data_10142_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10142
_Entry.PDB_ID 2E9I
_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 7 7 GLY CA C 7 45.415 45.090 0.325 1
1 2 . 1 1 1 A 7 7 GLY HA3 H 7 3.972 4.068 -0.096 1
1 3 . 1 1 1 A 7 7 GLY C C 7 174.102 173.572 0.530 1
1 4 . 1 1 1 A 7 7 GLY HA2 H 7 3.972 4.068 -0.096 1
1 5 . 1 1 1 A 8 8 ARG N N 8 120.724 124.096 -3.372 1
1 6 . 1 1 1 A 8 8 ARG H H 8 8.124 8.386 -0.262 1
1 7 . 1 1 1 A 8 8 ARG CA C 8 56.123 53.927 2.196 1
1 8 . 1 1 1 A 8 8 ARG HA H 8 4.363 4.890 -0.527 1
1 9 . 1 1 1 A 8 8 ARG CB C 8 30.881 34.606 -3.725 1
1 15 . 1 1 1 A 8 8 ARG C C 8 176.487 174.942 1.545 1
1 19 . 1 1 1 A 9 9 VAL N N 9 121.839 124.208 -2.369 1
1 20 . 1 1 1 A 9 9 VAL H H 9 8.204 8.338 -0.134 1
1 21 . 1 1 1 A 9 9 VAL CA C 9 62.438 62.596 -0.158 1
1 22 . 1 1 1 A 9 9 VAL HA H 9 4.081 4.037 0.044 1
1 23 . 1 1 1 A 9 9 VAL CB C 9 32.773 32.839 -0.066 1
1 33 . 1 1 1 A 9 9 VAL C C 9 176.204 174.998 1.206 1
1 34 . 1 1 1 A 10 10 LYS N N 10 125.552 124.200 1.352 1
1 35 . 1 1 1 A 10 10 LYS H H 10 8.437 8.355 0.082 1
1 36 . 1 1 1 A 10 10 LYS CA C 10 56.575 56.096 0.479 1
1 37 . 1 1 1 A 10 10 LYS HA H 10 4.280 4.386 -0.106 1
1 38 . 1 1 1 A 10 10 LYS CB C 10 33.046 33.295 -0.249 1
1 46 . 1 1 1 A 10 10 LYS C C 10 176.486 176.667 -0.181 1
1 51 . 1 1 1 A 11 11 GLU N N 11 122.741 118.141 4.600 1
1 52 . 1 1 1 A 11 11 GLU H H 11 8.490 8.827 -0.337 1
1 53 . 1 1 1 A 11 11 GLU CA C 11 56.717 56.858 -0.141 1
1 54 . 1 1 1 A 11 11 GLU HA H 11 4.303 4.650 -0.347 1
1 55 . 1 1 1 A 11 11 GLU CB C 11 30.422 31.634 -1.212 1
1 59 . 1 1 1 A 11 11 GLU C C 11 176.428 176.484 -0.056 1
1 62 . 1 1 1 A 12 12 SER N N 12 117.227 111.946 5.281 1
1 63 . 1 1 1 A 12 12 SER H H 12 8.434 7.934 0.500 1
1 64 . 1 1 1 A 12 12 SER CA C 12 58.340 57.569 0.771 1
1 65 . 1 1 1 A 12 12 SER HA H 12 4.477 4.880 -0.403 1
1 66 . 1 1 1 A 12 12 SER CB C 12 63.670 65.343 -1.673 1
1 68 . 1 1 1 A 12 12 SER C C 12 174.574 172.814 1.760 1
1 70 . 1 1 1 A 13 13 ILE N N 13 122.704 126.506 -3.802 1
1 71 . 1 1 1 A 13 13 ILE H H 13 8.189 9.178 -0.989 1
1 72 . 1 1 1 A 13 13 ILE CA C 13 61.364 60.259 1.105 1
1 73 . 1 1 1 A 13 13 ILE HA H 13 4.270 4.691 -0.421 1
1 74 . 1 1 1 A 13 13 ILE CB C 13 38.870 39.062 -0.192 1
1 86 . 1 1 1 A 13 13 ILE C C 13 176.445 175.194 1.251 1
1 88 . 1 1 1 A 14 14 THR N N 14 118.671 123.575 -4.904 1
1 89 . 1 1 1 A 14 14 THR H H 14 8.265 8.810 -0.545 1
1 90 . 1 1 1 A 14 14 THR CA C 14 62.080 62.366 -0.286 1
1 91 . 1 1 1 A 14 14 THR HA H 14 4.338 4.674 -0.336 1
1 92 . 1 1 1 A 14 14 THR CB C 14 69.779 69.572 0.207 1
1 98 . 1 1 1 A 14 14 THR C C 14 174.465 174.043 0.422 1
1 99 . 1 1 1 A 15 15 ARG N N 15 124.132 127.186 -3.054 1
1 100 . 1 1 1 A 15 15 ARG H H 15 8.428 8.308 0.120 1
1 101 . 1 1 1 A 15 15 ARG CA C 15 56.221 53.769 2.452 1
1 102 . 1 1 1 A 15 15 ARG HA H 15 4.447 4.820 -0.373 1
1 103 . 1 1 1 A 15 15 ARG CB C 15 30.949 33.518 -2.569 1
1 109 . 1 1 1 A 15 15 ARG C C 15 176.374 176.337 0.037 1
1 113 . 1 1 1 A 16 16 THR N N 16 115.339 115.309 0.030 1
1 114 . 1 1 1 A 16 16 THR H H 16 8.232 8.347 -0.115 1
1 115 . 1 1 1 A 16 16 THR CA C 16 61.828 63.005 -1.177 1
1 116 . 1 1 1 A 16 16 THR HA H 16 4.389 4.479 -0.090 1
1 117 . 1 1 1 A 16 16 THR CB C 16 69.896 70.045 -0.149 1
1 123 . 1 1 1 A 16 16 THR C C 16 174.518 175.285 -0.767 1
1 124 . 1 1 1 A 17 17 SER N N 17 118.278 117.071 1.207 1
1 125 . 1 1 1 A 17 17 SER H H 17 8.331 8.171 0.160 1
1 126 . 1 1 1 A 17 17 SER CA C 17 58.326 59.394 -1.068 1
1 127 . 1 1 1 A 17 17 SER HA H 17 4.500 4.072 0.428 1
1 128 . 1 1 1 A 17 17 SER CB C 17 63.918 61.833 2.085 1
1 130 . 1 1 1 A 17 17 SER C C 17 174.172 173.051 1.121 1
1 132 . 1 1 1 A 18 18 ARG N N 18 122.935 119.940 2.995 1
1 133 . 1 1 1 A 18 18 ARG H H 18 8.376 7.258 1.118 1
1 134 . 1 1 1 A 18 18 ARG CA C 18 55.772 54.752 1.020 1
1 135 . 1 1 1 A 18 18 ARG HA H 18 4.386 4.855 -0.469 1
1 136 . 1 1 1 A 18 18 ARG CB C 18 31.073 32.679 -1.606 1
1 142 . 1 1 1 A 18 18 ARG C C 18 175.493 174.799 0.694 1
1 146 . 1 1 1 A 19 19 ALA N N 19 126.804 125.575 1.229 1
1 147 . 1 1 1 A 19 19 ALA H H 19 8.357 8.547 -0.190 1
1 148 . 1 1 1 A 19 19 ALA CA C 19 50.553 50.066 0.487 1
1 149 . 1 1 1 A 19 19 ALA HA H 19 4.585 4.849 -0.264 1
1 150 . 1 1 1 A 19 19 ALA CB C 19 18.208 19.506 -1.298 1
1 154 . 1 1 1 A 19 19 ALA C C 19 175.408 177.370 -1.962 1
1 155 . 1 1 1 A 20 20 PRO CA C 20 63.352 64.009 -0.657 1
1 156 . 1 1 1 A 20 20 PRO HA H 20 4.455 4.434 0.021 1
1 157 . 1 1 1 A 20 20 PRO CB C 20 32.196 31.759 0.437 1
1 163 . 1 1 1 A 20 20 PRO C C 20 176.846 175.675 1.171 1
1 167 . 1 1 1 A 21 21 SER N N 21 116.414 111.856 4.558 1
1 168 . 1 1 1 A 21 21 SER H H 21 8.449 7.552 0.897 1
1 169 . 1 1 1 A 21 21 SER CA C 21 58.507 56.860 1.647 1
1 170 . 1 1 1 A 21 21 SER HA H 21 4.475 4.626 -0.151 1
1 171 . 1 1 1 A 21 21 SER CB C 21 63.851 64.806 -0.955 1
1 173 . 1 1 1 A 21 21 SER C C 21 174.344 172.510 1.834 1
1 175 . 1 1 1 A 22 22 VAL N N 22 120.580 119.671 0.909 1
1 176 . 1 1 1 A 22 22 VAL H H 22 8.110 8.504 -0.394 1
1 177 . 1 1 1 A 22 22 VAL CA C 22 61.788 59.990 1.798 1
1 178 . 1 1 1 A 22 22 VAL HA H 22 4.293 4.861 -0.568 1
1 179 . 1 1 1 A 22 22 VAL CB C 22 33.445 33.393 0.052 1
1 189 . 1 1 1 A 22 22 VAL C C 22 175.160 174.167 0.993 1
1 190 . 1 1 1 A 23 23 ALA N N 23 127.788 126.630 1.158 1
1 191 . 1 1 1 A 23 23 ALA H H 23 8.428 8.987 -0.559 1
1 192 . 1 1 1 A 23 23 ALA CA C 23 51.790 49.798 1.992 1
1 193 . 1 1 1 A 23 23 ALA HA H 23 4.594 5.260 -0.666 1
1 194 . 1 1 1 A 23 23 ALA CB C 23 21.050 20.983 0.067 1
1 198 . 1 1 1 A 23 23 ALA C C 23 176.198 176.190 0.008 1
1 199 . 1 1 1 A 24 24 THR N N 24 115.139 117.897 -2.758 1
1 200 . 1 1 1 A 24 24 THR H H 24 8.338 8.758 -0.420 1
1 201 . 1 1 1 A 24 24 THR CA C 24 60.519 59.750 0.769 1
1 202 . 1 1 1 A 24 24 THR HA H 24 4.674 4.803 -0.129 1
1 203 . 1 1 1 A 24 24 THR CB C 24 72.048 70.851 1.197 1
1 209 . 1 1 1 A 24 24 THR C C 24 173.979 172.400 1.579 1
1 210 . 1 1 1 A 25 25 VAL N N 25 122.772 121.921 0.851 1
1 211 . 1 1 1 A 25 25 VAL H H 25 8.002 8.754 -0.752 1
1 212 . 1 1 1 A 25 25 VAL CA C 25 64.582 59.810 4.772 1
1 213 . 1 1 1 A 25 25 VAL HA H 25 3.280 4.665 -1.385 1
1 214 . 1 1 1 A 25 25 VAL CB C 25 32.102 34.638 -2.536 1
1 224 . 1 1 1 A 25 25 VAL C C 25 176.709 175.639 1.070 1
1 225 . 1 1 1 A 26 26 GLY N N 26 112.345 115.835 -3.490 1
1 226 . 1 1 1 A 26 26 GLY H H 26 8.344 9.014 -0.670 1
1 227 . 1 1 1 A 26 26 GLY CA C 26 45.534 46.707 -1.173 1
1 228 . 1 1 1 A 26 26 GLY HA3 H 26 4.166 3.873 0.293 1
1 229 . 1 1 1 A 26 26 GLY C C 26 173.701 173.584 0.117 1
1 230 . 1 1 1 A 26 26 GLY HA2 H 26 3.519 3.864 -0.345 1
1 231 . 1 1 1 A 27 27 SER N N 27 116.474 113.762 2.712 1
1 232 . 1 1 1 A 27 27 SER H H 27 7.738 7.617 0.121 1
1 233 . 1 1 1 A 27 27 SER CA C 27 57.264 57.479 -0.215 1
1 234 . 1 1 1 A 27 27 SER HA H 27 4.692 4.984 -0.292 1
1 235 . 1 1 1 A 27 27 SER CB C 27 65.270 67.031 -1.761 1
1 237 . 1 1 1 A 27 27 SER C C 27 172.491 173.008 -0.517 1
1 239 . 1 1 1 A 28 28 ILE N N 28 122.052 125.133 -3.081 1
1 240 . 1 1 1 A 28 28 ILE H H 28 8.350 8.475 -0.125 1
1 241 . 1 1 1 A 28 28 ILE CA C 28 62.995 62.689 0.306 1
1 242 . 1 1 1 A 28 28 ILE HA H 28 3.693 4.029 -0.336 1
1 243 . 1 1 1 A 28 28 ILE CB C 28 38.221 38.014 0.207 1
1 255 . 1 1 1 A 28 28 ILE C C 28 175.624 175.089 0.535 1
1 257 . 1 1 1 A 29 29 CYS N N 29 129.493 126.988 2.505 1
1 258 . 1 1 1 A 29 29 CYS H H 29 8.730 8.493 0.237 1
1 259 . 1 1 1 A 29 29 CYS CA C 29 58.201 56.950 1.251 1
1 260 . 1 1 1 A 29 29 CYS HA H 29 4.451 4.962 -0.511 1
1 261 . 1 1 1 A 29 29 CYS CB C 29 28.560 30.267 -1.707 1
1 263 . 1 1 1 A 29 29 CYS C C 29 171.207 172.390 -1.183 1
1 265 . 1 1 1 A 30 30 ASP N N 30 123.789 126.894 -3.105 1
1 266 . 1 1 1 A 30 30 ASP H H 30 8.000 8.872 -0.872 1
1 267 . 1 1 1 A 30 30 ASP CA C 30 52.692 53.535 -0.843 1
1 268 . 1 1 1 A 30 30 ASP HA H 30 5.315 4.933 0.382 1
1 269 . 1 1 1 A 30 30 ASP CB C 30 43.397 41.752 1.645 1
1 271 . 1 1 1 A 30 30 ASP C C 30 175.569 174.612 0.957 1
1 273 . 1 1 1 A 31 31 LEU N N 31 125.116 127.216 -2.100 1
1 274 . 1 1 1 A 31 31 LEU H H 31 9.147 9.193 -0.046 1
1 275 . 1 1 1 A 31 31 LEU CA C 31 53.606 53.577 0.029 1
1 276 . 1 1 1 A 31 31 LEU HA H 31 4.515 4.953 -0.438 1
1 277 . 1 1 1 A 31 31 LEU CB C 31 43.262 44.842 -1.580 1
1 289 . 1 1 1 A 31 31 LEU C C 31 174.935 175.309 -0.374 1
1 291 . 1 1 1 A 32 32 ASN N N 32 124.687 124.750 -0.063 1
1 292 . 1 1 1 A 32 32 ASN H H 32 8.690 8.822 -0.132 1
1 293 . 1 1 1 A 32 32 ASN CA C 32 53.696 51.825 1.871 1
1 294 . 1 1 1 A 32 32 ASN HA H 32 5.077 5.300 -0.223 1
1 295 . 1 1 1 A 32 32 ASN CB C 32 39.842 39.675 0.167 1
1 300 . 1 1 1 A 32 32 ASN C C 32 174.322 174.731 -0.409 1
1 302 . 1 1 1 A 33 33 LEU N N 33 123.838 124.994 -1.156 1
1 303 . 1 1 1 A 33 33 LEU H H 33 8.912 8.241 0.671 1
1 304 . 1 1 1 A 33 33 LEU CA C 33 53.820 53.381 0.439 1
1 305 . 1 1 1 A 33 33 LEU HA H 33 4.638 4.852 -0.214 1
1 306 . 1 1 1 A 33 33 LEU CB C 33 45.587 45.540 0.047 1
1 318 . 1 1 1 A 33 33 LEU C C 33 175.719 175.915 -0.196 1
1 320 . 1 1 1 A 34 34 LYS N N 34 124.925 125.349 -0.424 1
1 321 . 1 1 1 A 34 34 LYS H H 34 8.718 8.618 0.100 1
1 322 . 1 1 1 A 34 34 LYS CA C 34 55.079 56.088 -1.009 1
1 323 . 1 1 1 A 34 34 LYS HA H 34 5.036 4.541 0.495 1
1 324 . 1 1 1 A 34 34 LYS CB C 34 32.121 32.019 0.102 1
1 332 . 1 1 1 A 34 34 LYS C C 34 176.081 174.861 1.220 1
1 337 . 1 1 1 A 35 35 ILE N N 35 123.769 127.753 -3.984 1
1 338 . 1 1 1 A 35 35 ILE H H 35 7.935 8.052 -0.117 1
1 339 . 1 1 1 A 35 35 ILE CA C 35 58.161 57.339 0.822 1
1 340 . 1 1 1 A 35 35 ILE HA H 35 4.612 4.575 0.037 1
1 341 . 1 1 1 A 35 35 ILE CB C 35 40.616 40.626 -0.010 1
1 353 . 1 1 1 A 35 35 ILE C C 35 173.405 174.365 -0.960 1
1 355 . 1 1 1 A 36 36 PRO CA C 36 63.143 62.285 0.858 1
1 356 . 1 1 1 A 36 36 PRO HA H 36 4.435 4.604 -0.169 1
1 357 . 1 1 1 A 36 36 PRO CB C 36 32.806 33.297 -0.491 1
1 363 . 1 1 1 A 36 36 PRO C C 36 176.844 177.357 -0.513 1
1 367 . 1 1 1 A 37 37 GLU N N 37 114.188 119.874 -5.686 1
1 368 . 1 1 1 A 37 37 GLU H H 37 8.358 8.861 -0.503 1
1 369 . 1 1 1 A 37 37 GLU CA C 37 59.038 58.808 0.230 1
1 370 . 1 1 1 A 37 37 GLU HA H 37 3.916 4.037 -0.121 1
1 371 . 1 1 1 A 37 37 GLU CB C 37 28.206 28.784 -0.578 1
1 375 . 1 1 1 A 37 37 GLU C C 37 175.996 177.312 -1.316 1
1 378 . 1 1 1 A 38 38 ILE N N 38 118.733 123.831 -5.098 1
1 379 . 1 1 1 A 38 38 ILE H H 38 7.679 7.398 0.281 1
1 380 . 1 1 1 A 38 38 ILE CA C 38 60.711 62.122 -1.411 1
1 381 . 1 1 1 A 38 38 ILE HA H 38 4.029 3.938 0.091 1
1 382 . 1 1 1 A 38 38 ILE CB C 38 40.278 37.801 2.477 1
1 394 . 1 1 1 A 38 38 ILE C C 38 175.255 176.148 -0.893 1
1 396 . 1 1 1 A 39 39 ASN H H 39 8.593 8.940 -0.347 1
1 397 . 1 1 1 A 39 39 ASN CA C 39 52.929 52.114 0.815 1
1 398 . 1 1 1 A 39 39 ASN HA H 39 4.921 5.088 -0.167 1
1 399 . 1 1 1 A 39 39 ASN CB C 39 39.419 40.208 -0.789 1
1 404 . 1 1 1 A 39 39 ASN C C 39 176.891 176.763 0.128 1
1 406 . 1 1 1 A 40 40 SER N N 40 120.676 117.829 2.847 1
1 407 . 1 1 1 A 40 40 SER H H 40 8.995 8.907 0.088 1
1 408 . 1 1 1 A 40 40 SER CA C 40 62.318 61.152 1.166 1
1 409 . 1 1 1 A 40 40 SER HA H 40 4.058 4.110 -0.052 1
1 410 . 1 1 1 A 40 40 SER CB C 40 63.297 62.736 0.561 1
1 412 . 1 1 1 A 40 40 SER C C 40 176.866 176.823 0.043 1
1 414 . 1 1 1 A 41 41 SER N N 41 112.249 116.624 -4.375 1
1 415 . 1 1 1 A 41 41 SER H H 41 8.253 8.188 0.065 1
1 416 . 1 1 1 A 41 41 SER CA C 41 60.133 61.530 -1.397 1
1 417 . 1 1 1 A 41 41 SER HA H 41 4.348 4.311 0.037 1
1 418 . 1 1 1 A 41 41 SER CB C 41 62.986 63.165 -0.179 1
1 420 . 1 1 1 A 41 41 SER C C 41 174.885 175.109 -0.224 1
1 422 . 1 1 1 A 42 42 ASP N N 42 119.471 118.406 1.065 1
1 423 . 1 1 1 A 42 42 ASP H H 42 7.835 7.882 -0.047 1
1 424 . 1 1 1 A 42 42 ASP CA C 42 54.713 55.487 -0.774 1
1 425 . 1 1 1 A 42 42 ASP HA H 42 4.933 4.695 0.238 1
1 426 . 1 1 1 A 42 42 ASP CB C 42 42.479 42.123 0.356 1
1 428 . 1 1 1 A 42 42 ASP C C 42 175.586 176.477 -0.891 1
1 430 . 1 1 1 A 43 43 MET N N 43 119.155 118.309 0.846 1
1 431 . 1 1 1 A 43 43 MET H H 43 7.549 8.035 -0.486 1
1 432 . 1 1 1 A 43 43 MET CA C 43 54.927 54.769 0.158 1
