ARG CA C 32 57.356 59.114 -1.758 1
1 214 . 18 1 1 A 32 32 ARG CB C 32 28.870 29.837 -0.967 1
1 215 . 18 1 1 A 32 32 ARG N N 32 117.523 120.822 -3.299 1
1 216 . 18 1 1 A 33 33 ALA H H 33 7.919 8.627 -0.708 1
1 217 . 18 1 1 A 33 33 ALA HA H 33 4.248 3.795 0.453 1
1 221 . 18 1 1 A 33 33 ALA CA C 33 55.007 54.351 0.656 1
1 222 . 18 1 1 A 33 33 ALA CB C 33 17.601 18.392 -0.791 1
1 223 . 18 1 1 A 33 33 ALA N N 33 119.982 120.318 -0.336 1
1 224 . 18 1 1 A 34 34 LYS H H 34 7.212 7.638 -0.426 1
1 225 . 18 1 1 A 34 34 LYS HA H 34 4.194 4.051 0.143 1
1 234 . 18 1 1 A 34 34 LYS CA C 34 58.852 59.283 -0.431 1
1 235 . 18 1 1 A 34 34 LYS CB C 34 31.598 32.200 -0.602 1
1 239 . 18 1 1 A 34 34 LYS N N 34 119.567 119.069 0.498 1
1 240 . 18 1 1 A 35 35 HIS H H 35 8.814 7.819 0.995 1
1 241 . 18 1 1 A 35 35 HIS HA H 35 4.923 4.310 0.613 1
1 244 . 18 1 1 A 35 35 HIS CA C 35 57.821 58.964 -1.143 1
1 245 . 18 1 1 A 35 35 HIS CB C 35 29.950 28.692 1.258 1
1 246 . 18 1 1 A 35 35 HIS N N 35 122.252 117.209 5.043 1
1 247 . 18 1 1 A 36 36 ASP H H 36 9.292 8.202 1.090 1
1 248 . 18 1 1 A 36 36 ASP HA H 36 4.454 4.242 0.212 1
1 251 . 18 1 1 A 36 36 ASP CA C 36 57.305 57.328 -0.023 1
1 252 . 18 1 1 A 36 36 ASP CB C 36 39.889 41.684 -1.795 1
1 253 . 18 1 1 A 36 36 ASP N N 36 118.831 122.193 -3.362 1
1 254 . 18 1 1 A 37 37 GLN H H 37 7.673 8.023 -0.350 1
1 255 . 18 1 1 A 37 37 GLN HA H 37 4.241 4.086 0.155 1
1 262 . 18 1 1 A 37 37 GLN CA C 37 59.019 59.434 -0.415 1
1 263 . 18 1 1 A 37 37 GLN CB C 37 28.315 28.555 -0.240 1
1 265 . 18 1 1 A 37 37 GLN N N 37 120.072 119.003 1.069 1
1 266 . 18 1 1 A 38 38 GLN H H 38 8.329 8.283 0.046 1
1 267 . 18 1 1 A 38 38 GLN HA H 38 4.040 4.205 -0.165 1
1 274 . 18 1 1 A 38 38 GLN CA C 38 58.734 59.009 -0.275 1
1 275 . 18 1 1 A 38 38 GLN CB C 38 28.549 28.530 0.019 1
1 277 . 18 1 1 A 38 38 GLN N N 38 120.847 118.935 1.912 1
1 279 . 18 1 1 A 39 39 PHE H H 39 9.453 8.527 0.926 1
1 280 . 18 1 1 A 39 39 PHE HA H 39 2.811 4.143 -1.332 1
1 286 . 18 1 1 A 39 39 PHE CA C 39 61.602 61.338 0.264 1
1 287 . 18 1 1 A 39 39 PHE CB C 39 38.799 38.853 -0.054 1
1 291 . 18 1 1 A 39 39 PHE N N 39 123.507 121.478 2.029 1
1 292 . 18 1 1 A 40 40 HIS H H 40 8.096 7.836 0.260 1
1 293 . 18 1 1 A 40 40 HIS HA H 40 3.884 4.019 -0.135 1
1 297 . 18 1 1 A 40 40 HIS CA C 40 59.910 59.466 0.444 1
1 298 . 18 1 1 A 40 40 HIS CB C 40 29.558 30.323 -0.765 1
1 300 . 18 1 1 A 40 40 HIS N N 40 114.319 116.663 -2.344 1
1 301 . 18 1 1 A 41 41 SER H H 41 7.818 8.348 -0.530 1
1 302 . 18 1 1 A 41 41 SER HA H 41 4.300 4.249 0.051 1
1 305 . 18 1 1 A 41 41 SER CA C 41 60.851 60.852 -0.001 1
1 306 . 18 1 1 A 41 41 SER CB C 41 62.612 63.276 -0.664 1
1 307 . 18 1 1 A 41 41 SER N N 41 116.677 115.539 1.138 1
1 308 . 18 1 1 A 42 42 LEU H H 42 7.079 7.529 -0.450 1
1 309 . 18 1 1 A 42 42 LEU HA H 42 4.071 3.337 0.734 1
1 319 . 18 1 1 A 42 42 LEU CA C 42 54.685 56.222 -1.537 1
1 320 . 18 1 1 A 42 42 LEU CB C 42 40.874 42.230 -1.356 1
1 324 . 18 1 1 A 42 42 LEU N N 42 121.868 122.187 -0.319 1
1 325 . 18 1 1 A 43 43 LYS H H 43 7.345 7.788 -0.443 1
1 326 . 18 1 1 A 43 43 LYS HA H 43 3.877 3.813 0.064 1
1 335 . 18 1 1 A 43 43 LYS CA C 43 56.035 56.990 -0.955 1
1 336 . 18 1 1 A 43 43 LYS CB C 43 28.886 30.944 -2.058 1
1 340 . 18 1 1 A 43 43 LYS N N 43 110.393 119.327 -8.934 1
1 341 . 18 1 1 A 44 44 PRO HA H 44 4.239 4.201 0.038 1
1 348 . 18 1 1 A 44 44 PRO CA C 44 62.424 62.432 -0.008 1
1 349 . 18 1 1 A 44 44 PRO CB C 44 32.413 31.970 0.443 1
1 352 . 18 1 1 A 45 45 ILE H H 45 8.586 8.339 0.247 1
1 353 . 18 1 1 A 45 45 ILE HA H 45 4.337 3.755 0.582 1
1 363 . 18 1 1 A 45 45 ILE CA C 45 60.170 63.706 -3.536 1
1 364 . 18 1 1 A 45 45 ILE CB C 45 39.143 38.222 0.921 1
1 368 . 18 1 1 A 45 45 ILE N N 45 120.985 122.621 -1.636 1
1 369 . 18 1 1 A 46 46 SER H H 46 9.512 7.896 1.616 1
1 370 . 18 1 1 A 46 46 SER HA H 46 4.055 4.765 -0.710 1
1 373 . 18 1 1 A 46 46 SER CA C 46 58.483 57.606 0.877 1
1 374 . 18 1 1 A 46 46 SER CB C 46 62.174 65.055 -2.881 1
1 375 . 18 1 1 A 46 46 SER N N 46 124.158 114.494 9.664 1
1 376 . 18 1 1 A 47 47 GLY H H 47 8.555 7.922 0.633 1
1 377 . 18 1 1 A 47 47 GLY HA2 H 47 4.020 4.235 -0.215 1
1 378 . 18 1 1 A 47 47 GLY HA3 H 47 3.531 4.279 -0.748 1
1 379 . 18 1 1 A 47 47 GLY CA C 47 44.328 45.461 -1.133 1
1 380 . 18 1 1 A 47 47 GLY N N 47 162.194 108.753 53.441 1
1 381 . 18 1 1 A 48 48 PHE H H 48 7.710 7.821 -0.111 1
1 382 . 18 1 1 A 48 48 PHE HA H 48 5.783 5.367 0.416 1
1 387 . 18 1 1 A 48 48 PHE CA C 48 56.732 55.394 1.338 1
1 388 . 18 1 1 A 48 48 PHE CB C 48 43.784 42.328 1.456 1
1 391 . 18 1 1 A 48 48 PHE N N 48 115.641 116.717 -1.076 1
1 392 . 18 1 1 A 49 49 ILE H H 49 9.141 8.978 0.163 1
1 393 . 18 1 1 A 49 49 ILE HA H 49 4.908 4.967 -0.059 1
1 403 . 18 1 1 A 49 49 ILE CA C 49 59.368 58.888 0.480 1
1 404 . 18 1 1 A 49 49 ILE CB C 49 39.945 42.523 -2.578 1
1 408 . 18 1 1 A 49 49 ILE N N 49 114.692 115.835 -1.143 1
1 409 . 18 1 1 A 50 50 THR H H 50 8.700 8.209 0.491 1
1 410 . 18 1 1 A 50 50 THR HA H 50 4.473 4.835 -0.362 1
1 415 . 18 1 1 A 50 50 THR CA C 50 60.914 60.245 0.669 1
1 416 . 18 1 1 A 50 50 THR CB C 50 70.829 70.451 0.378 1
1 418 . 18 1 1 A 50 50 THR N N 50 112.658 115.584 -2.926 1
1 419 . 18 1 1 A 51 51 GLY H H 51 8.778 9.090 -0.312 1
1 420 . 18 1 1 A 51 51 GLY HA2 H 51 3.790 3.383 0.407 1
1 421 . 18 1 1 A 51 51 GLY HA3 H 51 3.713 3.551 0.162 1
1 422 . 18 1 1 A 51 51 GLY CA C 51 48.310 47.275 1.035 1
1 423 . 18 1 1 A 51 51 GLY N N 51 108.204 113.667 -5.463 1
1 424 . 18 1 1 A 52 52 ASP H H 52 8.225 8.291 -0.066 1
1 425 . 18 1 1 A 52 52 ASP HA H 52 4.216 4.177 0.039 1
1 428 . 18 1 1 A 52 52 ASP CA C 52 57.344 57.224 0.120 1
1 429 . 18 1 1 A 52 52 ASP CB C 52 40.304 41.446 -1.142 1
1 430 . 18 1 1 A 52 52 ASP N N 52 119.404 121.397 -1.993 1
1 431 . 18 1 1 A 53 53 GLN H H 53 7.810 8.159 -0.349 1
1 432 . 18 1 1 A 53 53 GLN HA H 53 3.969 4.046 -0.077 1
1 439 . 18 1 1 A 53 53 GLN CA C 53 58.673 58.577 0.096 1
1 440 . 18 1 1 A 53 53 GLN CB C 53 29.794 27.885 1.909 1
1 442 . 18 1 1 A 53 53 GLN N N 53 118.935 117.225 1.710 1
1 444 . 18 1 1 A 54 54 ALA H H 54 8.293 8.108 0.185 1
1 445 . 18 1 1 A 54 54 ALA HA H 54 3.642 4.019 -0.377 1
1 449 . 18 1 1 A 54 54 ALA CA C 54 55.243 55.060 0.183 1
1 450 . 18 1 1 A 54 54 ALA CB C 54 19.448 17.915 1.533 1
1 451 . 18 1 1 A 54 54 ALA N N 54 120.858 122.332 -1.474 1
1 452 . 18 1 1 A 55 55 ARG H H 55 8.744 7.987 0.757 1
1 453 . 18 1 1 A 55 55 ARG HA H 55 3.795 3.915 -0.120 1
1 460 . 18 1 1 A 55 55 ARG CA C 55 60.628 59.396 1.232 1
1 461 . 18 1 1 A 55 55 ARG CB C 55 30.224 29.857 0.367 1
1 464 . 18 1 1 A 55 55 ARG N N 55 115.211 118.198 -2.987 1
1 465 . 18 1 1 A 56 56 ASN H H 56 8.056 7.988 0.068 1
1 466 . 18 1 1 A 56 56 ASN HA H 56 4.470 4.585 -0.115 1
1 471 . 18 1 1 A 56 56 ASN CA C 56 56.091 56.282 -0.191 1
1 472 . 18 1 1 A 56 56 ASN CB C 56 38.069 38.859 -0.790 1
1 473 . 18 1 1 A 56 56 ASN N N 56 116.543 118.354 -1.811 1
1 475 . 18 1 1 A 57 57 PHE H H 57 7.567 7.994 -0.427 1
1 476 . 18 1 1 A 57 57 PHE HA H 57 4.517 4.374 0.143 1
1 481 . 18 1 1 A 57 57 PHE CA C 57 61.373 61.456 -0.083 1
1 482 . 18 1 1 A 57 57 PHE CB C 57 39.518 38.824 0.694 1
1 485 . 18 1 1 A 57 57 PHE N N 57 121.111 120.422 0.689 1
1 486 . 18 1 1 A 58 58 PHE H H 58 8.995 9.140 -0.145 1
1 487 . 18 1 1 A 58 58 PHE HA H 58 4.501 4.311 0.190 1
1 491 . 18 1 1 A 58 58 PHE CA C 58 57.190 61.563 -4.373 1
1 492 . 18 1 1 A 58 58 PHE CB C 58 37.236 38.767 -1.531 1
1 494 . 18 1 1 A 58 58 PHE N N 58 119.594 118.155 1.439 1
1 495 . 18 1 1 A 59 59 PHE H H 59 8.510 8.437 0.073 1
1 496 . 18 1 1 A 59 59 PHE HA H 59 4.296 4.178 0.118 1
1 500 . 18 1 1 A 59 59 PHE CA C 59 60.456 61.390 -0.934 1
1 501 . 18 1 1 A 59 59 PHE CB C 59 38.914 39.255 -0.341 1
1 503 . 18 1 1 A 59 59 PHE N N 59 120.834 119.429 1.405 1
1 504 . 18 1 1 A 60 60 GLN H H 60 7.652 8.165 -0.513 1
1 505 . 18 1 1 A 60 60 GLN HA H 60 4.056 4.141 -0.085 1
1 512 . 18 1 1 A 60 60 GLN CA C 60 57.133 57.319 -0.186 1
1 513 . 18 1 1 A 60 60 GLN CB C 60 27.771 28.069 -0.298 1
1 515 . 18 1 1 A 60 60 GLN N N 60 116.464 118.104 -1.640 1
1 517 . 18 1 1 A 61 61 SER H H 61 7.823 7.485 0.338 1
1 518 . 18 1 1 A 61 61 SER HA H 61 3.985 4.319 -0.334 1
1 521 . 18 1 1 A 61 61 SER CA C 61 60.571 59.282 1.289 1
1 522 . 18 1 1 A 61 61 SER CB C 61 65.277 64.544 0.733 1
1 523 . 18 1 1 A 61 61 SER N N 61 113.448 112.645 0.803 1
1 524 . 18 1 1 A 62 62 GLY H H 62 7.478 7.597 -0.119 1
1 525 . 18 1 1 A 62 62 GLY HA2 H 62 4.115 3.885 0.230 1
1 526 . 18 1 1 A 62 62 GLY HA3 H 62 3.699 3.962 -0.263 1
1 527 . 18 1 1 A 62 62 GLY CA C 62 45.445 44.784 0.661 1
1 528 . 18 1 1 A 62 62 GLY N N 62 108.189 110.121 -1.932 1
1 529 . 18 1 1 A 63 63 LEU H H 63 7.282 7.423 -0.141 1
1 530 . 18 1 1 A 63 63 LEU HA H 63 4.471 4.667 -0.196 1
1 540 . 18 1 1 A 63 63 LEU CA C 63 52.971 51.814 1.157 1
1 541 . 18 1 1 A 63 63 LEU CB C 63 41.597 42.455 -0.858 1
1 545 . 18 1 1 A 63 63 LEU N N 63 120.356 121.110 -0.754 1
1 546 . 18 1 1 A 64 64 PRO HA H 64 4.559 4.672 -0.113 1
1 553 . 18 1 1 A 64 64 PRO CA C 64 63.039 62.871 0.168 1
1 554 . 18 1 1 A 64 64 PRO CB C 64 33.402 32.858 0.544 1
1 557 . 18 1 1 A 65 65 GLN H H 65 9.289 8.798 0.491 1
1 558 . 18 1 1 A 65 65 GLN HA H 65 4.194 4.192 0.002 1
1 563 . 18 1 1 A 65 65 GLN CA C 65 61.180 60.349 0.831 1
1 564 . 18 1 1 A 65 65 GLN CB C 65 25.845 28.119 -2.274 1
1 566 . 18 1 1 A 65 65 GLN N N 65 122.729 121.987 0.742 1
1 567 . 18 1 1 A 66 66 PRO HA H 66 4.399 4.412 -0.013 1
1 574 . 18 1 1 A 66 66 PRO CA C 66 65.956 65.681 0.275 1
1 575 . 18 1 1 A 66 66 PRO CB C 66 30.665 31.009 -0.344 1
1 578 . 18 1 1 A 67 67 VAL H H 67 6.875 7.027 -0.152 1
1 579 . 18 1 1 A 67 67 VAL HA H 67 3.930 3.863 0.067 1
1 587 . 18 1 1 A 67 67 VAL CA C 67 64.811 65.206 -0.395 1
1 588 . 18 1 1 A 67 67 VAL CB C 67 31.581 31.432 0.149 1
1 591 . 18 1 1 A 67 67 VAL N N 67 117.350 116.659 0.691 1
1 592 . 18 1 1 A 68 68 LEU H H 68 7.965 8.499 -0.534 1
1 593 . 18 1 1 A 68 68 LEU HA H 68 3.955 4.267 -0.312 1
1 603 . 18 1 1 A 68 68 LEU CA C 68 57.878 58.049 -0.171 1
1 604 . 18 1 1 A 68 68 LEU CB C 68 40.821 41.825 -1.004 1
1 608 . 18 1 1 A 68 68 LEU N N 68 119.980 120.081 -0.101 1
1 609 . 18 1 1 A 69 69 ALA H H 69 8.577 9.062 -0.485 1
1 610 . 18 1 1 A 69 69 ALA HA H 69 4.375 4.211 0.164 1
1 614 . 18 1 1 A 69 69 ALA CA C 69 55.128 55.283 -0.155 1
1 615 . 18 1 1 A 69 69 ALA CB C 69 17.533 18.358 -0.825 1
1 616 . 18 1 1 A 69 69 ALA N N 69 122.731 121.564 1.167 1
1 617 . 18 1 1 A 70 70 GLN H H 70 7.534 7.560 -0.026 1
1 618 . 18 1 1 A 70 70 GLN HA H 70 4.190 4.144 0.046 1
1 625 . 18 1 1 A 70 70 GLN CA C 70 58.623 59.131 -0.508 1
1 626 . 18 1 1 A 70 70 GLN CB C 70 28.349 28.973 -0.624 1
1 628 . 18 1 1 A 70 70 GLN N N 70 120.846 117.617 3.229 1
1 630 . 18 1 1 A 71 71 ILE H H 71 8.170 7.965 0.205 1
1 631 . 18 1 1 A 71 71 ILE HA H 71 3.455 3.836 -0.381 1
1 641 . 18 1 1 A 71 71 ILE CA C 71 66.530 65.388 1.142 1
1 642 . 18 1 1 A 71 71 ILE CB C 71 37.768 38.104 -0.336 1
1 646 . 18 1 1 A 71 71 ILE N N 71 120.351 119.753 0.598 1
1 647 . 18 1 1 A 72 72 TRP H H 72 8.473 8.406 0.067 1
1 648 . 18 1 1 A 72 72 TRP HA H 72 3.845 4.367 -0.522 1
1 657 . 18 1 1 A 72 72 TRP CA C 72 61.144 61.316 -0.172 1
1 658 . 18 1 1 A 72 72 TRP CB C 72 28.496 29.122 -0.626 1
1 664 . 18 1 1 A 72 72 TRP N N 72 119.417 122.112 -2.695 1
1 666 . 18 1 1 A 73 73 ALA H H 73 7.647 8.514 -0.867 1
1 667 . 18 1 1 A 73 73 ALA HA H 73 4.012 3.847 0.165 1
1 671 . 18 1 1 A 73 73 ALA CA C 73 54.154 54.435 -0.281 1
1 672 . 18 1 1 A 73 73 ALA CB C 73 18.059 18.180 -0.121 1
1 673 . 18 1 1 A 73 73 ALA N N 73 116.148 121.462 -5.314 1
1 674 . 18 1 1 A 74 74 LEU H H 74 7.493 7.405 0.088 1
1 675 . 18 1 1 A 74 74 LEU HA H 74 3.947 4.245 -0.298 1
1 685 . 18 1 1 A 74 74 LEU CA C 74 56.478 56.776 -0.298 1
1 686 . 18 1 1 A 74 74 LEU CB C 74 43.726 42.254 1.472 1
1 690 . 18 1 1 A 74 74 LEU N N 74 115.647 117.397 -1.750 1
1 691 . 18 1 1 A 75 75 ALA H H 75 7.952 7.992 -0.040 1
1 692 . 18 1 1 A 75 75 ALA HA H 75 4.019 4.236 -0.217 1
1 696 . 18 1 1 A 75 75 ALA CA C 75 53.982 55.487 -1.505 1
1 697 . 18 1 1 A 75 75 ALA CB C 75 19.913 19.089 0.824 1
1 698 . 18 1 1 A 75 75 ALA N N 75 118.000 120.736 -2.736 1
1 699 . 18 1 1 A 76 76 ASP H H 76 7.798 7.899 -0.101 1
1 700 . 18 1 1 A 76 76 ASP HA H 76 4.587 4.723 -0.136 1
1 703 . 18 1 1 A 76 76 ASP CA C 76 51.849 53.605 -1.756 1
1 704 . 18 1 1 A 76 76 ASP CB C 76 36.265 40.105 -3.840 1
1 705 . 18 1 1 A 76 76 ASP N N 76 114.297 114.837 -0.540 1
1 706 . 18 1 1 A 77 77 MET H H 77 8.077 8.106 -0.029 1
1 707 . 18 1 1 A 77 77 MET HA H 77 3.867 4.093 -0.226 1
1 715 . 18 1 1 A 77 77 MET CA C 77 59.024 58.656 0.368 1
1 716 . 18 1 1 A 77 77 MET CB C 77 34.550 31.880 2.670 1
1 719 . 18 1 1 A 77 77 MET N N 77 123.959 124.759 -0.800 1
1 720 . 18 1 1 A 78 78 ASN H H 78 7.801 7.810 -0.009 1
1 721 . 18 1 1 A 78 78 ASN HA H 78 4.839 4.744 0.095 1
1 726 . 18 1 1 A 78 78 ASN CA C 78 50.889 54.285 -3.396 1
1 727 . 18 1 1 A 78 78 ASN CB C 78 37.028 39.047 -2.019 1
1 728 . 18 1 1 A 78 78 ASN N N 78 112.247 118.572 -6.325 1
1 730 . 18 1 1 A 79 79 ASN H H 79 8.019 8.398 -0.379 1
1 731 . 18 1 1 A 79 79 ASN HA H 79 4.380 4.989 -0.609 1
1 736 . 18 1 1 A 79 79 ASN CA C 79 54.319 53.868 0.451 1
1 737 . 18 1 1 A 79 79 ASN CB C 79 37.867 36.734 1.133 1
1 738 . 18 1 1 A 79 79 ASN N N 79 116.050 117.094 -1.044 1
1 740 . 18 1 1 A 80 80 ASP H H 80 8.019 8.376 -0.357 1
1 741 . 18 1 1 A 80 80 ASP HA H 80 4.784 4.667 0.117 1
1 744 . 18 1 1 A 80 80 ASP CA C 80 52.672 54.015 -1.343 1
1 745 . 18 1 1 A 80 80 ASP CB C 80 41.585 41.523 0.062 1
1 746 . 18 1 1 A 80 80 ASP N N 80 115.620 119.262 -3.642 1
1 747 . 18 1 1 A 81 81 GLY H H 81 10.345 8.056 2.289 1
1 748 . 18 1 1 A 81 81 GLY HA2 H 81 4.339 3.871 0.468 1
1 749 . 18 1 1 A 81 81 GLY HA3 H 81 4.044 3.998 0.046 1
1 750 . 18 1 1 A 81 81 GLY CA C 81 46.560 46.268 0.292 1
1 751 . 18 1 1 A 81 81 GLY N N 81 112.191 107.637 4.554 1
1 752 . 18 1 1 A 82 82 ARG H H 82 8.365 8.545 -0.180 1
1 753 . 18 1 1 A 82 82 ARG HA H 82 5.105 4.642 0.463 1
1 760 . 18 1 1 A 82 82 ARG CA C 82 53.982 55.783 -1.801 1
1 761 . 18 1 1 A 82 82 ARG CB C 82 33.303 33.195 0.108 1
1 764 . 18 1 1 A 82 82 ARG N N 82 117.518 118.871 -1.353 1
1 765 . 18 1 1 A 83 83 MET H H 83 9.038 8.311 0.727 1
1 766 . 18 1 1 A 83 83 MET HA H 83 6.142 4.579 1.563 1
1 774 . 18 1 1 A 83 83 MET CA C 83 55.586 55.809 -0.223 1
1 775 . 18 1 1 A 83 83 MET CB C 83 38.610 32.741 5.869 1
1 778 . 18 1 1 A 83 83 MET N N 83 120.510 119.442 1.068 1
1 779 . 18 1 1 A 84 84 ASP H H 84 7.586 8.527 -0.941 1
1 780 . 18 1 1 A 84 84 ASP HA H 84 5.259 5.102 0.157 1
1 783 . 18 1 1 A 84 84 ASP CA C 84 51.182 53.209 -2.027 1
1 784 . 18 1 1 A 84 84 ASP CB C 84 42.047 43.936 -1.889 1
1 785 . 18 1 1 A 84 84 ASP N N 84 122.321 119.528 2.793 1