1 433 . 1 1 1 A 43 43 MET HA H 43 5.359 4.877 0.482 1
1 434 . 1 1 1 A 43 43 MET CB C 43 37.158 34.679 2.479 1
1 442 . 1 1 1 A 43 43 MET C C 43 174.894 174.996 -0.102 1
1 445 . 1 1 1 A 44 44 SER N N 44 114.070 112.830 1.240 1
1 446 . 1 1 1 A 44 44 SER H H 44 8.739 8.406 0.333 1
1 447 . 1 1 1 A 44 44 SER CA C 44 56.937 57.443 -0.506 1
1 448 . 1 1 1 A 44 44 SER HA H 44 4.700 5.345 -0.645 1
1 449 . 1 1 1 A 44 44 SER CB C 44 66.247 65.855 0.392 1
1 451 . 1 1 1 A 44 44 SER C C 44 172.764 172.754 0.010 1
1 453 . 1 1 1 A 45 45 ALA N N 45 126.192 127.897 -1.705 1
1 454 . 1 1 1 A 45 45 ALA H H 45 9.123 8.881 0.242 1
1 455 . 1 1 1 A 45 45 ALA CA C 45 50.378 50.159 0.219 1
1 456 . 1 1 1 A 45 45 ALA HA H 45 5.741 5.390 0.351 1
1 457 . 1 1 1 A 45 45 ALA CB C 45 23.330 21.077 2.253 1
1 461 . 1 1 1 A 45 45 ALA C C 45 175.089 176.013 -0.924 1
1 462 . 1 1 1 A 46 46 HIS N N 46 119.075 118.867 0.208 1
1 463 . 1 1 1 A 46 46 HIS H H 46 8.701 8.497 0.204 1
1 464 . 1 1 1 A 46 46 HIS CA C 46 55.999 54.815 1.184 1
1 465 . 1 1 1 A 46 46 HIS HA H 46 5.157 4.802 0.355 1
1 466 . 1 1 1 A 46 46 HIS CB C 46 34.239 33.585 0.654 1
1 472 . 1 1 1 A 46 46 HIS C C 46 174.155 173.894 0.261 1
1 474 . 1 1 1 A 47 47 VAL N N 47 125.059 123.882 1.177 1
1 475 . 1 1 1 A 47 47 VAL H H 47 9.488 8.763 0.725 1
1 476 . 1 1 1 A 47 47 VAL CA C 47 60.604 62.118 -1.514 1
1 477 . 1 1 1 A 47 47 VAL HA H 47 4.730 4.373 0.357 1
1 478 . 1 1 1 A 47 47 VAL CB C 47 33.769 32.249 1.520 1
1 488 . 1 1 1 A 47 47 VAL C C 47 175.126 175.331 -0.205 1
1 489 . 1 1 1 A 48 48 THR N N 48 124.473 122.932 1.541 1
1 490 . 1 1 1 A 48 48 THR H H 48 9.432 9.366 0.066 1
1 491 . 1 1 1 A 48 48 THR CA C 48 61.766 61.848 -0.082 1
1 492 . 1 1 1 A 48 48 THR HA H 48 5.164 4.853 0.311 1
1 493 . 1 1 1 A 48 48 THR CB C 48 69.384 70.213 -0.829 1
1 499 . 1 1 1 A 48 48 THR C C 48 174.573 174.604 -0.031 1
1 500 . 1 1 1 A 49 49 SER N N 49 125.657 121.191 4.466 1
1 501 . 1 1 1 A 49 49 SER H H 49 9.043 9.454 -0.411 1
1 502 . 1 1 1 A 49 49 SER CA C 49 56.638 56.194 0.444 1
1 503 . 1 1 1 A 49 49 SER HA H 49 4.225 4.913 -0.688 1
1 504 . 1 1 1 A 49 49 SER CB C 49 62.948 63.697 -0.749 1
1 506 . 1 1 1 A 49 49 SER C C 49 174.034 174.865 -0.831 1
1 508 . 1 1 1 A 50 50 PRO CA C 50 65.784 64.124 1.660 1
1 509 . 1 1 1 A 50 50 PRO HA H 50 4.260 4.497 -0.237 1
1 510 . 1 1 1 A 50 50 PRO CB C 50 31.493 31.546 -0.053 1
1 516 . 1 1 1 A 50 50 PRO C C 50 177.687 176.823 0.864 1
1 520 . 1 1 1 A 51 51 SER N N 51 110.322 110.790 -0.468 1
1 521 . 1 1 1 A 51 51 SER H H 51 8.349 7.381 0.968 1
1 522 . 1 1 1 A 51 51 SER CA C 51 59.076 58.281 0.795 1
1 523 . 1 1 1 A 51 51 SER HA H 51 4.332 4.500 -0.168 1
1 524 . 1 1 1 A 51 51 SER CB C 51 62.825 65.280 -2.455 1
1 526 . 1 1 1 A 51 51 SER C C 51 175.363 175.253 0.110 1
1 528 . 1 1 1 A 52 52 GLY N N 52 111.132 110.706 0.426 1
1 529 . 1 1 1 A 52 52 GLY H H 52 8.289 7.985 0.304 1
1 530 . 1 1 1 A 52 52 GLY CA C 52 44.831 45.199 -0.368 1
1 531 . 1 1 1 A 52 52 GLY HA3 H 52 4.302 3.972 0.330 1
1 532 . 1 1 1 A 52 52 GLY C C 52 174.002 173.990 0.012 1
1 533 . 1 1 1 A 52 52 GLY HA2 H 52 3.421 3.970 -0.549 1
1 534 . 1 1 1 A 53 53 ARG N N 53 121.515 119.829 1.686 1
1 535 . 1 1 1 A 53 53 ARG H H 53 7.322 7.766 -0.444 1
1 536 . 1 1 1 A 53 53 ARG CA C 53 56.749 54.814 1.935 1
1 537 . 1 1 1 A 53 53 ARG HA H 53 4.222 4.667 -0.445 1
1 538 . 1 1 1 A 53 53 ARG CB C 53 30.430 32.355 -1.925 1
1 544 . 1 1 1 A 53 53 ARG C C 53 176.023 175.268 0.755 1
1 548 . 1 1 1 A 54 54 VAL N N 54 128.383 123.191 5.192 1
1 549 . 1 1 1 A 54 54 VAL H H 54 8.780 8.713 0.067 1
1 550 . 1 1 1 A 54 54 VAL CA C 54 61.533 61.225 0.308 1
1 551 . 1 1 1 A 54 54 VAL HA H 54 5.243 4.931 0.312 1
1 552 . 1 1 1 A 54 54 VAL CB C 54 33.205 34.176 -0.971 1
1 562 . 1 1 1 A 54 54 VAL C C 54 176.783 175.539 1.244 1
1 563 . 1 1 1 A 55 55 THR N N 55 121.757 116.824 4.933 1
1 564 . 1 1 1 A 55 55 THR H H 55 9.188 9.125 0.063 1
1 565 . 1 1 1 A 55 55 THR CA C 55 60.216 59.956 0.260 1
1 566 . 1 1 1 A 55 55 THR HA H 55 4.751 5.136 -0.385 1
1 567 . 1 1 1 A 55 55 THR CB C 55 71.896 71.273 0.623 1
1 573 . 1 1 1 A 55 55 THR C C 55 173.454 172.627 0.827 1
1 574 . 1 1 1 A 56 56 GLU N N 56 125.373 120.971 4.402 1
1 575 . 1 1 1 A 56 56 GLU H H 56 8.927 8.776 0.151 1
1 576 . 1 1 1 A 56 56 GLU CA C 56 57.019 54.218 2.801 1
1 577 . 1 1 1 A 56 56 GLU HA H 56 4.365 4.912 -0.547 1
1 578 . 1 1 1 A 56 56 GLU CB C 56 30.230 33.332 -3.102 1
1 582 . 1 1 1 A 56 56 GLU C C 56 175.556 174.422 1.134 1
1 585 . 1 1 1 A 57 57 ALA N N 57 128.204 126.069 2.135 1
1 586 . 1 1 1 A 57 57 ALA H H 57 8.201 8.441 -0.240 1
1 587 . 1 1 1 A 57 57 ALA CA C 57 50.068 49.995 0.073 1
1 588 . 1 1 1 A 57 57 ALA HA H 57 4.827 5.305 -0.478 1
1 589 . 1 1 1 A 57 57 ALA CB C 57 21.531 23.145 -1.614 1
1 593 . 1 1 1 A 57 57 ALA C C 57 175.178 174.816 0.362 1
1 594 . 1 1 1 A 58 58 GLU N N 58 120.950 120.969 -0.019 1
1 595 . 1 1 1 A 58 58 GLU H H 58 8.202 8.674 -0.472 1
1 596 . 1 1 1 A 58 58 GLU CA C 58 55.505 55.385 0.120 1
1 597 . 1 1 1 A 58 58 GLU HA H 58 4.509 4.899 -0.390 1
1 598 . 1 1 1 A 58 58 GLU CB C 58 32.301 31.468 0.833 1
1 602 . 1 1 1 A 58 58 GLU C C 58 175.025 175.322 -0.297 1
1 605 . 1 1 1 A 59 59 ILE N N 59 122.574 126.832 -4.258 1
1 606 . 1 1 1 A 59 59 ILE H H 59 8.578 9.046 -0.468 1
1 607 . 1 1 1 A 59 59 ILE CA C 59 60.355 60.601 -0.246 1
1 608 . 1 1 1 A 59 59 ILE HA H 59 4.954 4.786 0.168 1
1 609 . 1 1 1 A 59 59 ILE CB C 59 38.374 37.716 0.658 1
1 621 . 1 1 1 A 59 59 ILE C C 59 175.709 175.509 0.200 1
1 623 . 1 1 1 A 60 60 VAL N N 60 129.074 126.954 2.120 1
1 624 . 1 1 1 A 60 60 VAL H H 60 9.543 8.157 1.386 1
1 625 . 1 1 1 A 60 60 VAL CA C 60 58.472 61.526 -3.054 1
1 626 . 1 1 1 A 60 60 VAL HA H 60 4.737 4.045 0.692 1
1 627 . 1 1 1 A 60 60 VAL CB C 60 34.522 31.930 2.592 1
1 637 . 1 1 1 A 60 60 VAL C C 60 174.024 174.498 -0.474 1
1 638 . 1 1 1 A 61 61 PRO CA C 61 63.313 62.483 0.830 1
1 639 . 1 1 1 A 61 61 PRO HA H 61 4.611 4.669 -0.058 1
1 640 . 1 1 1 A 61 61 PRO CB C 61 32.270 31.739 0.531 1
1 646 . 1 1 1 A 61 61 PRO C C 61 177.388 176.353 1.035 1
1 650 . 1 1 1 A 62 62 MET N N 62 122.153 120.093 2.060 1
1 651 . 1 1 1 A 62 62 MET H H 62 7.843 8.824 -0.981 1
1 652 . 1 1 1 A 62 62 MET CA C 62 53.470 57.792 -4.322 1
1 653 . 1 1 1 A 62 62 MET HA H 62 4.765 4.366 0.399 1
1 654 . 1 1 1 A 62 62 MET CB C 62 33.144 33.423 -0.279 1
1 662 . 1 1 1 A 62 62 MET C C 62 175.742 176.448 -0.706 1
1 665 . 1 1 1 A 63 63 GLY N N 63 109.196 103.563 5.633 1
1 666 . 1 1 1 A 63 63 GLY H H 63 7.757 7.079 0.678 1
1 667 . 1 1 1 A 63 63 GLY CA C 63 44.092 45.343 -1.251 1
1 668 . 1 1 1 A 63 63 GLY HA3 H 63 4.193 4.007 0.186 1
1 669 . 1 1 1 A 63 63 GLY C C 63 173.451 174.276 -0.825 1
1 670 . 1 1 1 A 63 63 GLY HA2 H 63 3.757 4.001 -0.244 1
1 671 . 1 1 1 A 64 64 LYS CA C 64 58.104 58.902 -0.798 1
1 672 . 1 1 1 A 64 64 LYS HA H 64 3.994 4.140 -0.146 1
1 673 . 1 1 1 A 64 64 LYS CB C 64 31.766 32.121 -0.355 1
1 681 . 1 1 1 A 64 64 LYS C C 64 177.657 176.755 0.902 1
1 686 . 1 1 1 A 65 65 ASN N N 65 117.648 114.197 3.451 1
1 687 . 1 1 1 A 65 65 ASN H H 65 8.860 8.046 0.814 1
1 688 . 1 1 1 A 65 65 ASN CA C 65 54.222 52.267 1.955 1
1 689 . 1 1 1 A 65 65 ASN HA H 65 4.587 4.927 -0.340 1
1 690 . 1 1 1 A 65 65 ASN CB C 65 38.313 39.120 -0.807 1
1 695 . 1 1 1 A 65 65 ASN C C 65 173.302 174.631 -1.329 1
1 697 . 1 1 1 A 66 66 SER N N 66 112.701 115.357 -2.656 1
1 698 . 1 1 1 A 66 66 SER H H 66 7.367 7.454 -0.087 1
1 699 . 1 1 1 A 66 66 SER CA C 66 57.766 56.906 0.860 1
1 700 . 1 1 1 A 66 66 SER HA H 66 5.112 5.216 -0.104 1
1 701 . 1 1 1 A 66 66 SER CB C 66 65.000 66.273 -1.273 1
1 703 . 1 1 1 A 66 66 SER C C 66 172.793 172.620 0.173 1
1 705 . 1 1 1 A 67 67 HIS N N 67 124.096 119.980 4.116 1
1 706 . 1 1 1 A 67 67 HIS H H 67 8.735 8.851 -0.116 1
1 707 . 1 1 1 A 67 67 HIS CA C 67 55.123 54.634 0.489 1
1 708 . 1 1 1 A 67 67 HIS HA H 67 4.975 4.973 0.002 1
1 709 . 1 1 1 A 67 67 HIS CB C 67 34.914 33.935 0.979 1
1 715 . 1 1 1 A 67 67 HIS C C 67 173.884 173.786 0.098 1
1 717 . 1 1 1 A 68 68 CYS N N 68 122.598 121.205 1.393 1
1 718 . 1 1 1 A 68 68 CYS H H 68 9.333 8.450 0.883 1
1 719 . 1 1 1 A 68 68 CYS CA C 68 56.907 57.492 -0.585 1
1 720 . 1 1 1 A 68 68 CYS HA H 68 5.311 5.158 0.153 1
1 721 . 1 1 1 A 68 68 CYS CB C 68 29.314 31.040 -1.726 1
1 723 . 1 1 1 A 68 68 CYS C C 68 173.554 172.971 0.583 1
1 725 . 1 1 1 A 69 69 VAL N N 69 128.613 126.647 1.966 1
1 726 . 1 1 1 A 69 69 VAL H H 69 9.074 8.734 0.340 1
1 727 . 1 1 1 A 69 69 VAL CA C 69 61.632 61.398 0.234 1
1 728 . 1 1 1 A 69 69 VAL HA H 69 4.725 5.213 -0.488 1
1 729 . 1 1 1 A 69 69 VAL CB C 69 32.387 33.882 -1.495 1
1 739 . 1 1 1 A 69 69 VAL C C 69 174.230 175.151 -0.921 1
1 740 . 1 1 1 A 70 70 ARG N N 70 128.053 126.367 1.686 1
1 741 . 1 1 1 A 70 70 ARG H H 70 9.052 8.445 0.607 1
1 742 . 1 1 1 A 70 70 ARG CA C 70 54.797 54.964 -0.167 1
1 743 . 1 1 1 A 70 70 ARG HA H 70 5.761 5.540 0.221 1
1 744 . 1 1 1 A 70 70 ARG CB C 70 34.395 32.059 2.336 1
1 751 . 1 1 1 A 70 70 ARG C C 70 175.918 175.177 0.741 1
1 755 . 1 1 1 A 71 71 PHE N N 71 122.942 117.135 5.807 1
1 756 . 1 1 1 A 71 71 PHE H H 71 8.702 8.207 0.495 1
1 757 . 1 1 1 A 71 71 PHE CA C 71 55.748 56.146 -0.398 1
1 758 . 1 1 1 A 71 71 PHE HA H 71 4.936 5.105 -0.169 1
1 759 . 1 1 1 A 71 71 PHE CB C 71 41.245 40.874 0.371 1
1 771 . 1 1 1 A 71 71 PHE C C 71 171.709 172.128 -0.419 1
1 773 . 1 1 1 A 72 72 VAL N N 72 122.214 120.282 1.932 1
1 774 . 1 1 1 A 72 72 VAL H H 72 8.512 8.844 -0.332 1
1 775 . 1 1 1 A 72 72 VAL CA C 72 58.398 59.304 -0.906 1
1 776 . 1 1 1 A 72 72 VAL HA H 72 4.752 4.539 0.213 1
1 777 . 1 1 1 A 72 72 VAL CB C 72 32.747 32.175 0.572 1
1 787 . 1 1 1 A 72 72 VAL C C 72 174.416 175.005 -0.589 1
1 788 . 1 1 1 A 73 73 PRO CA C 73 62.606 62.628 -0.022 1
1 789 . 1 1 1 A 73 73 PRO HA H 73 4.646 5.142 -0.496 1
1 790 . 1 1 1 A 73 73 PRO CB C 73 33.679 29.632 4.047 1
1 796 . 1 1 1 A 73 73 PRO C C 73 176.757 175.638 1.119 1
1 800 . 1 1 1 A 74 74 GLN N N 74 119.992 118.237 1.755 1
1 801 . 1 1 1 A 74 74 GLN H H 74 9.869 8.379 1.490 1
1 802 . 1 1 1 A 74 74 GLN CA C 74 55.156 54.322 0.834 1
1 803 . 1 1 1 A 74 74 GLN HA H 74 4.602 5.361 -0.759 1
1 804 . 1 1 1 A 74 74 GLN CB C 74 31.405 30.519 0.886 1
1 811 . 1 1 1 A 74 74 GLN C C 74 174.987 174.532 0.455 1
1 814 . 1 1 1 A 75 75 GLU N N 75 119.264 123.181 -3.917 1
1 815 . 1 1 1 A 75 75 GLU H H 75 8.009 8.971 -0.962 1
1 816 . 1 1 1 A 75 75 GLU CA C 75 54.138 54.318 -0.180 1
1 817 . 1 1 1 A 75 75 GLU HA H 75 4.657 4.780 -0.123 1
1 818 . 1 1 1 A 75 75 GLU CB C 75 34.046 33.096 0.950 1
1 822 . 1 1 1 A 75 75 GLU C C 75 173.922 176.072 -2.150 1
1 825 . 1 1 1 A 76 76 MET N N 76 117.176 119.238 -2.062 1
1 826 . 1 1 1 A 76 76 MET H H 76 8.450 8.650 -0.200 1
1 827 . 1 1 1 A 76 76 MET CA C 76 55.468 55.723 -0.255 1
1 828 . 1 1 1 A 76 76 MET HA H 76 4.275 4.838 -0.563 1
1 829 . 1 1 1 A 76 76 MET CB C 76 34.487 33.434 1.053 1
1 837 . 1 1 1 A 76 76 MET C C 76 175.964 176.101 -0.137 1
1 840 . 1 1 1 A 77 77 GLY N N 77 106.906 106.364 0.542 1
1 841 . 1 1 1 A 77 77 GLY H H 77 9.058 7.721 1.337 1
1 842 . 1 1 1 A 77 77 GLY CA C 77 43.832 46.009 -2.177 1
1 843 . 1 1 1 A 77 77 GLY HA3 H 77 3.944 4.161 -0.217 1
1 844 . 1 1 1 A 77 77 GLY C C 77 176.459 172.045 4.414 1
1 845 . 1 1 1 A 77 77 GLY HA2 H 77 4.787 4.140 0.647 1
1 846 . 1 1 1 A 78 78 VAL N N 78 125.184 122.534 2.650 1
1 847 . 1 1 1 A 78 78 VAL H H 78 9.293 8.298 0.995 1
1 848 . 1 1 1 A 78 78 VAL CA C 78 64.999 60.316 4.683 1
1 849 . 1 1 1 A 78 78 VAL HA H 78 4.178 4.636 -0.458 1
1 850 . 1 1 1 A 78 78 VAL CB C 78 31.558 33.601 -2.043 1
1 860 . 1 1 1 A 78 78 VAL C C 78 175.942 173.734 2.208 1
1 861 . 1 1 1 A 79 79 HIS N N 79 128.345 126.578 1.767 1
1 862 . 1 1 1 A 79 79 HIS H H 79 9.553 8.651 0.902 1
1 863 . 1 1 1 A 79 79 HIS CA C 79 55.063 54.767 0.296 1
1 864 . 1 1 1 A 79 79 HIS HA H 79 4.798 5.066 -0.268 1
1 865 . 1 1 1 A 79 79 HIS CB C 79 31.489 30.691 0.798 1
1 871 . 1 1 1 A 79 79 HIS C C 79 174.069 174.650 -0.581 1
1 873 . 1 1 1 A 80 80 THR N N 80 114.672 117.096 -2.424 1
1 874 . 1 1 1 A 80 80 THR H H 80 8.452 8.436 0.016 1
1 875 . 1 1 1 A 80 80 THR CA C 80 61.075 61.548 -0.473 1
1 876 . 1 1 1 A 80 80 THR HA H 80 5.213 5.163 0.050 1
1 877 . 1 1 1 A 80 80 THR CB C 80 70.795 71.509 -0.714 1
1 883 . 1 1 1 A 80 80 THR C C 80 173.863 173.268 0.595 1
1 884 . 1 1 1 A 81 81 VAL N N 81 127.546 129.087 -1.541 1
1 885 . 1 1 1 A 81 81 VAL H H 81 9.701 9.629 0.072 1
1 886 . 1 1 1 A 81 81 VAL CA C 81 60.799 61.813 -1.014 1
1 887 . 1 1 1 A 81 81 VAL HA H 81 4.782 4.491 0.291 1
1 888 . 1 1 1 A 81 81 VAL CB C 81 33.635 32.992 0.643 1
1 898 . 1 1 1 A 81 81 VAL C C 81 174.707 175.452 -0.745 1
1 899 . 1 1 1 A 82 82 SER N N 82 123.308 125.964 -2.656 1
1 900 . 1 1 1 A 82 82 SER H H 82 9.104 9.192 -0.088 1
1 901 . 1 1 1 A 82 82 SER CA C 82 56.981 58.057 -1.076 1
1 902 . 1 1 1 A 82 82 SER HA H 82 5.108 5.139 -0.031 1
1 903 . 1 1 1 A 82 82 SER CB C 82 64.728 63.708 1.020 1
1 905 . 1 1 1 A 82 82 SER C C 82 173.688 173.079 0.609 1
1 907 . 1 1 1 A 83 83 VAL N N 83 129.049 127.110 1.939 1
1 908 . 1 1 1 A 83 83 VAL H H 83 9.925 8.928 0.997 1
1 909 . 1 1 1 A 83 83 VAL CA C 83 61.669 61.638 0.031 1
1 910 . 1 1 1 A 83 83 VAL HA H 83 4.897 4.748 0.149 1
1 911 . 1 1 1 A 83 83 VAL CB C 83 33.590 32.157 1.433 1
1 921 . 1 1 1 A 83 83 VAL C C 83 174.094 175.037 -0.943 1
1 922 . 1 1 1 A 84 84 LYS N N 84 123.792 127.128 -3.336 1
1 923 . 1 1 1 A 84 84 LYS H H 84 8.768 8.667 0.101 1
1 924 . 1 1 1 A 84 84 LYS CA C 84 54.435 54.320 0.115 1
1 925 . 1 1 1 A 84 84 LYS HA H 84 5.153 4.824 0.329 1
1 926 . 1 1 1 A 84 84 LYS CB C 84 37.608 35.621 1.987 1
1 934 . 1 1 1 A 84 84 LYS C C 84 174.908 174.217 0.691 1
1 939 . 1 1 1 A 85 85 TYR N N 85 120.439 123.836 -3.397 1
1 940 . 1 1 1 A 85 85 TYR H H 85 8.926 9.252 -0.326 1
1 941 . 1 1 1 A 85 85 TYR CA C 85 56.005 57.488 -1.483 1
1 942 . 1 1 1 A 85 85 TYR HA H 85 4.938 4.819 0.119 1
1 943 . 1 1 1 A 85 85 TYR CB C 85 41.386 40.919 0.467 1
1 953 . 1 1 1 A 85 85 TYR C C 85 175.255 175.029 0.226 1
1 955 . 1 1 1 A 86 86 ARG N N 86 127.150 128.478 -1.328 1
1 956 . 1 1 1 A 86 86 ARG H H 86 9.115 9.576 -0.461 1
1 957 . 1 1 1 A 86 86 ARG CA C 86 57.122 56.933 0.189 1
1 958 . 1 1 1 A 86 86 ARG HA H 86 3.659 3.794 -0.135 1
1 959 . 1 1 1 A 86 86 ARG CB C 86 27.563 27.405 0.158 1
1 965 . 1 1 1 A 86 86 ARG C C 86 176.482 176.308 0.174 1
1 969 . 1 1 1 A 87 87 GLY N N 87 102.394 104.518 -2.124 1
1 970 . 1 1 1 A 87 87 GLY H H 87 8.564 8.581 -0.017 1
1 971 . 1 1 1 A 87 87 GLY CA C 87 45.388 46.166 -0.778 1
1 972 . 1 1 1 A 87 87 GLY HA3 H 87 4.099 3.874 0.225 1
1 973 . 1 1 1 A 87 87 GLY C C 87 173.631 173.585 0.046 1
1 974 . 1 1 1 A 87 87 GLY HA2 H 87 3.460 3.873 -0.413 1
1 975 . 1 1 1 A 88 88 GLN N N 88 119.060 119.174 -0.114 1
1 976 . 1 1 1 A 88 88 GLN H H 88 7.665 7.758 -0.093 1
1 977 . 1 1 1 A 88 88 GLN CA C 88 53.265 54.250 -0.985 1
1 978 . 1 1 1 A 88 88 GLN HA H 88 4.749 4.831 -0.082 1
1 979 . 1 1 1 A 88 88 GLN CB C 88 31.383 32.157 -0.774 1
1 986 . 1 1 1 A 88 88 GLN C C 88 175.689 174.779 0.910 1
1 989 . 1 1 1 A 89 89 HIS N N 89 123.344 122.322 1.022 1
1 990 . 1 1 1 A 89 89 HIS H H 89 8.789 8.912 -0.123 1
1 991 . 1 1 1 A 89 89 HIS CA C 89 59.011 57.328 1.683 1
1 992 . 1 1 1 A 89 89 HIS HA H 89 4.546 4.646 -0.100 1
1 993 . 1 1 1 A 89 89 HIS CB C 89 32.365 30.283 2.082 1
1 999 . 1 1 1 A 89 89 HIS C C 89 178.152 176.034 2.118 1
1 1001 . 1 1 1 A 90 90 VAL N N 90 117.749 120.768 -3.019 1
1 1002 . 1 1 1 A 90 90 VAL H H 90 8.436 8.057 0.379 1
1 1003 . 1 1 1 A 90 90 VAL CA C 90 60.473 61.740 -1.267 1
1 1004 . 1 1 1 A 90 90 VAL HA H 90 4.535 4.250 0.285 1
1 1005 . 1 1 1 A 90 90 VAL CB C 90 32.489 33.783 -1.294 1
1 1015 . 1 1 1 A 90 90 VAL C C 90 176.018 175.436 0.582 1
1 1016 . 1 1 1 A 91 91 THR N N 91 118.099 117.178 0.921 1
1 1017 . 1 1 1 A 91 91 THR H H 91 8.491 8.425 0.066 1
1 1018 . 1 1 1 A 91 91 THR CA C 91 65.519 65.154 0.365 1
1 1019 . 1 1 1 A 91 91 THR HA H 91 3.924 3.884 0.040 1
1 1020 . 1 1 1 A 91 91 THR CB C 91 68.972 68.433 0.539 1
1 1026 . 1 1 1 A 91 91 THR C C 91 174.771 176.075 -1.304 1
1 1027 . 1 1 1 A 92 92 GLY N N 92 116.032 114.800 1.232 1
1 1028 . 1 1 1 A 92 92 GLY H H 92 8.563 8.872 -0.309 1
1 1029 . 1 1 1 A 92 92 GLY CA C 92 44.842 45.977 -1.135 1
1 1030 . 1 1 1 A 92 92 GLY HA3 H 92 4.213 3.751 0.462 1
1 1031 . 1 1 1 A 92 92 GLY C C 92 172.199 172.674 -0.475 1
1 1032 . 1 1 1 A 92 92 GLY HA2 H 92 3.361 3.722 -0.361 1
1 1033 . 1 1 1 A 93 93 SER N N 93 113.106 114.495 -1.389 1
1 1034 . 1 1 1 A 93 93 SER H H 93 7.806 6.953 0.853 1
1 1035 . 1 1 1 A 93 93 SER CA C 93 54.600 54.566 0.034 1
1 1036 . 1 1 1 A 93 93 SER HA H 93 4.159 4.342 -0.183 1
1 1037 . 1 1 1 A 93 93 SER CB C 93 62.787 65.811 -3.024 1
1 1039 . 1 1 1 A 93 93 SER C C 93 174.123 172.003 2.120 1
1 1041 . 1 1 1 A 94 94 PRO CA C 94 62.619 62.398 0.221 1
1 1042 . 1 1 1 A 94 94 PRO HA H 94 5.537 4.662 0.875 1
1 1043 . 1 1 1 A 94 94 PRO CB C 94 34.521 32.404 2.117 1
1 1049 . 1 1 1 A 94 94 PRO C C 94 176.046 175.236 0.810 1
1 1053 . 1 1 1 A 95 95 PHE N N 95 120.547 119.794 0.753 1
1 1054 . 1 1 1 A 95 95 PHE H H 95 9.127 8.765 0.362 1
1 1055 . 1 1 1 A 95 95 PHE CA C 95 56.700 57.530 -0.830 1
1 1056 . 1 1 1 A 95 95 PHE HA H 95 4.844 5.069 -0.225 1
1 1057 . 1 1 1 A 95 95 PHE CB C 95 41.285 40.841 0.444 1
1 1069 . 1 1 1 A 95 95 PHE C C 95 175.219 175.328 -0.109 1
1 1071 . 1 1 1 A 96 96 GLN N N 96 120.382 122.122 -1.740 1
1 1072 . 1 1 1 A 96 96 GLN H H 96 8.896 8.781 0.115 1
1 1073 . 1 1 1 A 96 96 GLN CA C 96 55.028 54.644 0.384 1
1 1074 . 1 1 1 A 96 96 GLN HA H 96 5.440 5.434 0.006 1
1 1075 . 1 1 1 A 96 96 GLN CB C 96 31.867 31.434 0.433 1
1 1082 . 1 1 1 A 96 96 GLN C C 96 175.480 175.249 0.231 1
1 1085 . 1 1 1 A 97 97 PHE N N 97 121.331 119.220 2.111 1
1 1086 . 1 1 1 A 97 97 PHE H H 97 8.822 8.511 0.311 1
1 1087 . 1 1 1 A 97 97 PHE CA C 97 56.931 56.128 0.803 1
1 1088 . 1 1 1 A 97 97 PHE HA H 97 4.960 5.232 -0.272 1
1 1089 . 1 1 1 A 97 97 PHE CB C 97 42.133 42.069 0.064 1
1 1101 . 1 1 1 A 97 97 PHE C C 97 173.780 172.382 1.398 1
1 1103 . 1 1 1 A 98 98 THR N N 98 121.160 116.715 4.445 1
1 1104 . 1 1 1 A 98 98 THR H H 98 8.907 8.922 -0.015 1
1 1105 . 1 1 1 A 98 98 THR CA C 98 63.381 62.137 1.244 1
1 1106 . 1 1 1 A 98 98 THR HA H 98 4.487 4.722 -0.235 1
1 1107 . 1 1 1 A 98 98 THR CB C 98 69.599 69.761 -0.162 1
1 1113 . 1 1 1 A 98 98 THR C C 98 173.058 174.172 -1.114 1
1 1114 . 1 1 1 A 99 99 VAL N N 99 128.111 125.602 2.509 1
1 1115 . 1 1 1 A 99 99 VAL H H 99 8.240 8.672 -0.432 1
1 1116 . 1 1 1 A 99 99 VAL CA C 99 61.670 60.712 0.958 1
1 1117 . 1 1 1 A 99 99 VAL HA H 99 4.271 4.865 -0.594 1
1 1118 . 1 1 1 A 99 99 VAL CB C 99 32.962 33.809 -0.847 1
1 1128 . 1 1 1 A 99 99 VAL C C 99 176.689 175.916 0.773 1
1 1129 . 1 1 1 A 100 100 GLY N N 100 118.412 112.205 6.207 1
1 1130 . 1 1 1 A 100 100 GLY H H 100 8.946 7.982 0.964 1
1 1131 . 1 1 1 A 100 100 GLY CA C 100 44.504 45.169 -0.665 1
1 1132 . 1 1 1 A 100 100 GLY HA3 H 100 4.506 4.276 0.230 1
1 1133 . 1 1 1 A 100 100 GLY C C 100 170.474 171.103 -0.629 1
1 1134 . 1 1 1 A 100 100 GLY HA2 H 100 4.136 4.276 -0.140 1
1 1135 . 1 1 1 A 101 101 PRO CA C 101 62.588 62.834 -0.246 1
1 1136 . 1 1 1 A 101 101 PRO HA H 101 4.525 4.550 -0.025 1
1 1137 . 1 1 1 A 101 101 PRO CB C 101 32.641 32.361 0.280 1
1 1143 . 1 1 1 A 101 101 PRO C C 101 176.696 175.766 0.930 1
1 1147 . 1 1 1 A 102 102 LEU N N 102 121.326 122.870 -1.544 1
1 1148 . 1 1 1 A 102 102 LEU H H 102 8.374 8.399 -0.025 1
1 1149 . 1 1 1 A 102 102 LEU CA C 102 55.855 53.920 1.935 1
1 1150 . 1 1 1 A 102 102 LEU HA H 102 4.221 4.671 -0.450 1
1 1151 . 1 1 1 A 102 102 LEU CB C 102 42.652 42.849 -0.197 1
1 1163 . 1 1 1 A 102 102 LEU C C 102 178.005 176.247 1.758 1
1 1165 . 1 1 1 A 103 103 GLY N N 103 110.870 113.614 -2.744 1
1 1166 . 1 1 1 A 103 103 GLY H H 103 8.481 8.590 -0.109 1
1 1167 . 1 1 1 A 103 103 GLY CA C 103 45.208 44.993 0.215 1
1 1168 . 1 1 1 A 103 103 GLY HA3 H 103 3.927 4.045 -0.118 1
1 1169 . 1 1 1 A 103 103 GLY C C 103 174.126 173.698 0.428 1
1 1170 . 1 1 1 A 103 103 GLY HA2 H 103 3.991 4.045 -0.054 1
1 1171 . 1 1 1 A 104 104 GLU N N 104 120.771 119.330 1.441 1
1 1172 . 1 1 1 A 104 104 GLU H H 104 8.308 8.059 0.249 1
1 1173 . 1 1 1 A 104 104 GLU CA C 104 56.713 54.478 2.235 1
1 1174 . 1 1 1 A 104 104 GLU HA H 104 4.318 4.580 -0.262 1
1 1175 . 1 1 1 A 104 104 GLU CB C 104 30.470 30.450 0.020 1
1 1179 . 1 1 1 A 104 104 GLU C C 104 177.052 177.154 -0.102 1
1 1182 . 1 1 1 A 105 105 GLY N N 105 110.589 108.461 2.128 1
1 1183 . 1 1 1 A 105 105 GLY H H 105 8.546 8.442 0.104 1
1 1184 . 1 1 1 A 105 105 GLY CA C 105 45.256 46.517 -1.261 1
1 1185 . 1 1 1 A 105 105 GLY HA3 H 105 3.925 3.799 0.126 1
1 1186 . 1 1 1 A 105 105 GLY C C 105 173.795 174.612 -0.817 1
1 1187 . 1 1 1 A 105 105 GLY HA2 H 105 3.992 3.798 0.194 1
1 1 . 2 1 1 A 7 7 GLY CA C 7 45.415 44.635 0.780 1
1 2 . 2 1 1 A 7 7 GLY HA3 H 7 3.972 4.161 -0.189 1
1 3 . 2 1 1 A 7 7 GLY C C 7 174.102 172.209 1.893 1
1 4 . 2 1 1 A 7 7 GLY HA2 H 7 3.972 4.160 -0.188 1
1 5 . 2 1 1 A 8 8 ARG N N 8 120.724 123.501 -2.777 1
1 6 . 2 1 1 A 8 8 ARG H H 8 8.124 8.653 -0.529 1
1 7 . 2 1 1 A 8 8 ARG CA C 8 56.123 55.159 0.964 1
1 8 . 2 1 1 A 8 8 ARG HA H 8 4.363 5.049 -0.686 1
1 9 . 2 1 1 A 8 8 ARG CB C 8 30.881 32.219 -1.338 1
1 15 . 2 1 1 A 8 8 ARG C C 8 176.487 174.798 1.689 1
1 19 . 2 1 1 A 9 9 VAL N N 9 121.839 125.053 -3.214 1
1 20 . 2 1 1 A 9 9 VAL H H 9 8.204 8.464 -0.260 1
1 21 . 2 1 1 A 9 9 VAL CA C 9 62.438 60.683 1.755 1
1 22 . 2 1 1 A 9 9 VAL HA H 9 4.081 4.611 -0.530 1
1 23 . 2 1 1 A 9 9 VAL CB C 9 32.773 33.703 -0.930 1
1 33 . 2 1 1 A 9 9 VAL C C 9 176.204 173.416 2.788 1
1 34 . 2 1 1 A 10 10 LYS N N 10 125.552 127.465 -1.913 1
1 35 . 2 1 1 A 10 10 LYS H H 10 8.437 8.589 -0.152 1
1 36 . 2 1 1 A 10 10 LYS CA C 10 56.575 54.870 1.705 1
1 37 . 2 1 1 A 10 10 LYS HA H 10 4.280 4.800 -0.520 1
1 38 . 2 1 1 A 10 10 LYS CB C 10 33.046 35.448 -2.402 1
1 46 . 2 1 1 A 10 10 LYS C C 10 176.486 175.719 0.767 1
1 51 . 2 1 1 A 11 11 GLU N N 11 122.741 119.608 3.133 1
1 52 . 2 1 1 A 11 11 GLU H H 11 8.490 9.205 -0.715 1
1 53 . 2 1 1 A 11 11 GLU CA C 11 56.717 57.275 -0.558 1
1 54 . 2 1 1 A 11 11 GLU HA H 11 4.303 3.967 0.336 1
1 55 . 2 1 1 A 11 11 GLU CB C 11 30.422 28.444 1.978 1
1 59 . 2 1 1 A 11 11 GLU C C 11 176.428 177.015 -0.587 1
1 62 . 2 1 1 A 12 12 SER N N 12 117.227 111.634 5.593 1
1 63 . 2 1 1 A 12 12 SER H H 12 8.434 8.138 0.296 1
1 64 . 2 1 1 A 12 12 SER CA C 12 58.340 56.773 1.567 1
1 65 . 2 1 1 A 12 12 SER HA H 12 4.477 4.675 -0.198 1
1 66 . 2 1 1 A 12 12 SER CB C 12 63.670 63.391 0.279 1
1 68 . 2 1 1 A 12 12 SER C C 12 174.574 173.469 1.105 1
1 70 . 2 1 1 A 13 13 ILE N N 13 122.704 121.343 1.361 1
1 71 . 2 1 1 A 13 13 ILE H H 13 8.189 7.619 0.570 1
1 72 . 2 1 1 A 13 13 ILE CA C 13 61.364 60.886 0.478 1
1 73 . 2 1 1 A 13 13 ILE HA H 13 4.270 4.602 -0.332 1
1 74 . 2 1 1 A 13 13 ILE CB C 13 38.870 39.352 -0.482 1
1 86 . 2 1 1 A 13 13 ILE C C 13 176.445 175.589 0.856 1
1 88 . 2 1 1 A 14 14 THR N N 14 118.671 117.962 0.709 1
1 89 . 2 1 1 A 14 14 THR H H 14 8.265 8.434 -0.169 1
1 90 . 2 1 1 A 14 14 THR CA C 14 62.080 61.422 0.658 1
1 91 . 2 1 1 A 14 14 THR HA H 14 4.338 4.475 -0.137 1
1 92 . 2 1 1 A 14 14 THR CB C 14 69.779 68.456 1.323 1
1 98 . 2 1 1 A 14 14 THR C C 14 174.465 173.308 1.157 1
1 99 . 2 1 1 A 15 15 ARG N N 15 124.132 122.039 2.093 1
1 100 . 2 1 1 A 15 15 ARG H H 15 8.428 7.621 0.807 1
1 101 . 2 1 1 A 15 15 ARG CA C 15 56.221 53.890 2.331 1
1 102 . 2 1 1 A 15 15 ARG HA H 15 4.447 4.926 -0.479 1
1 103 . 2 1 1 A 15 15 ARG CB C 15 30.949 34.034 -3.085 1
1 109 . 2 1 1 A 15 15 ARG C C 15 176.374 174.630 1.744 1
1 113 . 2 1 1 A 16 16 THR N N 16 115.339 117.448 -2.109 1
1 114 . 2 1 1 A 16 16 THR H H 16 8.232 8.933 -0.701 1
1 115 . 2 1 1 A 16 16 THR CA C 16 61.828 62.207 -0.379 1
1 116 . 2 1 1 A 16 16 THR HA H 16 4.389 4.724 -0.335 1
1 117 . 2 1 1 A 16 16 THR CB C 16 69.896 70.015 -0.119 1
1 123 . 2 1 1 A 16 16 THR C C 16 174.518 173.721 0.797 1
1 124 . 2 1 1 A 17 17 SER N N 17 118.278 119.588 -1.310 1
1 125 . 2 1 1 A 17 17 SER H H 17 8.331 8.702 -0.371 1