1 786 . 18 1 1 A 85 85 GLN H H 85 7.988 8.816 -0.828 1
1 787 . 18 1 1 A 85 85 GLN HA H 85 2.609 3.985 -1.376 1
1 794 . 18 1 1 A 85 85 GLN CA C 85 58.909 58.068 0.841 1
1 795 . 18 1 1 A 85 85 GLN CB C 85 29.346 27.355 1.991 1
1 797 . 18 1 1 A 85 85 GLN N N 85 115.617 121.314 -5.697 1
1 799 . 18 1 1 A 86 86 VAL H H 86 7.357 7.756 -0.399 1
1 800 . 18 1 1 A 86 86 VAL HA H 86 3.557 3.361 0.196 1
1 808 . 18 1 1 A 86 86 VAL CA C 86 66.117 66.511 -0.394 1
1 809 . 18 1 1 A 86 86 VAL CB C 86 31.538 31.730 -0.192 1
1 812 . 18 1 1 A 86 86 VAL N N 86 120.551 120.741 -0.190 1
1 813 . 18 1 1 A 87 87 GLU H H 87 8.375 8.149 0.226 1
1 814 . 18 1 1 A 87 87 GLU HA H 87 3.908 4.099 -0.191 1
1 819 . 18 1 1 A 87 87 GLU CA C 87 59.424 59.690 -0.266 1
1 820 . 18 1 1 A 87 87 GLU CB C 87 31.466 29.468 1.998 1
1 822 . 18 1 1 A 87 87 GLU N N 87 119.417 119.098 0.319 1
1 823 . 18 1 1 A 88 88 PHE H H 88 8.482 8.853 -0.371 1
1 824 . 18 1 1 A 88 88 PHE HA H 88 4.427 4.232 0.195 1
1 828 . 18 1 1 A 88 88 PHE CA C 88 62.061 61.426 0.635 1
1 829 . 18 1 1 A 88 88 PHE CB C 88 40.726 39.393 1.333 1
1 831 . 18 1 1 A 88 88 PHE N N 88 117.094 122.223 -5.129 1
1 832 . 18 1 1 A 89 89 SER H H 89 7.490 8.069 -0.579 1
1 833 . 18 1 1 A 89 89 SER HA H 89 4.763 4.278 0.485 1
1 836 . 18 1 1 A 89 89 SER CA C 89 59.783 61.581 -1.798 1
1 837 . 18 1 1 A 89 89 SER CB C 89 59.544 62.938 -3.394 1
1 838 . 18 1 1 A 89 89 SER N N 89 113.424 113.663 -0.239 1
1 839 . 18 1 1 A 90 90 ILE H H 90 8.034 7.493 0.541 1
1 840 . 18 1 1 A 90 90 ILE HA H 90 3.506 4.127 -0.621 1
1 850 . 18 1 1 A 90 90 ILE CA C 90 66.098 63.096 3.002 1
1 851 . 18 1 1 A 90 90 ILE CB C 90 37.905 39.074 -1.169 1
1 855 . 18 1 1 A 90 90 ILE N N 90 118.472 121.213 -2.741 1
1 856 . 18 1 1 A 91 91 ALA H H 91 8.197 7.713 0.484 1
1 857 . 18 1 1 A 91 91 ALA HA H 91 4.286 4.129 0.157 1
1 861 . 18 1 1 A 91 91 ALA CA C 91 52.435 55.244 -2.809 1
1 862 . 18 1 1 A 91 91 ALA CB C 91 19.091 18.235 0.856 1
1 863 . 18 1 1 A 91 91 ALA N N 91 119.275 124.096 -4.821 1
1 864 . 18 1 1 A 92 92 MET H H 92 8.183 8.218 -0.035 1
1 865 . 18 1 1 A 92 92 MET HA H 92 4.268 3.796 0.472 1
1 870 . 18 1 1 A 92 92 MET CA C 92 55.643 57.544 -1.901 1
1 871 . 18 1 1 A 92 92 MET CB C 92 29.521 31.961 -2.440 1
1 873 . 18 1 1 A 92 92 MET N N 92 118.681 115.636 3.045 1
1 874 . 18 1 1 A 93 93 LYS H H 93 8.172 7.788 0.384 1
1 875 . 18 1 1 A 93 93 LYS HA H 93 4.006 4.050 -0.044 1
1 878 . 18 1 1 A 93 93 LYS CA C 93 56.840 58.889 -2.049 1
1 879 . 18 1 1 A 93 93 LYS CB C 93 32.830 31.627 1.203 1
1 880 . 18 1 1 A 93 93 LYS N N 93 120.362 120.100 0.262 1
1 881 . 18 1 1 A 94 94 LEU H H 94 8.017 7.890 0.127 1
1 882 . 18 1 1 A 94 94 LEU HA H 94 3.884 4.131 -0.247 1
1 892 . 18 1 1 A 94 94 LEU CA C 94 58.234 57.076 1.158 1
1 893 . 18 1 1 A 94 94 LEU CB C 94 42.050 41.816 0.234 1
1 897 . 18 1 1 A 94 94 LEU N N 94 114.192 119.758 -5.566 1
1 898 . 18 1 1 A 95 95 ILE H H 95 8.377 7.666 0.711 1
1 899 . 18 1 1 A 95 95 ILE HA H 95 3.254 3.400 -0.146 1
1 909 . 18 1 1 A 95 95 ILE CA C 95 66.013 65.993 0.020 1
1 910 . 18 1 1 A 95 95 ILE CB C 95 38.284 37.884 0.400 1
1 914 . 18 1 1 A 95 95 ILE N N 95 118.949 120.111 -1.162 1
1 915 . 18 1 1 A 96 96 LYS H H 96 7.751 7.371 0.380 1
1 916 . 18 1 1 A 96 96 LYS HA H 96 3.928 3.922 0.006 1
1 925 . 18 1 1 A 96 96 LYS CA C 96 59.701 59.873 -0.172 1
1 926 . 18 1 1 A 96 96 LYS CB C 96 32.286 32.199 0.087 1
1 930 . 18 1 1 A 96 96 LYS N N 96 119.637 119.404 0.233 1
1 931 . 18 1 1 A 97 97 LEU H H 97 8.382 7.886 0.496 1
1 932 . 18 1 1 A 97 97 LEU HA H 97 4.006 3.933 0.073 1
1 942 . 18 1 1 A 97 97 LEU CA C 97 57.363 57.999 -0.636 1
1 943 . 18 1 1 A 97 97 LEU CB C 97 40.459 41.533 -1.074 1
1 947 . 18 1 1 A 97 97 LEU N N 97 117.727 121.162 -3.435 1
1 948 . 18 1 1 A 98 98 LYS H H 98 8.761 8.182 0.579 1
1 949 . 18 1 1 A 98 98 LYS HA H 98 4.548 4.426 0.122 1
1 958 . 18 1 1 A 98 98 LYS CA C 98 57.477 59.538 -2.061 1
1 959 . 18 1 1 A 98 98 LYS CB C 98 31.294 32.066 -0.772 1
1 963 . 18 1 1 A 98 98 LYS N N 98 122.255 118.839 3.416 1
1 964 . 18 1 1 A 99 99 LEU H H 99 8.798 8.285 0.513 1
1 965 . 18 1 1 A 99 99 LEU HA H 99 4.100 3.995 0.105 1
1 975 . 18 1 1 A 99 99 LEU CA C 99 57.878 57.581 0.297 1
1 976 . 18 1 1 A 99 99 LEU CB C 99 41.605 40.822 0.783 1
1 980 . 18 1 1 A 99 99 LEU N N 99 122.214 120.458 1.756 1
1 981 . 18 1 1 A 100 100 GLN H H 100 7.749 7.811 -0.062 1
1 982 . 18 1 1 A 100 100 GLN HA H 100 4.285 4.320 -0.035 1
1 989 . 18 1 1 A 100 100 GLN CA C 100 56.503 56.880 -0.377 1
1 990 . 18 1 1 A 100 100 GLN CB C 100 29.576 29.378 0.198 1
1 992 . 18 1 1 A 100 100 GLN N N 100 116.914 117.024 -0.110 1
1 993 . 18 1 1 A 101 101 GLY H H 101 7.910 7.633 0.277 1
1 994 . 18 1 1 A 101 101 GLY HA2 H 101 4.262 3.955 0.307 1
1 995 . 18 1 1 A 101 101 GLY HA3 H 101 3.661 4.017 -0.356 1
1 996 . 18 1 1 A 101 101 GLY CA C 101 44.884 45.031 -0.147 1
1 997 . 18 1 1 A 101 101 GLY N N 101 106.044 107.716 -1.672 1
1 998 . 18 1 1 A 102 102 TYR H H 102 8.078 7.960 0.118 1
1 999 . 18 1 1 A 102 102 TYR HA H 102 4.311 4.683 -0.372 1
1 1006 . 18 1 1 A 102 102 TYR CA C 102 59.253 57.844 1.409 1
1 1007 . 18 1 1 A 102 102 TYR CB C 102 37.849 40.822 -2.973 1
1 1010 . 18 1 1 A 102 102 TYR N N 102 120.876 119.130 1.746 1
1 1011 . 18 1 1 A 103 103 GLN H H 103 8.610 8.903 -0.293 1
1 1012 . 18 1 1 A 103 103 GLN HA H 103 4.280 4.904 -0.624 1
1 1015 . 18 1 1 A 103 103 GLN CA C 103 56.620 55.062 1.558 1
1 1016 . 18 1 1 A 103 103 GLN CB C 103 29.100 30.665 -1.565 1
1 1017 . 18 1 1 A 103 103 GLN N N 103 119.785 121.828 -2.043 1
1 1018 . 18 1 1 A 105 105 PRO HA H 105 4.631 4.741 -0.110 1
1 1025 . 18 1 1 A 105 105 PRO CA C 105 61.602 62.221 -0.619 1
1 1026 . 18 1 1 A 105 105 PRO CB C 105 31.690 33.361 -1.671 1
1 1029 . 18 1 1 A 106 106 SER H H 106 8.485 8.437 0.048 1
1 1030 . 18 1 1 A 106 106 SER HA H 106 4.183 4.253 -0.070 1
1 1033 . 18 1 1 A 106 106 SER CA C 106 59.525 58.857 0.668 1
1 1034 . 18 1 1 A 106 106 SER CB C 106 63.078 63.138 -0.060 1
1 1035 . 18 1 1 A 106 106 SER N N 106 112.361 114.131 -1.770 1
1 1036 . 18 1 1 A 107 107 ALA H H 107 7.410 7.512 -0.102 1
1 1037 . 18 1 1 A 107 107 ALA HA H 107 4.308 4.414 -0.106 1
1 1041 . 18 1 1 A 107 107 ALA CA C 107 50.086 50.991 -0.905 1
1 1042 . 18 1 1 A 107 107 ALA CB C 107 21.253 19.560 1.693 1
1 1043 . 18 1 1 A 107 107 ALA N N 107 121.311 124.773 -3.462 1
1 1044 . 18 1 1 A 108 108 LEU H H 108 8.915 8.685 0.230 1
1 1045 . 18 1 1 A 108 108 LEU HA H 108 4.020 4.507 -0.487 1
1 1055 . 18 1 1 A 108 108 LEU CA C 108 52.990 53.643 -0.653 1
1 1056 . 18 1 1 A 108 108 LEU CB C 108 42.041 41.440 0.601 1
1 1060 . 18 1 1 A 108 108 LEU N N 108 122.607 124.356 -1.749 1
1 1061 . 18 1 1 A 110 110 PRO HA H 110 4.024 4.293 -0.269 1
1 1068 . 18 1 1 A 110 110 PRO CA C 110 65.440 64.940 0.500 1
1 1069 . 18 1 1 A 110 110 PRO CB C 110 31.638 31.938 -0.300 1
1 1072 . 18 1 1 A 111 111 VAL H H 111 8.118 7.244 0.874 1
1 1073 . 18 1 1 A 111 111 VAL HA H 111 3.986 3.862 0.124 1
1 1081 . 18 1 1 A 111 111 VAL CA C 111 63.779 65.147 -1.368 1
1 1082 . 18 1 1 A 111 111 VAL CB C 111 31.065 31.274 -0.209 1
1 1085 . 18 1 1 A 111 111 VAL N N 111 115.605 116.308 -0.703 1
1 1086 . 18 1 1 A 112 112 MET H H 112 7.908 7.574 0.334 1
1 1087 . 18 1 1 A 112 112 MET HA H 112 4.160 4.397 -0.237 1
1 1095 . 18 1 1 A 112 112 MET CA C 112 59.098 58.258 0.840 1
1 1096 . 18 1 1 A 112 112 MET CB C 112 34.024 32.718 1.306 1
1 1099 . 18 1 1 A 112 112 MET N N 112 118.943 118.352 0.591 1
1 1100 . 18 1 1 A 113 113 LYS H H 113 7.330 7.458 -0.128 1
1 1101 . 18 1 1 A 113 113 LYS HA H 113 4.182 4.143 0.039 1
1 1110 . 18 1 1 A 113 113 LYS CA C 113 55.987 59.122 -3.135 1
1 1111 . 18 1 1 A 113 113 LYS CB C 113 32.841 32.447 0.394 1
1 1115 . 18 1 1 A 113 113 LYS N N 113 112.617 116.951 -4.334 1
1 1116 . 18 1 1 A 114 114 GLN H H 114 7.114 7.912 -0.798 1
1 1117 . 18 1 1 A 114 114 GLN HA H 114 4.309 4.309 0.000 1
1 1124 . 18 1 1 A 114 114 GLN CA C 114 54.956 57.945 -2.989 1
1 1125 . 18 1 1 A 114 114 GLN CB C 114 29.241 27.443 1.798 1
1 1127 . 18 1 1 A 114 114 GLN N N 114 117.852 116.021 1.831 1
1 1129 . 18 1 1 A 115 115 GLN H H 115 8.556 8.634 -0.078 1
1 1130 . 18 1 1 A 115 115 GLN HA H 115 4.501 4.378 0.123 1
1 1137 . 18 1 1 A 115 115 GLN CA C 115 53.858 55.603 -1.745 1
1 1138 . 18 1 1 A 115 115 GLN CB C 115 28.234 28.341 -0.107 1
1 1140 . 18 1 1 A 115 115 GLN N N 115 123.195 120.161 3.034 1
1 1142 . 18 1 1 A 116 116 PRO HA H 116 4.530 4.547 -0.017 1
1 1149 . 18 1 1 A 116 116 PRO CA C 116 63.050 62.330 0.720 1
1 1150 . 18 1 1 A 116 116 PRO CB C 116 31.953 32.916 -0.963 1
1 1153 . 18 1 1 A 117 117 VAL H H 117 8.345 8.093 0.252 1
1 1154 . 18 1 1 A 117 117 VAL HA H 117 4.167 4.844 -0.677 1
1 1162 . 18 1 1 A 117 117 VAL CA C 117 61.258 59.323 1.935 1
1 1163 . 18 1 1 A 117 117 VAL CB C 117 33.724 34.792 -1.068 1
1 1166 . 18 1 1 A 117 117 VAL N N 117 120.361 116.367 3.994 1
1 1167 . 18 1 1 A 118 118 ALA H H 118 8.470 8.463 0.007 1
1 1168 . 18 1 1 A 118 118 ALA HA H 118 4.452 4.421 0.031 1
1 1172 . 18 1 1 A 118 118 ALA CA C 118 51.678 52.514 -0.836 1
1 1173 . 18 1 1 A 118 118 ALA CB C 118 19.260 20.072 -0.812 1
1 1174 . 18 1 1 A 118 118 ALA N N 118 128.412 124.637 3.775 1
1 1175 . 18 1 1 A 119 119 ILE H H 119 8.250 7.597 0.653 1
1 1176 . 18 1 1 A 119 119 ILE HA H 119 4.240 4.559 -0.319 1
1 1186 . 18 1 1 A 119 119 ILE CA C 119 60.743 59.754 0.989 1
1 1187 . 18 1 1 A 119 119 ILE CB C 119 38.914 40.919 -2.005 1
1 1191 . 18 1 1 A 119 119 ILE N N 119 120.929 118.969 1.960 1
1 1192 . 18 1 1 A 120 120 SER H H 120 8.413 8.724 -0.311 1
1 1193 . 18 1 1 A 120 120 SER HA H 120 4.543 4.685 -0.142 1
1 1196 . 18 1 1 A 120 120 SER CA C 120 57.878 59.120 -1.242 1
1 1197 . 18 1 1 A 120 120 SER CB C 120 63.951 63.037 0.914 1
1 1198 . 18 1 1 A 120 120 SER N N 120 120.494 124.277 -3.783 1
1 1 . 19 1 1 A 12 12 ALA H H 12 8.223 7.282 0.941 1
1 2 . 19 1 1 A 12 12 ALA HA H 12 4.220 4.261 -0.041 1
1 6 . 19 1 1 A 12 12 ALA CA C 12 52.323 50.496 1.827 1
1 7 . 19 1 1 A 12 12 ALA CB C 12 19.015 19.161 -0.146 1
1 8 . 19 1 1 A 12 12 ALA N N 12 124.624 120.754 3.870 1
1 9 . 19 1 1 A 13 13 GLN H H 13 8.220 8.523 -0.303 1
1 10 . 19 1 1 A 13 13 GLN HA H 13 4.292 4.584 -0.292 1
1 13 . 19 1 1 A 13 13 GLN CA C 13 55.457 57.328 -1.871 1
1 14 . 19 1 1 A 13 13 GLN CB C 13 29.804 31.998 -2.194 1
1 15 . 19 1 1 A 13 13 GLN N N 13 119.119 124.979 -5.860 1
1 16 . 19 1 1 A 14 14 PHE H H 14 8.109 7.733 0.376 1
1 17 . 19 1 1 A 14 14 PHE HA H 14 4.559 4.147 0.412 1
1 20 . 19 1 1 A 14 14 PHE CA C 14 58.250 58.352 -0.102 1
1 21 . 19 1 1 A 14 14 PHE CB C 14 39.950 37.166 2.784 1
1 22 . 19 1 1 A 14 14 PHE N N 14 121.712 118.059 3.653 1
1 23 . 19 1 1 A 15 15 PRO HA H 15 4.492 4.494 -0.002 1
1 30 . 19 1 1 A 15 15 PRO CA C 15 63.047 63.246 -0.199 1
1 31 . 19 1 1 A 15 15 PRO CB C 15 31.810 31.926 -0.116 1
1 34 . 19 1 1 A 16 16 THR H H 16 8.197 8.612 -0.415 1
1 35 . 19 1 1 A 16 16 THR HA H 16 4.614 4.493 0.121 1
1 40 . 19 1 1 A 16 16 THR CA C 16 59.526 64.000 -4.474 1
1 41 . 19 1 1 A 16 16 THR CB C 16 69.603 70.329 -0.726 1
1 43 . 19 1 1 A 16 16 THR N N 16 115.700 114.177 1.523 1
1 44 . 19 1 1 A 17 17 PRO HA H 17 4.360 4.562 -0.202 1
1 51 . 19 1 1 A 17 17 PRO CA C 17 63.321 63.536 -0.215 1
1 52 . 19 1 1 A 17 17 PRO CB C 17 31.680 31.842 -0.162 1
1 55 . 19 1 1 A 18 18 PHE H H 18 8.212 8.850 -0.638 1
1 56 . 19 1 1 A 18 18 PHE HA H 18 4.589 5.359 -0.770 1
1 64 . 19 1 1 A 18 18 PHE CA C 18 57.648 55.245 2.403 1
1 65 . 19 1 1 A 18 18 PHE CB C 18 39.165 42.070 -2.905 1
1 69 . 19 1 1 A 18 18 PHE N N 18 119.185 117.993 1.192 1
1 70 . 19 1 1 A 19 19 GLY H H 19 8.250 8.555 -0.305 1
1 71 . 19 1 1 A 19 19 GLY HA2 H 19 3.943 4.150 -0.207 1
1 72 . 19 1 1 A 19 19 GLY HA3 H 19 3.935 4.297 -0.362 1
1 73 . 19 1 1 A 19 19 GLY CA C 19 45.100 45.033 0.067 1
1 74 . 19 1 1 A 19 19 GLY N N 19 110.566 106.837 3.729 1
1 75 . 19 1 1 A 20 20 GLY H H 20 7.873 8.308 -0.435 1
1 76 . 19 1 1 A 20 20 GLY HA2 H 20 3.964 4.208 -0.244 1
1 77 . 19 1 1 A 20 20 GLY HA3 H 20 3.955 4.241 -0.286 1
1 78 . 19 1 1 A 20 20 GLY CA C 20 45.056 45.279 -0.223 1
1 79 . 19 1 1 A 20 20 GLY N N 20 108.171 108.440 -0.269 1
1 80 . 19 1 1 A 21 21 SER H H 21 8.274 8.387 -0.113 1
1 81 . 19 1 1 A 21 21 SER HA H 21 4.523 5.200 -0.677 1
1 84 . 19 1 1 A 21 21 SER CA C 21 57.951 57.803 0.148 1
1 85 . 19 1 1 A 21 21 SER CB C 21 63.946 64.971 -1.025 1
1 86 . 19 1 1 A 21 21 SER N N 21 115.180 116.490 -1.310 1
1 87 . 19 1 1 A 22 22 LEU H H 22 8.435 8.985 -0.550 1
1 88 . 19 1 1 A 22 22 LEU HA H 22 4.302 4.589 -0.287 1
1 98 . 19 1 1 A 22 22 LEU CA C 22 55.846 54.872 0.974 1
1 99 . 19 1 1 A 22 22 LEU CB C 22 42.229 44.664 -2.435 1
1 103 . 19 1 1 A 22 22 LEU N N 22 123.998 128.065 -4.067 1
1 104 . 19 1 1 A 23 23 ASP H H 23 8.291 7.859 0.432 1
1 105 . 19 1 1 A 23 23 ASP HA H 23 4.494 5.123 -0.629 1
1 108 . 19 1 1 A 23 23 ASP CA C 23 54.981 52.605 2.376 1
1 109 . 19 1 1 A 23 23 ASP CB C 23 41.190 43.244 -2.054 1
1 110 . 19 1 1 A 23 23 ASP N N 23 120.385 116.343 4.042 1
1 111 . 19 1 1 A 24 24 THR H H 24 8.010 8.756 -0.746 1
1 112 . 19 1 1 A 24 24 THR HA H 24 3.770 4.486 -0.716 1
1 117 . 19 1 1 A 24 24 THR CA C 24 64.590 63.892 0.698 1
1 118 . 19 1 1 A 24 24 THR CB C 24 69.620 70.391 -0.771 1
1 120 . 19 1 1 A 24 24 THR N N 24 117.799 114.393 3.406 1
1 121 . 19 1 1 A 25 25 TRP H H 25 7.780 7.912 -0.132 1
1 122 . 19 1 1 A 25 25 TRP HA H 25 4.012 4.452 -0.440 1
1 131 . 19 1 1 A 25 25 TRP CA C 25 57.837 59.317 -1.480 1
1 132 . 19 1 1 A 25 25 TRP CB C 25 28.842 29.974 -1.132 1
1 138 . 19 1 1 A 25 25 TRP N N 25 118.659 118.807 -0.148 1
1 140 . 19 1 1 A 26 26 ALA H H 26 7.101 7.574 -0.473 1
1 141 . 19 1 1 A 26 26 ALA HA H 26 3.949 4.321 -0.372 1
1 145 . 19 1 1 A 26 26 ALA CA C 26 52.102 53.035 -0.933 1
1 146 . 19 1 1 A 26 26 ALA CB C 26 18.840 19.124 -0.284 1
1 147 . 19 1 1 A 26 26 ALA N N 26 117.054 121.743 -4.689 1
1 148 . 19 1 1 A 27 27 ILE H H 27 8.687 8.932 -0.245 1
1 149 . 19 1 1 A 27 27 ILE HA H 27 4.332 4.462 -0.130 1
1 159 . 19 1 1 A 27 27 ILE CA C 27 61.430 60.659 0.771 1
1 160 . 19 1 1 A 27 27 ILE CB C 27 38.550 37.501 1.049 1
1 164 . 19 1 1 A 27 27 ILE N N 27 125.107 123.124 1.983 1
1 165 . 19 1 1 A 28 28 THR H H 28 8.981 8.570 0.411 1
1 166 . 19 1 1 A 28 28 THR HA H 28 4.760 4.570 0.190 1
1 171 . 19 1 1 A 28 28 THR CA C 28 60.685 61.923 -1.238 1
1 172 . 19 1 1 A 28 28 THR CB C 28 71.252 69.726 1.526 1
1 174 . 19 1 1 A 28 28 THR N N 28 118.938 123.399 -4.461 1
1 175 . 19 1 1 A 29 29 VAL H H 29 8.612 8.733 -0.121 1
1 176 . 19 1 1 A 29 29 VAL HA H 29 3.532 3.882 -0.350 1
1 184 . 19 1 1 A 29 29 VAL CA C 29 66.349 65.308 1.041 1
1 185 . 19 1 1 A 29 29 VAL CB C 29 31.799 31.659 0.140 1
1 188 . 19 1 1 A 29 29 VAL N N 29 119.411 125.871 -6.460 1
1 189 . 19 1 1 A 30 30 GLU H H 30 8.432 8.393 0.039 1
1 190 . 19 1 1 A 30 30 GLU HA H 30 4.011 3.893 0.118 1
1 195 . 19 1 1 A 30 30 GLU CA C 30 59.597 59.920 -0.323 1
1 196 . 19 1 1 A 30 30 GLU CB C 30 28.912 29.525 -0.613 1
1 198 . 19 1 1 A 30 30 GLU N N 30 119.890 122.698 -2.808 1
1 199 . 19 1 1 A 31 31 GLU H H 31 7.737 7.974 -0.237 1
1 200 . 19 1 1 A 31 31 GLU HA H 31 3.604 4.023 -0.419 1
1 205 . 19 1 1 A 31 31 GLU CA C 31 58.718 58.171 0.547 1
1 206 . 19 1 1 A 31 31 GLU CB C 31 30.666 29.319 1.347 1
1 208 . 19 1 1 A 31 31 GLU N N 31 120.821 119.803 1.018 1
1 209 . 19 1 1 A 32 32 ARG H H 32 8.382 7.940 0.442 1
1 210 . 19 1 1 A 32 32 ARG HA H 32 3.998 3.593 0.405 1
1 213 . 19 1 1 A 32 32 ARG CA C 32 57.356 58.692 -1.336 1
1 214 . 19 1 1 A 32 32 ARG CB C 32 28.870 29.933 -1.063 1
1 215 . 19 1 1 A 32 32 ARG N N 32 117.523 120.429 -2.906 1
1 216 . 19 1 1 A 33 33 ALA H H 33 7.919 8.632 -0.713 1
1 217 . 19 1 1 A 33 33 ALA HA H 33 4.248 4.034 0.214 1
1 221 . 19 1 1 A 33 33 ALA CA C 33 55.007 55.072 -0.065 1
1 222 . 19 1 1 A 33 33 ALA CB C 33 17.601 18.423 -0.822 1
1 223 . 19 1 1 A 33 33 ALA N N 33 119.982 120.957 -0.975 1
1 224 . 19 1 1 A 34 34 LYS H H 34 7.212 7.961 -0.749 1
1 225 . 19 1 1 A 34 34 LYS HA H 34 4.194 4.045 0.149 1
1 234 . 19 1 1 A 34 34 LYS CA C 34 58.852 59.141 -0.289 1
1 235 . 19 1 1 A 34 34 LYS CB C 34 31.598 32.072 -0.474 1
1 239 . 19 1 1 A 34 34 LYS N N 34 119.567 119.116 0.451 1
1 240 . 19 1 1 A 35 35 HIS H H 35 8.814 7.656 1.158 1
1 241 . 19 1 1 A 35 35 HIS HA H 35 4.923 4.475 0.448 1
1 244 . 19 1 1 A 35 35 HIS CA C 35 57.821 59.672 -1.851 1
1 245 . 19 1 1 A 35 35 HIS CB C 35 29.950 30.079 -0.129 1
1 246 . 19 1 1 A 35 35 HIS N N 35 122.252 118.517 3.735 1
1 247 . 19 1 1 A 36 36 ASP H H 36 9.292 8.360 0.932 1
1 248 . 19 1 1 A 36 36 ASP HA H 36 4.454 4.413 0.041 1
1 251 . 19 1 1 A 36 36 ASP CA C 36 57.305 57.934 -0.629 1
1 252 . 19 1 1 A 36 36 ASP CB C 36 39.889 42.110 -2.221 1
1 253 . 19 1 1 A 36 36 ASP N N 36 118.831 119.929 -1.098 1
1 254 . 19 1 1 A 37 37 GLN H H 37 7.673 8.259 -0.586 1
1 255 . 19 1 1 A 37 37 GLN HA H 37 4.241 4.053 0.188 1
1 262 . 19 1 1 A 37 37 GLN CA C 37 59.019 59.011 0.008 1
1 263 . 19 1 1 A 37 37 GLN CB C 37 28.315 28.514 -0.199 1
1 265 . 19 1 1 A 37 37 GLN N N 37 120.072 117.948 2.124 1
1 266 . 19 1 1 A 38 38 GLN H H 38 8.329 7.743 0.586 1
1 267 . 19 1 1 A 38 38 GLN HA H 38 4.040 4.267 -0.227 1
1 274 . 19 1 1 A 38 38 GLN CA C 38 58.734 58.954 -0.220 1
1 275 . 19 1 1 A 38 38 GLN CB C 38 28.549 29.139 -0.590 1
1 277 . 19 1 1 A 38 38 GLN N N 38 120.847 118.645 2.202 1
1 279 . 19 1 1 A 39 39 PHE H H 39 9.453 8.650 0.803 1
1 280 . 19 1 1 A 39 39 PHE HA H 39 2.811 4.154 -1.343 1
1 286 . 19 1 1 A 39 39 PHE CA C 39 61.602 61.395 0.207 1
1 287 . 19 1 1 A 39 39 PHE CB C 39 38.799 38.945 -0.146 1
1 291 . 19 1 1 A 39 39 PHE N N 39 123.507 122.438 1.069 1
1 292 . 19 1 1 A 40 40 HIS H H 40 8.096 8.643 -0.547 1
1 293 . 19 1 1 A 40 40 HIS HA H 40 3.884 4.086 -0.202 1
1 297 . 19 1 1 A 40 40 HIS CA C 40 59.910 59.812 0.098 1
1 298 . 19 1 1 A 40 40 HIS CB C 40 29.558 29.430 0.128 1
1 300 . 19 1 1 A 40 40 HIS N N 40 114.319 118.980 -4.661 1
1 301 . 19 1 1 A 41 41 SER H H 41 7.818 7.958 -0.140 1
1 302 . 19 1 1 A 41 41 SER HA H 41 4.300 4.376 -0.076 1
1 305 . 19 1 1 A 41 41 SER CA C 41 60.851 61.813 -0.962 1
1 306 . 19 1 1 A 41 41 SER CB C 41 62.612 63.276 -0.664 1
1 307 . 19 1 1 A 41 41 SER N N 41 116.677 115.428 1.249 1
1 308 . 19 1 1 A 42 42 LEU H H 42 7.079 7.546 -0.467 1
1 309 . 19 1 1 A 42 42 LEU HA H 42 4.071 4.255 -0.184 1
1 319 . 19 1 1 A 42 42 LEU CA C 42 54.685 55.038 -0.353 1
1 320 . 19 1 1 A 42 42 LEU CB C 42 40.874 41.988 -1.114 1
1 324 . 19 1 1 A 42 42 LEU N N 42 121.868 118.042 3.826 1
1 325 . 19 1 1 A 43 43 LYS H H 43 7.345 7.304 0.041 1
1 326 . 19 1 1 A 43 43 LYS HA H 43 3.877 3.717 0.160 1
1 335 . 19 1 1 A 43 43 LYS CA C 43 56.035 56.591 -0.556 1
1 336 . 19 1 1 A 43 43 LYS CB C 43 28.886 30.206 -1.320 1
1 340 . 19 1 1 A 43 43 LYS N N 43 110.393 115.871 -5.478 1
1 341 . 19 1 1 A 44 44 PRO HA H 44 4.239 4.273 -0.034 1
1 348 . 19 1 1 A 44 44 PRO CA C 44 62.424 62.161 0.263 1
1 349 . 19 1 1 A 44 44 PRO CB C 44 32.413 31.849 0.564 1
1 352 . 19 1 1 A 45 45 ILE H H 45 8.586 7.822 0.764 1
1 353 . 19 1 1 A 45 45 ILE HA H 45 4.337 4.136 0.201 1
1 363 . 19 1 1 A 45 45 ILE CA C 45 60.170 59.975 0.195 1
1 364 . 19 1 1 A 45 45 ILE CB C 45 39.143 37.795 1.348 1
1 368 . 19 1 1 A 45 45 ILE N N 45 120.985 122.239 -1.254 1
1 369 . 19 1 1 A 46 46 SER H H 46 9.512 8.788 0.724 1
1 370 . 19 1 1 A 46 46 SER HA H 46 4.055 4.188 -0.133 1
1 373 . 19 1 1 A 46 46 SER CA C 46 58.483 60.132 -1.649 1
1 374 . 19 1 1 A 46 46 SER CB C 46 62.174 62.911 -0.737 1
1 375 . 19 1 1 A 46 46 SER N N 46 124.158 122.696 1.462 1
1 376 . 19 1 1 A 47 47 GLY H H 47 8.555 8.138 0.417 1
1 377 . 19 1 1 A 47 47 GLY HA2 H 47 4.020 4.120 -0.100 1
1 378 . 19 1 1 A 47 47 GLY HA3 H 47 3.531 4.174 -0.643 1
1 379 . 19 1 1 A 47 47 GLY CA C 47 44.328 45.744 -1.416 1
1 380 . 19 1 1 A 47 47 GLY N N 47 162.194 108.051 54.143 1
1 381 . 19 1 1 A 48 48 PHE H H 48 7.710 7.105 0.605 1
1 382 . 19 1 1 A 48 48 PHE HA H 48 5.783 5.228 0.555 1
1 387 . 19 1 1 A 48 48 PHE CA C 48 56.732 55.944 0.788 1
1 388 . 19 1 1 A 48 48 PHE CB C 48 43.784 42.454 1.330 1
1 391 . 19 1 1 A 48 48 PHE N N 48 115.641 115.260 0.381 1
1 392 . 19 1 1 A 49 49 ILE H H 49 9.141 9.090 0.051 1
1 393 . 19 1 1 A 49 49 ILE HA H 49 4.908 5.025 -0.117 1
1 403 . 19 1 1 A 49 49 ILE CA C 49 59.368 59.075 0.293 1
1 404 . 19 1 1 A 49 49 ILE CB C 49 39.945 42.489 -2.544 1
1 408 . 19 1 1 A 49 49 ILE N N 49 114.692 116.584 -1.892 1
1 409 . 19 1 1 A 50 50 THR H H 50 8.700 8.612 0.088 1
1 410 . 19 1 1 A 50 50 THR HA H 50 4.473 4.793 -0.320 1
1 415 . 19 1 1 A 50 50 THR CA C 50 60.914 59.763 1.151 1
1 416 . 19 1 1 A 50 50 THR CB C 50 70.829 71.158 -0.329 1
1 418 . 19 1 1 A 50 50 THR N N 50 112.658 115.422 -2.764 1
1 419 . 19 1 1 A 51 51 GLY H H 51 8.778 9.043 -0.265 1
1 420 . 19 1 1 A 51 51 GLY HA2 H 51 3.790 3.492 0.298 1
1 421 . 19 1 1 A 51 51 GLY HA3 H 51 3.713 3.578 0.135 1
1 422 . 19 1 1 A 51 51 GLY CA C 51 48.310 47.225 1.085 1
1 423 . 19 1 1 A 51 51 GLY N N 51 108.204 112.916 -4.712 1
1 424 . 19 1 1 A 52 52 ASP H H 52 8.225 8.356 -0.131 1
1 425 . 19 1 1 A 52 52 ASP HA H 52 4.216 4.186 0.030 1
1 428 . 19 1 1 A 52 52 ASP CA C 52 57.344 57.230 0.114 1
1 429 . 19 1 1 A 52 52 ASP CB C 52 40.304 41.600 -1.296 1
1 430 . 19 1 1 A 52 52 ASP N N 52 119.404 121.604 -2.200 1
1 431 . 19 1 1 A 53 53 GLN H H 53 7.810 7.338 0.472 1
1 432 . 19 1 1 A 53 53 GLN HA H 53 3.969 3.965 0.004 1
1 439 . 19 1 1 A 53 53 GLN CA C 53 58.673 58.480 0.193 1
1 440 . 19 1 1 A 53 53 GLN CB C 53 29.794 28.123 1.671 1
1 442 . 19 1 1 A 53 53 GLN N N 53 118.935 117.481 1.454 1
1 444 . 19 1 1 A 54 54 ALA H H 54 8.293 8.589 -0.296 1
1 445 . 19 1 1 A 54 54 ALA HA H 54 3.642 4.070 -0.428 1
1 449 . 19 1 1 A 54 54 ALA CA C 54 55.243 54.945 0.298 1
1 450 . 19 1 1 A 54 54 ALA CB C 54 19.448 18.002 1.446 1
1 451 . 19 1 1 A 54 54 ALA N N 54 120.858 122.684 -1.826 1
1 452 . 19 1 1 A 55 55 ARG H H 55 8.744 8.011 0.733 1
1 453 . 19 1 1 A 55 55 ARG HA H 55 3.795 2.853 0.942 1
1 460 . 19 1 1 A 55 55 ARG CA C 55 60.628 58.525 2.103 1
1 461 . 19 1 1 A 55 55 ARG CB C 55 30.224 29.913 0.311 1
1 464 . 19 1 1 A 55 55 ARG N N 55 115.211 116.587 -1.376 1
1 465 . 19 1 1 A 56 56 ASN H H 56 8.056 7.569 0.487 1
1 466 . 19 1 1 A 56 56 ASN HA H 56 4.470 4.488 -0.018 1
1 471 . 19 1 1 A 56 56 ASN CA C 56 56.091 56.052 0.039 1
1 472 . 19 1 1 A 56 56 ASN CB C 56 38.069 38.495 -0.426 1
1 473 . 19 1 1 A 56 56 ASN N N 56 116.543 118.219 -1.676 1
1 475 . 19 1 1 A 57 57 PHE H H 57 7.567 7.545 0.022 1
1 476 . 19 1 1 A 57 57 PHE HA H 57 4.517 4.329 0.188 1
1 481 . 19 1 1 A 57 57 PHE CA C 57 61.373 61.600 -0.227 1
1 482 . 19 1 1 A 57 57 PHE CB C 57 39.518 39.672 -0.154 1
1 485 . 19 1 1 A 57 57 PHE N N 57 121.111 120.129 0.982 1
1 486 . 19 1 1 A 58 58 PHE H H 58 8.995 7.472 1.523 1
1 487 . 19 1 1 A 58 58 PHE HA H 58 4.501 4.420 0.081 1
1 491 . 19 1 1 A 58 58 PHE CA C 58 57.190 59.177 -1.987 1
1 492 . 19 1 1 A 58 58 PHE CB C 58 37.236 37.642 -0.406 1
1 494 . 19 1 1 A 58 58 PHE N N 58 119.594 117.095 2.499 1
1 495 . 19 1 1 A 59 59 PHE H H 59 8.510 8.025 0.485 1
1 496 . 19 1 1 A 59 59 PHE HA H 59 4.296 4.231 0.065 1
1 500 . 19 1 1 A 59 59 PHE CA C 59 60.456 61.429 -0.973 1
1 501 . 19 1 1 A 59 59 PHE CB C 59 38.914 39.114 -0.200 1
1 503 . 19 1 1 A 59 59 PHE N N 59 120.834 122.252 -1.418 1
1 504 . 19 1 1 A 60 60 GLN H H 60 7.652 8.011 -0.359 1
1 505 . 19 1 1 A 60 60 GLN HA H 60 4.056 3.990 0.066 1
1 512 . 19 1 1 A 60 60 GLN CA C 60 57.133 58.039 -0.906 1
1 513 . 19 1 1 A 60 60 GLN CB C 60 27.771 28.645 -0.874 1
1 515 . 19 1 1 A 60 60 GLN N N 60 116.464 118.163 -1.699 1
1 517 . 19 1 1 A 61 61 SER H H 61 7.823 7.652 0.171 1
1 518 . 19 1 1 A 61 61 SER HA H 61 3.985 4.321 -0.336 1
1 521 . 19 1 1 A 61 61 SER CA C 61 60.571 59.426 1.145 1
1 522 . 19 1 1 A 61 61 SER CB C 61 65.277 64.367 0.910 1
1 523 . 19 1 1 A 61 61 SER N N 61 113.448 112.701 0.747 1
1 524 . 19 1 1 A 62 62 GLY H H 62 7.478 7.664 -0.186 1
1 525 . 19 1 1 A 62 62 GLY HA2 H 62 4.115 3.828 0.287 1
1 526 . 19 1 1 A 62 62 GLY HA3 H 62 3.699 3.908 -0.209 1
1 527 . 19 1 1 A 62 62 GLY CA C 62 45.445 44.890 0.555 1
1 528 . 19 1 1 A 62 62 GLY N N 62 108.189 110.339 -2.150 1
1 529 . 19 1 1 A 63 63 LEU H H 63 7.282 7.604 -0.322 1
1 530 . 19 1 1 A 63 63 LEU HA H 63 4.471 4.614 -0.143 1
1 540 . 19 1 1 A 63 63 LEU CA C 63 52.971 52.738 0.233 1
1 541 . 19 1 1 A 63 63 LEU CB C 63 41.597 41.169 0.428 1
1 545 . 19 1 1 A 63 63 LEU N N 63 120.356 121.699 -1.343 1
1 546 . 19 1 1 A 64 64 PRO HA H 64 4.559 4.612 -0.053 1
1 553 . 19 1 1 A 64 64 PRO CA C 64 63.039 62.799 0.240 1
1 554 . 19 1 1 A 64 64 PRO CB C 64 33.402 32.803 0.599 1
1 557 . 19 1 1 A 65 65 GLN H H 65 9.289 8.696 0.593 1
1 558 . 19 1 1 A 65 65 GLN HA H 65 4.194 4.171 0.023 1
1 563 . 19 1 1 A 65 65 GLN CA C 65 61.180 60.406 0.774 1
1 564 . 19 1 1 A 65 65 GLN CB C 65 25.845 28.074 -2.229 1
1 566 . 19 1 1 A 65 65 GLN N N 65 122.729 122.059 0.670 1
1 567 . 19 1 1 A 66 66 PRO HA H 66 4.399 4.290 0.109 1
1 574 . 19 1 1 A 66 66 PRO CA C 66 65.956 66.069 -0.113 1
1 575 . 19 1 1 A 66 66 PRO CB C 66 30.665 30.897 -0.232 1
1 578 . 19 1 1 A 67 67 VAL H H 67 6.875 7.038 -0.163 1
1 579 . 19 1 1 A 67 67 VAL HA H 67 3.930 3.766 0.164 1
1 587 . 19 1 1 A 67 67 VAL CA C 67 64.811 65.242 -0.431 1
1 588 . 19 1 1 A 67 67 VAL CB C 67 31.581 31.448 0.133 1
1 591 . 19 1 1 A 67 67 VAL N N 67 117.350 116.400 0.950 1
1 592 . 19 1 1 A 68 68 LEU H H 68 7.965 8.515 -0.550 1
1 593 . 19 1 1 A 68 68 LEU HA H 68 3.955 3.875 0.080 1
1 603 . 19 1 1 A 68 68 LEU CA C 68 57.878 57.882 -0.004 1
1 604 . 19 1 1 A 68 68 LEU CB C 68 40.821 41.721 -0.900 1
1 608 . 19 1 1 A 68 68 LEU N N 68 119.980 120.044 -0.064 1
1 609 . 19 1 1 A 69 69 ALA H H 69 8.577 8.862 -0.285 1
1 610 . 19 1 1 A 69 69 ALA HA H 69 4.375 4.151 0.224 1
1 614 . 19 1 1 A 69 69 ALA CA C 69 55.128 54.819 0.309 1
1 615 . 19 1 1 A 69 69 ALA CB C 69 17.533 18.248 -0.715 1
1 616 . 19 1 1 A 69 69 ALA N N 69 122.731 121.022 1.709 1
1 617 . 19 1 1 A 70 70 GLN H H 70 7.534 7.466 0.068 1
1 618 . 19 1 1 A 70 70 GLN HA H 70 4.190 3.988 0.202 1
1 625 . 19 1 1 A 70 70 GLN CA C 70 58.623 58.763 -0.140 1
1 626 . 19 1 1 A 70 70 GLN CB C 70 28.349 28.307 0.042 1
1 628 . 19 1 1 A 70 70 GLN N N 70 120.846 117.365 3.481 1
1 630 . 19 1 1 A 71 71 ILE H H 71 8.170 7.923 0.247 1
1 631 . 19 1 1 A 71 71 ILE HA H 71 3.455 3.661 -0.206 1
1 641 . 19 1 1 A 71 71 ILE CA C 71 66.530 65.549 0.981 1
1 642 . 19 1 1 A 71 71 ILE CB C 71 37.768 37.837 -0.069 1
1 646 . 19 1 1 A 71 71 ILE N N 71 120.351 119.395 0.956 1
1 647 . 19 1 1 A 72 72 TRP H H 72 8.473 7.599 0.874 1
1 648 . 19 1 1 A 72 72 TRP HA H 72 3.845 4.189 -0.344 1
1 657 . 19 1 1 A 72 72 TRP CA C 72 61.144 61.167 -0.023 1
1 658 . 19 1 1 A 72 72 TRP CB C 72 28.496 28.826 -0.330 1
1 664 . 19 1 1 A 72 72 TRP N N 72 119.417 121.337 -1.920 1
1 666 . 19 1 1 A 73 73 ALA H H 73 7.647 8.354 -0.707 1
1 667 . 19 1 1 A 73 73 ALA HA H 73 4.012 3.683 0.329 1
1 671 . 19 1 1 A 73 73 ALA CA C 73 54.154 54.993 -0.839 1
1 672 . 19 1 1 A 73 73 ALA CB C 73 18.059 18.093 -0.034 1
1 673 . 19 1 1 A 73 73 ALA N N 73 116.148 121.418 -5.270 1
1 674 . 19 1 1 A 74 74 LEU H H 74 7.493 8.326 -0.833 1
1 675 . 19 1 1 A 74 74 LEU HA H 74 3.947 4.028 -0.081 1
1 685 . 19 1 1 A 74 74 LEU CA C 74 56.478 57.909 -1.431 1
1 686 . 19 1 1 A 74 74 LEU CB C 74 43.726 41.283 2.443 1
1 690 . 19 1 1 A 74 74 LEU N N 74 115.647 119.458 -3.811 1
1 691 . 19 1 1 A 75 75 ALA H H 75 7.952 7.629 0.323 1
1 692 . 19 1 1 A 75 75 ALA HA H 75 4.019 4.205 -0.186 1
1 696 . 19 1 1 A 75 75 ALA CA C 75 53.982 55.142 -1.160 1
1 697 . 19 1 1 A 75 75 ALA CB C 75 19.913 18.436 1.477 1
1 698 . 19 1 1 A 75 75 ALA N N 75 118.000 120.755 -2.755 1
1 699 . 19 1 1 A 76 76 ASP H H 76 7.798 8.385 -0.587 1
1 700 . 19 1 1 A 76 76 ASP HA H 76 4.587 4.677 -0.090 1
1 703 . 19 1 1 A 76 76 ASP CA C 76 51.849 53.195 -1.346 1
1 704 . 19 1 1 A 76 76 ASP CB C 76 36.265 39.453 -3.188 1
1 705 . 19 1 1 A 76 76 ASP N N 76 114.297 117.058 -2.761 1
1 706 . 19 1 1 A 77 77 MET H H 77 8.077 8.337 -0.260 1
1 707 . 19 1 1 A 77 77 MET HA H 77 3.867 4.169 -0.302 1
1 715 . 19 1 1 A 77 77 MET CA C 77 59.024 58.493 0.531 1
1 716 . 19 1 1 A 77 77 MET CB C 77 34.550 32.067 2.483 1
1 719 . 19 1 1 A 77 77 MET N N 77 123.959 123.453 0.506 1
1 720 . 19 1 1 A 78 78 ASN H H 78 7.801 7.842 -0.041 1
1 721 . 19 1 1 A 78 78 ASN HA H 78 4.839 4.804 0.035 1
1 726 . 19 1 1 A 78 78 ASN CA C 78 50.889 53.600 -2.711 1
1 727 . 19 1 1 A 78 78 ASN CB C 78 37.028 39.121 -2.093 1
1 728 . 19 1 1 A 78 78 ASN N N 78 112.247 117.760 -5.513 1
1 730 . 19 1 1 A 79 79 ASN H H 79 8.019 7.967 0.052 1
1 731 . 19 1 1 A 79 79 ASN HA H 79 4.380 4.347 0.033 1
1 736 . 19 1 1 A 79 79 ASN CA C 79 54.319 53.953 0.366 1
1 737 . 19 1 1 A 79 79 ASN CB C 79 37.867 36.907 0.960 1
1 738 . 19 1 1 A 79 79 ASN N N 79 116.050 117.149 -1.099 1
1 740 . 19 1 1 A 80 80 ASP H H 80 8.019 8.606 -0.587 1
1 741 . 19 1 1 A 80 80 ASP HA H 80 4.784 4.663 0.121 1
1 744 . 19 1 1 A 80 80 ASP CA C 80 52.672 54.550 -1.878 1
1 745 . 19 1 1 A 80 80 ASP CB C 80 41.585 41.517 0.068 1
1 746 . 19 1 1 A 80 80 ASP N N 80 115.620 120.650 -5.030 1
1 747 . 19 1 1 A 81 81 GLY H H 81 10.345 8.274 2.071 1
1 748 . 19 1 1 A 81 81 GLY HA2 H 81 4.339 4.183 0.156 1
1 749 . 19 1 1 A 81 81 GLY HA3 H 81 4.044 4.607 -0.563 1
1 750 . 19 1 1 A 81 81 GLY CA C 81 46.560 45.957 0.603 1
1 751 . 19 1 1 A 81 81 GLY N N 81 112.191 107.262 4.929 1
1 752 . 19 1 1 A 82 82 ARG H H 82 8.365 8.340 0.025 1
1 753 . 19 1 1 A 82 82 ARG HA H 82 5.105 4.487 0.618 1
1 760 . 19 1 1 A 82 82 ARG CA C 82 53.982 55.635 -1.653 1
1 761 . 19 1 1 A 82 82 ARG CB C 82 33.303 32.367 0.936 1