1 126 . 2 1 1 A 17 17 SER CA C 17 58.326 60.332 -2.006 1
1 127 . 2 1 1 A 17 17 SER HA H 17 4.500 4.551 -0.051 1
1 128 . 2 1 1 A 17 17 SER CB C 17 63.918 64.208 -0.290 1
1 130 . 2 1 1 A 17 17 SER C C 17 174.172 173.921 0.251 1
1 132 . 2 1 1 A 18 18 ARG N N 18 122.935 117.686 5.249 1
1 133 . 2 1 1 A 18 18 ARG H H 18 8.376 7.877 0.499 1
1 134 . 2 1 1 A 18 18 ARG CA C 18 55.772 56.919 -1.147 1
1 135 . 2 1 1 A 18 18 ARG HA H 18 4.386 3.852 0.534 1
1 136 . 2 1 1 A 18 18 ARG CB C 18 31.073 27.955 3.118 1
1 142 . 2 1 1 A 18 18 ARG C C 18 175.493 174.614 0.879 1
1 146 . 2 1 1 A 19 19 ALA N N 19 126.804 118.961 7.843 1
1 147 . 2 1 1 A 19 19 ALA H H 19 8.357 7.614 0.743 1
1 148 . 2 1 1 A 19 19 ALA CA C 19 50.553 49.834 0.719 1
1 149 . 2 1 1 A 19 19 ALA HA H 19 4.585 4.818 -0.233 1
1 150 . 2 1 1 A 19 19 ALA CB C 19 18.208 21.795 -3.587 1
1 154 . 2 1 1 A 19 19 ALA C C 19 175.408 174.639 0.769 1
1 155 . 2 1 1 A 20 20 PRO CA C 20 63.352 62.791 0.561 1
1 156 . 2 1 1 A 20 20 PRO HA H 20 4.455 4.615 -0.160 1
1 157 . 2 1 1 A 20 20 PRO CB C 20 32.196 33.578 -1.382 1
1 163 . 2 1 1 A 20 20 PRO C C 20 176.846 176.010 0.836 1
1 167 . 2 1 1 A 21 21 SER N N 21 116.414 112.908 3.506 1
1 168 . 2 1 1 A 21 21 SER H H 21 8.449 8.503 -0.054 1
1 169 . 2 1 1 A 21 21 SER CA C 21 58.507 57.901 0.606 1
1 170 . 2 1 1 A 21 21 SER HA H 21 4.475 4.995 -0.520 1
1 171 . 2 1 1 A 21 21 SER CB C 21 63.851 65.924 -2.073 1
1 173 . 2 1 1 A 21 21 SER C C 21 174.344 172.938 1.406 1
1 175 . 2 1 1 A 22 22 VAL N N 22 120.580 121.490 -0.910 1
1 176 . 2 1 1 A 22 22 VAL H H 22 8.110 8.617 -0.507 1
1 177 . 2 1 1 A 22 22 VAL CA C 22 61.788 60.782 1.006 1
1 178 . 2 1 1 A 22 22 VAL HA H 22 4.293 4.506 -0.213 1
1 179 . 2 1 1 A 22 22 VAL CB C 22 33.445 33.892 -0.447 1
1 189 . 2 1 1 A 22 22 VAL C C 22 175.160 175.676 -0.516 1
1 190 . 2 1 1 A 23 23 ALA N N 23 127.788 123.674 4.114 1
1 191 . 2 1 1 A 23 23 ALA H H 23 8.428 8.594 -0.166 1
1 192 . 2 1 1 A 23 23 ALA CA C 23 51.790 50.981 0.809 1
1 193 . 2 1 1 A 23 23 ALA HA H 23 4.594 4.920 -0.326 1
1 194 . 2 1 1 A 23 23 ALA CB C 23 21.050 20.844 0.206 1
1 198 . 2 1 1 A 23 23 ALA C C 23 176.198 176.516 -0.318 1
1 199 . 2 1 1 A 24 24 THR N N 24 115.139 116.228 -1.089 1
1 200 . 2 1 1 A 24 24 THR H H 24 8.338 8.674 -0.336 1
1 201 . 2 1 1 A 24 24 THR CA C 24 60.519 61.506 -0.987 1
1 202 . 2 1 1 A 24 24 THR HA H 24 4.674 5.005 -0.331 1
1 203 . 2 1 1 A 24 24 THR CB C 24 72.048 70.837 1.211 1
1 209 . 2 1 1 A 24 24 THR C C 24 173.979 172.891 1.088 1
1 210 . 2 1 1 A 25 25 VAL N N 25 122.772 125.220 -2.448 1
1 211 . 2 1 1 A 25 25 VAL H H 25 8.002 8.604 -0.602 1
1 212 . 2 1 1 A 25 25 VAL CA C 25 64.582 60.482 4.100 1
1 213 . 2 1 1 A 25 25 VAL HA H 25 3.280 4.474 -1.194 1
1 214 . 2 1 1 A 25 25 VAL CB C 25 32.102 33.640 -1.538 1
1 224 . 2 1 1 A 25 25 VAL C C 25 176.709 176.596 0.113 1
1 225 . 2 1 1 A 26 26 GLY N N 26 112.345 116.438 -4.093 1
1 226 . 2 1 1 A 26 26 GLY H H 26 8.344 8.787 -0.443 1
1 227 . 2 1 1 A 26 26 GLY CA C 26 45.534 45.775 -0.241 1
1 228 . 2 1 1 A 26 26 GLY HA3 H 26 4.166 4.012 0.154 1
1 229 . 2 1 1 A 26 26 GLY C C 26 173.701 173.485 0.216 1
1 230 . 2 1 1 A 26 26 GLY HA2 H 26 3.519 3.998 -0.479 1
1 231 . 2 1 1 A 27 27 SER N N 27 116.474 113.909 2.565 1
1 232 . 2 1 1 A 27 27 SER H H 27 7.738 7.716 0.022 1
1 233 . 2 1 1 A 27 27 SER CA C 27 57.264 57.423 -0.159 1
1 234 . 2 1 1 A 27 27 SER HA H 27 4.692 5.026 -0.334 1
1 235 . 2 1 1 A 27 27 SER CB C 27 65.270 66.626 -1.356 1
1 237 . 2 1 1 A 27 27 SER C C 27 172.491 173.224 -0.733 1
1 239 . 2 1 1 A 28 28 ILE N N 28 122.052 126.671 -4.619 1
1 240 . 2 1 1 A 28 28 ILE H H 28 8.350 8.727 -0.377 1
1 241 . 2 1 1 A 28 28 ILE CA C 28 62.995 62.329 0.666 1
1 242 . 2 1 1 A 28 28 ILE HA H 28 3.693 4.418 -0.725 1
1 243 . 2 1 1 A 28 28 ILE CB C 28 38.221 37.109 1.112 1
1 255 . 2 1 1 A 28 28 ILE C C 28 175.624 175.334 0.290 1
1 257 . 2 1 1 A 29 29 CYS N N 29 129.493 127.860 1.633 1
1 258 . 2 1 1 A 29 29 CYS H H 29 8.730 8.741 -0.011 1
1 259 . 2 1 1 A 29 29 CYS CA C 29 58.201 57.562 0.639 1
1 260 . 2 1 1 A 29 29 CYS HA H 29 4.451 4.985 -0.534 1
1 261 . 2 1 1 A 29 29 CYS CB C 29 28.560 29.328 -0.768 1
1 263 . 2 1 1 A 29 29 CYS C C 29 171.207 173.186 -1.979 1
1 265 . 2 1 1 A 30 30 ASP N N 30 123.789 125.612 -1.823 1
1 266 . 2 1 1 A 30 30 ASP H H 30 8.000 8.477 -0.477 1
1 267 . 2 1 1 A 30 30 ASP CA C 30 52.692 53.851 -1.159 1
1 268 . 2 1 1 A 30 30 ASP HA H 30 5.315 4.696 0.619 1
1 269 . 2 1 1 A 30 30 ASP CB C 30 43.397 41.121 2.276 1
1 271 . 2 1 1 A 30 30 ASP C C 30 175.569 174.546 1.023 1
1 273 . 2 1 1 A 31 31 LEU N N 31 125.116 127.055 -1.939 1
1 274 . 2 1 1 A 31 31 LEU H H 31 9.147 9.061 0.086 1
1 275 . 2 1 1 A 31 31 LEU CA C 31 53.606 53.802 -0.196 1
1 276 . 2 1 1 A 31 31 LEU HA H 31 4.515 4.681 -0.166 1
1 277 . 2 1 1 A 31 31 LEU CB C 31 43.262 43.424 -0.162 1
1 289 . 2 1 1 A 31 31 LEU C C 31 174.935 174.731 0.204 1
1 291 . 2 1 1 A 32 32 ASN N N 32 124.687 125.721 -1.034 1
1 292 . 2 1 1 A 32 32 ASN H H 32 8.690 8.681 0.009 1
1 293 . 2 1 1 A 32 32 ASN CA C 32 53.696 53.052 0.644 1
1 294 . 2 1 1 A 32 32 ASN HA H 32 5.077 5.035 0.042 1
1 295 . 2 1 1 A 32 32 ASN CB C 32 39.842 39.345 0.497 1
1 300 . 2 1 1 A 32 32 ASN C C 32 174.322 174.906 -0.584 1
1 302 . 2 1 1 A 33 33 LEU N N 33 123.838 125.461 -1.623 1
1 303 . 2 1 1 A 33 33 LEU H H 33 8.912 8.406 0.506 1
1 304 . 2 1 1 A 33 33 LEU CA C 33 53.820 53.360 0.460 1
1 305 . 2 1 1 A 33 33 LEU HA H 33 4.638 4.992 -0.354 1
1 306 . 2 1 1 A 33 33 LEU CB C 33 45.587 45.355 0.232 1
1 318 . 2 1 1 A 33 33 LEU C C 33 175.719 175.730 -0.011 1
1 320 . 2 1 1 A 34 34 LYS N N 34 124.925 121.196 3.729 1
1 321 . 2 1 1 A 34 34 LYS H H 34 8.718 8.556 0.162 1
1 322 . 2 1 1 A 34 34 LYS CA C 34 55.079 55.520 -0.441 1
1 323 . 2 1 1 A 34 34 LYS HA H 34 5.036 4.744 0.292 1
1 324 . 2 1 1 A 34 34 LYS CB C 34 32.121 33.102 -0.981 1
1 332 . 2 1 1 A 34 34 LYS C C 34 176.081 175.726 0.355 1
1 337 . 2 1 1 A 35 35 ILE N N 35 123.769 125.074 -1.305 1
1 338 . 2 1 1 A 35 35 ILE H H 35 7.935 8.422 -0.487 1
1 339 . 2 1 1 A 35 35 ILE CA C 35 58.161 57.592 0.569 1
1 340 . 2 1 1 A 35 35 ILE HA H 35 4.612 4.609 0.003 1
1 341 . 2 1 1 A 35 35 ILE CB C 35 40.616 41.709 -1.093 1
1 353 . 2 1 1 A 35 35 ILE C C 35 173.405 174.011 -0.606 1
1 355 . 2 1 1 A 36 36 PRO CA C 36 63.143 62.300 0.843 1
1 356 . 2 1 1 A 36 36 PRO HA H 36 4.435 4.644 -0.209 1
1 357 . 2 1 1 A 36 36 PRO CB C 36 32.806 33.319 -0.513 1
1 363 . 2 1 1 A 36 36 PRO C C 36 176.844 176.807 0.037 1
1 367 . 2 1 1 A 37 37 GLU N N 37 114.188 119.742 -5.554 1
1 368 . 2 1 1 A 37 37 GLU H H 37 8.358 8.759 -0.401 1
1 369 . 2 1 1 A 37 37 GLU CA C 37 59.038 59.362 -0.324 1
1 370 . 2 1 1 A 37 37 GLU HA H 37 3.916 4.011 -0.095 1
1 371 . 2 1 1 A 37 37 GLU CB C 37 28.206 29.375 -1.169 1
1 375 . 2 1 1 A 37 37 GLU C C 37 175.996 177.593 -1.597 1
1 378 . 2 1 1 A 38 38 ILE N N 38 118.733 122.830 -4.097 1
1 379 . 2 1 1 A 38 38 ILE H H 38 7.679 7.399 0.280 1
1 380 . 2 1 1 A 38 38 ILE CA C 38 60.711 62.026 -1.315 1
1 381 . 2 1 1 A 38 38 ILE HA H 38 4.029 3.874 0.155 1
1 382 . 2 1 1 A 38 38 ILE CB C 38 40.278 37.860 2.418 1
1 394 . 2 1 1 A 38 38 ILE C C 38 175.255 176.266 -1.011 1
1 396 . 2 1 1 A 39 39 ASN H H 39 8.593 8.792 -0.199 1
1 397 . 2 1 1 A 39 39 ASN CA C 39 52.929 52.465 0.464 1
1 398 . 2 1 1 A 39 39 ASN HA H 39 4.921 5.022 -0.101 1
1 399 . 2 1 1 A 39 39 ASN CB C 39 39.419 39.747 -0.328 1
1 404 . 2 1 1 A 39 39 ASN C C 39 176.891 176.379 0.512 1
1 406 . 2 1 1 A 40 40 SER N N 40 120.676 118.227 2.449 1
1 407 . 2 1 1 A 40 40 SER H H 40 8.995 8.795 0.200 1
1 408 . 2 1 1 A 40 40 SER CA C 40 62.318 60.752 1.566 1
1 409 . 2 1 1 A 40 40 SER HA H 40 4.058 4.276 -0.218 1
1 410 . 2 1 1 A 40 40 SER CB C 40 63.297 63.807 -0.510 1
1 412 . 2 1 1 A 40 40 SER C C 40 176.866 176.372 0.494 1
1 414 . 2 1 1 A 41 41 SER N N 41 112.249 116.535 -4.286 1
1 415 . 2 1 1 A 41 41 SER H H 41 8.253 8.060 0.193 1
1 416 . 2 1 1 A 41 41 SER CA C 41 60.133 61.586 -1.453 1
1 417 . 2 1 1 A 41 41 SER HA H 41 4.348 4.279 0.069 1
1 418 . 2 1 1 A 41 41 SER CB C 41 62.986 63.149 -0.163 1
1 420 . 2 1 1 A 41 41 SER C C 41 174.885 175.227 -0.342 1
1 422 . 2 1 1 A 42 42 ASP N N 42 119.471 118.415 1.056 1
1 423 . 2 1 1 A 42 42 ASP H H 42 7.835 7.890 -0.055 1
1 424 . 2 1 1 A 42 42 ASP CA C 42 54.713 55.439 -0.726 1
1 425 . 2 1 1 A 42 42 ASP HA H 42 4.933 4.699 0.234 1
1 426 . 2 1 1 A 42 42 ASP CB C 42 42.479 42.242 0.237 1
1 428 . 2 1 1 A 42 42 ASP C C 42 175.586 176.425 -0.839 1
1 430 . 2 1 1 A 43 43 MET N N 43 119.155 118.878 0.277 1
1 431 . 2 1 1 A 43 43 MET H H 43 7.549 7.648 -0.099 1
1 432 . 2 1 1 A 43 43 MET CA C 43 54.927 54.938 -0.011 1
1 433 . 2 1 1 A 43 43 MET HA H 43 5.359 4.781 0.578 1
1 434 . 2 1 1 A 43 43 MET CB C 43 37.158 33.960 3.198 1
1 442 . 2 1 1 A 43 43 MET C C 43 174.894 175.483 -0.589 1
1 445 . 2 1 1 A 44 44 SER N N 44 114.070 115.843 -1.773 1
1 446 . 2 1 1 A 44 44 SER H H 44 8.739 8.432 0.307 1
1 447 . 2 1 1 A 44 44 SER CA C 44 56.937 56.725 0.212 1
1 448 . 2 1 1 A 44 44 SER HA H 44 4.700 5.226 -0.526 1
1 449 . 2 1 1 A 44 44 SER CB C 44 66.247 66.629 -0.382 1
1 451 . 2 1 1 A 44 44 SER C C 44 172.764 172.618 0.146 1
1 453 . 2 1 1 A 45 45 ALA N N 45 126.192 124.432 1.760 1
1 454 . 2 1 1 A 45 45 ALA H H 45 9.123 8.419 0.704 1
1 455 . 2 1 1 A 45 45 ALA CA C 45 50.378 51.439 -1.061 1
1 456 . 2 1 1 A 45 45 ALA HA H 45 5.741 5.142 0.599 1
1 457 . 2 1 1 A 45 45 ALA CB C 45 23.330 22.063 1.267 1
1 461 . 2 1 1 A 45 45 ALA C C 45 175.089 175.364 -0.275 1
1 462 . 2 1 1 A 46 46 HIS N N 46 119.075 118.737 0.338 1
1 463 . 2 1 1 A 46 46 HIS H H 46 8.701 8.666 0.035 1
1 464 . 2 1 1 A 46 46 HIS CA C 46 55.999 55.001 0.998 1
1 465 . 2 1 1 A 46 46 HIS HA H 46 5.157 5.198 -0.041 1
1 466 . 2 1 1 A 46 46 HIS CB C 46 34.239 33.361 0.878 1
1 472 . 2 1 1 A 46 46 HIS C C 46 174.155 174.064 0.091 1
1 474 . 2 1 1 A 47 47 VAL N N 47 125.059 124.075 0.984 1
1 475 . 2 1 1 A 47 47 VAL H H 47 9.488 8.467 1.021 1
1 476 . 2 1 1 A 47 47 VAL CA C 47 60.604 62.310 -1.706 1
1 477 . 2 1 1 A 47 47 VAL HA H 47 4.730 4.496 0.234 1
1 478 . 2 1 1 A 47 47 VAL CB C 47 33.769 32.034 1.735 1
1 488 . 2 1 1 A 47 47 VAL C C 47 175.126 175.576 -0.450 1
1 489 . 2 1 1 A 48 48 THR N N 48 124.473 123.393 1.080 1
1 490 . 2 1 1 A 48 48 THR H H 48 9.432 9.261 0.171 1
1 491 . 2 1 1 A 48 48 THR CA C 48 61.766 61.831 -0.065 1
1 492 . 2 1 1 A 48 48 THR HA H 48 5.164 4.781 0.383 1
1 493 . 2 1 1 A 48 48 THR CB C 48 69.384 70.402 -1.018 1
1 499 . 2 1 1 A 48 48 THR C C 48 174.573 174.231 0.342 1
1 500 . 2 1 1 A 49 49 SER N N 49 125.657 118.994 6.663 1
1 501 . 2 1 1 A 49 49 SER H H 49 9.043 9.139 -0.096 1
1 502 . 2 1 1 A 49 49 SER CA C 49 56.638 55.300 1.338 1
1 503 . 2 1 1 A 49 49 SER HA H 49 4.225 4.909 -0.684 1
1 504 . 2 1 1 A 49 49 SER CB C 49 62.948 64.548 -1.600 1
1 506 . 2 1 1 A 49 49 SER C C 49 174.034 174.488 -0.454 1
1 508 . 2 1 1 A 50 50 PRO CA C 50 65.784 64.249 1.535 1
1 509 . 2 1 1 A 50 50 PRO HA H 50 4.260 4.456 -0.196 1
1 510 . 2 1 1 A 50 50 PRO CB C 50 31.493 31.693 -0.200 1
1 516 . 2 1 1 A 50 50 PRO C C 50 177.687 176.948 0.739 1
1 520 . 2 1 1 A 51 51 SER N N 51 110.322 110.897 -0.575 1
1 521 . 2 1 1 A 51 51 SER H H 51 8.349 7.462 0.887 1
1 522 . 2 1 1 A 51 51 SER CA C 51 59.076 58.710 0.366 1
1 523 . 2 1 1 A 51 51 SER HA H 51 4.332 4.446 -0.114 1
1 524 . 2 1 1 A 51 51 SER CB C 51 62.825 64.938 -2.113 1
1 526 . 2 1 1 A 51 51 SER C C 51 175.363 174.985 0.378 1
1 528 . 2 1 1 A 52 52 GLY N N 52 111.132 110.143 0.989 1
1 529 . 2 1 1 A 52 52 GLY H H 52 8.289 7.681 0.608 1
1 530 . 2 1 1 A 52 52 GLY CA C 52 44.831 44.968 -0.137 1
1 531 . 2 1 1 A 52 52 GLY HA3 H 52 4.302 4.054 0.248 1
1 532 . 2 1 1 A 52 52 GLY C C 52 174.002 174.065 -0.063 1
1 533 . 2 1 1 A 52 52 GLY HA2 H 52 3.421 4.051 -0.630 1
1 534 . 2 1 1 A 53 53 ARG N N 53 121.515 119.627 1.888 1
1 535 . 2 1 1 A 53 53 ARG H H 53 7.322 7.903 -0.581 1
1 536 . 2 1 1 A 53 53 ARG CA C 53 56.749 54.447 2.302 1
1 537 . 2 1 1 A 53 53 ARG HA H 53 4.222 4.741 -0.519 1
1 538 . 2 1 1 A 53 53 ARG CB C 53 30.430 32.589 -2.159 1
1 544 . 2 1 1 A 53 53 ARG C C 53 176.023 175.287 0.736 1