1 764 . 19 1 1 A 82 82 ARG N N 82 117.518 118.616 -1.098 1
1 765 . 19 1 1 A 83 83 MET H H 83 9.038 8.284 0.754 1
1 766 . 19 1 1 A 83 83 MET HA H 83 6.142 4.309 1.833 1
1 774 . 19 1 1 A 83 83 MET CA C 83 55.586 56.309 -0.723 1
1 775 . 19 1 1 A 83 83 MET CB C 83 38.610 31.206 7.404 1
1 778 . 19 1 1 A 83 83 MET N N 83 120.510 119.107 1.403 1
1 779 . 19 1 1 A 84 84 ASP H H 84 7.586 8.432 -0.846 1
1 780 . 19 1 1 A 84 84 ASP HA H 84 5.259 4.790 0.469 1
1 783 . 19 1 1 A 84 84 ASP CA C 84 51.182 53.785 -2.603 1
1 784 . 19 1 1 A 84 84 ASP CB C 84 42.047 41.900 0.147 1
1 785 . 19 1 1 A 84 84 ASP N N 84 122.321 126.598 -4.277 1
1 786 . 19 1 1 A 85 85 GLN H H 85 7.988 8.735 -0.747 1
1 787 . 19 1 1 A 85 85 GLN HA H 85 2.609 3.834 -1.225 1
1 794 . 19 1 1 A 85 85 GLN CA C 85 58.909 58.689 0.220 1
1 795 . 19 1 1 A 85 85 GLN CB C 85 29.346 28.031 1.315 1
1 797 . 19 1 1 A 85 85 GLN N N 85 115.617 123.570 -7.953 1
1 799 . 19 1 1 A 86 86 VAL H H 86 7.357 7.701 -0.344 1
1 800 . 19 1 1 A 86 86 VAL HA H 86 3.557 3.475 0.082 1
1 808 . 19 1 1 A 86 86 VAL CA C 86 66.117 66.363 -0.246 1
1 809 . 19 1 1 A 86 86 VAL CB C 86 31.538 31.698 -0.160 1
1 812 . 19 1 1 A 86 86 VAL N N 86 120.551 120.884 -0.333 1
1 813 . 19 1 1 A 87 87 GLU H H 87 8.375 8.152 0.223 1
1 814 . 19 1 1 A 87 87 GLU HA H 87 3.908 4.079 -0.171 1
1 819 . 19 1 1 A 87 87 GLU CA C 87 59.424 59.625 -0.201 1
1 820 . 19 1 1 A 87 87 GLU CB C 87 31.466 29.420 2.046 1
1 822 . 19 1 1 A 87 87 GLU N N 87 119.417 119.108 0.309 1
1 823 . 19 1 1 A 88 88 PHE H H 88 8.482 8.984 -0.502 1
1 824 . 19 1 1 A 88 88 PHE HA H 88 4.427 4.120 0.307 1
1 828 . 19 1 1 A 88 88 PHE CA C 88 62.061 61.316 0.745 1
1 829 . 19 1 1 A 88 88 PHE CB C 88 40.726 38.830 1.896 1
1 831 . 19 1 1 A 88 88 PHE N N 88 117.094 122.468 -5.374 1
1 832 . 19 1 1 A 89 89 SER H H 89 7.490 7.966 -0.476 1
1 833 . 19 1 1 A 89 89 SER HA H 89 4.763 3.123 1.640 1
1 836 . 19 1 1 A 89 89 SER CA C 89 59.783 61.088 -1.305 1
1 837 . 19 1 1 A 89 89 SER CB C 89 59.544 62.834 -3.290 1
1 838 . 19 1 1 A 89 89 SER N N 89 113.424 113.065 0.359 1
1 839 . 19 1 1 A 90 90 ILE H H 90 8.034 7.847 0.187 1
1 840 . 19 1 1 A 90 90 ILE HA H 90 3.506 4.034 -0.528 1
1 850 . 19 1 1 A 90 90 ILE CA C 90 66.098 63.621 2.477 1
1 851 . 19 1 1 A 90 90 ILE CB C 90 37.905 38.422 -0.517 1
1 855 . 19 1 1 A 90 90 ILE N N 90 118.472 120.919 -2.447 1
1 856 . 19 1 1 A 91 91 ALA H H 91 8.197 8.366 -0.169 1
1 857 . 19 1 1 A 91 91 ALA HA H 91 4.286 4.138 0.148 1
1 861 . 19 1 1 A 91 91 ALA CA C 91 52.435 55.293 -2.858 1
1 862 . 19 1 1 A 91 91 ALA CB C 91 19.091 17.920 1.171 1
1 863 . 19 1 1 A 91 91 ALA N N 91 119.275 124.008 -4.733 1
1 864 . 19 1 1 A 92 92 MET H H 92 8.183 7.927 0.256 1
1 865 . 19 1 1 A 92 92 MET HA H 92 4.268 4.456 -0.188 1
1 870 . 19 1 1 A 92 92 MET CA C 92 55.643 58.350 -2.707 1
1 871 . 19 1 1 A 92 92 MET CB C 92 29.521 32.172 -2.651 1
1 873 . 19 1 1 A 92 92 MET N N 92 118.681 118.468 0.213 1
1 874 . 19 1 1 A 93 93 LYS H H 93 8.172 7.716 0.456 1
1 875 . 19 1 1 A 93 93 LYS HA H 93 4.006 4.139 -0.133 1
1 878 . 19 1 1 A 93 93 LYS CA C 93 56.840 58.949 -2.109 1
1 879 . 19 1 1 A 93 93 LYS CB C 93 32.830 32.238 0.592 1
1 880 . 19 1 1 A 93 93 LYS N N 93 120.362 118.905 1.457 1
1 881 . 19 1 1 A 94 94 LEU H H 94 8.017 7.855 0.162 1
1 882 . 19 1 1 A 94 94 LEU HA H 94 3.884 4.157 -0.273 1
1 892 . 19 1 1 A 94 94 LEU CA C 94 58.234 58.207 0.027 1
1 893 . 19 1 1 A 94 94 LEU CB C 94 42.050 41.717 0.333 1
1 897 . 19 1 1 A 94 94 LEU N N 94 114.192 120.359 -6.167 1
1 898 . 19 1 1 A 95 95 ILE H H 95 8.377 7.800 0.577 1
1 899 . 19 1 1 A 95 95 ILE HA H 95 3.254 3.582 -0.328 1
1 909 . 19 1 1 A 95 95 ILE CA C 95 66.013 65.730 0.283 1
1 910 . 19 1 1 A 95 95 ILE CB C 95 38.284 37.915 0.369 1
1 914 . 19 1 1 A 95 95 ILE N N 95 118.949 120.285 -1.336 1
1 915 . 19 1 1 A 96 96 LYS H H 96 7.751 8.133 -0.382 1
1 916 . 19 1 1 A 96 96 LYS HA H 96 3.928 4.007 -0.079 1
1 925 . 19 1 1 A 96 96 LYS CA C 96 59.701 59.900 -0.199 1
1 926 . 19 1 1 A 96 96 LYS CB C 96 32.286 31.765 0.521 1
1 930 . 19 1 1 A 96 96 LYS N N 96 119.637 121.037 -1.400 1
1 931 . 19 1 1 A 97 97 LEU H H 97 8.382 8.118 0.264 1
1 932 . 19 1 1 A 97 97 LEU HA H 97 4.006 4.050 -0.044 1
1 942 . 19 1 1 A 97 97 LEU CA C 97 57.363 56.751 0.612 1
1 943 . 19 1 1 A 97 97 LEU CB C 97 40.459 41.194 -0.735 1
1 947 . 19 1 1 A 97 97 LEU N N 97 117.727 119.678 -1.951 1
1 948 . 19 1 1 A 98 98 LYS H H 98 8.761 8.604 0.157 1
1 949 . 19 1 1 A 98 98 LYS HA H 98 4.548 4.230 0.318 1
1 958 . 19 1 1 A 98 98 LYS CA C 98 57.477 60.248 -2.771 1
1 959 . 19 1 1 A 98 98 LYS CB C 98 31.294 32.326 -1.032 1
1 963 . 19 1 1 A 98 98 LYS N N 98 122.255 119.487 2.768 1
1 964 . 19 1 1 A 99 99 LEU H H 99 8.798 8.618 0.180 1
1 965 . 19 1 1 A 99 99 LEU HA H 99 4.100 4.031 0.069 1
1 975 . 19 1 1 A 99 99 LEU CA C 99 57.878 57.438 0.440 1
1 976 . 19 1 1 A 99 99 LEU CB C 99 41.605 40.982 0.623 1
1 980 . 19 1 1 A 99 99 LEU N N 99 122.214 120.153 2.061 1
1 981 . 19 1 1 A 100 100 GLN H H 100 7.749 7.733 0.016 1
1 982 . 19 1 1 A 100 100 GLN HA H 100 4.285 4.313 -0.028 1
1 989 . 19 1 1 A 100 100 GLN CA C 100 56.503 55.900 0.603 1
1 990 . 19 1 1 A 100 100 GLN CB C 100 29.576 29.083 0.493 1
1 992 . 19 1 1 A 100 100 GLN N N 100 116.914 116.654 0.260 1
1 993 . 19 1 1 A 101 101 GLY H H 101 7.910 7.901 0.009 1
1 994 . 19 1 1 A 101 101 GLY HA2 H 101 4.262 4.001 0.261 1
1 995 . 19 1 1 A 101 101 GLY HA3 H 101 3.661 4.001 -0.340 1
1 996 . 19 1 1 A 101 101 GLY CA C 101 44.884 46.051 -1.167 1
1 997 . 19 1 1 A 101 101 GLY N N 101 106.044 107.512 -1.468 1
1 998 . 19 1 1 A 102 102 TYR H H 102 8.078 7.800 0.278 1
1 999 . 19 1 1 A 102 102 TYR HA H 102 4.311 4.663 -0.352 1
1 1006 . 19 1 1 A 102 102 TYR CA C 102 59.253 57.418 1.835 1
1 1007 . 19 1 1 A 102 102 TYR CB C 102 37.849 40.450 -2.601 1
1 1010 . 19 1 1 A 102 102 TYR N N 102 120.876 117.985 2.891 1
1 1011 . 19 1 1 A 103 103 GLN H H 103 8.610 9.147 -0.537 1
1 1012 . 19 1 1 A 103 103 GLN HA H 103 4.280 4.956 -0.676 1
1 1015 . 19 1 1 A 103 103 GLN CA C 103 56.620 53.895 2.725 1
1 1016 . 19 1 1 A 103 103 GLN CB C 103 29.100 32.365 -3.265 1
1 1017 . 19 1 1 A 103 103 GLN N N 103 119.785 117.600 2.185 1
1 1018 . 19 1 1 A 105 105 PRO HA H 105 4.631 4.516 0.115 1
1 1025 . 19 1 1 A 105 105 PRO CA C 105 61.602 62.454 -0.852 1
1 1026 . 19 1 1 A 105 105 PRO CB C 105 31.690 33.446 -1.756 1
1 1029 . 19 1 1 A 106 106 SER H H 106 8.485 8.722 -0.237 1
1 1030 . 19 1 1 A 106 106 SER HA H 106 4.183 4.204 -0.021 1
1 1033 . 19 1 1 A 106 106 SER CA C 106 59.525 60.199 -0.674 1
1 1034 . 19 1 1 A 106 106 SER CB C 106 63.078 62.984 0.094 1
1 1035 . 19 1 1 A 106 106 SER N N 106 112.361 116.132 -3.771 1
1 1036 . 19 1 1 A 107 107 ALA H H 107 7.410 7.446 -0.036 1
1 1037 . 19 1 1 A 107 107 ALA HA H 107 4.308 4.449 -0.141 1
1 1041 . 19 1 1 A 107 107 ALA CA C 107 50.086 51.186 -1.100 1
1 1042 . 19 1 1 A 107 107 ALA CB C 107 21.253 19.535 1.718 1
1 1043 . 19 1 1 A 107 107 ALA N N 107 121.311 122.749 -1.438 1
1 1044 . 19 1 1 A 108 108 LEU H H 108 8.915 8.803 0.112 1
1 1045 . 19 1 1 A 108 108 LEU HA H 108 4.020 4.648 -0.628 1
1 1055 . 19 1 1 A 108 108 LEU CA C 108 52.990 52.858 0.132 1
1 1056 . 19 1 1 A 108 108 LEU CB C 108 42.041 41.029 1.012 1
1 1060 . 19 1 1 A 108 108 LEU N N 108 122.607 124.404 -1.797 1
1 1061 . 19 1 1 A 110 110 PRO HA H 110 4.024 4.369 -0.345 1
1 1068 . 19 1 1 A 110 110 PRO CA C 110 65.440 64.615 0.825 1
1 1069 . 19 1 1 A 110 110 PRO CB C 110 31.638 31.802 -0.164 1
1 1072 . 19 1 1 A 111 111 VAL H H 111 8.118 7.394 0.724 1
1 1073 . 19 1 1 A 111 111 VAL HA H 111 3.986 3.812 0.174 1
1 1081 . 19 1 1 A 111 111 VAL CA C 111 63.779 65.275 -1.496 1
1 1082 . 19 1 1 A 111 111 VAL CB C 111 31.065 31.283 -0.218 1
1 1085 . 19 1 1 A 111 111 VAL N N 111 115.605 116.987 -1.382 1
1 1086 . 19 1 1 A 112 112 MET H H 112 7.908 7.544 0.364 1
1 1087 . 19 1 1 A 112 112 MET HA H 112 4.160 4.532 -0.372 1
1 1095 . 19 1 1 A 112 112 MET CA C 112 59.098 57.004 2.094 1
1 1096 . 19 1 1 A 112 112 MET CB C 112 34.024 32.421 1.603 1
1 1099 . 19 1 1 A 112 112 MET N N 112 118.943 117.695 1.248 1
1 1100 . 19 1 1 A 113 113 LYS H H 113 7.330 7.800 -0.470 1
1 1101 . 19 1 1 A 113 113 LYS HA H 113 4.182 4.445 -0.263 1
1 1110 . 19 1 1 A 113 113 LYS CA C 113 55.987 56.795 -0.808 1
1 1111 . 19 1 1 A 113 113 LYS CB C 113 32.841 34.267 -1.426 1
1 1115 . 19 1 1 A 113 113 LYS N N 113 112.617 114.530 -1.913 1
1 1116 . 19 1 1 A 114 114 GLN H H 114 7.114 8.345 -1.231 1
1 1117 . 19 1 1 A 114 114 GLN HA H 114 4.309 4.202 0.107 1
1 1124 . 19 1 1 A 114 114 GLN CA C 114 54.956 57.878 -2.922 1
1 1125 . 19 1 1 A 114 114 GLN CB C 114 29.241 27.316 1.925 1
1 1127 . 19 1 1 A 114 114 GLN N N 114 117.852 116.077 1.775 1
1 1129 . 19 1 1 A 115 115 GLN H H 115 8.556 8.409 0.147 1
1 1130 . 19 1 1 A 115 115 GLN HA H 115 4.501 4.662 -0.161 1
1 1137 . 19 1 1 A 115 115 GLN CA C 115 53.858 54.004 -0.146 1
1 1138 . 19 1 1 A 115 115 GLN CB C 115 28.234 28.221 0.013 1
1 1140 . 19 1 1 A 115 115 GLN N N 115 123.195 120.958 2.237 1
1 1142 . 19 1 1 A 116 116 PRO HA H 116 4.530 4.462 0.068 1
1 1149 . 19 1 1 A 116 116 PRO CA C 116 63.050 63.134 -0.084 1
1 1150 . 19 1 1 A 116 116 PRO CB C 116 31.953 31.872 0.081 1
1 1153 . 19 1 1 A 117 117 VAL H H 117 8.345 8.418 -0.073 1
1 1154 . 19 1 1 A 117 117 VAL HA H 117 4.167 3.787 0.380 1
1 1162 . 19 1 1 A 117 117 VAL CA C 117 61.258 62.833 -1.575 1
1 1163 . 19 1 1 A 117 117 VAL CB C 117 33.724 31.965 1.759 1
1 1166 . 19 1 1 A 117 117 VAL N N 117 120.361 123.382 -3.021 1
1 1167 . 19 1 1 A 118 118 ALA H H 118 8.470 8.690 -0.220 1
1 1168 . 19 1 1 A 118 118 ALA HA H 118 4.452 3.992 0.460 1
1 1172 . 19 1 1 A 118 118 ALA CA C 118 51.678 52.644 -0.966 1
1 1173 . 19 1 1 A 118 118 ALA CB C 118 19.260 17.606 1.654 1
1 1174 . 19 1 1 A 118 118 ALA N N 118 128.412 126.991 1.421 1
1 1175 . 19 1 1 A 119 119 ILE H H 119 8.250 8.016 0.234 1
1 1176 . 19 1 1 A 119 119 ILE HA H 119 4.240 4.141 0.099 1
1 1186 . 19 1 1 A 119 119 ILE CA C 119 60.743 63.354 -2.611 1
1 1187 . 19 1 1 A 119 119 ILE CB C 119 38.914 38.712 0.202 1
1 1191 . 19 1 1 A 119 119 ILE N N 119 120.929 123.006 -2.077 1
1 1192 . 19 1 1 A 120 120 SER H H 120 8.413 7.913 0.500 1
1 1193 . 19 1 1 A 120 120 SER HA H 120 4.543 4.654 -0.111 1
1 1196 . 19 1 1 A 120 120 SER CA C 120 57.878 57.356 0.522 1
1 1197 . 19 1 1 A 120 120 SER CB C 120 63.951 61.882 2.069 1
1 1198 . 19 1 1 A 120 120 SER N N 120 120.494 117.186 3.308 1
1 1 . 20 1 1 A 12 12 ALA H H 12 8.223 8.716 -0.493 1
1 2 . 20 1 1 A 12 12 ALA HA H 12 4.220 4.588 -0.368 1
1 6 . 20 1 1 A 12 12 ALA CA C 12 52.323 50.563 1.760 1
1 7 . 20 1 1 A 12 12 ALA CB C 12 19.015 19.252 -0.237 1
1 8 . 20 1 1 A 12 12 ALA N N 12 124.624 125.226 -0.602 1
1 9 . 20 1 1 A 13 13 GLN H H 13 8.220 8.457 -0.237 1
1 10 . 20 1 1 A 13 13 GLN HA H 13 4.292 4.698 -0.406 1
1 13 . 20 1 1 A 13 13 GLN CA C 13 55.457 55.127 0.330 1
1 14 . 20 1 1 A 13 13 GLN CB C 13 29.804 29.339 0.465 1
1 15 . 20 1 1 A 13 13 GLN N N 13 119.119 120.652 -1.533 1
1 16 . 20 1 1 A 14 14 PHE H H 14 8.109 8.834 -0.725 1
1 17 . 20 1 1 A 14 14 PHE HA H 14 4.559 5.023 -0.464 1
1 20 . 20 1 1 A 14 14 PHE CA C 14 58.250 54.891 3.359 1
1 21 . 20 1 1 A 14 14 PHE CB C 14 39.950 40.054 -0.104 1
1 22 . 20 1 1 A 14 14 PHE N N 14 121.712 123.112 -1.400 1
1 23 . 20 1 1 A 15 15 PRO HA H 15 4.492 4.835 -0.343 1
1 30 . 20 1 1 A 15 15 PRO CA C 15 63.047 62.456 0.591 1
1 31 . 20 1 1 A 15 15 PRO CB C 15 31.810 30.132 1.678 1
1 34 . 20 1 1 A 16 16 THR H H 16 8.197 8.567 -0.370 1
1 35 . 20 1 1 A 16 16 THR HA H 16 4.614 4.816 -0.202 1
1 40 . 20 1 1 A 16 16 THR CA C 16 59.526 59.093 0.433 1
1 41 . 20 1 1 A 16 16 THR CB C 16 69.603 69.892 -0.289 1
1 43 . 20 1 1 A 16 16 THR N N 16 115.700 117.733 -2.033 1
1 44 . 20 1 1 A 17 17 PRO HA H 17 4.360 4.416 -0.056 1
1 51 . 20 1 1 A 17 17 PRO CA C 17 63.321 62.818 0.503 1
1 52 . 20 1 1 A 17 17 PRO CB C 17 31.680 32.583 -0.903 1
1 55 . 20 1 1 A 18 18 PHE H H 18 8.212 8.724 -0.512 1
1 56 . 20 1 1 A 18 18 PHE HA H 18 4.589 4.453 0.136 1
1 64 . 20 1 1 A 18 18 PHE CA C 18 57.648 59.514 -1.866 1
1 65 . 20 1 1 A 18 18 PHE CB C 18 39.165 37.743 1.422 1
1 69 . 20 1 1 A 18 18 PHE N N 18 119.185 116.557 2.628 1
1 70 . 20 1 1 A 19 19 GLY H H 19 8.250 8.929 -0.679 1
1 71 . 20 1 1 A 19 19 GLY HA2 H 19 3.943 3.974 -0.031 1
1 72 . 20 1 1 A 19 19 GLY HA3 H 19 3.935 3.975 -0.040 1
1 73 . 20 1 1 A 19 19 GLY CA C 19 45.100 46.728 -1.628 1
1 74 . 20 1 1 A 19 19 GLY N N 19 110.566 108.915 1.651 1
1 75 . 20 1 1 A 20 20 GLY H H 20 7.873 8.597 -0.724 1
1 76 . 20 1 1 A 20 20 GLY HA2 H 20 3.964 4.190 -0.226 1
1 77 . 20 1 1 A 20 20 GLY HA3 H 20 3.955 4.201 -0.246 1
1 78 . 20 1 1 A 20 20 GLY CA C 20 45.056 44.471 0.585 1
1 79 . 20 1 1 A 20 20 GLY N N 20 108.171 108.032 0.139 1
1 80 . 20 1 1 A 21 21 SER H H 21 8.274 8.470 -0.196 1
1 81 . 20 1 1 A 21 21 SER HA H 21 4.523 4.946 -0.423 1
1 84 . 20 1 1 A 21 21 SER CA C 21 57.951 57.709 0.242 1
1 85 . 20 1 1 A 21 21 SER CB C 21 63.946 62.281 1.665 1
1 86 . 20 1 1 A 21 21 SER N N 21 115.180 116.748 -1.568 1
1 87 . 20 1 1 A 22 22 LEU H H 22 8.435 8.705 -0.270 1
1 88 . 20 1 1 A 22 22 LEU HA H 22 4.302 4.938 -0.636 1
1 98 . 20 1 1 A 22 22 LEU CA C 22 55.846 53.234 2.612 1
1 99 . 20 1 1 A 22 22 LEU CB C 22 42.229 45.041 -2.812 1
1 103 . 20 1 1 A 22 22 LEU N N 22 123.998 127.483 -3.485 1
1 104 . 20 1 1 A 23 23 ASP H H 23 8.291 8.776 -0.485 1
1 105 . 20 1 1 A 23 23 ASP HA H 23 4.494 4.230 0.264 1
1 108 . 20 1 1 A 23 23 ASP CA C 23 54.981 54.809 0.172 1
1 109 . 20 1 1 A 23 23 ASP CB C 23 41.190 39.251 1.939 1
1 110 . 20 1 1 A 23 23 ASP N N 23 120.385 123.597 -3.212 1
1 111 . 20 1 1 A 24 24 THR H H 24 8.010 8.049 -0.039 1
1 112 . 20 1 1 A 24 24 THR HA H 24 3.770 4.267 -0.497 1
1 117 . 20 1 1 A 24 24 THR CA C 24 64.590 64.363 0.227 1
1 118 . 20 1 1 A 24 24 THR CB C 24 69.620 70.080 -0.460 1
1 120 . 20 1 1 A 24 24 THR N N 24 117.799 111.305 6.494 1
1 121 . 20 1 1 A 25 25 TRP H H 25 7.780 7.874 -0.094 1
1 122 . 20 1 1 A 25 25 TRP HA H 25 4.012 4.455 -0.443 1
1 131 . 20 1 1 A 25 25 TRP CA C 25 57.837 59.048 -1.211 1
1 132 . 20 1 1 A 25 25 TRP CB C 25 28.842 29.969 -1.127 1
1 138 . 20 1 1 A 25 25 TRP N N 25 118.659 118.724 -0.065 1
1 140 . 20 1 1 A 26 26 ALA H H 26 7.101 7.536 -0.435 1
1 141 . 20 1 1 A 26 26 ALA HA H 26 3.949 4.305 -0.356 1
1 145 . 20 1 1 A 26 26 ALA CA C 26 52.102 52.856 -0.754 1
1 146 . 20 1 1 A 26 26 ALA CB C 26 18.840 19.140 -0.300 1
1 147 . 20 1 1 A 26 26 ALA N N 26 117.054 121.570 -4.516 1
1 148 . 20 1 1 A 27 27 ILE H H 27 8.687 8.765 -0.078 1
1 149 . 20 1 1 A 27 27 ILE HA H 27 4.332 4.518 -0.186 1
1 159 . 20 1 1 A 27 27 ILE CA C 27 61.430 60.560 0.870 1
1 160 . 20 1 1 A 27 27 ILE CB C 27 38.550 37.596 0.954 1
1 164 . 20 1 1 A 27 27 ILE N N 27 125.107 121.794 3.313 1
1 165 . 20 1 1 A 28 28 THR H H 28 8.981 8.527 0.454 1
1 166 . 20 1 1 A 28 28 THR HA H 28 4.760 4.612 0.148 1
1 171 . 20 1 1 A 28 28 THR CA C 28 60.685 61.296 -0.611 1
1 172 . 20 1 1 A 28 28 THR CB C 28 71.252 69.613 1.639 1
1 174 . 20 1 1 A 28 28 THR N N 28 118.938 122.175 -3.237 1
1 175 . 20 1 1 A 29 29 VAL H H 29 8.612 8.850 -0.238 1
1 176 . 20 1 1 A 29 29 VAL HA H 29 3.532 3.648 -0.116 1
1 184 . 20 1 1 A 29 29 VAL CA C 29 66.349 66.946 -0.597 1
1 185 . 20 1 1 A 29 29 VAL CB C 29 31.799 31.594 0.205 1
1 188 . 20 1 1 A 29 29 VAL N N 29 119.411 122.695 -3.284 1
1 189 . 20 1 1 A 30 30 GLU H H 30 8.432 8.180 0.252 1
1 190 . 20 1 1 A 30 30 GLU HA H 30 4.011 3.958 0.053 1
1 195 . 20 1 1 A 30 30 GLU CA C 30 59.597 59.653 -0.056 1
1 196 . 20 1 1 A 30 30 GLU CB C 30 28.912 29.146 -0.234 1
1 198 . 20 1 1 A 30 30 GLU N N 30 119.890 119.829 0.061 1
1 199 . 20 1 1 A 31 31 GLU H H 31 7.737 8.215 -0.478 1
1 200 . 20 1 1 A 31 31 GLU HA H 31 3.604 4.119 -0.515 1
1 205 . 20 1 1 A 31 31 GLU CA C 31 58.718 58.929 -0.211 1
1 206 . 20 1 1 A 31 31 GLU CB C 31 30.666 29.260 1.406 1
1 208 . 20 1 1 A 31 31 GLU N N 31 120.821 119.253 1.568 1
1 209 . 20 1 1 A 32 32 ARG H H 32 8.382 8.242 0.140 1
1 210 . 20 1 1 A 32 32 ARG HA H 32 3.998 4.096 -0.098 1
1 213 . 20 1 1 A 32 32 ARG CA C 32 57.356 59.294 -1.938 1
1 214 . 20 1 1 A 32 32 ARG CB C 32 28.870 29.871 -1.001 1
1 215 . 20 1 1 A 32 32 ARG N N 32 117.523 120.887 -3.364 1
1 216 . 20 1 1 A 33 33 ALA H H 33 7.919 8.459 -0.540 1
1 217 . 20 1 1 A 33 33 ALA HA H 33 4.248 4.090 0.158 1
1 221 . 20 1 1 A 33 33 ALA CA C 33 55.007 54.761 0.246 1
1 222 . 20 1 1 A 33 33 ALA CB C 33 17.601 18.377 -0.776 1
1 223 . 20 1 1 A 33 33 ALA N N 33 119.982 120.606 -0.624 1
1 224 . 20 1 1 A 34 34 LYS H H 34 7.212 7.936 -0.724 1
1 225 . 20 1 1 A 34 34 LYS HA H 34 4.194 3.990 0.204 1
1 234 . 20 1 1 A 34 34 LYS CA C 34 58.852 59.223 -0.371 1
1 235 . 20 1 1 A 34 34 LYS CB C 34 31.598 32.075 -0.477 1
1 239 . 20 1 1 A 34 34 LYS N N 34 119.567 119.748 -0.181 1
1 240 . 20 1 1 A 35 35 HIS H H 35 8.814 8.019 0.795 1
1 241 . 20 1 1 A 35 35 HIS HA H 35 4.923 4.295 0.628 1
1 244 . 20 1 1 A 35 35 HIS CA C 35 57.821 59.035 -1.214 1
1 245 . 20 1 1 A 35 35 HIS CB C 35 29.950 28.635 1.315 1
1 246 . 20 1 1 A 35 35 HIS N N 35 122.252 117.580 4.672 1
1 247 . 20 1 1 A 36 36 ASP H H 36 9.292 7.949 1.343 1
1 248 . 20 1 1 A 36 36 ASP HA H 36 4.454 4.074 0.380 1
1 251 . 20 1 1 A 36 36 ASP CA C 36 57.305 57.399 -0.094 1
1 252 . 20 1 1 A 36 36 ASP CB C 36 39.889 41.604 -1.715 1
1 253 . 20 1 1 A 36 36 ASP N N 36 118.831 121.818 -2.987 1
1 254 . 20 1 1 A 37 37 GLN H H 37 7.673 7.985 -0.312 1
1 255 . 20 1 1 A 37 37 GLN HA H 37 4.241 4.054 0.187 1
1 262 . 20 1 1 A 37 37 GLN CA C 37 59.019 59.384 -0.365 1
1 263 . 20 1 1 A 37 37 GLN CB C 37 28.315 28.163 0.152 1
1 265 . 20 1 1 A 37 37 GLN N N 37 120.072 118.957 1.115 1
1 266 . 20 1 1 A 38 38 GLN H H 38 8.329 7.508 0.821 1
1 267 . 20 1 1 A 38 38 GLN HA H 38 4.040 4.254 -0.214 1
1 274 . 20 1 1 A 38 38 GLN CA C 38 58.734 58.845 -0.111 1
1 275 . 20 1 1 A 38 38 GLN CB C 38 28.549 28.753 -0.204 1
1 277 . 20 1 1 A 38 38 GLN N N 38 120.847 118.735 2.112 1
1 279 . 20 1 1 A 39 39 PHE H H 39 9.453 8.672 0.781 1
1 280 . 20 1 1 A 39 39 PHE HA H 39 2.811 3.965 -1.154 1
1 286 . 20 1 1 A 39 39 PHE CA C 39 61.602 61.271 0.331 1
1 287 . 20 1 1 A 39 39 PHE CB C 39 38.799 39.010 -0.211 1
1 291 . 20 1 1 A 39 39 PHE N N 39 123.507 122.691 0.816 1
1 292 . 20 1 1 A 40 40 HIS H H 40 8.096 8.543 -0.447 1
1 293 . 20 1 1 A 40 40 HIS HA H 40 3.884 4.027 -0.143 1
1 297 . 20 1 1 A 40 40 HIS CA C 40 59.910 60.032 -0.122 1
1 298 . 20 1 1 A 40 40 HIS CB C 40 29.558 29.323 0.235 1
1 300 . 20 1 1 A 40 40 HIS N N 40 114.319 118.794 -4.475 1
1 301 . 20 1 1 A 41 41 SER H H 41 7.818 7.806 0.012 1
1 302 . 20 1 1 A 41 41 SER HA H 41 4.300 4.147 0.153 1
1 305 . 20 1 1 A 41 41 SER CA C 41 60.851 61.662 -0.811 1
1 306 . 20 1 1 A 41 41 SER CB C 41 62.612 63.287 -0.675 1
1 307 . 20 1 1 A 41 41 SER N N 41 116.677 115.446 1.231 1
1 308 . 20 1 1 A 42 42 LEU H H 42 7.079 7.385 -0.306 1
1 309 . 20 1 1 A 42 42 LEU HA H 42 4.071 4.321 -0.250 1
1 319 . 20 1 1 A 42 42 LEU CA C 42 54.685 55.109 -0.424 1
1 320 . 20 1 1 A 42 42 LEU CB C 42 40.874 41.956 -1.082 1
1 324 . 20 1 1 A 42 42 LEU N N 42 121.868 120.207 1.661 1
1 325 . 20 1 1 A 43 43 LYS H H 43 7.345 7.617 -0.272 1
1 326 . 20 1 1 A 43 43 LYS HA H 43 3.877 3.728 0.149 1
1 335 . 20 1 1 A 43 43 LYS CA C 43 56.035 56.557 -0.522 1
1 336 . 20 1 1 A 43 43 LYS CB C 43 28.886 30.253 -1.367 1
1 340 . 20 1 1 A 43 43 LYS N N 43 110.393 117.249 -6.856 1
1 341 . 20 1 1 A 44 44 PRO HA H 44 4.239 4.233 0.006 1
1 348 . 20 1 1 A 44 44 PRO CA C 44 62.424 62.675 -0.251 1
1 349 . 20 1 1 A 44 44 PRO CB C 44 32.413 31.479 0.934 1
1 352 . 20 1 1 A 45 45 ILE H H 45 8.586 7.779 0.807 1
1 353 . 20 1 1 A 45 45 ILE HA H 45 4.337 3.826 0.511 1
1 363 . 20 1 1 A 45 45 ILE CA C 45 60.170 63.300 -3.130 1
1 364 . 20 1 1 A 45 45 ILE CB C 45 39.143 37.967 1.176 1
1 368 . 20 1 1 A 45 45 ILE N N 45 120.985 122.113 -1.128 1
1 369 . 20 1 1 A 46 46 SER H H 46 9.512 7.458 2.054 1
1 370 . 20 1 1 A 46 46 SER HA H 46 4.055 4.563 -0.508 1
1 373 . 20 1 1 A 46 46 SER CA C 46 58.483 58.155 0.328 1
1 374 . 20 1 1 A 46 46 SER CB C 46 62.174 63.625 -1.451 1
1 375 . 20 1 1 A 46 46 SER N N 46 124.158 113.379 10.779 1
1 376 . 20 1 1 A 47 47 GLY H H 47 8.555 8.820 -0.265 1
1 377 . 20 1 1 A 47 47 GLY HA2 H 47 4.020 3.955 0.065 1
1 378 . 20 1 1 A 47 47 GLY HA3 H 47 3.531 4.020 -0.489 1
1 379 . 20 1 1 A 47 47 GLY CA C 47 44.328 45.578 -1.250 1
1 380 . 20 1 1 A 47 47 GLY N N 47 162.194 109.564 52.630 1
1 381 . 20 1 1 A 48 48 PHE H H 48 7.710 7.419 0.291 1
1 382 . 20 1 1 A 48 48 PHE HA H 48 5.783 5.405 0.378 1
1 387 . 20 1 1 A 48 48 PHE CA C 48 56.732 55.938 0.794 1
1 388 . 20 1 1 A 48 48 PHE CB C 48 43.784 41.118 2.666 1
1 391 . 20 1 1 A 48 48 PHE N N 48 115.641 114.661 0.980 1
1 392 . 20 1 1 A 49 49 ILE H H 49 9.141 8.975 0.166 1
1 393 . 20 1 1 A 49 49 ILE HA H 49 4.908 5.202 -0.294 1
1 403 . 20 1 1 A 49 49 ILE CA C 49 59.368 59.247 0.121 1
1 404 . 20 1 1 A 49 49 ILE CB C 49 39.945 42.174 -2.229 1
1 408 . 20 1 1 A 49 49 ILE N N 49 114.692 116.582 -1.890 1
1 409 . 20 1 1 A 50 50 THR H H 50 8.700 8.474 0.226 1
1 410 . 20 1 1 A 50 50 THR HA H 50 4.473 4.904 -0.431 1
1 415 . 20 1 1 A 50 50 THR CA C 50 60.914 59.587 1.327 1
1 416 . 20 1 1 A 50 50 THR CB C 50 70.829 71.294 -0.465 1
1 418 . 20 1 1 A 50 50 THR N N 50 112.658 115.326 -2.668 1
1 419 . 20 1 1 A 51 51 GLY H H 51 8.778 9.095 -0.317 1
1 420 . 20 1 1 A 51 51 GLY HA2 H 51 3.790 3.664 0.126 1
1 421 . 20 1 1 A 51 51 GLY HA3 H 51 3.713 3.782 -0.069 1
1 422 . 20 1 1 A 51 51 GLY CA C 51 48.310 47.343 0.967 1
1 423 . 20 1 1 A 51 51 GLY N N 51 108.204 113.155 -4.951 1
1 424 . 20 1 1 A 52 52 ASP H H 52 8.225 8.353 -0.128 1
1 425 . 20 1 1 A 52 52 ASP HA H 52 4.216 4.187 0.029 1
1 428 . 20 1 1 A 52 52 ASP CA C 52 57.344 57.162 0.182 1
1 429 . 20 1 1 A 52 52 ASP CB C 52 40.304 41.462 -1.158 1
1 430 . 20 1 1 A 52 52 ASP N N 52 119.404 121.561 -2.157 1
1 431 . 20 1 1 A 53 53 GLN H H 53 7.810 7.783 0.027 1
1 432 . 20 1 1 A 53 53 GLN HA H 53 3.969 3.964 0.005 1
1 439 . 20 1 1 A 53 53 GLN CA C 53 58.673 58.599 0.074 1
1 440 . 20 1 1 A 53 53 GLN CB C 53 29.794 28.308 1.486 1
1 442 . 20 1 1 A 53 53 GLN N N 53 118.935 117.805 1.130 1
1 444 . 20 1 1 A 54 54 ALA H H 54 8.293 8.347 -0.054 1
1 445 . 20 1 1 A 54 54 ALA HA H 54 3.642 3.641 0.001 1
1 449 . 20 1 1 A 54 54 ALA CA C 54 55.243 54.695 0.548 1
1 450 . 20 1 1 A 54 54 ALA CB C 54 19.448 17.864 1.584 1
1 451 . 20 1 1 A 54 54 ALA N N 54 120.858 122.326 -1.468 1
1 452 . 20 1 1 A 55 55 ARG H H 55 8.744 7.828 0.916 1
1 453 . 20 1 1 A 55 55 ARG HA H 55 3.795 4.070 -0.275 1
1 460 . 20 1 1 A 55 55 ARG CA C 55 60.628 59.543 1.085 1
1 461 . 20 1 1 A 55 55 ARG CB C 55 30.224 29.900 0.324 1
1 464 . 20 1 1 A 55 55 ARG N N 55 115.211 117.569 -2.358 1
1 465 . 20 1 1 A 56 56 ASN H H 56 8.056 7.737 0.319 1
1 466 . 20 1 1 A 56 56 ASN HA H 56 4.470 4.473 -0.003 1
1 471 . 20 1 1 A 56 56 ASN CA C 56 56.091 56.223 -0.132 1
1 472 . 20 1 1 A 56 56 ASN CB C 56 38.069 39.078 -1.009 1
1 473 . 20 1 1 A 56 56 ASN N N 56 116.543 117.936 -1.393 1
1 475 . 20 1 1 A 57 57 PHE H H 57 7.567 8.084 -0.517 1
1 476 . 20 1 1 A 57 57 PHE HA H 57 4.517 4.246 0.271 1
1 481 . 20 1 1 A 57 57 PHE CA C 57 61.373 61.443 -0.070 1
1 482 . 20 1 1 A 57 57 PHE CB C 57 39.518 39.148 0.370 1
1 485 . 20 1 1 A 57 57 PHE N N 57 121.111 120.026 1.085 1
1 486 . 20 1 1 A 58 58 PHE H H 58 8.995 8.548 0.447 1
1 487 . 20 1 1 A 58 58 PHE HA H 58 4.501 4.299 0.202 1
1 491 . 20 1 1 A 58 58 PHE CA C 58 57.190 61.570 -4.380 1
1 492 . 20 1 1 A 58 58 PHE CB C 58 37.236 39.208 -1.972 1
1 494 . 20 1 1 A 58 58 PHE N N 58 119.594 118.500 1.094 1
1 495 . 20 1 1 A 59 59 PHE H H 59 8.510 9.113 -0.603 1
1 496 . 20 1 1 A 59 59 PHE HA H 59 4.296 4.141 0.155 1
1 500 . 20 1 1 A 59 59 PHE CA C 59 60.456 61.237 -0.781 1
1 501 . 20 1 1 A 59 59 PHE CB C 59 38.914 38.902 0.012 1
1 503 . 20 1 1 A 59 59 PHE N N 59 120.834 119.147 1.687 1
1 504 . 20 1 1 A 60 60 GLN H H 60 7.652 8.181 -0.529 1
1 505 . 20 1 1 A 60 60 GLN HA H 60 4.056 4.061 -0.005 1
1 512 . 20 1 1 A 60 60 GLN CA C 60 57.133 58.321 -1.188 1
1 513 . 20 1 1 A 60 60 GLN CB C 60 27.771 28.518 -0.747 1
1 515 . 20 1 1 A 60 60 GLN N N 60 116.464 118.719 -2.255 1
1 517 . 20 1 1 A 61 61 SER H H 61 7.823 7.402 0.421 1
1 518 . 20 1 1 A 61 61 SER HA H 61 3.985 4.366 -0.381 1
1 521 . 20 1 1 A 61 61 SER CA C 61 60.571 58.314 2.257 1
1 522 . 20 1 1 A 61 61 SER CB C 61 65.277 63.474 1.803 1
1 523 . 20 1 1 A 61 61 SER N N 61 113.448 111.992 1.456 1
1 524 . 20 1 1 A 62 62 GLY H H 62 7.478 8.633 -1.155 1
1 525 . 20 1 1 A 62 62 GLY HA2 H 62 4.115 3.735 0.380 1
1 526 . 20 1 1 A 62 62 GLY HA3 H 62 3.699 3.828 -0.129 1
1 527 . 20 1 1 A 62 62 GLY CA C 62 45.445 45.903 -0.458 1
1 528 . 20 1 1 A 62 62 GLY N N 62 108.189 109.893 -1.704 1
1 529 . 20 1 1 A 63 63 LEU H H 63 7.282 7.740 -0.458 1
1 530 . 20 1 1 A 63 63 LEU HA H 63 4.471 4.737 -0.266 1
1 540 . 20 1 1 A 63 63 LEU CA C 63 52.971 51.324 1.647 1
1 541 . 20 1 1 A 63 63 LEU CB C 63 41.597 44.931 -3.334 1
1 545 . 20 1 1 A 63 63 LEU N N 63 120.356 120.755 -0.399 1
1 546 . 20 1 1 A 64 64 PRO HA H 64 4.559 4.817 -0.258 1
1 553 . 20 1 1 A 64 64 PRO CA C 64 63.039 62.342 0.697 1
1 554 . 20 1 1 A 64 64 PRO CB C 64 33.402 32.681 0.721 1
1 557 . 20 1 1 A 65 65 GLN H H 65 9.289 8.806 0.483 1
1 558 . 20 1 1 A 65 65 GLN HA H 65 4.194 4.137 0.057 1
1 563 . 20 1 1 A 65 65 GLN CA C 65 61.180 60.253 0.927 1
1 564 . 20 1 1 A 65 65 GLN CB C 65 25.845 28.055 -2.210 1
1 566 . 20 1 1 A 65 65 GLN N N 65 122.729 122.077 0.652 1
1 567 . 20 1 1 A 66 66 PRO HA H 66 4.399 4.478 -0.079 1
1 574 . 20 1 1 A 66 66 PRO CA C 66 65.956 65.227 0.729 1
1 575 . 20 1 1 A 66 66 PRO CB C 66 30.665 31.362 -0.697 1
1 578 . 20 1 1 A 67 67 VAL H H 67 6.875 7.685 -0.810 1
1 579 . 20 1 1 A 67 67 VAL HA H 67 3.930 3.993 -0.063 1
1 587 . 20 1 1 A 67 67 VAL CA C 67 64.811 64.640 0.171 1
1 588 . 20 1 1 A 67 67 VAL CB C 67 31.581 31.640 -0.059 1
1 591 . 20 1 1 A 67 67 VAL N N 67 117.350 116.135 1.215 1
1 592 . 20 1 1 A 68 68 LEU H H 68 7.965 8.331 -0.366 1
1 593 . 20 1 1 A 68 68 LEU HA H 68 3.955 3.902 0.053 1
1 603 . 20 1 1 A 68 68 LEU CA C 68 57.878 57.755 0.123 1
1 604 . 20 1 1 A 68 68 LEU CB C 68 40.821 41.853 -1.032 1
1 608 . 20 1 1 A 68 68 LEU N N 68 119.980 119.859 0.121 1
1 609 . 20 1 1 A 69 69 ALA H H 69 8.577 9.110 -0.533 1
1 610 . 20 1 1 A 69 69 ALA HA H 69 4.375 4.326 0.049 1
1 614 . 20 1 1 A 69 69 ALA CA C 69 55.128 54.938 0.190 1
1 615 . 20 1 1 A 69 69 ALA CB C 69 17.533 18.379 -0.846 1
1 616 . 20 1 1 A 69 69 ALA N N 69 122.731 121.183 1.548 1
1 617 . 20 1 1 A 70 70 GLN H H 70 7.534 7.996 -0.462 1
1 618 . 20 1 1 A 70 70 GLN HA H 70 4.190 4.025 0.165 1
1 625 . 20 1 1 A 70 70 GLN CA C 70 58.623 58.991 -0.368 1
1 626 . 20 1 1 A 70 70 GLN CB C 70 28.349 28.230 0.119 1
1 628 . 20 1 1 A 70 70 GLN N N 70 120.846 117.674 3.172 1
1 630 . 20 1 1 A 71 71 ILE H H 71 8.170 7.525 0.645 1
1 631 . 20 1 1 A 71 71 ILE HA H 71 3.455 3.620 -0.165 1
1 641 . 20 1 1 A 71 71 ILE CA C 71 66.530 65.293 1.237 1
1 642 . 20 1 1 A 71 71 ILE CB C 71 37.768 37.528 0.240 1
1 646 . 20 1 1 A 71 71 ILE N N 71 120.351 119.732 0.619 1
1 647 . 20 1 1 A 72 72 TRP H H 72 8.473 8.506 -0.033 1
1 648 . 20 1 1 A 72 72 TRP HA H 72 3.845 4.341 -0.496 1
1 657 . 20 1 1 A 72 72 TRP CA C 72 61.144 61.300 -0.156 1
1 658 . 20 1 1 A 72 72 TRP CB C 72 28.496 29.353 -0.857 1
1 664 . 20 1 1 A 72 72 TRP N N 72 119.417 121.259 -1.842 1
1 666 . 20 1 1 A 73 73 ALA H H 73 7.647 8.758 -1.111 1
1 667 . 20 1 1 A 73 73 ALA HA H 73 4.012 3.892 0.120 1
1 671 . 20 1 1 A 73 73 ALA CA C 73 54.154 55.065 -0.911 1
1 672 . 20 1 1 A 73 73 ALA CB C 73 18.059 18.100 -0.041 1
1 673 . 20 1 1 A 73 73 ALA N N 73 116.148 121.616 -5.468 1
1 674 . 20 1 1 A 74 74 LEU H H 74 7.493 7.551 -0.058 1
1 675 . 20 1 1 A 74 74 LEU HA H 74 3.947 4.054 -0.107 1
1 685 . 20 1 1 A 74 74 LEU CA C 74 56.478 57.784 -1.306 1
1 686 . 20 1 1 A 74 74 LEU CB C 74 43.726 41.562 2.164 1
1 690 . 20 1 1 A 74 74 LEU N N 74 115.647 120.372 -4.725 1
1 691 . 20 1 1 A 75 75 ALA H H 75 7.952 8.019 -0.067 1
1 692 . 20 1 1 A 75 75 ALA HA H 75 4.019 4.184 -0.165 1
1 696 . 20 1 1 A 75 75 ALA CA C 75 53.982 55.475 -1.493 1
1 697 . 20 1 1 A 75 75 ALA CB C 75 19.913 19.173 0.740 1
1 698 . 20 1 1 A 75 75 ALA N N 75 118.000 121.050 -3.050 1
1 699 . 20 1 1 A 76 76 ASP H H 76 7.798 7.892 -0.094 1
1 700 . 20 1 1 A 76 76 ASP HA H 76 4.587 4.714 -0.127 1
1 703 . 20 1 1 A 76 76 ASP CA C 76 51.849 53.496 -1.647 1
1 704 . 20 1 1 A 76 76 ASP CB C 76 36.265 40.113 -3.848 1
1 705 . 20 1 1 A 76 76 ASP N N 76 114.297 114.792 -0.495 1
1 706 . 20 1 1 A 77 77 MET H H 77 8.077 8.160 -0.083 1
1 707 . 20 1 1 A 77 77 MET HA H 77 3.867 4.029 -0.162 1
1 715 . 20 1 1 A 77 77 MET CA C 77 59.024 58.320 0.704 1
1 716 . 20 1 1 A 77 77 MET CB C 77 34.550 32.023 2.527 1
1 719 . 20 1 1 A 77 77 MET N N 77 123.959 124.709 -0.750 1
1 720 . 20 1 1 A 78 78 ASN H H 78 7.801 7.790 0.011 1
1 721 . 20 1 1 A 78 78 ASN HA H 78 4.839 4.725 0.114 1
1 726 . 20 1 1 A 78 78 ASN CA C 78 50.889 54.351 -3.462 1
1 727 . 20 1 1 A 78 78 ASN CB C 78 37.028 39.087 -2.059 1
1 728 . 20 1 1 A 78 78 ASN N N 78 112.247 118.232 -5.985 1
1 730 . 20 1 1 A 79 79 ASN H H 79 8.019 8.635 -0.616 1
1 731 . 20 1 1 A 79 79 ASN HA H 79 4.380 4.265 0.115 1
1 736 . 20 1 1 A 79 79 ASN CA C 79 54.319 53.841 0.478 1
1 737 . 20 1 1 A 79 79 ASN CB C 79 37.867 36.724 1.143 1
1 738 . 20 1 1 A 79 79 ASN N N 79 116.050 117.058 -1.008 1
1 740 . 20 1 1 A 80 80 ASP H H 80 8.019 8.517 -0.498 1
1 741 . 20 1 1 A 80 80 ASP HA H 80 4.784 4.742 0.042 1
1 744 . 20 1 1 A 80 80 ASP CA C 80 52.672 54.255 -1.583 1
1 745 . 20 1 1 A 80 80 ASP CB C 80 41.585 41.783 -0.198 1