1 548 . 2 1 1 A 54 54 VAL N N 54 128.383 122.548 5.835 1
1 549 . 2 1 1 A 54 54 VAL H H 54 8.780 8.627 0.153 1
1 550 . 2 1 1 A 54 54 VAL CA C 54 61.533 61.277 0.256 1
1 551 . 2 1 1 A 54 54 VAL HA H 54 5.243 4.954 0.289 1
1 552 . 2 1 1 A 54 54 VAL CB C 54 33.205 34.899 -1.694 1
1 562 . 2 1 1 A 54 54 VAL C C 54 176.783 174.715 2.068 1
1 563 . 2 1 1 A 55 55 THR N N 55 121.757 121.753 0.004 1
1 564 . 2 1 1 A 55 55 THR H H 55 9.188 8.966 0.222 1
1 565 . 2 1 1 A 55 55 THR CA C 55 60.216 60.583 -0.367 1
1 566 . 2 1 1 A 55 55 THR HA H 55 4.751 4.992 -0.241 1
1 567 . 2 1 1 A 55 55 THR CB C 55 71.896 73.194 -1.298 1
1 573 . 2 1 1 A 55 55 THR C C 55 173.454 172.825 0.629 1
1 574 . 2 1 1 A 56 56 GLU N N 56 125.373 123.217 2.156 1
1 575 . 2 1 1 A 56 56 GLU H H 56 8.927 8.904 0.023 1
1 576 . 2 1 1 A 56 56 GLU CA C 56 57.019 54.552 2.467 1
1 577 . 2 1 1 A 56 56 GLU HA H 56 4.365 5.088 -0.723 1
1 578 . 2 1 1 A 56 56 GLU CB C 56 30.230 32.791 -2.561 1
1 582 . 2 1 1 A 56 56 GLU C C 56 175.556 175.182 0.374 1
1 585 . 2 1 1 A 57 57 ALA N N 57 128.204 128.655 -0.451 1
1 586 . 2 1 1 A 57 57 ALA H H 57 8.201 8.880 -0.679 1
1 587 . 2 1 1 A 57 57 ALA CA C 57 50.068 49.923 0.145 1
1 588 . 2 1 1 A 57 57 ALA HA H 57 4.827 5.327 -0.500 1
1 589 . 2 1 1 A 57 57 ALA CB C 57 21.531 22.847 -1.316 1
1 593 . 2 1 1 A 57 57 ALA C C 57 175.178 175.069 0.109 1
1 594 . 2 1 1 A 58 58 GLU N N 58 120.950 120.780 0.170 1
1 595 . 2 1 1 A 58 58 GLU H H 58 8.202 8.900 -0.698 1
1 596 . 2 1 1 A 58 58 GLU CA C 58 55.505 55.035 0.470 1
1 597 . 2 1 1 A 58 58 GLU HA H 58 4.509 5.175 -0.666 1
1 598 . 2 1 1 A 58 58 GLU CB C 58 32.301 33.017 -0.716 1
1 602 . 2 1 1 A 58 58 GLU C C 58 175.025 175.363 -0.338 1
1 605 . 2 1 1 A 59 59 ILE N N 59 122.574 127.510 -4.936 1
1 606 . 2 1 1 A 59 59 ILE H H 59 8.578 9.037 -0.459 1
1 607 . 2 1 1 A 59 59 ILE CA C 59 60.355 59.755 0.600 1
1 608 . 2 1 1 A 59 59 ILE HA H 59 4.954 4.769 0.185 1
1 609 . 2 1 1 A 59 59 ILE CB C 59 38.374 38.367 0.007 1
1 621 . 2 1 1 A 59 59 ILE C C 59 175.709 175.086 0.623 1
1 623 . 2 1 1 A 60 60 VAL N N 60 129.074 127.591 1.483 1
1 624 . 2 1 1 A 60 60 VAL H H 60 9.543 9.150 0.393 1
1 625 . 2 1 1 A 60 60 VAL CA C 60 58.472 58.675 -0.203 1
1 626 . 2 1 1 A 60 60 VAL HA H 60 4.737 4.548 0.189 1
1 627 . 2 1 1 A 60 60 VAL CB C 60 34.522 33.247 1.275 1
1 637 . 2 1 1 A 60 60 VAL C C 60 174.024 174.835 -0.811 1
1 638 . 2 1 1 A 61 61 PRO CA C 61 63.313 62.071 1.242 1
1 639 . 2 1 1 A 61 61 PRO HA H 61 4.611 4.517 0.094 1
1 640 . 2 1 1 A 61 61 PRO CB C 61 32.270 29.405 2.865 1
1 646 . 2 1 1 A 61 61 PRO C C 61 177.388 177.281 0.107 1
1 650 . 2 1 1 A 62 62 MET N N 62 122.153 122.265 -0.112 1
1 651 . 2 1 1 A 62 62 MET H H 62 7.843 8.450 -0.607 1
1 652 . 2 1 1 A 62 62 MET CA C 62 53.470 58.820 -5.350 1
1 653 . 2 1 1 A 62 62 MET HA H 62 4.765 4.187 0.578 1
1 654 . 2 1 1 A 62 62 MET CB C 62 33.144 33.241 -0.097 1
1 662 . 2 1 1 A 62 62 MET C C 62 175.742 176.383 -0.641 1
1 665 . 2 1 1 A 63 63 GLY N N 63 109.196 103.455 5.741 1
1 666 . 2 1 1 A 63 63 GLY H H 63 7.757 7.239 0.518 1
1 667 . 2 1 1 A 63 63 GLY CA C 63 44.092 45.743 -1.651 1
1 668 . 2 1 1 A 63 63 GLY HA3 H 63 4.193 4.036 0.157 1
1 669 . 2 1 1 A 63 63 GLY C C 63 173.451 172.120 1.331 1
1 670 . 2 1 1 A 63 63 GLY HA2 H 63 3.757 4.025 -0.268 1
1 671 . 2 1 1 A 64 64 LYS CA C 64 58.104 57.115 0.989 1
1 672 . 2 1 1 A 64 64 LYS HA H 64 3.994 4.062 -0.068 1
1 673 . 2 1 1 A 64 64 LYS CB C 64 31.766 32.029 -0.263 1
1 681 . 2 1 1 A 64 64 LYS C C 64 177.657 177.016 0.641 1
1 686 . 2 1 1 A 65 65 ASN N N 65 117.648 120.497 -2.849 1
1 687 . 2 1 1 A 65 65 ASN H H 65 8.860 8.998 -0.138 1
1 688 . 2 1 1 A 65 65 ASN CA C 65 54.222 54.370 -0.148 1
1 689 . 2 1 1 A 65 65 ASN HA H 65 4.587 4.268 0.319 1
1 690 . 2 1 1 A 65 65 ASN CB C 65 38.313 37.144 1.169 1
1 695 . 2 1 1 A 65 65 ASN C C 65 173.302 173.955 -0.653 1
1 697 . 2 1 1 A 66 66 SER N N 66 112.701 112.609 0.092 1
1 698 . 2 1 1 A 66 66 SER H H 66 7.367 7.061 0.306 1
1 699 . 2 1 1 A 66 66 SER CA C 66 57.766 57.120 0.646 1
1 700 . 2 1 1 A 66 66 SER HA H 66 5.112 5.273 -0.161 1
1 701 . 2 1 1 A 66 66 SER CB C 66 65.000 66.598 -1.598 1
1 703 . 2 1 1 A 66 66 SER C C 66 172.793 172.723 0.070 1
1 705 . 2 1 1 A 67 67 HIS N N 67 124.096 119.853 4.243 1
1 706 . 2 1 1 A 67 67 HIS H H 67 8.735 8.920 -0.185 1
1 707 . 2 1 1 A 67 67 HIS CA C 67 55.123 54.691 0.432 1
1 708 . 2 1 1 A 67 67 HIS HA H 67 4.975 4.935 0.040 1
1 709 . 2 1 1 A 67 67 HIS CB C 67 34.914 33.941 0.973 1
1 715 . 2 1 1 A 67 67 HIS C C 67 173.884 173.709 0.175 1
1 717 . 2 1 1 A 68 68 CYS N N 68 122.598 123.249 -0.651 1
1 718 . 2 1 1 A 68 68 CYS H H 68 9.333 8.732 0.601 1
1 719 . 2 1 1 A 68 68 CYS CA C 68 56.907 57.186 -0.279 1
1 720 . 2 1 1 A 68 68 CYS HA H 68 5.311 5.134 0.177 1
1 721 . 2 1 1 A 68 68 CYS CB C 68 29.314 30.830 -1.516 1
1 723 . 2 1 1 A 68 68 CYS C C 68 173.554 172.903 0.651 1
1 725 . 2 1 1 A 69 69 VAL N N 69 128.613 126.404 2.209 1
1 726 . 2 1 1 A 69 69 VAL H H 69 9.074 8.540 0.534 1
1 727 . 2 1 1 A 69 69 VAL CA C 69 61.632 61.329 0.303 1
1 728 . 2 1 1 A 69 69 VAL HA H 69 4.725 4.933 -0.208 1
1 729 . 2 1 1 A 69 69 VAL CB C 69 32.387 34.048 -1.661 1
1 739 . 2 1 1 A 69 69 VAL C C 69 174.230 174.900 -0.670 1
1 740 . 2 1 1 A 70 70 ARG N N 70 128.053 126.450 1.603 1
1 741 . 2 1 1 A 70 70 ARG H H 70 9.052 8.277 0.775 1
1 742 . 2 1 1 A 70 70 ARG CA C 70 54.797 54.755 0.042 1
1 743 . 2 1 1 A 70 70 ARG HA H 70 5.761 4.975 0.786 1
1 744 . 2 1 1 A 70 70 ARG CB C 70 34.395 32.013 2.382 1
1 751 . 2 1 1 A 70 70 ARG C C 70 175.918 174.974 0.944 1
1 755 . 2 1 1 A 71 71 PHE N N 71 122.942 117.281 5.661 1
1 756 . 2 1 1 A 71 71 PHE H H 71 8.702 7.737 0.965 1
1 757 . 2 1 1 A 71 71 PHE CA C 71 55.748 56.150 -0.402 1
1 758 . 2 1 1 A 71 71 PHE HA H 71 4.936 5.108 -0.172 1
1 759 . 2 1 1 A 71 71 PHE CB C 71 41.245 40.946 0.299 1
1 771 . 2 1 1 A 71 71 PHE C C 71 171.709 172.126 -0.417 1
1 773 . 2 1 1 A 72 72 VAL N N 72 122.214 120.432 1.782 1
1 774 . 2 1 1 A 72 72 VAL H H 72 8.512 8.955 -0.443 1
1 775 . 2 1 1 A 72 72 VAL CA C 72 58.398 59.463 -1.065 1
1 776 . 2 1 1 A 72 72 VAL HA H 72 4.752 4.712 0.040 1
1 777 . 2 1 1 A 72 72 VAL CB C 72 32.747 32.213 0.534 1
1 787 . 2 1 1 A 72 72 VAL C C 72 174.416 175.172 -0.756 1
1 788 . 2 1 1 A 73 73 PRO CA C 73 62.606 62.663 -0.057 1
1 789 . 2 1 1 A 73 73 PRO HA H 73 4.646 5.080 -0.434 1
1 790 . 2 1 1 A 73 73 PRO CB C 73 33.679 29.698 3.981 1
1 796 . 2 1 1 A 73 73 PRO C C 73 176.757 175.580 1.177 1
1 800 . 2 1 1 A 74 74 GLN N N 74 119.992 118.266 1.726 1
1 801 . 2 1 1 A 74 74 GLN H H 74 9.869 8.374 1.495 1
1 802 . 2 1 1 A 74 74 GLN CA C 74 55.156 54.359 0.797 1
1 803 . 2 1 1 A 74 74 GLN HA H 74 4.602 5.383 -0.781 1
1 804 . 2 1 1 A 74 74 GLN CB C 74 31.405 30.535 0.870 1
1 811 . 2 1 1 A 74 74 GLN C C 74 174.987 174.543 0.444 1
1 814 . 2 1 1 A 75 75 GLU N N 75 119.264 123.217 -3.953 1
1 815 . 2 1 1 A 75 75 GLU H H 75 8.009 9.077 -1.068 1
1 816 . 2 1 1 A 75 75 GLU CA C 75 54.138 54.150 -0.012 1
1 817 . 2 1 1 A 75 75 GLU HA H 75 4.657 4.784 -0.127 1
1 818 . 2 1 1 A 75 75 GLU CB C 75 34.046 33.016 1.030 1
1 822 . 2 1 1 A 75 75 GLU C C 75 173.922 175.845 -1.923 1
1 825 . 2 1 1 A 76 76 MET N N 76 117.176 119.357 -2.181 1
1 826 . 2 1 1 A 76 76 MET H H 76 8.450 8.608 -0.158 1
1 827 . 2 1 1 A 76 76 MET CA C 76 55.468 55.623 -0.155 1
1 828 . 2 1 1 A 76 76 MET HA H 76 4.275 4.816 -0.541 1
1 829 . 2 1 1 A 76 76 MET CB C 76 34.487 33.437 1.050 1
1 837 . 2 1 1 A 76 76 MET C C 76 175.964 175.901 0.063 1
1 840 . 2 1 1 A 77 77 GLY N N 77 106.906 106.693 0.213 1
1 841 . 2 1 1 A 77 77 GLY H H 77 9.058 7.582 1.476 1
1 842 . 2 1 1 A 77 77 GLY CA C 77 43.832 46.156 -2.324 1
1 843 . 2 1 1 A 77 77 GLY HA3 H 77 3.944 4.098 -0.154 1
1 844 . 2 1 1 A 77 77 GLY C C 77 176.459 171.909 4.550 1
1 845 . 2 1 1 A 77 77 GLY HA2 H 77 4.787 4.066 0.721 1
1 846 . 2 1 1 A 78 78 VAL N N 78 125.184 122.471 2.713 1
1 847 . 2 1 1 A 78 78 VAL H H 78 9.293 8.305 0.988 1
1 848 . 2 1 1 A 78 78 VAL CA C 78 64.999 61.587 3.412 1
1 849 . 2 1 1 A 78 78 VAL HA H 78 4.178 4.412 -0.234 1
1 850 . 2 1 1 A 78 78 VAL CB C 78 31.558 33.156 -1.598 1
1 860 . 2 1 1 A 78 78 VAL C C 78 175.942 174.508 1.434 1
1 861 . 2 1 1 A 79 79 HIS N N 79 128.345 127.679 0.666 1
1 862 . 2 1 1 A 79 79 HIS H H 79 9.553 8.595 0.958 1
1 863 . 2 1 1 A 79 79 HIS CA C 79 55.063 54.628 0.435 1
1 864 . 2 1 1 A 79 79 HIS HA H 79 4.798 4.944 -0.146 1
1 865 . 2 1 1 A 79 79 HIS CB C 79 31.489 30.345 1.144 1
1 871 . 2 1 1 A 79 79 HIS C C 79 174.069 174.660 -0.591 1
1 873 . 2 1 1 A 80 80 THR N N 80 114.672 118.096 -3.424 1
1 874 . 2 1 1 A 80 80 THR H H 80 8.452 8.540 -0.088 1
1 875 . 2 1 1 A 80 80 THR CA C 80 61.075 61.631 -0.556 1
1 876 . 2 1 1 A 80 80 THR HA H 80 5.213 5.458 -0.245 1
1 877 . 2 1 1 A 80 80 THR CB C 80 70.795 71.566 -0.771 1
1 883 . 2 1 1 A 80 80 THR C C 80 173.863 173.626 0.237 1
1 884 . 2 1 1 A 81 81 VAL N N 81 127.546 127.300 0.246 1
1 885 . 2 1 1 A 81 81 VAL H H 81 9.701 9.582 0.119 1
1 886 . 2 1 1 A 81 81 VAL CA C 81 60.799 60.885 -0.086 1
1 887 . 2 1 1 A 81 81 VAL HA H 81 4.782 4.946 -0.164 1
1 888 . 2 1 1 A 81 81 VAL CB C 81 33.635 34.400 -0.765 1
1 898 . 2 1 1 A 81 81 VAL C C 81 174.707 174.983 -0.276 1
1 899 . 2 1 1 A 82 82 SER N N 82 123.308 125.800 -2.492 1
1 900 . 2 1 1 A 82 82 SER H H 82 9.104 9.431 -0.327 1
1 901 . 2 1 1 A 82 82 SER CA C 82 56.981 58.056 -1.075 1
1 902 . 2 1 1 A 82 82 SER HA H 82 5.108 5.152 -0.044 1
1 903 . 2 1 1 A 82 82 SER CB C 82 64.728 63.824 0.904 1
1 905 . 2 1 1 A 82 82 SER C C 82 173.688 173.782 -0.094 1
1 907 . 2 1 1 A 83 83 VAL N N 83 129.049 127.150 1.899 1
1 908 . 2 1 1 A 83 83 VAL H H 83 9.925 9.157 0.768 1
1 909 . 2 1 1 A 83 83 VAL CA C 83 61.669 61.485 0.184 1
1 910 . 2 1 1 A 83 83 VAL HA H 83 4.897 4.796 0.101 1
1 911 . 2 1 1 A 83 83 VAL CB C 83 33.590 33.228 0.362 1
1 921 . 2 1 1 A 83 83 VAL C C 83 174.094 175.264 -1.170 1
1 922 . 2 1 1 A 84 84 LYS N N 84 123.792 126.764 -2.972 1
1 923 . 2 1 1 A 84 84 LYS H H 84 8.768 8.966 -0.198 1
1 924 . 2 1 1 A 84 84 LYS CA C 84 54.435 54.263 0.172 1
1 925 . 2 1 1 A 84 84 LYS HA H 84 5.153 5.087 0.066 1
1 926 . 2 1 1 A 84 84 LYS CB C 84 37.608 35.777 1.831 1
1 934 . 2 1 1 A 84 84 LYS C C 84 174.908 174.776 0.132 1
1 939 . 2 1 1 A 85 85 TYR N N 85 120.439 122.899 -2.460 1
1 940 . 2 1 1 A 85 85 TYR H H 85 8.926 9.360 -0.434 1
1 941 . 2 1 1 A 85 85 TYR CA C 85 56.005 57.528 -1.523 1
1 942 . 2 1 1 A 85 85 TYR HA H 85 4.938 4.873 0.065 1
1 943 . 2 1 1 A 85 85 TYR CB C 85 41.386 41.092 0.294 1
1 953 . 2 1 1 A 85 85 TYR C C 85 175.255 174.931 0.324 1
1 955 . 2 1 1 A 86 86 ARG N N 86 127.150 128.477 -1.327 1
1 956 . 2 1 1 A 86 86 ARG H H 86 9.115 9.664 -0.549 1
1 957 . 2 1 1 A 86 86 ARG CA C 86 57.122 57.004 0.118 1
1 958 . 2 1 1 A 86 86 ARG HA H 86 3.659 3.899 -0.240 1
1 959 . 2 1 1 A 86 86 ARG CB C 86 27.563 27.750 -0.187 1
1 965 . 2 1 1 A 86 86 ARG C C 86 176.482 176.448 0.034 1
1 969 . 2 1 1 A 87 87 GLY N N 87 102.394 104.060 -1.666 1
1 970 . 2 1 1 A 87 87 GLY H H 87 8.564 8.614 -0.050 1
1 971 . 2 1 1 A 87 87 GLY CA C 87 45.388 46.378 -0.990 1
1 972 . 2 1 1 A 87 87 GLY HA3 H 87 4.099 3.927 0.172 1
1 973 . 2 1 1 A 87 87 GLY C C 87 173.631 173.424 0.207 1
1 974 . 2 1 1 A 87 87 GLY HA2 H 87 3.460 3.917 -0.457 1
1 975 . 2 1 1 A 88 88 GLN N N 88 119.060 114.604 4.456 1
1 976 . 2 1 1 A 88 88 GLN H H 88 7.665 7.442 0.223 1
1 977 . 2 1 1 A 88 88 GLN CA C 88 53.265 54.437 -1.172 1
1 978 . 2 1 1 A 88 88 GLN HA H 88 4.749 4.763 -0.014 1
1 979 . 2 1 1 A 88 88 GLN CB C 88 31.383 32.105 -0.722 1
1 986 . 2 1 1 A 88 88 GLN C C 88 175.689 174.175 1.514 1
1 989 . 2 1 1 A 89 89 HIS N N 89 123.344 123.164 0.180 1
1 990 . 2 1 1 A 89 89 HIS H H 89 8.789 8.965 -0.176 1
1 991 . 2 1 1 A 89 89 HIS CA C 89 59.011 56.961 2.050 1
1 992 . 2 1 1 A 89 89 HIS HA H 89 4.546 4.629 -0.083 1
1 993 . 2 1 1 A 89 89 HIS CB C 89 32.365 29.600 2.765 1
1 999 . 2 1 1 A 89 89 HIS C C 89 178.152 175.423 2.729 1
1 1001 . 2 1 1 A 90 90 VAL N N 90 117.749 122.724 -4.975 1
1 1002 . 2 1 1 A 90 90 VAL H H 90 8.436 8.160 0.276 1