1 746 . 20 1 1 A 80 80 ASP N N 80 115.620 121.048 -5.428 1
1 747 . 20 1 1 A 81 81 GLY H H 81 10.345 8.121 2.224 1
1 748 . 20 1 1 A 81 81 GLY HA2 H 81 4.339 4.242 0.097 1
1 749 . 20 1 1 A 81 81 GLY HA3 H 81 4.044 4.539 -0.495 1
1 750 . 20 1 1 A 81 81 GLY CA C 81 46.560 46.168 0.392 1
1 751 . 20 1 1 A 81 81 GLY N N 81 112.191 107.392 4.799 1
1 752 . 20 1 1 A 82 82 ARG H H 82 8.365 8.201 0.164 1
1 753 . 20 1 1 A 82 82 ARG HA H 82 5.105 4.705 0.400 1
1 760 . 20 1 1 A 82 82 ARG CA C 82 53.982 56.381 -2.399 1
1 761 . 20 1 1 A 82 82 ARG CB C 82 33.303 32.518 0.785 1
1 764 . 20 1 1 A 82 82 ARG N N 82 117.518 120.476 -2.958 1
1 765 . 20 1 1 A 83 83 MET H H 83 9.038 8.282 0.756 1
1 766 . 20 1 1 A 83 83 MET HA H 83 6.142 4.353 1.789 1
1 774 . 20 1 1 A 83 83 MET CA C 83 55.586 56.175 -0.589 1
1 775 . 20 1 1 A 83 83 MET CB C 83 38.610 30.386 8.224 1
1 778 . 20 1 1 A 83 83 MET N N 83 120.510 118.306 2.204 1
1 779 . 20 1 1 A 84 84 ASP H H 84 7.586 8.388 -0.802 1
1 780 . 20 1 1 A 84 84 ASP HA H 84 5.259 4.822 0.437 1
1 783 . 20 1 1 A 84 84 ASP CA C 84 51.182 53.409 -2.227 1
1 784 . 20 1 1 A 84 84 ASP CB C 84 42.047 42.121 -0.074 1
1 785 . 20 1 1 A 84 84 ASP N N 84 122.321 124.720 -2.399 1
1 786 . 20 1 1 A 85 85 GLN H H 85 7.988 8.699 -0.711 1
1 787 . 20 1 1 A 85 85 GLN HA H 85 2.609 3.778 -1.169 1
1 794 . 20 1 1 A 85 85 GLN CA C 85 58.909 58.551 0.358 1
1 795 . 20 1 1 A 85 85 GLN CB C 85 29.346 27.904 1.442 1
1 797 . 20 1 1 A 85 85 GLN N N 85 115.617 123.771 -8.154 1
1 799 . 20 1 1 A 86 86 VAL H H 86 7.357 8.121 -0.764 1
1 800 . 20 1 1 A 86 86 VAL HA H 86 3.557 3.405 0.152 1
1 808 . 20 1 1 A 86 86 VAL CA C 86 66.117 66.988 -0.871 1
1 809 . 20 1 1 A 86 86 VAL CB C 86 31.538 31.535 0.003 1
1 812 . 20 1 1 A 86 86 VAL N N 86 120.551 120.622 -0.071 1
1 813 . 20 1 1 A 87 87 GLU H H 87 8.375 8.249 0.126 1
1 814 . 20 1 1 A 87 87 GLU HA H 87 3.908 4.074 -0.166 1
1 819 . 20 1 1 A 87 87 GLU CA C 87 59.424 59.461 -0.037 1
1 820 . 20 1 1 A 87 87 GLU CB C 87 31.466 29.381 2.085 1
1 822 . 20 1 1 A 87 87 GLU N N 87 119.417 119.533 -0.116 1
1 823 . 20 1 1 A 88 88 PHE H H 88 8.482 8.821 -0.339 1
1 824 . 20 1 1 A 88 88 PHE HA H 88 4.427 4.200 0.227 1
1 828 . 20 1 1 A 88 88 PHE CA C 88 62.061 61.208 0.853 1
1 829 . 20 1 1 A 88 88 PHE CB C 88 40.726 39.275 1.451 1
1 831 . 20 1 1 A 88 88 PHE N N 88 117.094 122.015 -4.921 1
1 832 . 20 1 1 A 89 89 SER H H 89 7.490 8.030 -0.540 1
1 833 . 20 1 1 A 89 89 SER HA H 89 4.763 4.177 0.586 1
1 836 . 20 1 1 A 89 89 SER CA C 89 59.783 60.885 -1.102 1
1 837 . 20 1 1 A 89 89 SER CB C 89 59.544 62.931 -3.387 1
1 838 . 20 1 1 A 89 89 SER N N 89 113.424 113.348 0.076 1
1 839 . 20 1 1 A 90 90 ILE H H 90 8.034 7.467 0.567 1
1 840 . 20 1 1 A 90 90 ILE HA H 90 3.506 4.301 -0.795 1
1 850 . 20 1 1 A 90 90 ILE CA C 90 66.098 62.568 3.530 1
1 851 . 20 1 1 A 90 90 ILE CB C 90 37.905 39.640 -1.735 1
1 855 . 20 1 1 A 90 90 ILE N N 90 118.472 120.872 -2.400 1
1 856 . 20 1 1 A 91 91 ALA H H 91 8.197 8.178 0.019 1
1 857 . 20 1 1 A 91 91 ALA HA H 91 4.286 4.064 0.222 1
1 861 . 20 1 1 A 91 91 ALA CA C 91 52.435 55.242 -2.807 1
1 862 . 20 1 1 A 91 91 ALA CB C 91 19.091 17.900 1.191 1
1 863 . 20 1 1 A 91 91 ALA N N 91 119.275 124.437 -5.162 1
1 864 . 20 1 1 A 92 92 MET H H 92 8.183 7.900 0.283 1
1 865 . 20 1 1 A 92 92 MET HA H 92 4.268 4.055 0.213 1
1 870 . 20 1 1 A 92 92 MET CA C 92 55.643 57.641 -1.998 1
1 871 . 20 1 1 A 92 92 MET CB C 92 29.521 31.994 -2.473 1
1 873 . 20 1 1 A 92 92 MET N N 92 118.681 115.825 2.856 1
1 874 . 20 1 1 A 93 93 LYS H H 93 8.172 7.833 0.339 1
1 875 . 20 1 1 A 93 93 LYS HA H 93 4.006 3.961 0.045 1
1 878 . 20 1 1 A 93 93 LYS CA C 93 56.840 58.810 -1.970 1
1 879 . 20 1 1 A 93 93 LYS CB C 93 32.830 32.274 0.556 1
1 880 . 20 1 1 A 93 93 LYS N N 93 120.362 120.680 -0.318 1
1 881 . 20 1 1 A 94 94 LEU H H 94 8.017 8.100 -0.083 1
1 882 . 20 1 1 A 94 94 LEU HA H 94 3.884 4.044 -0.160 1
1 892 . 20 1 1 A 94 94 LEU CA C 94 58.234 58.395 -0.161 1
1 893 . 20 1 1 A 94 94 LEU CB C 94 42.050 41.686 0.364 1
1 897 . 20 1 1 A 94 94 LEU N N 94 114.192 120.483 -6.291 1
1 898 . 20 1 1 A 95 95 ILE H H 95 8.377 8.020 0.357 1
1 899 . 20 1 1 A 95 95 ILE HA H 95 3.254 3.452 -0.198 1
1 909 . 20 1 1 A 95 95 ILE CA C 95 66.013 66.210 -0.197 1
1 910 . 20 1 1 A 95 95 ILE CB C 95 38.284 38.065 0.219 1
1 914 . 20 1 1 A 95 95 ILE N N 95 118.949 119.530 -0.581 1
1 915 . 20 1 1 A 96 96 LYS H H 96 7.751 7.953 -0.202 1
1 916 . 20 1 1 A 96 96 LYS HA H 96 3.928 4.052 -0.124 1
1 925 . 20 1 1 A 96 96 LYS CA C 96 59.701 59.946 -0.245 1
1 926 . 20 1 1 A 96 96 LYS CB C 96 32.286 31.807 0.479 1
1 930 . 20 1 1 A 96 96 LYS N N 96 119.637 121.014 -1.377 1
1 931 . 20 1 1 A 97 97 LEU H H 97 8.382 8.420 -0.038 1
1 932 . 20 1 1 A 97 97 LEU HA H 97 4.006 3.843 0.163 1
1 942 . 20 1 1 A 97 97 LEU CA C 97 57.363 57.707 -0.344 1
1 943 . 20 1 1 A 97 97 LEU CB C 97 40.459 41.182 -0.723 1
1 947 . 20 1 1 A 97 97 LEU N N 97 117.727 119.802 -2.075 1
1 948 . 20 1 1 A 98 98 LYS H H 98 8.761 8.259 0.502 1
1 949 . 20 1 1 A 98 98 LYS HA H 98 4.548 4.210 0.338 1
1 958 . 20 1 1 A 98 98 LYS CA C 98 57.477 59.943 -2.466 1
1 959 . 20 1 1 A 98 98 LYS CB C 98 31.294 32.202 -0.908 1
1 963 . 20 1 1 A 98 98 LYS N N 98 122.255 118.925 3.330 1
1 964 . 20 1 1 A 99 99 LEU H H 99 8.798 8.466 0.332 1
1 965 . 20 1 1 A 99 99 LEU HA H 99 4.100 4.072 0.028 1
1 975 . 20 1 1 A 99 99 LEU CA C 99 57.878 57.035 0.843 1
1 976 . 20 1 1 A 99 99 LEU CB C 99 41.605 41.159 0.446 1
1 980 . 20 1 1 A 99 99 LEU N N 99 122.214 119.907 2.307 1
1 981 . 20 1 1 A 100 100 GLN H H 100 7.749 7.532 0.217 1
1 982 . 20 1 1 A 100 100 GLN HA H 100 4.285 4.341 -0.056 1
1 989 . 20 1 1 A 100 100 GLN CA C 100 56.503 56.725 -0.222 1
1 990 . 20 1 1 A 100 100 GLN CB C 100 29.576 29.311 0.265 1
1 992 . 20 1 1 A 100 100 GLN N N 100 116.914 117.896 -0.982 1
1 993 . 20 1 1 A 101 101 GLY H H 101 7.910 7.815 0.095 1
1 994 . 20 1 1 A 101 101 GLY HA2 H 101 4.262 4.017 0.245 1
1 995 . 20 1 1 A 101 101 GLY HA3 H 101 3.661 4.031 -0.370 1
1 996 . 20 1 1 A 101 101 GLY CA C 101 44.884 45.240 -0.356 1
1 997 . 20 1 1 A 101 101 GLY N N 101 106.044 107.628 -1.584 1
1 998 . 20 1 1 A 102 102 TYR H H 102 8.078 8.335 -0.257 1
1 999 . 20 1 1 A 102 102 TYR HA H 102 4.311 4.712 -0.401 1
1 1006 . 20 1 1 A 102 102 TYR CA C 102 59.253 57.973 1.280 1
1 1007 . 20 1 1 A 102 102 TYR CB C 102 37.849 40.742 -2.893 1
1 1010 . 20 1 1 A 102 102 TYR N N 102 120.876 119.376 1.500 1
1 1011 . 20 1 1 A 103 103 GLN H H 103 8.610 9.093 -0.483 1
1 1012 . 20 1 1 A 103 103 GLN HA H 103 4.280 5.001 -0.721 1
1 1015 . 20 1 1 A 103 103 GLN CA C 103 56.620 54.859 1.761 1
1 1016 . 20 1 1 A 103 103 GLN CB C 103 29.100 32.921 -3.821 1
1 1017 . 20 1 1 A 103 103 GLN N N 103 119.785 120.967 -1.182 1
1 1018 . 20 1 1 A 105 105 PRO HA H 105 4.631 4.780 -0.149 1
1 1025 . 20 1 1 A 105 105 PRO CA C 105 61.602 62.137 -0.535 1
1 1026 . 20 1 1 A 105 105 PRO CB C 105 31.690 33.171 -1.481 1
1 1029 . 20 1 1 A 106 106 SER H H 106 8.485 8.488 -0.003 1
1 1030 . 20 1 1 A 106 106 SER HA H 106 4.183 4.182 0.001 1
1 1033 . 20 1 1 A 106 106 SER CA C 106 59.525 58.919 0.606 1
1 1034 . 20 1 1 A 106 106 SER CB C 106 63.078 63.152 -0.074 1
1 1035 . 20 1 1 A 106 106 SER N N 106 112.361 114.180 -1.819 1
1 1036 . 20 1 1 A 107 107 ALA H H 107 7.410 7.442 -0.032 1
1 1037 . 20 1 1 A 107 107 ALA HA H 107 4.308 4.408 -0.100 1
1 1041 . 20 1 1 A 107 107 ALA CA C 107 50.086 51.203 -1.117 1
1 1042 . 20 1 1 A 107 107 ALA CB C 107 21.253 19.025 2.228 1
1 1043 . 20 1 1 A 107 107 ALA N N 107 121.311 124.830 -3.519 1
1 1044 . 20 1 1 A 108 108 LEU H H 108 8.915 8.725 0.190 1
1 1045 . 20 1 1 A 108 108 LEU HA H 108 4.020 4.385 -0.365 1
1 1055 . 20 1 1 A 108 108 LEU CA C 108 52.990 52.673 0.317 1
1 1056 . 20 1 1 A 108 108 LEU CB C 108 42.041 43.210 -1.169 1
1 1060 . 20 1 1 A 108 108 LEU N N 108 122.607 126.876 -4.269 1
1 1061 . 20 1 1 A 110 110 PRO HA H 110 4.024 4.464 -0.440 1
1 1068 . 20 1 1 A 110 110 PRO CA C 110 65.440 64.312 1.128 1
1 1069 . 20 1 1 A 110 110 PRO CB C 110 31.638 32.005 -0.367 1
1 1072 . 20 1 1 A 111 111 VAL H H 111 8.118 7.706 0.412 1
1 1073 . 20 1 1 A 111 111 VAL HA H 111 3.986 3.932 0.054 1
1 1081 . 20 1 1 A 111 111 VAL CA C 111 63.779 64.719 -0.940 1
1 1082 . 20 1 1 A 111 111 VAL CB C 111 31.065 31.110 -0.045 1
1 1085 . 20 1 1 A 111 111 VAL N N 111 115.605 116.200 -0.595 1
1 1086 . 20 1 1 A 112 112 MET H H 112 7.908 7.502 0.406 1
1 1087 . 20 1 1 A 112 112 MET HA H 112 4.160 4.473 -0.313 1
1 1095 . 20 1 1 A 112 112 MET CA C 112 59.098 57.776 1.322 1
1 1096 . 20 1 1 A 112 112 MET CB C 112 34.024 33.203 0.821 1
1 1099 . 20 1 1 A 112 112 MET N N 112 118.943 119.600 -0.657 1
1 1100 . 20 1 1 A 113 113 LYS H H 113 7.330 7.465 -0.135 1
1 1101 . 20 1 1 A 113 113 LYS HA H 113 4.182 4.219 -0.037 1
1 1110 . 20 1 1 A 113 113 LYS CA C 113 55.987 58.400 -2.413 1
1 1111 . 20 1 1 A 113 113 LYS CB C 113 32.841 32.543 0.298 1
1 1115 . 20 1 1 A 113 113 LYS N N 113 112.617 117.095 -4.478 1
1 1116 . 20 1 1 A 114 114 GLN H H 114 7.114 7.680 -0.566 1
1 1117 . 20 1 1 A 114 114 GLN HA H 114 4.309 4.453 -0.144 1
1 1124 . 20 1 1 A 114 114 GLN CA C 114 54.956 57.875 -2.919 1
1 1125 . 20 1 1 A 114 114 GLN CB C 114 29.241 27.286 1.955 1
1 1127 . 20 1 1 A 114 114 GLN N N 114 117.852 115.982 1.870 1
1 1129 . 20 1 1 A 115 115 GLN H H 115 8.556 8.395 0.161 1
1 1130 . 20 1 1 A 115 115 GLN HA H 115 4.501 4.514 -0.013 1
1 1137 . 20 1 1 A 115 115 GLN CA C 115 53.858 53.453 0.405 1
1 1138 . 20 1 1 A 115 115 GLN CB C 115 28.234 29.842 -1.608 1
1 1140 . 20 1 1 A 115 115 GLN N N 115 123.195 122.319 0.876 1
1 1142 . 20 1 1 A 116 116 PRO HA H 116 4.530 4.404 0.126 1
1 1149 . 20 1 1 A 116 116 PRO CA C 116 63.050 63.241 -0.191 1
1 1150 . 20 1 1 A 116 116 PRO CB C 116 31.953 31.687 0.266 1
1 1153 . 20 1 1 A 117 117 VAL H H 117 8.345 8.295 0.050 1
1 1154 . 20 1 1 A 117 117 VAL HA H 117 4.167 4.097 0.070 1
1 1162 . 20 1 1 A 117 117 VAL CA C 117 61.258 61.651 -0.393 1
1 1163 . 20 1 1 A 117 117 VAL CB C 117 33.724 32.133 1.591 1
1 1166 . 20 1 1 A 117 117 VAL N N 117 120.361 117.945 2.416 1
1 1167 . 20 1 1 A 118 118 ALA H H 118 8.470 8.940 -0.470 1
1 1168 . 20 1 1 A 118 118 ALA HA H 118 4.452 4.930 -0.478 1
1 1172 . 20 1 1 A 118 118 ALA CA C 118 51.678 51.869 -0.191 1
1 1173 . 20 1 1 A 118 118 ALA CB C 118 19.260 22.269 -3.009 1
1 1174 . 20 1 1 A 118 118 ALA N N 118 128.412 126.563 1.849 1
1 1175 . 20 1 1 A 119 119 ILE H H 119 8.250 8.873 -0.623 1
1 1176 . 20 1 1 A 119 119 ILE HA H 119 4.240 4.481 -0.241 1
1 1186 . 20 1 1 A 119 119 ILE CA C 119 60.743 61.227 -0.484 1
1 1187 . 20 1 1 A 119 119 ILE CB C 119 38.914 36.520 2.394 1
1 1191 . 20 1 1 A 119 119 ILE N N 119 120.929 124.695 -3.766 1
1 1192 . 20 1 1 A 120 120 SER H H 120 8.413 8.297 0.116 1
1 1193 . 20 1 1 A 120 120 SER HA H 120 4.543 4.942 -0.399 1
1 1196 . 20 1 1 A 120 120 SER CA C 120 57.878 57.549 0.329 1
1 1197 . 20 1 1 A 120 120 SER CB C 120 63.951 67.302 -3.351 1
1 1198 . 20 1 1 A 120 120 SER N N 120 120.494 121.944 -1.450 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 107 1.391 1
3 1 1 1 "RMS(OBS, PRED)" CB 100 1.693 1
4 1 1 1 "RMS(OBS, PRED)" H 99 0.598 1
5 1 1 1 "RMS(OBS, PRED)" HA 114 0.396 1
6 1 1 1 "RMS(OBS, PRED)" N 99 6.189 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 107 1.158 1
9 1 2 1 "RMS(OBS, PRED)" CB 100 1.519 1
10 1 2 1 "RMS(OBS, PRED)" H 99 0.542 1
11 1 2 1 "RMS(OBS, PRED)" HA 114 0.407 1
12 1 2 1 "RMS(OBS, PRED)" N 99 6.036 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 107 1.383 1
15 1 3 1 "RMS(OBS, PRED)" CB 100 1.799 1
16 1 3 1 "RMS(OBS, PRED)" H 99 0.548 1
17 1 3 1 "RMS(OBS, PRED)" HA 114 0.386 1
18 1 3 1 "RMS(OBS, PRED)" N 99 6.462 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 107 1.272 1
21 1 4 1 "RMS(OBS, PRED)" CB 100 1.404 1
22 1 4 1 "RMS(OBS, PRED)" H 99 0.563 1
23 1 4 1 "RMS(OBS, PRED)" HA 114 0.391 1
24 1 4 1 "RMS(OBS, PRED)" N 99 6.369 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 107 1.267 1
27 1 5 1 "RMS(OBS, PRED)" CB 100 1.672 1
28 1 5 1 "RMS(OBS, PRED)" H 99 0.615 1
29 1 5 1 "RMS(OBS, PRED)" HA 114 0.386 1
30 1 5 1 "RMS(OBS, PRED)" N 99 6.426 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 107 1.343 1
33 1 6 1 "RMS(OBS, PRED)" CB 100 1.612 1
34 1 6 1 "RMS(OBS, PRED)" H 99 0.552 1
35 1 6 1 "RMS(OBS, PRED)" HA 114 0.383 1
36 1 6 1 "RMS(OBS, PRED)" N 99 6.158 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 107 1.219 1
39 1 7 1 "RMS(OBS, PRED)" CB 100 1.546 1
40 1 7 1 "RMS(OBS, PRED)" H 99 0.616 1
41 1 7 1 "RMS(OBS, PRED)" HA 114 0.388 1
42 1 7 1 "RMS(OBS, PRED)" N 99 6.283 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 107 1.251 1
45 1 8 1 "RMS(OBS, PRED)" CB 100 1.513 1
46 1 8 1 "RMS(OBS, PRED)" H 99 0.560 1
47 1 8 1 "RMS(OBS, PRED)" HA 114 0.377 1
48 1 8 1 "RMS(OBS, PRED)" N 99 6.380 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 107 1.323 1
51 1 9 1 "RMS(OBS, PRED)" CB 100 1.548 1
52 1 9 1 "RMS(OBS, PRED)" H 99 0.568 1
53 1 9 1 "RMS(OBS, PRED)" HA 114 0.420 1
54 1 9 1 "RMS(OBS, PRED)" N 99 6.256 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 107 1.303 1
57 1 10 1 "RMS(OBS, PRED)" CB 100 1.703 1
58 1 10 1 "RMS(OBS, PRED)" H 99 0.552 1
59 1 10 1 "RMS(OBS, PRED)" HA 114 0.380 1
60 1 10 1 "RMS(OBS, PRED)" N 99 6.235 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 107 1.215 1
63 1 11 1 "RMS(OBS, PRED)" CB 100 1.461 1
64 1 11 1 "RMS(OBS, PRED)" H 99 0.552 1
65 1 11 1 "RMS(OBS, PRED)" HA 114 0.396 1
66 1 11 1 "RMS(OBS, PRED)" N 99 6.626 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 107 1.273 1
69 1 12 1 "RMS(OBS, PRED)" CB 100 1.645 1
70 1 12 1 "RMS(OBS, PRED)" H 99 0.531 1
71 1 12 1 "RMS(OBS, PRED)" HA 114 0.384 1
72 1 12 1 "RMS(OBS, PRED)" N 99 6.152 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 107 1.393 1
75 1 13 1 "RMS(OBS, PRED)" CB 100 1.635 1
76 1 13 1 "RMS(OBS, PRED)" H 99 0.542 1
77 1 13 1 "RMS(OBS, PRED)" HA 114 0.379 1
78 1 13 1 "RMS(OBS, PRED)" N 99 6.470 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 107 1.362 1
81 1 14 1 "RMS(OBS, PRED)" CB 100 1.619 1
82 1 14 1 "RMS(OBS, PRED)" H 99 0.529 1
83 1 14 1 "RMS(OBS, PRED)" HA 114 0.369 1
84 1 14 1 "RMS(OBS, PRED)" N 99 6.319 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 107 1.240 1
87 1 15 1 "RMS(OBS, PRED)" CB 100 1.584 1
88 1 15 1 "RMS(OBS, PRED)" H 99 0.521 1
89 1 15 1 "RMS(OBS, PRED)" HA 114 0.375 1
90 1 15 1 "RMS(OBS, PRED)" N 99 6.223 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 107 1.222 1
93 1 16 1 "RMS(OBS, PRED)" CB 100 1.621 1
94 1 16 1 "RMS(OBS, PRED)" H 99 0.590 1
95 1 16 1 "RMS(OBS, PRED)" HA 114 0.431 1
96 1 16 1 "RMS(OBS, PRED)" N 99 6.248 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 107 1.291 1
99 1 17 1 "RMS(OBS, PRED)" CB 100 1.539 1
100 1 17 1 "RMS(OBS, PRED)" H 99 0.586 1
101 1 17 1 "RMS(OBS, PRED)" HA 114 0.390 1
102 1 17 1 "RMS(OBS, PRED)" N 99 6.339 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 107 1.338 1
105 1 18 1 "RMS(OBS, PRED)" CB 100 1.545 1
106 1 18 1 "RMS(OBS, PRED)" H 99 0.532 1
107 1 18 1 "RMS(OBS, PRED)" HA 114 0.404 1
108 1 18 1 "RMS(OBS, PRED)" N 99 6.241 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 107 1.311 1
111 1 19 1 "RMS(OBS, PRED)" CB 100 1.552 1
112 1 19 1 "RMS(OBS, PRED)" H 99 0.546 1
113 1 19 1 "RMS(OBS, PRED)" HA 114 0.417 1
114 1 19 1 "RMS(OBS, PRED)" N 99 6.200 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 107 1.326 1
117 1 20 1 "RMS(OBS, PRED)" CB 100 1.711 1
118 1 20 1 "RMS(OBS, PRED)" H 99 0.568 1
119 1 20 1 "RMS(OBS, PRED)" HA 114 0.363 1
120 1 20 1 "RMS(OBS, PRED)" N 99 6.136 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 12 12 ALA H H 12 8.223 8.509 -0.286 2
1 2 . 1 1 A 12 12 ALA HA H 12 4.220 4.662 -0.442 2
1 6 . 1 1 A 12 12 ALA CA C 12 52.323 51.351 0.972 2
1 7 . 1 1 A 12 12 ALA CB C 12 19.015 20.018 -1.003 2
1 8 . 1 1 A 12 12 ALA N N 12 124.624 124.489 0.135 2
1 9 . 1 1 A 13 13 GLN H H 13 8.220 8.413 -0.193 2
1 10 . 1 1 A 13 13 GLN HA H 13 4.292 4.640 -0.348 2
1 13 . 1 1 A 13 13 GLN CA C 13 55.457 55.130 0.327 2
1 14 . 1 1 A 13 13 GLN CB C 13 29.804 30.221 -0.417 2
1 15 . 1 1 A 13 13 GLN N N 13 119.119 120.388 -1.269 2
1 16 . 1 1 A 14 14 PHE H H 14 8.109 8.486 -0.377 2
1 17 . 1 1 A 14 14 PHE HA H 14 4.559 5.054 -0.495 2
1 20 . 1 1 A 14 14 PHE CA C 14 58.250 55.550 2.700 2
1 21 . 1 1 A 14 14 PHE CB C 14 39.950 40.337 -0.387 2
1 22 . 1 1 A 14 14 PHE N N 14 121.712 122.052 -0.340 2
1 23 . 1 1 A 15 15 PRO HA H 15 4.492 4.639 -0.147 2
1 30 . 1 1 A 15 15 PRO CA C 15 63.047 62.734 0.313 2
1 31 . 1 1 A 15 15 PRO CB C 15 31.810 32.384 -0.574 2
1 34 . 1 1 A 16 16 THR H H 16 8.197 8.441 -0.244 2
1 35 . 1 1 A 16 16 THR HA H 16 4.614 4.693 -0.079 2
1 40 . 1 1 A 16 16 THR CA C 16 59.526 59.844 -0.318 2
1 41 . 1 1 A 16 16 THR CB C 16 69.603 69.914 -0.311 2
1 43 . 1 1 A 16 16 THR N N 16 115.700 114.882 0.818 2
1 44 . 1 1 A 17 17 PRO HA H 17 4.360 4.618 -0.258 2
1 51 . 1 1 A 17 17 PRO CA C 17 63.321 62.731 0.590 2
1 52 . 1 1 A 17 17 PRO CB C 17 31.680 32.287 -0.607 2
1 55 . 1 1 A 18 18 PHE H H 18 8.212 8.538 -0.326 2
1 56 . 1 1 A 18 18 PHE HA H 18 4.589 4.977 -0.388 2
1 64 . 1 1 A 18 18 PHE CA C 18 57.648 56.548 1.100 2
1 65 . 1 1 A 18 18 PHE CB C 18 39.165 40.627 -1.462 2
1 69 . 1 1 A 18 18 PHE N N 18 119.185 118.281 0.904 2
1 70 . 1 1 A 19 19 GLY H H 19 8.250 8.550 -0.300 2
1 71 . 1 1 A 19 19 GLY HA2 H 19 3.943 4.081 -0.138 2
1 72 . 1 1 A 19 19 GLY HA3 H 19 3.935 4.135 -0.200 2
1 73 . 1 1 A 19 19 GLY CA C 19 45.100 45.540 -0.440 2
1 74 . 1 1 A 19 19 GLY N N 19 110.566 108.515 2.051 2
1 75 . 1 1 A 20 20 GLY H H 20 7.873 8.411 -0.538 2
1 76 . 1 1 A 20 20 GLY HA2 H 20 3.964 4.066 -0.102 2
1 77 . 1 1 A 20 20 GLY HA3 H 20 3.955 4.087 -0.132 2
1 78 . 1 1 A 20 20 GLY CA C 20 45.056 45.764 -0.708 2
1 79 . 1 1 A 20 20 GLY N N 20 108.171 109.318 -1.147 2
1 80 . 1 1 A 21 21 SER H H 21 8.274 8.437 -0.163 2
1 81 . 1 1 A 21 21 SER HA H 21 4.523 4.741 -0.218 2
1 84 . 1 1 A 21 21 SER CA C 21 57.951 58.056 -0.105 2
1 85 . 1 1 A 21 21 SER CB C 21 63.946 63.910 0.036 2
1 86 . 1 1 A 21 21 SER N N 21 115.180 117.365 -2.185 2
1 87 . 1 1 A 22 22 LEU H H 22 8.435 8.364 0.071 2
1 88 . 1 1 A 22 22 LEU HA H 22 4.302 4.546 -0.244 2
1 98 . 1 1 A 22 22 LEU CA C 22 55.846 54.731 1.115 2
1 99 . 1 1 A 22 22 LEU CB C 22 42.229 43.140 -0.911 2
1 103 . 1 1 A 22 22 LEU N N 22 123.998 123.347 0.651 2
1 104 . 1 1 A 23 23 ASP H H 23 8.291 8.499 -0.208 2
1 105 . 1 1 A 23 23 ASP HA H 23 4.494 4.704 -0.210 2
1 108 . 1 1 A 23 23 ASP CA C 23 54.981 54.125 0.856 2
1 109 . 1 1 A 23 23 ASP CB C 23 41.190 40.304 0.886 2
1 110 . 1 1 A 23 23 ASP N N 23 120.385 120.760 -0.376 2
1 111 . 1 1 A 24 24 THR H H 24 8.010 8.011 -0.001 2
1 112 . 1 1 A 24 24 THR HA H 24 3.770 3.966 -0.196 2
1 117 . 1 1 A 24 24 THR CA C 24 64.590 65.420 -0.830 2
1 118 . 1 1 A 24 24 THR CB C 24 69.620 68.931 0.689 2
1 120 . 1 1 A 24 24 THR N N 24 117.799 114.908 2.891 2
1 121 . 1 1 A 25 25 TRP H H 25 7.780 7.683 0.097 2
1 122 . 1 1 A 25 25 TRP HA H 25 4.012 4.633 -0.621 2
1 131 . 1 1 A 25 25 TRP CA C 25 57.837 57.919 -0.082 2
1 132 . 1 1 A 25 25 TRP CB C 25 28.842 29.907 -1.065 2
1 138 . 1 1 A 25 25 TRP N N 25 118.659 118.493 0.166 2
1 140 . 1 1 A 26 26 ALA H H 26 7.101 7.537 -0.436 2
1 141 . 1 1 A 26 26 ALA HA H 26 3.949 4.496 -0.547 2
1 145 . 1 1 A 26 26 ALA CA C 26 52.102 51.830 0.272 2
1 146 . 1 1 A 26 26 ALA CB C 26 18.840 20.607 -1.767 2
1 147 . 1 1 A 26 26 ALA N N 26 117.054 121.936 -4.882 2
1 148 . 1 1 A 27 27 ILE H H 27 8.687 8.763 -0.076 2
1 149 . 1 1 A 27 27 ILE HA H 27 4.332 4.502 -0.170 2
1 159 . 1 1 A 27 27 ILE CA C 27 61.430 60.710 0.720 2
1 160 . 1 1 A 27 27 ILE CB C 27 38.550 37.836 0.714 2
1 164 . 1 1 A 27 27 ILE N N 27 125.107 121.652 3.455 2
1 165 . 1 1 A 28 28 THR H H 28 8.981 8.564 0.417 2
1 166 . 1 1 A 28 28 THR HA H 28 4.760 4.567 0.193 2
1 171 . 1 1 A 28 28 THR CA C 28 60.685 61.544 -0.859 2
1 172 . 1 1 A 28 28 THR CB C 28 71.252 69.961 1.291 2
1 174 . 1 1 A 28 28 THR N N 28 118.938 122.352 -3.414 2
1 175 . 1 1 A 29 29 VAL H H 29 8.612 8.791 -0.179 2
1 176 . 1 1 A 29 29 VAL HA H 29 3.532 3.749 -0.217 2
1 184 . 1 1 A 29 29 VAL CA C 29 66.349 66.136 0.213 2
1 185 . 1 1 A 29 29 VAL CB C 29 31.799 31.612 0.187 2
1 188 . 1 1 A 29 29 VAL N N 29 119.411 124.088 -4.677 2
1 189 . 1 1 A 30 30 GLU H H 30 8.432 8.264 0.168 2
1 190 . 1 1 A 30 30 GLU HA H 30 4.011 3.972 0.039 2
1 195 . 1 1 A 30 30 GLU CA C 30 59.597 59.688 -0.091 2
1 196 . 1 1 A 30 30 GLU CB C 30 28.912 29.215 -0.303 2
1 198 . 1 1 A 30 30 GLU N N 30 119.890 120.545 -0.655 2
1 199 . 1 1 A 31 31 GLU H H 31 7.737 8.245 -0.508 2
1 200 . 1 1 A 31 31 GLU HA H 31 3.604 4.110 -0.506 2
1 205 . 1 1 A 31 31 GLU CA C 31 58.718 58.937 -0.219 2
1 206 . 1 1 A 31 31 GLU CB C 31 30.666 29.297 1.369 2
1 208 . 1 1 A 31 31 GLU N N 31 120.821 119.290 1.531 2
1 209 . 1 1 A 32 32 ARG H H 32 8.382 8.342 0.040 2
1 210 . 1 1 A 32 32 ARG HA H 32 3.998 4.079 -0.081 2
1 213 . 1 1 A 32 32 ARG CA C 32 57.356 59.063 -1.707 2
1 214 . 1 1 A 32 32 ARG CB C 32 28.870 29.989 -1.119 2
1 215 . 1 1 A 32 32 ARG N N 32 117.523 120.395 -2.872 2
1 216 . 1 1 A 33 33 ALA H H 33 7.919 8.279 -0.360 2
1 217 . 1 1 A 33 33 ALA HA H 33 4.248 4.060 0.188 2
1 221 . 1 1 A 33 33 ALA CA C 33 55.007 54.734 0.273 2
1 222 . 1 1 A 33 33 ALA CB C 33 17.601 18.438 -0.837 2
1 223 . 1 1 A 33 33 ALA N N 33 119.982 121.144 -1.162 2
1 224 . 1 1 A 34 34 LYS H H 34 7.212 8.133 -0.921 2
1 225 . 1 1 A 34 34 LYS HA H 34 4.194 4.113 0.081 2
1 234 . 1 1 A 34 34 LYS CA C 34 58.852 59.207 -0.355 2
1 235 . 1 1 A 34 34 LYS CB C 34 31.598 32.091 -0.493 2
1 239 . 1 1 A 34 34 LYS N N 34 119.567 118.586 0.981 2
1 240 . 1 1 A 35 35 HIS H H 35 8.814 8.126 0.688 2
1 241 . 1 1 A 35 35 HIS HA H 35 4.923 4.421 0.502 2
1 244 . 1 1 A 35 35 HIS CA C 35 57.821 59.123 -1.302 2
1 245 . 1 1 A 35 35 HIS CB C 35 29.950 28.951 0.999 2
1 246 . 1 1 A 35 35 HIS N N 35 122.252 117.646 4.606 2
1 247 . 1 1 A 36 36 ASP H H 36 9.292 8.041 1.251 2
1 248 . 1 1 A 36 36 ASP HA H 36 4.454 4.164 0.290 2
1 251 . 1 1 A 36 36 ASP CA C 36 57.305 57.518 -0.213 2
1 252 . 1 1 A 36 36 ASP CB C 36 39.889 41.224 -1.335 2
1 253 . 1 1 A 36 36 ASP N N 36 118.831 121.956 -3.125 2
1 254 . 1 1 A 37 37 GLN H H 37 7.673 8.024 -0.351 2
1 255 . 1 1 A 37 37 GLN HA H 37 4.241 4.079 0.163 2
1 262 . 1 1 A 37 37 GLN CA C 37 59.019 59.239 -0.220 2
1 263 . 1 1 A 37 37 GLN CB C 37 28.315 28.385 -0.070 2
1 265 . 1 1 A 37 37 GLN N N 37 120.072 118.813 1.259 2
1 266 . 1 1 A 38 38 GLN H H 38 8.329 8.021 0.308 2
1 267 . 1 1 A 38 38 GLN HA H 38 4.040 4.216 -0.176 2
1 274 . 1 1 A 38 38 GLN CA C 38 58.734 58.906 -0.172 2
1 275 . 1 1 A 38 38 GLN CB C 38 28.549 28.717 -0.168 2
1 277 . 1 1 A 38 38 GLN N N 38 120.847 119.096 1.751 2
1 279 . 1 1 A 39 39 PHE H H 39 9.453 8.481 0.972 2
1 280 . 1 1 A 39 39 PHE HA H 39 2.811 4.118 -1.307 2
1 286 . 1 1 A 39 39 PHE CA C 39 61.602 61.313 0.289 2
1 287 . 1 1 A 39 39 PHE CB C 39 38.799 38.911 -0.112 2
1 291 . 1 1 A 39 39 PHE N N 39 123.507 122.139 1.368 2
1 292 . 1 1 A 40 40 HIS H H 40 8.096 8.321 -0.225 2
1 293 . 1 1 A 40 40 HIS HA H 40 3.884 4.097 -0.213 2
1 297 . 1 1 A 40 40 HIS CA C 40 59.910 59.953 -0.043 2
1 298 . 1 1 A 40 40 HIS CB C 40 29.558 29.545 0.013 2
1 300 . 1 1 A 40 40 HIS N N 40 114.319 118.406 -4.087 2
1 301 . 1 1 A 41 41 SER H H 41 7.818 8.019 -0.201 2
1 302 . 1 1 A 41 41 SER HA H 41 4.300 4.291 0.009 2
1 305 . 1 1 A 41 41 SER CA C 41 60.851 61.499 -0.648 2
1 306 . 1 1 A 41 41 SER CB C 41 62.612 63.296 -0.684 2
1 307 . 1 1 A 41 41 SER N N 41 116.677 115.235 1.442 2
1 308 . 1 1 A 42 42 LEU H H 42 7.079 7.463 -0.384 2
1 309 . 1 1 A 42 42 LEU HA H 42 4.071 4.189 -0.117 2
1 319 . 1 1 A 42 42 LEU CA C 42 54.685 55.421 -0.736 2
1 320 . 1 1 A 42 42 LEU CB C 42 40.874 42.148 -1.274 2
1 324 . 1 1 A 42 42 LEU N N 42 121.868 119.710 2.158 2
1 325 . 1 1 A 43 43 LYS H H 43 7.345 7.567 -0.222 2
1 326 . 1 1 A 43 43 LYS HA H 43 3.877 3.821 0.056 2
1 335 . 1 1 A 43 43 LYS CA C 43 56.035 56.661 -0.626 2
1 336 . 1 1 A 43 43 LYS CB C 43 28.886 30.474 -1.588 2
1 340 . 1 1 A 43 43 LYS N N 43 110.393 116.764 -6.371 2
1 341 . 1 1 A 44 44 PRO HA H 44 4.239 4.319 -0.080 2
1 348 . 1 1 A 44 44 PRO CA C 44 62.424 62.710 -0.286 2
1 349 . 1 1 A 44 44 PRO CB C 44 32.413 31.971 0.442 2
1 352 . 1 1 A 45 45 ILE H H 45 8.586 8.206 0.380 2
1 353 . 1 1 A 45 45 ILE HA H 45 4.337 3.962 0.375 2
1 363 . 1 1 A 45 45 ILE CA C 45 60.170 62.341 -2.171 2
1 364 . 1 1 A 45 45 ILE CB C 45 39.143 38.024 1.119 2
1 368 . 1 1 A 45 45 ILE N N 45 120.985 122.740 -1.755 2
1 369 . 1 1 A 46 46 SER H H 46 9.512 8.016 1.496 2
1 370 . 1 1 A 46 46 SER HA H 46 4.055 4.461 -0.406 2
1 373 . 1 1 A 46 46 SER CA C 46 58.483 58.628 -0.145 2
1 374 . 1 1 A 46 46 SER CB C 46 62.174 63.520 -1.346 2
1 375 . 1 1 A 46 46 SER N N 46 124.158 116.113 8.045 2
1 376 . 1 1 A 47 47 GLY H H 47 8.555 8.119 0.436 2
1 377 . 1 1 A 47 47 GLY HA2 H 47 4.020 3.926 0.094 2
1 378 . 1 1 A 47 47 GLY HA3 H 47 3.531 4.019 -0.488 2
1 379 . 1 1 A 47 47 GLY CA C 47 44.328 45.592 -1.264 2
1 380 . 1 1 A 47 47 GLY N N 47 162.194 107.930 54.264 2
1 381 . 1 1 A 48 48 PHE H H 48 7.710 7.447 0.263 2
1 382 . 1 1 A 48 48 PHE HA H 48 5.783 5.320 0.463 2
1 387 . 1 1 A 48 48 PHE CA C 48 56.732 56.055 0.677 2
1 388 . 1 1 A 48 48 PHE CB C 48 43.784 42.097 1.687 2
1 391 . 1 1 A 48 48 PHE N N 48 115.641 115.704 -0.063 2
1 392 . 1 1 A 49 49 ILE H H 49 9.141 8.939 0.202 2
1 393 . 1 1 A 49 49 ILE HA H 49 4.908 4.972 -0.064 2
1 403 . 1 1 A 49 49 ILE CA C 49 59.368 59.123 0.245 2
1 404 . 1 1 A 49 49 ILE CB C 49 39.945 41.967 -2.022 2
1 408 . 1 1 A 49 49 ILE N N 49 114.692 116.787 -2.095 2
1 409 . 1 1 A 50 50 THR H H 50 8.700 8.372 0.328 2
1 410 . 1 1 A 50 50 THR HA H 50 4.473 4.849 -0.376 2
1 415 . 1 1 A 50 50 THR CA C 50 60.914 60.091 0.823 2
1 416 . 1 1 A 50 50 THR CB C 50 70.829 71.387 -0.558 2
1 418 . 1 1 A 50 50 THR N N 50 112.658 114.511 -1.853 2
1 419 . 1 1 A 51 51 GLY H H 51 8.778 9.053 -0.275 2
1 420 . 1 1 A 51 51 GLY HA2 H 51 3.790 3.568 0.222 2
1 421 . 1 1 A 51 51 GLY HA3 H 51 3.713 3.675 0.038 2
1 422 . 1 1 A 51 51 GLY CA C 51 48.310 47.265 1.045 2
1 423 . 1 1 A 51 51 GLY N N 51 108.204 112.460 -4.256 2
1 424 . 1 1 A 52 52 ASP H H 52 8.225 8.236 -0.011 2
1 425 . 1 1 A 52 52 ASP HA H 52 4.216 4.195 0.021 2
1 428 . 1 1 A 52 52 ASP CA C 52 57.344 57.164 0.180 2
1 429 . 1 1 A 52 52 ASP CB C 52 40.304 41.341 -1.037 2
1 430 . 1 1 A 52 52 ASP N N 52 119.404 121.540 -2.136 2
1 431 . 1 1 A 53 53 GLN H H 53 7.810 7.786 0.024 2
1 432 . 1 1 A 53 53 GLN HA H 53 3.969 3.987 -0.018 2
1 439 . 1 1 A 53 53 GLN CA C 53 58.673 58.574 0.099 2
1 440 . 1 1 A 53 53 GLN CB C 53 29.794 28.230 1.564 2
1 442 . 1 1 A 53 53 GLN N N 53 118.935 117.903 1.032 2
1 444 . 1 1 A 54 54 ALA H H 54 8.293 8.216 0.077 2
1 445 . 1 1 A 54 54 ALA HA H 54 3.642 3.863 -0.221 2
1 449 . 1 1 A 54 54 ALA CA C 54 55.243 55.022 0.221 2
1 450 . 1 1 A 54 54 ALA CB C 54 19.448 17.900 1.548 2
1 451 . 1 1 A 54 54 ALA N N 54 120.858 122.577 -1.719 2
1 452 . 1 1 A 55 55 ARG H H 55 8.744 7.892 0.852 2
1 453 . 1 1 A 55 55 ARG HA H 55 3.795 3.757 0.038 2
1 460 . 1 1 A 55 55 ARG CA C 55 60.628 59.153 1.475 2
1 461 . 1 1 A 55 55 ARG CB C 55 30.224 29.890 0.334 2
1 464 . 1 1 A 55 55 ARG N N 55 115.211 117.617 -2.406 2
1 465 . 1 1 A 56 56 ASN H H 56 8.056 7.899 0.157 2
1 466 . 1 1 A 56 56 ASN HA H 56 4.470 4.491 -0.021 2
1 471 . 1 1 A 56 56 ASN CA C 56 56.091 56.203 -0.112 2
1 472 . 1 1 A 56 56 ASN CB C 56 38.069 38.917 -0.848 2
1 473 . 1 1 A 56 56 ASN N N 56 116.543 118.065 -1.522 2
1 475 . 1 1 A 57 57 PHE H H 57 7.567 7.941 -0.374 2
1 476 . 1 1 A 57 57 PHE HA H 57 4.517 4.286 0.231 2
1 481 . 1 1 A 57 57 PHE CA C 57 61.373 61.447 -0.073 2
1 482 . 1 1 A 57 57 PHE CB C 57 39.518 39.082 0.436 2
1 485 . 1 1 A 57 57 PHE N N 57 121.111 120.467 0.644 2
1 486 . 1 1 A 58 58 PHE H H 58 8.995 8.165 0.830 2
1 487 . 1 1 A 58 58 PHE HA H 58 4.501 4.363 0.138 2
1 491 . 1 1 A 58 58 PHE CA C 58 57.190 60.927 -3.737 2
1 492 . 1 1 A 58 58 PHE CB C 58 37.236 38.468 -1.232 2
1 494 . 1 1 A 58 58 PHE N N 58 119.594 117.943 1.651 2
1 495 . 1 1 A 59 59 PHE H H 59 8.510 8.446 0.064 2
1 496 . 1 1 A 59 59 PHE HA H 59 4.296 4.186 0.110 2
1 500 . 1 1 A 59 59 PHE CA C 59 60.456 61.397 -0.941 2
1 501 . 1 1 A 59 59 PHE CB C 59 38.914 39.078 -0.164 2
1 503 . 1 1 A 59 59 PHE N N 59 120.834 119.808 1.026 2
1 504 . 1 1 A 60 60 GLN H H 60 7.652 8.308 -0.656 2
1 505 . 1 1 A 60 60 GLN HA H 60 4.056 4.035 0.021 2
1 512 . 1 1 A 60 60 GLN CA C 60 57.133 58.041 -0.908 2
1 513 . 1 1 A 60 60 GLN CB C 60 27.771 28.315 -0.544 2
1 515 . 1 1 A 60 60 GLN N N 60 116.464 118.307 -1.843 2
1 517 . 1 1 A 61 61 SER H H 61 7.823 7.475 0.348 2
1 518 . 1 1 A 61 61 SER HA H 61 3.985 4.342 -0.357 2
1 521 . 1 1 A 61 61 SER CA C 61 60.571 58.737 1.834 2
1 522 . 1 1 A 61 61 SER CB C 61 65.277 63.736 1.541 2
1 523 . 1 1 A 61 61 SER N N 61 113.448 112.509 0.939 2
1 524 . 1 1 A 62 62 GLY H H 62 7.478 8.103 -0.625 2
1 525 . 1 1 A 62 62 GLY HA2 H 62 4.115 3.789 0.326 2
1 526 . 1 1 A 62 62 GLY HA3 H 62 3.699 3.872 -0.173 2
1 527 . 1 1 A 62 62 GLY CA C 62 45.445 45.577 -0.132 2
1 528 . 1 1 A 62 62 GLY N N 62 108.189 109.835 -1.646 2
1 529 . 1 1 A 63 63 LEU H H 63 7.282 7.689 -0.407 2
1 530 . 1 1 A 63 63 LEU HA H 63 4.471 4.677 -0.206 2
1 540 . 1 1 A 63 63 LEU CA C 63 52.971 51.842 1.129 2
1 541 . 1 1 A 63 63 LEU CB C 63 41.597 42.993 -1.396 2
1 545 . 1 1 A 63 63 LEU N N 63 120.356 121.329 -0.973 2
1 546 . 1 1 A 64 64 PRO HA H 64 4.559 4.649 -0.089 2