1 1003 . 2 1 1 A 90 90 VAL CA C 90 60.473 62.259 -1.786 1
1 1004 . 2 1 1 A 90 90 VAL HA H 90 4.535 4.107 0.428 1
1 1005 . 2 1 1 A 90 90 VAL CB C 90 32.489 33.204 -0.715 1
1 1015 . 2 1 1 A 90 90 VAL C C 90 176.018 175.354 0.664 1
1 1016 . 2 1 1 A 91 91 THR N N 91 118.099 117.480 0.619 1
1 1017 . 2 1 1 A 91 91 THR H H 91 8.491 8.465 0.026 1
1 1018 . 2 1 1 A 91 91 THR CA C 91 65.519 65.058 0.461 1
1 1019 . 2 1 1 A 91 91 THR HA H 91 3.924 3.925 -0.001 1
1 1020 . 2 1 1 A 91 91 THR CB C 91 68.972 68.341 0.631 1
1 1026 . 2 1 1 A 91 91 THR C C 91 174.771 175.994 -1.223 1
1 1027 . 2 1 1 A 92 92 GLY N N 92 116.032 115.066 0.966 1
1 1028 . 2 1 1 A 92 92 GLY H H 92 8.563 8.931 -0.368 1
1 1029 . 2 1 1 A 92 92 GLY CA C 92 44.842 45.314 -0.472 1
1 1030 . 2 1 1 A 92 92 GLY HA3 H 92 4.213 4.086 0.127 1
1 1031 . 2 1 1 A 92 92 GLY C C 92 172.199 172.914 -0.715 1
1 1032 . 2 1 1 A 92 92 GLY HA2 H 92 3.361 3.933 -0.572 1
1 1033 . 2 1 1 A 93 93 SER N N 93 113.106 115.668 -2.562 1
1 1034 . 2 1 1 A 93 93 SER H H 93 7.806 7.267 0.539 1
1 1035 . 2 1 1 A 93 93 SER CA C 93 54.600 54.465 0.135 1
1 1036 . 2 1 1 A 93 93 SER HA H 93 4.159 3.968 0.191 1
1 1037 . 2 1 1 A 93 93 SER CB C 93 62.787 65.044 -2.257 1
1 1039 . 2 1 1 A 93 93 SER C C 93 174.123 172.261 1.862 1
1 1041 . 2 1 1 A 94 94 PRO CA C 94 62.619 62.330 0.289 1
1 1042 . 2 1 1 A 94 94 PRO HA H 94 5.537 4.519 1.018 1
1 1043 . 2 1 1 A 94 94 PRO CB C 94 34.521 32.741 1.780 1
1 1049 . 2 1 1 A 94 94 PRO C C 94 176.046 174.836 1.210 1
1 1053 . 2 1 1 A 95 95 PHE N N 95 120.547 119.468 1.079 1
1 1054 . 2 1 1 A 95 95 PHE H H 95 9.127 8.900 0.227 1
1 1055 . 2 1 1 A 95 95 PHE CA C 95 56.700 57.091 -0.391 1
1 1056 . 2 1 1 A 95 95 PHE HA H 95 4.844 5.089 -0.245 1
1 1057 . 2 1 1 A 95 95 PHE CB C 95 41.285 41.032 0.253 1
1 1069 . 2 1 1 A 95 95 PHE C C 95 175.219 174.778 0.441 1
1 1071 . 2 1 1 A 96 96 GLN N N 96 120.382 122.113 -1.731 1
1 1072 . 2 1 1 A 96 96 GLN H H 96 8.896 8.749 0.147 1
1 1073 . 2 1 1 A 96 96 GLN CA C 96 55.028 54.692 0.336 1
1 1074 . 2 1 1 A 96 96 GLN HA H 96 5.440 5.358 0.082 1
1 1075 . 2 1 1 A 96 96 GLN CB C 96 31.867 31.255 0.612 1
1 1082 . 2 1 1 A 96 96 GLN C C 96 175.480 175.231 0.249 1
1 1085 . 2 1 1 A 97 97 PHE N N 97 121.331 119.254 2.077 1
1 1086 . 2 1 1 A 97 97 PHE H H 97 8.822 8.731 0.091 1
1 1087 . 2 1 1 A 97 97 PHE CA C 97 56.931 55.741 1.190 1
1 1088 . 2 1 1 A 97 97 PHE HA H 97 4.960 5.384 -0.424 1
1 1089 . 2 1 1 A 97 97 PHE CB C 97 42.133 42.330 -0.197 1
1 1101 . 2 1 1 A 97 97 PHE C C 97 173.780 172.565 1.215 1
1 1103 . 2 1 1 A 98 98 THR N N 98 121.160 116.999 4.161 1
1 1104 . 2 1 1 A 98 98 THR H H 98 8.907 8.961 -0.054 1
1 1105 . 2 1 1 A 98 98 THR CA C 98 63.381 62.425 0.956 1
1 1106 . 2 1 1 A 98 98 THR HA H 98 4.487 4.624 -0.137 1
1 1107 . 2 1 1 A 98 98 THR CB C 98 69.599 69.799 -0.200 1
1 1113 . 2 1 1 A 98 98 THR C C 98 173.058 173.868 -0.810 1
1 1114 . 2 1 1 A 99 99 VAL N N 99 128.111 125.122 2.989 1
1 1115 . 2 1 1 A 99 99 VAL H H 99 8.240 8.768 -0.528 1
1 1116 . 2 1 1 A 99 99 VAL CA C 99 61.670 60.153 1.517 1
1 1117 . 2 1 1 A 99 99 VAL HA H 99 4.271 4.971 -0.700 1
1 1118 . 2 1 1 A 99 99 VAL CB C 99 32.962 34.867 -1.905 1
1 1128 . 2 1 1 A 99 99 VAL C C 99 176.689 174.902 1.787 1
1 1129 . 2 1 1 A 100 100 GLY N N 100 118.412 112.225 6.187 1
1 1130 . 2 1 1 A 100 100 GLY H H 100 8.946 8.316 0.630 1
1 1131 . 2 1 1 A 100 100 GLY CA C 100 44.504 44.197 0.307 1
1 1132 . 2 1 1 A 100 100 GLY HA3 H 100 4.506 4.376 0.130 1
1 1133 . 2 1 1 A 100 100 GLY C C 100 170.474 171.853 -1.379 1
1 1134 . 2 1 1 A 100 100 GLY HA2 H 100 4.136 4.375 -0.239 1
1 1135 . 2 1 1 A 101 101 PRO CA C 101 62.588 62.894 -0.306 1
1 1136 . 2 1 1 A 101 101 PRO HA H 101 4.525 4.548 -0.023 1
1 1137 . 2 1 1 A 101 101 PRO CB C 101 32.641 32.097 0.544 1
1 1143 . 2 1 1 A 101 101 PRO C C 101 176.696 176.353 0.343 1
1 1147 . 2 1 1 A 102 102 LEU N N 102 121.326 122.778 -1.452 1
1 1148 . 2 1 1 A 102 102 LEU H H 102 8.374 8.274 0.100 1
1 1149 . 2 1 1 A 102 102 LEU CA C 102 55.855 55.138 0.717 1
1 1150 . 2 1 1 A 102 102 LEU HA H 102 4.221 4.498 -0.277 1
1 1151 . 2 1 1 A 102 102 LEU CB C 102 42.652 42.865 -0.213 1
1 1163 . 2 1 1 A 102 102 LEU C C 102 178.005 176.143 1.862 1
1 1165 . 2 1 1 A 103 103 GLY N N 103 110.870 112.409 -1.539 1
1 1166 . 2 1 1 A 103 103 GLY H H 103 8.481 8.466 0.015 1
1 1167 . 2 1 1 A 103 103 GLY CA C 103 45.208 44.742 0.466 1
1 1168 . 2 1 1 A 103 103 GLY HA3 H 103 3.927 4.315 -0.388 1
1 1169 . 2 1 1 A 103 103 GLY C C 103 174.126 172.254 1.872 1
1 1170 . 2 1 1 A 103 103 GLY HA2 H 103 3.991 4.314 -0.323 1
1 1171 . 2 1 1 A 104 104 GLU N N 104 120.771 120.500 0.271 1
1 1172 . 2 1 1 A 104 104 GLU H H 104 8.308 8.566 -0.258 1
1 1173 . 2 1 1 A 104 104 GLU CA C 104 56.713 54.853 1.860 1
1 1174 . 2 1 1 A 104 104 GLU HA H 104 4.318 5.048 -0.730 1
1 1175 . 2 1 1 A 104 104 GLU CB C 104 30.470 33.028 -2.558 1
1 1179 . 2 1 1 A 104 104 GLU C C 104 177.052 176.496 0.556 1
1 1182 . 2 1 1 A 105 105 GLY N N 105 110.589 114.219 -3.630 1
1 1183 . 2 1 1 A 105 105 GLY H H 105 8.546 8.549 -0.003 1
1 1184 . 2 1 1 A 105 105 GLY CA C 105 45.256 45.982 -0.726 1
1 1185 . 2 1 1 A 105 105 GLY HA3 H 105 3.925 3.922 0.003 1
1 1186 . 2 1 1 A 105 105 GLY C C 105 173.795 175.147 -1.352 1
1 1187 . 2 1 1 A 105 105 GLY HA2 H 105 3.992 3.922 0.070 1
1 1 . 3 1 1 A 7 7 GLY CA C 7 45.415 45.828 -0.413 1
1 2 . 3 1 1 A 7 7 GLY HA3 H 7 3.972 4.176 -0.204 1
1 3 . 3 1 1 A 7 7 GLY C C 7 174.102 173.190 0.912 1
1 4 . 3 1 1 A 7 7 GLY HA2 H 7 3.972 4.175 -0.203 1
1 5 . 3 1 1 A 8 8 ARG N N 8 120.724 118.203 2.521 1
1 6 . 3 1 1 A 8 8 ARG H H 8 8.124 8.675 -0.551 1
1 7 . 3 1 1 A 8 8 ARG CA C 8 56.123 56.775 -0.652 1
1 8 . 3 1 1 A 8 8 ARG HA H 8 4.363 3.781 0.582 1
1 9 . 3 1 1 A 8 8 ARG CB C 8 30.881 28.029 2.852 1
1 15 . 3 1 1 A 8 8 ARG C C 8 176.487 175.166 1.321 1
1 19 . 3 1 1 A 9 9 VAL N N 9 121.839 119.509 2.330 1
1 20 . 3 1 1 A 9 9 VAL H H 9 8.204 7.973 0.231 1
1 21 . 3 1 1 A 9 9 VAL CA C 9 62.438 62.233 0.205 1
1 22 . 3 1 1 A 9 9 VAL HA H 9 4.081 4.139 -0.058 1
1 23 . 3 1 1 A 9 9 VAL CB C 9 32.773 32.518 0.255 1
1 33 . 3 1 1 A 9 9 VAL C C 9 176.204 174.982 1.222 1
1 34 . 3 1 1 A 10 10 LYS N N 10 125.552 127.368 -1.816 1
1 35 . 3 1 1 A 10 10 LYS H H 10 8.437 8.938 -0.501 1
1 36 . 3 1 1 A 10 10 LYS CA C 10 56.575 55.484 1.091 1
1 37 . 3 1 1 A 10 10 LYS HA H 10 4.280 4.557 -0.277 1
1 38 . 3 1 1 A 10 10 LYS CB C 10 33.046 32.166 0.880 1
1 46 . 3 1 1 A 10 10 LYS C C 10 176.486 177.711 -1.225 1
1 51 . 3 1 1 A 11 11 GLU N N 11 122.741 124.862 -2.121 1
1 52 . 3 1 1 A 11 11 GLU H H 11 8.490 8.847 -0.357 1
1 53 . 3 1 1 A 11 11 GLU CA C 11 56.717 59.165 -2.448 1
1 54 . 3 1 1 A 11 11 GLU HA H 11 4.303 4.132 0.171 1
1 55 . 3 1 1 A 11 11 GLU CB C 11 30.422 29.008 1.414 1
1 59 . 3 1 1 A 11 11 GLU C C 11 176.428 176.450 -0.022 1
1 62 . 3 1 1 A 12 12 SER N N 12 117.227 116.140 1.087 1
1 63 . 3 1 1 A 12 12 SER H H 12 8.434 7.800 0.634 1
1 64 . 3 1 1 A 12 12 SER CA C 12 58.340 57.212 1.128 1
1 65 . 3 1 1 A 12 12 SER HA H 12 4.477 4.492 -0.015 1
1 66 . 3 1 1 A 12 12 SER CB C 12 63.670 63.688 -0.018 1
1 68 . 3 1 1 A 12 12 SER C C 12 174.574 173.706 0.868 1
1 70 . 3 1 1 A 13 13 ILE N N 13 122.704 129.179 -6.475 1
1 71 . 3 1 1 A 13 13 ILE H H 13 8.189 8.555 -0.366 1
1 72 . 3 1 1 A 13 13 ILE CA C 13 61.364 62.020 -0.656 1
1 73 . 3 1 1 A 13 13 ILE HA H 13 4.270 4.323 -0.053 1
1 74 . 3 1 1 A 13 13 ILE CB C 13 38.870 39.060 -0.190 1
1 86 . 3 1 1 A 13 13 ILE C C 13 176.445 175.047 1.398 1
1 88 . 3 1 1 A 14 14 THR N N 14 118.671 118.411 0.260 1
1 89 . 3 1 1 A 14 14 THR H H 14 8.265 8.238 0.027 1
1 90 . 3 1 1 A 14 14 THR CA C 14 62.080 60.638 1.442 1
1 91 . 3 1 1 A 14 14 THR HA H 14 4.338 5.050 -0.712 1
1 92 . 3 1 1 A 14 14 THR CB C 14 69.779 70.196 -0.417 1
1 98 . 3 1 1 A 14 14 THR C C 14 174.465 174.817 -0.352 1
1 99 . 3 1 1 A 15 15 ARG N N 15 124.132 126.603 -2.471 1
1 100 . 3 1 1 A 15 15 ARG H H 15 8.428 8.682 -0.254 1
1 101 . 3 1 1 A 15 15 ARG CA C 15 56.221 59.512 -3.291 1
1 102 . 3 1 1 A 15 15 ARG HA H 15 4.447 4.107 0.340 1
1 103 . 3 1 1 A 15 15 ARG CB C 15 30.949 30.521 0.428 1
1 109 . 3 1 1 A 15 15 ARG C C 15 176.374 176.502 -0.128 1
1 113 . 3 1 1 A 16 16 THR N N 16 115.339 111.493 3.846 1
1 114 . 3 1 1 A 16 16 THR H H 16 8.232 7.700 0.532 1
1 115 . 3 1 1 A 16 16 THR CA C 16 61.828 59.984 1.844 1
1 116 . 3 1 1 A 16 16 THR HA H 16 4.389 4.767 -0.378 1
1 117 . 3 1 1 A 16 16 THR CB C 16 69.896 70.770 -0.874 1
1 123 . 3 1 1 A 16 16 THR C C 16 174.518 173.969 0.549 1
1 124 . 3 1 1 A 17 17 SER N N 17 118.278 116.883 1.395 1
1 125 . 3 1 1 A 17 17 SER H H 17 8.331 8.768 -0.437 1
1 126 . 3 1 1 A 17 17 SER CA C 17 58.326 57.471 0.855 1
1 127 . 3 1 1 A 17 17 SER HA H 17 4.500 4.790 -0.290 1
1 128 . 3 1 1 A 17 17 SER CB C 17 63.918 63.870 0.048 1
1 130 . 3 1 1 A 17 17 SER C C 17 174.172 174.237 -0.065 1
1 132 . 3 1 1 A 18 18 ARG N N 18 122.935 125.392 -2.457 1
1 133 . 3 1 1 A 18 18 ARG H H 18 8.376 8.480 -0.104 1
1 134 . 3 1 1 A 18 18 ARG CA C 18 55.772 56.968 -1.196 1
1 135 . 3 1 1 A 18 18 ARG HA H 18 4.386 4.255 0.131 1
1 136 . 3 1 1 A 18 18 ARG CB C 18 31.073 30.818 0.255 1
1 142 . 3 1 1 A 18 18 ARG C C 18 175.493 175.240 0.253 1
1 146 . 3 1 1 A 19 19 ALA N N 19 126.804 127.118 -0.314 1
1 147 . 3 1 1 A 19 19 ALA H H 19 8.357 8.679 -0.322 1
1 148 . 3 1 1 A 19 19 ALA CA C 19 50.553 49.906 0.647 1
1 149 . 3 1 1 A 19 19 ALA HA H 19 4.585 4.806 -0.221 1
1 150 . 3 1 1 A 19 19 ALA CB C 19 18.208 22.132 -3.924 1
1 154 . 3 1 1 A 19 19 ALA C C 19 175.408 174.181 1.227 1
1 155 . 3 1 1 A 20 20 PRO CA C 20 63.352 62.662 0.690 1
1 156 . 3 1 1 A 20 20 PRO HA H 20 4.455 4.837 -0.382 1
1 157 . 3 1 1 A 20 20 PRO CB C 20 32.196 33.052 -0.856 1
1 163 . 3 1 1 A 20 20 PRO C C 20 176.846 176.935 -0.089 1
1 167 . 3 1 1 A 21 21 SER N N 21 116.414 116.708 -0.294 1
1 168 . 3 1 1 A 21 21 SER H H 21 8.449 8.764 -0.315 1
1 169 . 3 1 1 A 21 21 SER CA C 21 58.507 57.617 0.890 1
1 170 . 3 1 1 A 21 21 SER HA H 21 4.475 4.851 -0.376 1
1 171 . 3 1 1 A 21 21 SER CB C 21 63.851 63.753 0.098 1
1 173 . 3 1 1 A 21 21 SER C C 21 174.344 173.580 0.764 1
1 175 . 3 1 1 A 22 22 VAL N N 22 120.580 119.100 1.480 1
1 176 . 3 1 1 A 22 22 VAL H H 22 8.110 7.449 0.661 1
1 177 . 3 1 1 A 22 22 VAL CA C 22 61.788 61.391 0.397 1
1 178 . 3 1 1 A 22 22 VAL HA H 22 4.293 4.302 -0.009 1
1 179 . 3 1 1 A 22 22 VAL CB C 22 33.445 33.102 0.343 1
1 189 . 3 1 1 A 22 22 VAL C C 22 175.160 175.046 0.114 1
1 190 . 3 1 1 A 23 23 ALA N N 23 127.788 125.664 2.124 1
1 191 . 3 1 1 A 23 23 ALA H H 23 8.428 8.892 -0.464 1
1 192 . 3 1 1 A 23 23 ALA CA C 23 51.790 51.829 -0.039 1
1 193 . 3 1 1 A 23 23 ALA HA H 23 4.594 4.816 -0.222 1
1 194 . 3 1 1 A 23 23 ALA CB C 23 21.050 23.132 -2.082 1
1 198 . 3 1 1 A 23 23 ALA C C 23 176.198 175.366 0.832 1
1 199 . 3 1 1 A 24 24 THR N N 24 115.139 116.761 -1.622 1
1 200 . 3 1 1 A 24 24 THR H H 24 8.338 8.384 -0.046 1
1 201 . 3 1 1 A 24 24 THR CA C 24 60.519 59.743 0.776 1
1 202 . 3 1 1 A 24 24 THR HA H 24 4.674 5.201 -0.527 1
1 203 . 3 1 1 A 24 24 THR CB C 24 72.048 71.082 0.966 1
1 209 . 3 1 1 A 24 24 THR C C 24 173.979 172.347 1.632 1
1 210 . 3 1 1 A 25 25 VAL N N 25 122.772 122.934 -0.162 1
1 211 . 3 1 1 A 25 25 VAL H H 25 8.002 8.768 -0.766 1
1 212 . 3 1 1 A 25 25 VAL CA C 25 64.582 59.957 4.625 1
1 213 . 3 1 1 A 25 25 VAL HA H 25 3.280 4.693 -1.413 1
1 214 . 3 1 1 A 25 25 VAL CB C 25 32.102 34.065 -1.963 1
1 224 . 3 1 1 A 25 25 VAL C C 25 176.709 175.960 0.749 1
1 225 . 3 1 1 A 26 26 GLY N N 26 112.345 116.426 -4.081 1
1 226 . 3 1 1 A 26 26 GLY H H 26 8.344 8.911 -0.567 1
1 227 . 3 1 1 A 26 26 GLY CA C 26 45.534 46.606 -1.072 1
1 228 . 3 1 1 A 26 26 GLY HA3 H 26 4.166 3.959 0.207 1
1 229 . 3 1 1 A 26 26 GLY C C 26 173.701 173.406 0.295 1
1 230 . 3 1 1 A 26 26 GLY HA2 H 26 3.519 3.945 -0.426 1
1 231 . 3 1 1 A 27 27 SER N N 27 116.474 113.246 3.228 1
1 232 . 3 1 1 A 27 27 SER H H 27 7.738 7.677 0.061 1
1 233 . 3 1 1 A 27 27 SER CA C 27 57.264 57.218 0.046 1
1 234 . 3 1 1 A 27 27 SER HA H 27 4.692 4.784 -0.092 1
1 235 . 3 1 1 A 27 27 SER CB C 27 65.270 64.898 0.372 1