1 553 . 1 1 A 64 64 PRO CA C 64 63.039 62.666 0.372 2
1 554 . 1 1 A 64 64 PRO CB C 64 33.402 32.736 0.666 2
1 557 . 1 1 A 65 65 GLN H H 65 9.289 8.841 0.448 2
1 558 . 1 1 A 65 65 GLN HA H 65 4.194 4.154 0.040 2
1 563 . 1 1 A 65 65 GLN CA C 65 61.180 60.372 0.808 2
1 564 . 1 1 A 65 65 GLN CB C 65 25.845 27.738 -1.893 2
1 566 . 1 1 A 65 65 GLN N N 65 122.729 122.492 0.237 2
1 567 . 1 1 A 66 66 PRO HA H 66 4.399 4.399 0.000 2
1 574 . 1 1 A 66 66 PRO CA C 66 65.956 65.615 0.341 2
1 575 . 1 1 A 66 66 PRO CB C 66 30.665 31.029 -0.364 2
1 578 . 1 1 A 67 67 VAL H H 67 6.875 7.186 -0.311 2
1 579 . 1 1 A 67 67 VAL HA H 67 3.930 3.841 0.089 2
1 587 . 1 1 A 67 67 VAL CA C 67 64.811 65.218 -0.407 2
1 588 . 1 1 A 67 67 VAL CB C 67 31.581 31.531 0.050 2
1 591 . 1 1 A 67 67 VAL N N 67 117.350 116.534 0.816 2
1 592 . 1 1 A 68 68 LEU H H 68 7.965 8.321 -0.356 2
1 593 . 1 1 A 68 68 LEU HA H 68 3.955 3.973 -0.018 2
1 603 . 1 1 A 68 68 LEU CA C 68 57.878 57.892 -0.014 2
1 604 . 1 1 A 68 68 LEU CB C 68 40.821 41.761 -0.940 2
1 608 . 1 1 A 68 68 LEU N N 68 119.980 119.846 0.134 2
1 609 . 1 1 A 69 69 ALA H H 69 8.577 8.861 -0.284 2
1 610 . 1 1 A 69 69 ALA HA H 69 4.375 4.203 0.172 2
1 614 . 1 1 A 69 69 ALA CA C 69 55.128 55.127 0.001 2
1 615 . 1 1 A 69 69 ALA CB C 69 17.533 18.297 -0.764 2
1 616 . 1 1 A 69 69 ALA N N 69 122.731 121.164 1.567 2
1 617 . 1 1 A 70 70 GLN H H 70 7.534 7.854 -0.320 2
1 618 . 1 1 A 70 70 GLN HA H 70 4.190 4.050 0.140 2
1 625 . 1 1 A 70 70 GLN CA C 70 58.623 59.001 -0.378 2
1 626 . 1 1 A 70 70 GLN CB C 70 28.349 28.346 0.003 2
1 628 . 1 1 A 70 70 GLN N N 70 120.846 117.714 3.132 2
1 630 . 1 1 A 71 71 ILE H H 71 8.170 7.807 0.363 2
1 631 . 1 1 A 71 71 ILE HA H 71 3.455 3.713 -0.258 2
1 641 . 1 1 A 71 71 ILE CA C 71 66.530 65.266 1.264 2
1 642 . 1 1 A 71 71 ILE CB C 71 37.768 37.643 0.125 2
1 646 . 1 1 A 71 71 ILE N N 71 120.351 119.793 0.558 2
1 647 . 1 1 A 72 72 TRP H H 72 8.473 8.247 0.226 2
1 648 . 1 1 A 72 72 TRP HA H 72 3.845 4.337 -0.492 2
1 657 . 1 1 A 72 72 TRP CA C 72 61.144 61.230 -0.086 2
1 658 . 1 1 A 72 72 TRP CB C 72 28.496 29.271 -0.775 2
1 664 . 1 1 A 72 72 TRP N N 72 119.417 121.806 -2.389 2
1 666 . 1 1 A 73 73 ALA H H 73 7.647 8.460 -0.813 2
1 667 . 1 1 A 73 73 ALA HA H 73 4.012 3.863 0.149 2
1 671 . 1 1 A 73 73 ALA CA C 73 54.154 54.692 -0.538 2
1 672 . 1 1 A 73 73 ALA CB C 73 18.059 18.190 -0.131 2
1 673 . 1 1 A 73 73 ALA N N 73 116.148 121.509 -5.361 2
1 674 . 1 1 A 74 74 LEU H H 74 7.493 7.713 -0.220 2
1 675 . 1 1 A 74 74 LEU HA H 74 3.947 4.123 -0.176 2
1 685 . 1 1 A 74 74 LEU CA C 74 56.478 57.377 -0.899 2
1 686 . 1 1 A 74 74 LEU CB C 74 43.726 41.822 1.904 2
1 690 . 1 1 A 74 74 LEU N N 74 115.647 118.865 -3.218 2
1 691 . 1 1 A 75 75 ALA H H 75 7.952 8.031 -0.079 2
1 692 . 1 1 A 75 75 ALA HA H 75 4.019 4.188 -0.169 2
1 696 . 1 1 A 75 75 ALA CA C 75 53.982 55.305 -1.323 2
1 697 . 1 1 A 75 75 ALA CB C 75 19.913 18.879 1.034 2
1 698 . 1 1 A 75 75 ALA N N 75 118.000 120.988 -2.988 2
1 699 . 1 1 A 76 76 ASP H H 76 7.798 8.048 -0.250 2
1 700 . 1 1 A 76 76 ASP HA H 76 4.587 4.708 -0.121 2
1 703 . 1 1 A 76 76 ASP CA C 76 51.849 53.441 -1.592 2
1 704 . 1 1 A 76 76 ASP CB C 76 36.265 39.887 -3.622 2
1 705 . 1 1 A 76 76 ASP N N 76 114.297 115.610 -1.313 2
1 706 . 1 1 A 77 77 MET H H 77 8.077 8.210 -0.133 2
1 707 . 1 1 A 77 77 MET HA H 77 3.867 4.079 -0.212 2
1 715 . 1 1 A 77 77 MET CA C 77 59.024 58.477 0.547 2
1 716 . 1 1 A 77 77 MET CB C 77 34.550 32.114 2.436 2
1 719 . 1 1 A 77 77 MET N N 77 123.959 124.016 -0.057 2
1 720 . 1 1 A 78 78 ASN H H 78 7.801 7.895 -0.094 2
1 721 . 1 1 A 78 78 ASN HA H 78 4.839 4.718 0.121 2
1 726 . 1 1 A 78 78 ASN CA C 78 50.889 53.408 -2.519 2
1 727 . 1 1 A 78 78 ASN CB C 78 37.028 38.651 -1.623 2
1 728 . 1 1 A 78 78 ASN N N 78 112.247 116.231 -3.984 2
1 730 . 1 1 A 79 79 ASN H H 79 8.019 8.353 -0.334 2
1 731 . 1 1 A 79 79 ASN HA H 79 4.380 4.617 -0.237 2
1 736 . 1 1 A 79 79 ASN CA C 79 54.319 53.869 0.450 2
1 737 . 1 1 A 79 79 ASN CB C 79 37.867 36.749 1.118 2
1 738 . 1 1 A 79 79 ASN N N 79 116.050 117.170 -1.120 2
1 740 . 1 1 A 80 80 ASP H H 80 8.019 8.219 -0.200 2
1 741 . 1 1 A 80 80 ASP HA H 80 4.784 4.693 0.091 2
1 744 . 1 1 A 80 80 ASP CA C 80 52.672 54.232 -1.560 2
1 745 . 1 1 A 80 80 ASP CB C 80 41.585 41.620 -0.035 2
1 746 . 1 1 A 80 80 ASP N N 80 115.620 121.962 -6.342 2
1 747 . 1 1 A 81 81 GLY H H 81 10.345 8.149 2.196 2
1 748 . 1 1 A 81 81 GLY HA2 H 81 4.339 4.129 0.210 2
1 749 . 1 1 A 81 81 GLY HA3 H 81 4.044 4.340 -0.296 2
1 750 . 1 1 A 81 81 GLY CA C 81 46.560 45.976 0.584 2
1 751 . 1 1 A 81 81 GLY N N 81 112.191 107.383 4.808 2
1 752 . 1 1 A 82 82 ARG H H 82 8.365 8.213 0.153 2
1 753 . 1 1 A 82 82 ARG HA H 82 5.105 4.618 0.487 2
1 760 . 1 1 A 82 82 ARG CA C 82 53.982 56.180 -2.198 2
1 761 . 1 1 A 82 82 ARG CB C 82 33.303 32.471 0.832 2
1 764 . 1 1 A 82 82 ARG N N 82 117.518 118.688 -1.170 2
1 765 . 1 1 A 83 83 MET H H 83 9.038 8.255 0.783 2
1 766 . 1 1 A 83 83 MET HA H 83 6.142 4.443 1.699 2
1 774 . 1 1 A 83 83 MET CA C 83 55.586 56.215 -0.629 2
1 775 . 1 1 A 83 83 MET CB C 83 38.610 31.566 7.044 2
1 778 . 1 1 A 83 83 MET N N 83 120.510 118.840 1.670 2
1 779 . 1 1 A 84 84 ASP H H 84 7.586 8.516 -0.930 2
1 780 . 1 1 A 84 84 ASP HA H 84 5.259 4.891 0.368 2
1 783 . 1 1 A 84 84 ASP CA C 84 51.182 53.187 -2.005 2
1 784 . 1 1 A 84 84 ASP CB C 84 42.047 42.685 -0.638 2
1 785 . 1 1 A 84 84 ASP N N 84 122.321 124.173 -1.852 2
1 786 . 1 1 A 85 85 GLN H H 85 7.988 8.724 -0.736 2
1 787 . 1 1 A 85 85 GLN HA H 85 2.609 3.955 -1.347 2
1 794 . 1 1 A 85 85 GLN CA C 85 58.909 58.697 0.212 2
1 795 . 1 1 A 85 85 GLN CB C 85 29.346 28.073 1.273 2
1 797 . 1 1 A 85 85 GLN N N 85 115.617 122.781 -7.164 2
1 799 . 1 1 A 86 86 VAL H H 86 7.357 7.945 -0.588 2
1 800 . 1 1 A 86 86 VAL HA H 86 3.557 3.552 0.005 2
1 808 . 1 1 A 86 86 VAL CA C 86 66.117 66.188 -0.071 2
1 809 . 1 1 A 86 86 VAL CB C 86 31.538 31.668 -0.130 2
1 812 . 1 1 A 86 86 VAL N N 86 120.551 120.570 -0.019 2
1 813 . 1 1 A 87 87 GLU H H 87 8.375 8.229 0.146 2
1 814 . 1 1 A 87 87 GLU HA H 87 3.908 4.094 -0.186 2
1 819 . 1 1 A 87 87 GLU CA C 87 59.424 59.543 -0.119 2
1 820 . 1 1 A 87 87 GLU CB C 87 31.466 29.427 2.039 2
1 822 . 1 1 A 87 87 GLU N N 87 119.417 119.805 -0.388 2
1 823 . 1 1 A 88 88 PHE H H 88 8.482 8.873 -0.391 2
1 824 . 1 1 A 88 88 PHE HA H 88 4.427 4.216 0.211 2
1 828 . 1 1 A 88 88 PHE CA C 88 62.061 61.307 0.754 2
1 829 . 1 1 A 88 88 PHE CB C 88 40.726 39.118 1.608 2
1 831 . 1 1 A 88 88 PHE N N 88 117.094 122.296 -5.202 2
1 832 . 1 1 A 89 89 SER H H 89 7.490 8.039 -0.549 2
1 833 . 1 1 A 89 89 SER HA H 89 4.763 4.113 0.650 2
1 836 . 1 1 A 89 89 SER CA C 89 59.783 61.412 -1.629 2
1 837 . 1 1 A 89 89 SER CB C 89 59.544 62.986 -3.442 2
1 838 . 1 1 A 89 89 SER N N 89 113.424 114.133 -0.709 2
1 839 . 1 1 A 90 90 ILE H H 90 8.034 7.709 0.325 2
1 840 . 1 1 A 90 90 ILE HA H 90 3.506 4.056 -0.550 2
1 850 . 1 1 A 90 90 ILE CA C 90 66.098 63.141 2.957 2
1 851 . 1 1 A 90 90 ILE CB C 90 37.905 38.501 -0.596 2
1 855 . 1 1 A 90 90 ILE N N 90 118.472 121.126 -2.654 2
1 856 . 1 1 A 91 91 ALA H H 91 8.197 7.876 0.321 2
1 857 . 1 1 A 91 91 ALA HA H 91 4.286 4.122 0.164 2
1 861 . 1 1 A 91 91 ALA CA C 91 52.435 54.779 -2.344 2
1 862 . 1 1 A 91 91 ALA CB C 91 19.091 18.341 0.750 2
1 863 . 1 1 A 91 91 ALA N N 91 119.275 124.089 -4.814 2
1 864 . 1 1 A 92 92 MET H H 92 8.183 7.843 0.340 2
1 865 . 1 1 A 92 92 MET HA H 92 4.268 4.083 0.185 2
1 870 . 1 1 A 92 92 MET CA C 92 55.643 57.834 -2.191 2
1 871 . 1 1 A 92 92 MET CB C 92 29.521 32.023 -2.502 2
1 873 . 1 1 A 92 92 MET N N 92 118.681 116.451 2.230 2
1 874 . 1 1 A 93 93 LYS H H 93 8.172 7.812 0.360 2
1 875 . 1 1 A 93 93 LYS HA H 93 4.006 4.130 -0.124 2
1 878 . 1 1 A 93 93 LYS CA C 93 56.840 58.795 -1.955 2
1 879 . 1 1 A 93 93 LYS CB C 93 32.830 32.308 0.522 2
1 880 . 1 1 A 93 93 LYS N N 93 120.362 119.298 1.064 2
1 881 . 1 1 A 94 94 LEU H H 94 8.017 7.827 0.190 2
1 882 . 1 1 A 94 94 LEU HA H 94 3.884 4.084 -0.200 2
1 892 . 1 1 A 94 94 LEU CA C 94 58.234 58.004 0.230 2
1 893 . 1 1 A 94 94 LEU CB C 94 42.050 41.643 0.407 2
1 897 . 1 1 A 94 94 LEU N N 94 114.192 120.325 -6.133 2
1 898 . 1 1 A 95 95 ILE H H 95 8.377 7.904 0.473 2
1 899 . 1 1 A 95 95 ILE HA H 95 3.254 3.480 -0.226 2
1 909 . 1 1 A 95 95 ILE CA C 95 66.013 65.815 0.198 2
1 910 . 1 1 A 95 95 ILE CB C 95 38.284 37.847 0.437 2
1 914 . 1 1 A 95 95 ILE N N 95 118.949 119.926 -0.977 2
1 915 . 1 1 A 96 96 LYS H H 96 7.751 7.848 -0.097 2
1 916 . 1 1 A 96 96 LYS HA H 96 3.928 4.022 -0.094 2
1 925 . 1 1 A 96 96 LYS CA C 96 59.701 59.762 -0.061 2
1 926 . 1 1 A 96 96 LYS CB C 96 32.286 31.989 0.297 2
1 930 . 1 1 A 96 96 LYS N N 96 119.637 120.756 -1.119 2
1 931 . 1 1 A 97 97 LEU H H 97 8.382 7.973 0.409 2
1 932 . 1 1 A 97 97 LEU HA H 97 4.006 4.055 -0.049 2
1 942 . 1 1 A 97 97 LEU CA C 97 57.363 57.377 -0.014 2
1 943 . 1 1 A 97 97 LEU CB C 97 40.459 41.482 -1.023 2
1 947 . 1 1 A 97 97 LEU N N 97 117.727 120.326 -2.599 2
1 948 . 1 1 A 98 98 LYS H H 98 8.761 8.344 0.417 2
1 949 . 1 1 A 98 98 LYS HA H 98 4.548 4.255 0.293 2
1 958 . 1 1 A 98 98 LYS CA C 98 57.477 59.413 -1.936 2
1 959 . 1 1 A 98 98 LYS CB C 98 31.294 32.017 -0.723 2
1 963 . 1 1 A 98 98 LYS N N 98 122.255 119.396 2.859 2
1 964 . 1 1 A 99 99 LEU H H 99 8.798 8.217 0.581 2
1 965 . 1 1 A 99 99 LEU HA H 99 4.100 4.059 0.041 2
1 975 . 1 1 A 99 99 LEU CA C 99 57.878 57.093 0.785 2
1 976 . 1 1 A 99 99 LEU CB C 99 41.605 41.270 0.335 2
1 980 . 1 1 A 99 99 LEU N N 99 122.214 119.826 2.388 2
1 981 . 1 1 A 100 100 GLN H H 100 7.749 7.608 0.141 2
1 982 . 1 1 A 100 100 GLN HA H 100 4.285 4.355 -0.070 2
1 989 . 1 1 A 100 100 GLN CA C 100 56.503 55.891 0.612 2
1 990 . 1 1 A 100 100 GLN CB C 100 29.576 29.304 0.272 2
1 992 . 1 1 A 100 100 GLN N N 100 116.914 116.810 0.104 2
1 993 . 1 1 A 101 101 GLY H H 101 7.910 8.004 -0.094 2
1 994 . 1 1 A 101 101 GLY HA2 H 101 4.262 3.872 0.390 2
1 995 . 1 1 A 101 101 GLY HA3 H 101 3.661 3.944 -0.283 2
1 996 . 1 1 A 101 101 GLY CA C 101 44.884 45.741 -0.857 2
1 997 . 1 1 A 101 101 GLY N N 101 106.044 107.757 -1.713 2
1 998 . 1 1 A 102 102 TYR H H 102 8.078 7.887 0.191 2
1 999 . 1 1 A 102 102 TYR HA H 102 4.311 4.865 -0.554 2
1 1006 . 1 1 A 102 102 TYR CA C 102 59.253 57.383 1.870 2
1 1007 . 1 1 A 102 102 TYR CB C 102 37.849 41.516 -3.667 2
1 1010 . 1 1 A 102 102 TYR N N 102 120.876 118.958 1.918 2
1 1011 . 1 1 A 103 103 GLN H H 103 8.610 8.957 -0.347 2
1 1012 . 1 1 A 103 103 GLN HA H 103 4.280 5.002 -0.722 2
1 1015 . 1 1 A 103 103 GLN CA C 103 56.620 55.102 1.518 2
1 1016 . 1 1 A 103 103 GLN CB C 103 29.100 32.022 -2.922 2
1 1017 . 1 1 A 103 103 GLN N N 103 119.785 120.040 -0.255 2
1 1018 . 1 1 A 105 105 PRO HA H 105 4.631 4.697 -0.066 2
1 1025 . 1 1 A 105 105 PRO CA C 105 61.602 62.236 -0.634 2
1 1026 . 1 1 A 105 105 PRO CB C 105 31.690 33.272 -1.582 2
1 1029 . 1 1 A 106 106 SER H H 106 8.485 8.617 -0.132 2
1 1030 . 1 1 A 106 106 SER HA H 106 4.183 4.354 -0.171 2
1 1033 . 1 1 A 106 106 SER CA C 106 59.525 59.106 0.419 2
1 1034 . 1 1 A 106 106 SER CB C 106 63.078 63.419 -0.341 2
1 1035 . 1 1 A 106 106 SER N N 106 112.361 114.473 -2.112 2
1 1036 . 1 1 A 107 107 ALA H H 107 7.410 7.503 -0.093 2
1 1037 . 1 1 A 107 107 ALA HA H 107 4.308 4.567 -0.259 2
1 1041 . 1 1 A 107 107 ALA CA C 107 50.086 50.841 -0.755 2
1 1042 . 1 1 A 107 107 ALA CB C 107 21.253 20.182 1.071 2
1 1043 . 1 1 A 107 107 ALA N N 107 121.311 123.876 -2.565 2
1 1044 . 1 1 A 108 108 LEU H H 108 8.915 8.643 0.272 2
1 1045 . 1 1 A 108 108 LEU HA H 108 4.020 4.558 -0.538 2
1 1055 . 1 1 A 108 108 LEU CA C 108 52.990 52.982 0.008 2
1 1056 . 1 1 A 108 108 LEU CB C 108 42.041 41.755 0.286 2
1 1060 . 1 1 A 108 108 LEU N N 108 122.607 123.999 -1.392 2
1 1061 . 1 1 A 110 110 PRO HA H 110 4.024 4.333 -0.309 2
1 1068 . 1 1 A 110 110 PRO CA C 110 65.440 64.729 0.711 2
1 1069 . 1 1 A 110 110 PRO CB C 110 31.638 31.864 -0.226 2
1 1072 . 1 1 A 111 111 VAL H H 111 8.118 7.392 0.726 2
1 1073 . 1 1 A 111 111 VAL HA H 111 3.986 3.885 0.101 2
1 1081 . 1 1 A 111 111 VAL CA C 111 63.779 65.047 -1.268 2
1 1082 . 1 1 A 111 111 VAL CB C 111 31.065 31.371 -0.306 2
1 1085 . 1 1 A 111 111 VAL N N 111 115.605 116.409 -0.804 2
1 1086 . 1 1 A 112 112 MET H H 112 7.908 7.795 0.113 2
1 1087 . 1 1 A 112 112 MET HA H 112 4.160 4.358 -0.198 2
1 1095 . 1 1 A 112 112 MET CA C 112 59.098 58.023 1.075 2
1 1096 . 1 1 A 112 112 MET CB C 112 34.024 32.689 1.335 2
1 1099 . 1 1 A 112 112 MET N N 112 118.943 118.533 0.410 2
1 1100 . 1 1 A 113 113 LYS H H 113 7.330 7.596 -0.266 2
1 1101 . 1 1 A 113 113 LYS HA H 113 4.182 4.233 -0.051 2
1 1110 . 1 1 A 113 113 LYS CA C 113 55.987 57.871 -1.884 2
1 1111 . 1 1 A 113 113 LYS CB C 113 32.841 32.606 0.235 2
1 1115 . 1 1 A 113 113 LYS N N 113 112.617 116.492 -3.875 2
1 1116 . 1 1 A 114 114 GLN H H 114 7.114 7.858 -0.744 2
1 1117 . 1 1 A 114 114 GLN HA H 114 4.309 4.239 0.070 2
1 1124 . 1 1 A 114 114 GLN CA C 114 54.956 57.918 -2.962 2
1 1125 . 1 1 A 114 114 GLN CB C 114 29.241 27.429 1.812 2
1 1127 . 1 1 A 114 114 GLN N N 114 117.852 115.847 2.005 2
1 1129 . 1 1 A 115 115 GLN H H 115 8.556 8.433 0.123 2
1 1130 . 1 1 A 115 115 GLN HA H 115 4.501 4.616 -0.115 2
1 1137 . 1 1 A 115 115 GLN CA C 115 53.858 53.732 0.126 2
1 1138 . 1 1 A 115 115 GLN CB C 115 28.234 29.671 -1.437 2
1 1140 . 1 1 A 115 115 GLN N N 115 123.195 121.304 1.891 2
1 1142 . 1 1 A 116 116 PRO HA H 116 4.530 4.568 -0.038 2
1 1149 . 1 1 A 116 116 PRO CA C 116 63.050 62.673 0.377 2
1 1150 . 1 1 A 116 116 PRO CB C 116 31.953 31.881 0.072 2
1 1153 . 1 1 A 117 117 VAL H H 117 8.345 8.247 0.098 2
1 1154 . 1 1 A 117 117 VAL HA H 117 4.167 4.372 -0.205 2
1 1162 . 1 1 A 117 117 VAL CA C 117 61.258 60.933 0.325 2
1 1163 . 1 1 A 117 117 VAL CB C 117 33.724 32.920 0.804 2
1 1166 . 1 1 A 117 117 VAL N N 117 120.361 118.603 1.758 2
1 1167 . 1 1 A 118 118 ALA H H 118 8.470 8.590 -0.120 2
1 1168 . 1 1 A 118 118 ALA HA H 118 4.452 4.484 -0.032 2
1 1172 . 1 1 A 118 118 ALA CA C 118 51.678 51.984 -0.306 2
1 1173 . 1 1 A 118 118 ALA CB C 118 19.260 19.709 -0.449 2
1 1174 . 1 1 A 118 118 ALA N N 118 128.412 126.683 1.729 2
1 1175 . 1 1 A 119 119 ILE H H 119 8.250 8.185 0.065 2
1 1176 . 1 1 A 119 119 ILE HA H 119 4.240 4.330 -0.090 2
1 1186 . 1 1 A 119 119 ILE CA C 119 60.743 61.551 -0.808 2
1 1187 . 1 1 A 119 119 ILE CB C 119 38.914 38.418 0.496 2
1 1191 . 1 1 A 119 119 ILE N N 119 120.929 121.778 -0.849 2
1 1192 . 1 1 A 120 120 SER H H 120 8.413 8.523 -0.110 2
1 1193 . 1 1 A 120 120 SER HA H 120 4.543 4.843 -0.300 2
1 1196 . 1 1 A 120 120 SER CA C 120 57.878 58.046 -0.168 2
1 1197 . 1 1 A 120 120 SER CB C 120 63.951 65.125 -1.174 2
1 1198 . 1 1 A 120 120 SER N N 120 120.494 121.534 -1.040 2
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