1 237 . 3 1 1 A 27 27 SER C C 27 172.491 173.090 -0.599 1
1 239 . 3 1 1 A 28 28 ILE N N 28 122.052 124.297 -2.245 1
1 240 . 3 1 1 A 28 28 ILE H H 28 8.350 8.520 -0.170 1
1 241 . 3 1 1 A 28 28 ILE CA C 28 62.995 62.202 0.793 1
1 242 . 3 1 1 A 28 28 ILE HA H 28 3.693 4.134 -0.441 1
1 243 . 3 1 1 A 28 28 ILE CB C 28 38.221 36.996 1.225 1
1 255 . 3 1 1 A 28 28 ILE C C 28 175.624 175.372 0.252 1
1 257 . 3 1 1 A 29 29 CYS N N 29 129.493 127.007 2.486 1
1 258 . 3 1 1 A 29 29 CYS H H 29 8.730 8.488 0.242 1
1 259 . 3 1 1 A 29 29 CYS CA C 29 58.201 56.820 1.381 1
1 260 . 3 1 1 A 29 29 CYS HA H 29 4.451 4.942 -0.491 1
1 261 . 3 1 1 A 29 29 CYS CB C 29 28.560 28.678 -0.118 1
1 263 . 3 1 1 A 29 29 CYS C C 29 171.207 173.627 -2.420 1
1 265 . 3 1 1 A 30 30 ASP N N 30 123.789 125.808 -2.019 1
1 266 . 3 1 1 A 30 30 ASP H H 30 8.000 8.520 -0.520 1
1 267 . 3 1 1 A 30 30 ASP CA C 30 52.692 53.794 -1.102 1
1 268 . 3 1 1 A 30 30 ASP HA H 30 5.315 4.680 0.635 1
1 269 . 3 1 1 A 30 30 ASP CB C 30 43.397 40.912 2.485 1
1 271 . 3 1 1 A 30 30 ASP C C 30 175.569 175.250 0.319 1
1 273 . 3 1 1 A 31 31 LEU N N 31 125.116 126.337 -1.221 1
1 274 . 3 1 1 A 31 31 LEU H H 31 9.147 8.856 0.291 1
1 275 . 3 1 1 A 31 31 LEU CA C 31 53.606 53.619 -0.013 1
1 276 . 3 1 1 A 31 31 LEU HA H 31 4.515 4.805 -0.290 1
1 277 . 3 1 1 A 31 31 LEU CB C 31 43.262 43.942 -0.680 1
1 289 . 3 1 1 A 31 31 LEU C C 31 174.935 174.829 0.106 1
1 291 . 3 1 1 A 32 32 ASN N N 32 124.687 125.510 -0.823 1
1 292 . 3 1 1 A 32 32 ASN H H 32 8.690 8.684 0.006 1
1 293 . 3 1 1 A 32 32 ASN CA C 32 53.696 53.173 0.523 1
1 294 . 3 1 1 A 32 32 ASN HA H 32 5.077 5.033 0.044 1
1 295 . 3 1 1 A 32 32 ASN CB C 32 39.842 39.204 0.638 1
1 300 . 3 1 1 A 32 32 ASN C C 32 174.322 174.602 -0.280 1
1 302 . 3 1 1 A 33 33 LEU N N 33 123.838 125.795 -1.957 1
1 303 . 3 1 1 A 33 33 LEU H H 33 8.912 8.671 0.241 1
1 304 . 3 1 1 A 33 33 LEU CA C 33 53.820 53.384 0.436 1
1 305 . 3 1 1 A 33 33 LEU HA H 33 4.638 4.889 -0.251 1
1 306 . 3 1 1 A 33 33 LEU CB C 33 45.587 44.088 1.499 1
1 318 . 3 1 1 A 33 33 LEU C C 33 175.719 175.892 -0.173 1
1 320 . 3 1 1 A 34 34 LYS N N 34 124.925 124.126 0.799 1
1 321 . 3 1 1 A 34 34 LYS H H 34 8.718 8.665 0.053 1
1 322 . 3 1 1 A 34 34 LYS CA C 34 55.079 55.825 -0.746 1
1 323 . 3 1 1 A 34 34 LYS HA H 34 5.036 4.512 0.524 1
1 324 . 3 1 1 A 34 34 LYS CB C 34 32.121 31.073 1.048 1
1 332 . 3 1 1 A 34 34 LYS C C 34 176.081 175.010 1.071 1
1 337 . 3 1 1 A 35 35 ILE N N 35 123.769 126.630 -2.861 1
1 338 . 3 1 1 A 35 35 ILE H H 35 7.935 8.178 -0.243 1
1 339 . 3 1 1 A 35 35 ILE CA C 35 58.161 57.379 0.782 1
1 340 . 3 1 1 A 35 35 ILE HA H 35 4.612 4.566 0.046 1
1 341 . 3 1 1 A 35 35 ILE CB C 35 40.616 39.145 1.471 1
1 353 . 3 1 1 A 35 35 ILE C C 35 173.405 174.426 -1.021 1
1 355 . 3 1 1 A 36 36 PRO CA C 36 63.143 62.325 0.818 1
1 356 . 3 1 1 A 36 36 PRO HA H 36 4.435 4.599 -0.164 1
1 357 . 3 1 1 A 36 36 PRO CB C 36 32.806 33.257 -0.451 1
1 363 . 3 1 1 A 36 36 PRO C C 36 176.844 177.066 -0.222 1
1 367 . 3 1 1 A 37 37 GLU N N 37 114.188 119.957 -5.769 1
1 368 . 3 1 1 A 37 37 GLU H H 37 8.358 8.717 -0.359 1
1 369 . 3 1 1 A 37 37 GLU CA C 37 59.038 59.719 -0.681 1
1 370 . 3 1 1 A 37 37 GLU HA H 37 3.916 4.013 -0.097 1
1 371 . 3 1 1 A 37 37 GLU CB C 37 28.206 29.277 -1.071 1
1 375 . 3 1 1 A 37 37 GLU C C 37 175.996 177.679 -1.683 1
1 378 . 3 1 1 A 38 38 ILE N N 38 118.733 122.542 -3.809 1
1 379 . 3 1 1 A 38 38 ILE H H 38 7.679 7.457 0.222 1
1 380 . 3 1 1 A 38 38 ILE CA C 38 60.711 62.204 -1.493 1
1 381 . 3 1 1 A 38 38 ILE HA H 38 4.029 3.884 0.145 1
1 382 . 3 1 1 A 38 38 ILE CB C 38 40.278 37.691 2.587 1
1 394 . 3 1 1 A 38 38 ILE C C 38 175.255 176.325 -1.070 1
1 396 . 3 1 1 A 39 39 ASN H H 39 8.593 8.643 -0.050 1
1 397 . 3 1 1 A 39 39 ASN CA C 39 52.929 53.468 -0.539 1
1 398 . 3 1 1 A 39 39 ASN HA H 39 4.921 4.881 0.040 1
1 399 . 3 1 1 A 39 39 ASN CB C 39 39.419 39.777 -0.358 1
1 404 . 3 1 1 A 39 39 ASN C C 39 176.891 175.510 1.381 1
1 406 . 3 1 1 A 40 40 SER N N 40 120.676 116.868 3.808 1
1 407 . 3 1 1 A 40 40 SER H H 40 8.995 8.924 0.071 1
1 408 . 3 1 1 A 40 40 SER CA C 40 62.318 61.736 0.582 1
1 409 . 3 1 1 A 40 40 SER HA H 40 4.058 4.405 -0.347 1
1 410 . 3 1 1 A 40 40 SER CB C 40 63.297 63.979 -0.682 1
1 412 . 3 1 1 A 40 40 SER C C 40 176.866 175.937 0.929 1
1 414 . 3 1 1 A 41 41 SER N N 41 112.249 117.464 -5.215 1
1 415 . 3 1 1 A 41 41 SER H H 41 8.253 8.208 0.045 1
1 416 . 3 1 1 A 41 41 SER CA C 41 60.133 61.460 -1.327 1
1 417 . 3 1 1 A 41 41 SER HA H 41 4.348 4.317 0.031 1
1 418 . 3 1 1 A 41 41 SER CB C 41 62.986 63.162 -0.176 1
1 420 . 3 1 1 A 41 41 SER C C 41 174.885 175.535 -0.650 1
1 422 . 3 1 1 A 42 42 ASP N N 42 119.471 118.700 0.771 1
1 423 . 3 1 1 A 42 42 ASP H H 42 7.835 7.862 -0.027 1
1 424 . 3 1 1 A 42 42 ASP CA C 42 54.713 56.541 -1.828 1
1 425 . 3 1 1 A 42 42 ASP HA H 42 4.933 4.640 0.293 1
1 426 . 3 1 1 A 42 42 ASP CB C 42 42.479 41.662 0.817 1
1 428 . 3 1 1 A 42 42 ASP C C 42 175.586 176.980 -1.394 1
1 430 . 3 1 1 A 43 43 MET N N 43 119.155 118.786 0.369 1
1 431 . 3 1 1 A 43 43 MET H H 43 7.549 8.086 -0.537 1
1 432 . 3 1 1 A 43 43 MET CA C 43 54.927 55.016 -0.089 1
1 433 . 3 1 1 A 43 43 MET HA H 43 5.359 4.893 0.466 1
1 434 . 3 1 1 A 43 43 MET CB C 43 37.158 34.229 2.929 1
1 442 . 3 1 1 A 43 43 MET C C 43 174.894 175.200 -0.306 1
1 445 . 3 1 1 A 44 44 SER N N 44 114.070 112.899 1.171 1
1 446 . 3 1 1 A 44 44 SER H H 44 8.739 8.501 0.238 1
1 447 . 3 1 1 A 44 44 SER CA C 44 56.937 57.688 -0.751 1
1 448 . 3 1 1 A 44 44 SER HA H 44 4.700 5.383 -0.683 1
1 449 . 3 1 1 A 44 44 SER CB C 44 66.247 65.636 0.611 1
1 451 . 3 1 1 A 44 44 SER C C 44 172.764 172.634 0.130 1
1 453 . 3 1 1 A 45 45 ALA N N 45 126.192 129.288 -3.096 1
1 454 . 3 1 1 A 45 45 ALA H H 45 9.123 9.008 0.115 1
1 455 . 3 1 1 A 45 45 ALA CA C 45 50.378 50.328 0.050 1
1 456 . 3 1 1 A 45 45 ALA HA H 45 5.741 5.331 0.410 1
1 457 . 3 1 1 A 45 45 ALA CB C 45 23.330 20.825 2.505 1
1 461 . 3 1 1 A 45 45 ALA C C 45 175.089 176.363 -1.274 1
1 462 . 3 1 1 A 46 46 HIS N N 46 119.075 119.021 0.054 1
1 463 . 3 1 1 A 46 46 HIS H H 46 8.701 8.615 0.086 1
1 464 . 3 1 1 A 46 46 HIS CA C 46 55.999 54.957 1.042 1
1 465 . 3 1 1 A 46 46 HIS HA H 46 5.157 4.814 0.343 1
1 466 . 3 1 1 A 46 46 HIS CB C 46 34.239 33.301 0.938 1
1 472 . 3 1 1 A 46 46 HIS C C 46 174.155 173.885 0.270 1
1 474 . 3 1 1 A 47 47 VAL N N 47 125.059 124.282 0.777 1
1 475 . 3 1 1 A 47 47 VAL H H 47 9.488 8.698 0.790 1
1 476 . 3 1 1 A 47 47 VAL CA C 47 60.604 62.669 -2.065 1
1 477 . 3 1 1 A 47 47 VAL HA H 47 4.730 4.285 0.445 1
1 478 . 3 1 1 A 47 47 VAL CB C 47 33.769 32.072 1.697 1
1 488 . 3 1 1 A 47 47 VAL C C 47 175.126 175.895 -0.769 1
1 489 . 3 1 1 A 48 48 THR N N 48 124.473 124.067 0.406 1
1 490 . 3 1 1 A 48 48 THR H H 48 9.432 8.862 0.570 1
1 491 . 3 1 1 A 48 48 THR CA C 48 61.766 62.526 -0.760 1
1 492 . 3 1 1 A 48 48 THR HA H 48 5.164 4.437 0.727 1
1 493 . 3 1 1 A 48 48 THR CB C 48 69.384 69.908 -0.524 1
1 499 . 3 1 1 A 48 48 THR C C 48 174.573 174.390 0.183 1
1 500 . 3 1 1 A 49 49 SER N N 49 125.657 120.880 4.777 1
1 501 . 3 1 1 A 49 49 SER H H 49 9.043 9.162 -0.119 1
1 502 . 3 1 1 A 49 49 SER CA C 49 56.638 56.605 0.033 1
1 503 . 3 1 1 A 49 49 SER HA H 49 4.225 4.641 -0.416 1
1 504 . 3 1 1 A 49 49 SER CB C 49 62.948 63.197 -0.249 1
1 506 . 3 1 1 A 49 49 SER C C 49 174.034 174.227 -0.193 1
1 508 . 3 1 1 A 50 50 PRO CA C 50 65.784 64.056 1.728 1
1 509 . 3 1 1 A 50 50 PRO HA H 50 4.260 4.455 -0.195 1
1 510 . 3 1 1 A 50 50 PRO CB C 50 31.493 31.607 -0.114 1
1 516 . 3 1 1 A 50 50 PRO C C 50 177.687 176.902 0.785 1
1 520 . 3 1 1 A 51 51 SER N N 51 110.322 111.652 -1.330 1
1 521 . 3 1 1 A 51 51 SER H H 51 8.349 7.753 0.596 1
1 522 . 3 1 1 A 51 51 SER CA C 51 59.076 58.445 0.631 1
1 523 . 3 1 1 A 51 51 SER HA H 51 4.332 4.537 -0.205 1
1 524 . 3 1 1 A 51 51 SER CB C 51 62.825 65.283 -2.458 1
1 526 . 3 1 1 A 51 51 SER C C 51 175.363 175.065 0.298 1
1 528 . 3 1 1 A 52 52 GLY N N 52 111.132 109.431 1.701 1
1 529 . 3 1 1 A 52 52 GLY H H 52 8.289 7.759 0.530 1
1 530 . 3 1 1 A 52 52 GLY CA C 52 44.831 45.331 -0.500 1
1 531 . 3 1 1 A 52 52 GLY HA3 H 52 4.302 4.013 0.289 1
1 532 . 3 1 1 A 52 52 GLY C C 52 174.002 174.836 -0.834 1
1 533 . 3 1 1 A 52 52 GLY HA2 H 52 3.421 4.011 -0.590 1
1 534 . 3 1 1 A 53 53 ARG N N 53 121.515 120.659 0.856 1
1 535 . 3 1 1 A 53 53 ARG H H 53 7.322 7.257 0.065 1
1 536 . 3 1 1 A 53 53 ARG CA C 53 56.749 56.774 -0.025 1
1 537 . 3 1 1 A 53 53 ARG HA H 53 4.222 4.315 -0.093 1
1 538 . 3 1 1 A 53 53 ARG CB C 53 30.430 31.617 -1.187 1
1 544 . 3 1 1 A 53 53 ARG C C 53 176.023 174.938 1.085 1
1 548 . 3 1 1 A 54 54 VAL N N 54 128.383 122.039 6.344 1
1 549 . 3 1 1 A 54 54 VAL H H 54 8.780 8.633 0.147 1
1 550 . 3 1 1 A 54 54 VAL CA C 54 61.533 60.981 0.552 1
1 551 . 3 1 1 A 54 54 VAL HA H 54 5.243 4.871 0.372 1
1 552 . 3 1 1 A 54 54 VAL CB C 54 33.205 35.502 -2.297 1
1 562 . 3 1 1 A 54 54 VAL C C 54 176.783 175.724 1.059 1
1 563 . 3 1 1 A 55 55 THR N N 55 121.757 117.185 4.572 1
1 564 . 3 1 1 A 55 55 THR H H 55 9.188 8.706 0.482 1
1 565 . 3 1 1 A 55 55 THR CA C 55 60.216 60.259 -0.043 1
1 566 . 3 1 1 A 55 55 THR HA H 55 4.751 5.049 -0.298 1
1 567 . 3 1 1 A 55 55 THR CB C 55 71.896 70.902 0.994 1
1 573 . 3 1 1 A 55 55 THR C C 55 173.454 172.593 0.861 1
1 574 . 3 1 1 A 56 56 GLU N N 56 125.373 120.901 4.472 1
1 575 . 3 1 1 A 56 56 GLU H H 56 8.927 8.770 0.157 1
1 576 . 3 1 1 A 56 56 GLU CA C 56 57.019 54.206 2.813 1
1 577 . 3 1 1 A 56 56 GLU HA H 56 4.365 4.846 -0.481 1
1 578 . 3 1 1 A 56 56 GLU CB C 56 30.230 33.332 -3.102 1
1 582 . 3 1 1 A 56 56 GLU C C 56 175.556 174.903 0.653 1
1 585 . 3 1 1 A 57 57 ALA N N 57 128.204 127.888 0.316 1
1 586 . 3 1 1 A 57 57 ALA H H 57 8.201 8.788 -0.587 1
1 587 . 3 1 1 A 57 57 ALA CA C 57 50.068 50.032 0.036 1
1 588 . 3 1 1 A 57 57 ALA HA H 57 4.827 5.277 -0.450 1
1 589 . 3 1 1 A 57 57 ALA CB C 57 21.531 22.833 -1.302 1
1 593 . 3 1 1 A 57 57 ALA C C 57 175.178 174.923 0.255 1
1 594 . 3 1 1 A 58 58 GLU N N 58 120.950 120.390 0.560 1
1 595 . 3 1 1 A 58 58 GLU H H 58 8.202 8.982 -0.780 1
1 596 . 3 1 1 A 58 58 GLU CA C 58 55.505 55.056 0.449 1
1 597 . 3 1 1 A 58 58 GLU HA H 58 4.509 5.128 -0.619 1
1 598 . 3 1 1 A 58 58 GLU CB C 58 32.301 33.314 -1.013 1
1 602 . 3 1 1 A 58 58 GLU C C 58 175.025 174.998 0.027 1
1 605 . 3 1 1 A 59 59 ILE N N 59 122.574 125.788 -3.214 1
1 606 . 3 1 1 A 59 59 ILE H H 59 8.578 8.881 -0.303 1
1 607 . 3 1 1 A 59 59 ILE CA C 59 60.355 59.861 0.494 1
1 608 . 3 1 1 A 59 59 ILE HA H 59 4.954 4.790 0.164 1
1 609 . 3 1 1 A 59 59 ILE CB C 59 38.374 39.829 -1.455 1
1 621 . 3 1 1 A 59 59 ILE C C 59 175.709 174.981 0.728 1
1 623 . 3 1 1 A 60 60 VAL N N 60 129.074 128.100 0.974 1
1 624 . 3 1 1 A 60 60 VAL H H 60 9.543 9.322 0.221 1
1 625 . 3 1 1 A 60 60 VAL CA C 60 58.472 59.020 -0.548 1
1 626 . 3 1 1 A 60 60 VAL HA H 60 4.737 4.570 0.167 1
1 627 . 3 1 1 A 60 60 VAL CB C 60 34.522 32.237 2.285 1
1 637 . 3 1 1 A 60 60 VAL C C 60 174.024 174.557 -0.533 1
1 638 . 3 1 1 A 61 61 PRO CA C 61 63.313 62.629 0.684 1
1 639 . 3 1 1 A 61 61 PRO HA H 61 4.611 4.678 -0.067 1
1 640 . 3 1 1 A 61 61 PRO CB C 61 32.270 31.992 0.278 1
1 646 . 3 1 1 A 61 61 PRO C C 61 177.388 175.988 1.400 1
1 650 . 3 1 1 A 62 62 MET N N 62 122.153 118.925 3.228 1
1 651 . 3 1 1 A 62 62 MET H H 62 7.843 8.804 -0.961 1
1 652 . 3 1 1 A 62 62 MET CA C 62 53.470 56.236 -2.766 1
1 653 . 3 1 1 A 62 62 MET HA H 62 4.765 4.595 0.170 1
1 654 . 3 1 1 A 62 62 MET CB C 62 33.144 34.124 -0.980 1
1 662 . 3 1 1 A 62 62 MET C C 62 175.742 176.402 -0.660 1
1 665 . 3 1 1 A 63 63 GLY N N 63 109.196 103.748 5.448 1
1 666 . 3 1 1 A 63 63 GLY H H 63 7.757 7.784 -0.027 1
1 667 . 3 1 1 A 63 63 GLY CA C 63 44.092 44.289 -0.197 1
1 668 . 3 1 1 A 63 63 GLY HA3 H 63 4.193 4.152 0.041 1
1 669 . 3 1 1 A 63 63 GLY C C 63 173.451 174.775 -1.324 1
1 670 . 3 1 1 A 63 63 GLY HA2 H 63 3.757 4.152 -0.395 1
1 671 . 3 1 1 A 64 64 LYS CA C 64 58.104 58.945 -0.841 1
1 672 . 3 1 1 A 64 64 LYS HA H 64 3.994 4.077 -0.083 1
1 673 . 3 1 1 A 64 64 LYS CB C 64 31.766 31.948 -0.182 1
1 681 . 3 1 1 A 64 64 LYS C C 64 177.657 176.753 0.904 1
1 686 . 3 1 1 A 65 65 ASN N N 65 117.648 114.563 3.085 1
1 687 . 3 1 1 A 65 65 ASN H H 65 8.860 8.153 0.707 1
1 688 . 3 1 1 A 65 65 ASN CA C 65 54.222 52.258 1.964 1
1 689 . 3 1 1 A 65 65 ASN HA H 65 4.587 4.962 -0.375 1
1 690 . 3 1 1 A 65 65 ASN CB C 65 38.313 39.025 -0.712 1
1 695 . 3 1 1 A 65 65 ASN C C 65 173.302 174.775 -1.473 1
1 697 . 3 1 1 A 66 66 SER N N 66 112.701 115.338 -2.637 1
1 698 . 3 1 1 A 66 66 SER H H 66 7.367 7.243 0.124 1
1 699 . 3 1 1 A 66 66 SER CA C 66 57.766 57.047 0.719 1
1 700 . 3 1 1 A 66 66 SER HA H 66 5.112 5.310 -0.198 1
1 701 . 3 1 1 A 66 66 SER CB C 66 65.000 66.233 -1.233 1
1 703 . 3 1 1 A 66 66 SER C C 66 172.793 172.661 0.132 1
1 705 . 3 1 1 A 67 67 HIS N N 67 124.096 119.782 4.314 1
1 706 . 3 1 1 A 67 67 HIS H H 67 8.735 8.980 -0.245 1
1 707 . 3 1 1 A 67 67 HIS CA C 67 55.123 54.678 0.445 1
1 708 . 3 1 1 A 67 67 HIS HA H 67 4.975 4.959 0.016 1
1 709 . 3 1 1 A 67 67 HIS CB C 67 34.914 33.953 0.961 1
1 715 . 3 1 1 A 67 67 HIS C C 67 173.884 173.408 0.476 1
1 717 . 3 1 1 A 68 68 CYS N N 68 122.598 122.167 0.431 1
1 718 . 3 1 1 A 68 68 CYS H H 68 9.333 8.660 0.673 1
1 719 . 3 1 1 A 68 68 CYS CA C 68 56.907 57.023 -0.116 1
1 720 . 3 1 1 A 68 68 CYS HA H 68 5.311 4.947 0.364 1
1 721 . 3 1 1 A 68 68 CYS CB C 68 29.314 29.930 -0.616 1
1 723 . 3 1 1 A 68 68 CYS C C 68 173.554 173.174 0.380 1
1 725 . 3 1 1 A 69 69 VAL N N 69 128.613 127.262 1.351 1
1 726 . 3 1 1 A 69 69 VAL H H 69 9.074 9.147 -0.073 1
1 727 . 3 1 1 A 69 69 VAL CA C 69 61.632 61.860 -0.228 1
1 728 . 3 1 1 A 69 69 VAL HA H 69 4.725 5.025 -0.300 1
1 729 . 3 1 1 A 69 69 VAL CB C 69 32.387 32.852 -0.465 1
1 739 . 3 1 1 A 69 69 VAL C C 69 174.230 175.149 -0.919 1
1 740 . 3 1 1 A 70 70 ARG N N 70 128.053 127.395 0.658 1
1 741 . 3 1 1 A 70 70 ARG H H 70 9.052 8.518 0.534 1
1 742 . 3 1 1 A 70 70 ARG CA C 70 54.797 54.895 -0.098 1
1 743 . 3 1 1 A 70 70 ARG HA H 70 5.761 4.724 1.037 1
1 744 . 3 1 1 A 70 70 ARG CB C 70 34.395 31.521 2.874 1
1 751 . 3 1 1 A 70 70 ARG C C 70 175.918 175.628 0.290 1
1 755 . 3 1 1 A 71 71 PHE N N 71 122.942 119.632 3.310 1
1 756 . 3 1 1 A 71 71 PHE H H 71 8.702 8.179 0.523 1
1 757 . 3 1 1 A 71 71 PHE CA C 71 55.748 56.112 -0.364 1
1 758 . 3 1 1 A 71 71 PHE HA H 71 4.936 5.109 -0.173 1
1 759 . 3 1 1 A 71 71 PHE CB C 71 41.245 40.953 0.292 1
1 771 . 3 1 1 A 71 71 PHE C C 71 171.709 172.186 -0.477 1
1 773 . 3 1 1 A 72 72 VAL N N 72 122.214 120.618 1.596 1
1 774 . 3 1 1 A 72 72 VAL H H 72 8.512 8.916 -0.404 1
1 775 . 3 1 1 A 72 72 VAL CA C 72 58.398 59.388 -0.990 1
1 776 . 3 1 1 A 72 72 VAL HA H 72 4.752 4.700 0.052 1
1 777 . 3 1 1 A 72 72 VAL CB C 72 32.747 32.136 0.611 1
1 787 . 3 1 1 A 72 72 VAL C C 72 174.416 175.083 -0.667 1
1 788 . 3 1 1 A 73 73 PRO CA C 73 62.606 62.709 -0.103 1
1 789 . 3 1 1 A 73 73 PRO HA H 73 4.646 5.096 -0.450 1
1 790 . 3 1 1 A 73 73 PRO CB C 73 33.679 29.770 3.909 1
1 796 . 3 1 1 A 73 73 PRO C C 73 176.757 175.264 1.493 1
1 800 . 3 1 1 A 74 74 GLN N N 74 119.992 123.431 -3.439 1
1 801 . 3 1 1 A 74 74 GLN H H 74 9.869 8.613 1.256 1
1 802 . 3 1 1 A 74 74 GLN CA C 74 55.156 54.993 0.163 1
1 803 . 3 1 1 A 74 74 GLN HA H 74 4.602 5.136 -0.534 1
1 804 . 3 1 1 A 74 74 GLN CB C 74 31.405 31.481 -0.076 1
1 811 . 3 1 1 A 74 74 GLN C C 74 174.987 174.661 0.326 1
1 814 . 3 1 1 A 75 75 GLU N N 75 119.264 125.204 -5.940 1
1 815 . 3 1 1 A 75 75 GLU H H 75 8.009 8.701 -0.692 1
1 816 . 3 1 1 A 75 75 GLU CA C 75 54.138 54.161 -0.023 1
1 817 . 3 1 1 A 75 75 GLU HA H 75 4.657 4.749 -0.092 1
1 818 . 3 1 1 A 75 75 GLU CB C 75 34.046 33.201 0.845 1
1 822 . 3 1 1 A 75 75 GLU C C 75 173.922 176.070 -2.148 1
1 825 . 3 1 1 A 76 76 MET N N 76 117.176 119.474 -2.298 1
1 826 . 3 1 1 A 76 76 MET H H 76 8.450 8.611 -0.161 1
1 827 . 3 1 1 A 76 76 MET CA C 76 55.468 55.697 -0.229 1
1 828 . 3 1 1 A 76 76 MET HA H 76 4.275 4.740 -0.465 1
1 829 . 3 1 1 A 76 76 MET CB C 76 34.487 33.337 1.150 1
1 837 . 3 1 1 A 76 76 MET C C 76 175.964 175.861 0.103 1
1 840 . 3 1 1 A 77 77 GLY N N 77 106.906 106.700 0.206 1
1 841 . 3 1 1 A 77 77 GLY H H 77 9.058 7.585 1.473 1
1 842 . 3 1 1 A 77 77 GLY CA C 77 43.832 46.038 -2.206 1
1 843 . 3 1 1 A 77 77 GLY HA3 H 77 3.944 4.094 -0.150 1
1 844 . 3 1 1 A 77 77 GLY C C 77 176.459 172.084 4.375 1
1 845 . 3 1 1 A 77 77 GLY HA2 H 77 4.787 4.059 0.728 1
1 846 . 3 1 1 A 78 78 VAL N N 78 125.184 121.898 3.286 1
1 847 . 3 1 1 A 78 78 VAL H H 78 9.293 8.241 1.052 1
1 848 . 3 1 1 A 78 78 VAL CA C 78 64.999 61.945 3.054 1
1 849 . 3 1 1 A 78 78 VAL HA H 78 4.178 4.360 -0.182 1
1 850 . 3 1 1 A 78 78 VAL CB C 78 31.558 32.747 -1.189 1
1 860 . 3 1 1 A 78 78 VAL C C 78 175.942 174.677 1.265 1
1 861 . 3 1 1 A 79 79 HIS N N 79 128.345 126.511 1.834 1
1 862 . 3 1 1 A 79 79 HIS H H 79 9.553 8.845 0.708 1
1 863 . 3 1 1 A 79 79 HIS CA C 79 55.063 54.455 0.608 1
1 864 . 3 1 1 A 79 79 HIS HA H 79 4.798 5.150 -0.352 1
1 865 . 3 1 1 A 79 79 HIS CB C 79 31.489 31.539 -0.050 1
1 871 . 3 1 1 A 79 79 HIS C C 79 174.069 174.179 -0.110 1
1 873 . 3 1 1 A 80 80 THR N N 80 114.672 115.977 -1.305 1
1 874 . 3 1 1 A 80 80 THR H H 80 8.452 8.233 0.219 1
1 875 . 3 1 1 A 80 80 THR CA C 80 61.075 61.716 -0.641 1
1 876 . 3 1 1 A 80 80 THR HA H 80 5.213 5.224 -0.011 1
1 877 . 3 1 1 A 80 80 THR CB C 80 70.795 71.822 -1.027 1
1 883 . 3 1 1 A 80 80 THR C C 80 173.863 173.216 0.647 1
1 884 . 3 1 1 A 81 81 VAL N N 81 127.546 128.989 -1.443 1
1 885 . 3 1 1 A 81 81 VAL H H 81 9.701 9.378 0.323 1
1 886 . 3 1 1 A 81 81 VAL CA C 81 60.799 61.618 -0.819 1
1 887 . 3 1 1 A 81 81 VAL HA H 81 4.782 4.651 0.131 1
1 888 . 3 1 1 A 81 81 VAL CB C 81 33.635 32.577 1.058 1
1 898 . 3 1 1 A 81 81 VAL C C 81 174.707 175.234 -0.527 1
1 899 . 3 1 1 A 82 82 SER N N 82 123.308 124.387 -1.079 1
1 900 . 3 1 1 A 82 82 SER H H 82 9.104 8.871 0.233 1
1 901 . 3 1 1 A 82 82 SER CA C 82 56.981 58.202 -1.221 1
1 902 . 3 1 1 A 82 82 SER HA H 82 5.108 4.938 0.170 1
1 903 . 3 1 1 A 82 82 SER CB C 82 64.728 63.664 1.064 1
1 905 . 3 1 1 A 82 82 SER C C 82 173.688 173.958 -0.270 1
1 907 . 3 1 1 A 83 83 VAL N N 83 129.049 127.547 1.502 1
1 908 . 3 1 1 A 83 83 VAL H H 83 9.925 8.914 1.011 1
1 909 . 3 1 1 A 83 83 VAL CA C 83 61.669 61.699 -0.030 1
1 910 . 3 1 1 A 83 83 VAL HA H 83 4.897 4.774 0.123 1
1 911 . 3 1 1 A 83 83 VAL CB C 83 33.590 32.737 0.853 1
1 921 . 3 1 1 A 83 83 VAL C C 83 174.094 175.676 -1.582 1
1 922 . 3 1 1 A 84 84 LYS N N 84 123.792 127.285 -3.493 1
1 923 . 3 1 1 A 84 84 LYS H H 84 8.768 8.593 0.175 1
1 924 . 3 1 1 A 84 84 LYS CA C 84 54.435 54.201 0.234 1
1 925 . 3 1 1 A 84 84 LYS HA H 84 5.153 5.191 -0.038 1
1 926 . 3 1 1 A 84 84 LYS CB C 84 37.608 36.046 1.562 1
1 934 . 3 1 1 A 84 84 LYS C C 84 174.908 174.779 0.129 1
1 939 . 3 1 1 A 85 85 TYR N N 85 120.439 122.725 -2.286 1
1 940 . 3 1 1 A 85 85 TYR H H 85 8.926 9.427 -0.501 1
1 941 . 3 1 1 A 85 85 TYR CA C 85 56.005 57.527 -1.522 1
1 942 . 3 1 1 A 85 85 TYR HA H 85 4.938 4.899 0.039 1
1 943 . 3 1 1 A 85 85 TYR CB C 85 41.386 41.181 0.205 1
1 953 . 3 1 1 A 85 85 TYR C C 85 175.255 174.931 0.324 1
1 955 . 3 1 1 A 86 86 ARG N N 86 127.150 128.401 -1.251 1
1 956 . 3 1 1 A 86 86 ARG H H 86 9.115 9.177 -0.062 1
1 957 . 3 1 1 A 86 86 ARG CA C 86 57.122 56.924 0.198 1
1 958 . 3 1 1 A 86 86 ARG HA H 86 3.659 3.828 -0.169 1
1 959 . 3 1 1 A 86 86 ARG CB C 86 27.563 27.436 0.127 1
1 965 . 3 1 1 A 86 86 ARG C C 86 176.482 176.313 0.169 1
1 969 . 3 1 1 A 87 87 GLY N N 87 102.394 104.490 -2.096 1
1 970 . 3 1 1 A 87 87 GLY H H 87 8.564 8.561 0.003 1
1 971 . 3 1 1 A 87 87 GLY CA C 87 45.388 46.277 -0.889 1
1 972 . 3 1 1 A 87 87 GLY HA3 H 87 4.099 3.830 0.269 1
1 973 . 3 1 1 A 87 87 GLY C C 87 173.631 173.388 0.243 1
1 974 . 3 1 1 A 87 87 GLY HA2 H 87 3.460 3.820 -0.360 1
1 975 . 3 1 1 A 88 88 GLN N N 88 119.060 114.513 4.547 1
1 976 . 3 1 1 A 88 88 GLN H H 88 7.665 7.433 0.232 1
1 977 . 3 1 1 A 88 88 GLN CA C 88 53.265 54.364 -1.099 1
1 978 . 3 1 1 A 88 88 GLN HA H 88 4.749 4.705 0.044 1
1 979 . 3 1 1 A 88 88 GLN CB C 88 31.383 31.773 -0.390 1
1 986 . 3 1 1 A 88 88 GLN C C 88 175.689 174.088 1.601 1
1 989 . 3 1 1 A 89 89 HIS N N 89 123.344 122.328 1.016 1
1 990 . 3 1 1 A 89 89 HIS H H 89 8.789 8.732 0.057 1
1 991 . 3 1 1 A 89 89 HIS CA C 89 59.011 57.255 1.756 1
1 992 . 3 1 1 A 89 89 HIS HA H 89 4.546 4.610 -0.064 1
1 993 . 3 1 1 A 89 89 HIS CB C 89 32.365 29.960 2.405 1
1 999 . 3 1 1 A 89 89 HIS C C 89 178.152 175.774 2.378 1
1 1001 . 3 1 1 A 90 90 VAL N N 90 117.749 121.208 -3.459 1
1 1002 . 3 1 1 A 90 90 VAL H H 90 8.436 8.336 0.100 1
1 1003 . 3 1 1 A 90 90 VAL CA C 90 60.473 61.746 -1.273 1
1 1004 . 3 1 1 A 90 90 VAL HA H 90 4.535 4.144 0.391 1
1 1005 . 3 1 1 A 90 90 VAL CB C 90 32.489 33.493 -1.004 1
1 1015 . 3 1 1 A 90 90 VAL C C 90 176.018 175.494 0.524 1
1 1016 . 3 1 1 A 91 91 THR N N 91 118.099 116.205 1.894 1
1 1017 . 3 1 1 A 91 91 THR H H 91 8.491 8.472 0.019 1
1 1018 . 3 1 1 A 91 91 THR CA C 91 65.519 65.101 0.418 1
1 1019 . 3 1 1 A 91 91 THR HA H 91 3.924 3.785 0.139 1
1 1020 . 3 1 1 A 91 91 THR CB C 91 68.972 68.456 0.516 1
1 1026 . 3 1 1 A 91 91 THR C C 91 174.771 175.952 -1.181 1
1 1027 . 3 1 1 A 92 92 GLY N N 92 116.032 114.958 1.074 1
1 1028 . 3 1 1 A 92 92 GLY H H 92 8.563 8.963 -0.400 1
1 1029 . 3 1 1 A 92 92 GLY CA C 92 44.842 46.716 -1.874 1
1 1030 . 3 1 1 A 92 92 GLY HA3 H 92 4.213 3.869 0.344 1
1 1031 . 3 1 1 A 92 92 GLY C C 92 172.199 173.286 -1.087 1
1 1032 . 3 1 1 A 92 92 GLY HA2 H 92 3.361 3.761 -0.400 1
1 1033 . 3 1 1 A 93 93 SER N N 93 113.106 114.756 -1.650 1
1 1034 . 3 1 1 A 93 93 SER H H 93 7.806 7.271 0.535 1
1 1035 . 3 1 1 A 93 93 SER CA C 93 54.600 54.308 0.292 1
1 1036 . 3 1 1 A 93 93 SER HA H 93 4.159 4.076 0.083 1
1 1037 . 3 1 1 A 93 93 SER CB C 93 62.787 65.696 -2.909 1
1 1039 . 3 1 1 A 93 93 SER C C 93 174.123 171.729 2.394 1
1 1041 . 3 1 1 A 94 94 PRO CA C 94 62.619 62.126 0.493 1
1 1042 . 3 1 1 A 94 94 PRO HA H 94 5.537 4.417 1.120 1
1 1043 . 3 1 1 A 94 94 PRO CB C 94 34.521 32.930 1.591 1
1 1049 . 3 1 1 A 94 94 PRO C C 94 176.046 174.852 1.194 1
1 1053 . 3 1 1 A 95 95 PHE N N 95 120.547 119.739 0.808 1
1 1054 . 3 1 1 A 95 95 PHE H H 95 9.127 8.552 0.575 1
1 1055 . 3 1 1 A 95 95 PHE CA C 95 56.700 56.667 0.033 1
1 1056 . 3 1 1 A 95 95 PHE HA H 95 4.844 5.052 -0.208 1
1 1057 . 3 1 1 A 95 95 PHE CB C 95 41.285 40.425 0.860 1
1 1069 . 3 1 1 A 95 95 PHE C C 95 175.219 174.922 0.297 1
1 1071 . 3 1 1 A 96 96 GLN N N 96 120.382 125.540 -5.158 1
1 1072 . 3 1 1 A 96 96 GLN H H 96 8.896 9.034 -0.138 1
1 1073 . 3 1 1 A 96 96 GLN CA C 96 55.028 55.661 -0.633 1
1 1074 . 3 1 1 A 96 96 GLN HA H 96 5.440 4.770 0.670 1
1 1075 . 3 1 1 A 96 96 GLN CB C 96 31.867 29.859 2.008 1
1 1082 . 3 1 1 A 96 96 GLN C C 96 175.480 175.308 0.172 1
1 1085 . 3 1 1 A 97 97 PHE N N 97 121.331 121.327 0.004 1
1 1086 . 3 1 1 A 97 97 PHE H H 97 8.822 8.982 -0.160 1
1 1087 . 3 1 1 A 97 97 PHE CA C 97 56.931 56.367 0.564 1
1 1088 . 3 1 1 A 97 97 PHE HA H 97 4.960 5.193 -0.233 1
1 1089 . 3 1 1 A 97 97 PHE CB C 97 42.133 41.846 0.287 1
1 1101 . 3 1 1 A 97 97 PHE C C 97 173.780 172.236 1.544 1
1 1103 . 3 1 1 A 98 98 THR N N 98 121.160 116.457 4.703 1
1 1104 . 3 1 1 A 98 98 THR H H 98 8.907 8.944 -0.037 1
1 1105 . 3 1 1 A 98 98 THR CA C 98 63.381 61.887 1.494 1
1 1106 . 3 1 1 A 98 98 THR HA H 98 4.487 4.801 -0.314 1
1 1107 . 3 1 1 A 98 98 THR CB C 98 69.599 70.726 -1.127 1
1 1113 . 3 1 1 A 98 98 THR C C 98 173.058 173.688 -0.630 1
1 1114 . 3 1 1 A 99 99 VAL N N 99 128.111 124.343 3.768 1
1 1115 . 3 1 1 A 99 99 VAL H H 99 8.240 8.659 -0.419 1
1 1116 . 3 1 1 A 99 99 VAL CA C 99 61.670 60.310 1.360 1
1 1117 . 3 1 1 A 99 99 VAL HA H 99 4.271 4.960 -0.689 1
1 1118 . 3 1 1 A 99 99 VAL CB C 99 32.962 35.014 -2.052 1
1 1128 . 3 1 1 A 99 99 VAL C C 99 176.689 175.471 1.218 1
1 1129 . 3 1 1 A 100 100 GLY N N 100 118.412 111.721 6.691 1
1 1130 . 3 1 1 A 100 100 GLY H H 100 8.946 8.019 0.927 1
1 1131 . 3 1 1 A 100 100 GLY CA C 100 44.504 45.258 -0.754 1
1 1132 . 3 1 1 A 100 100 GLY HA3 H 100 4.506 4.291 0.215 1
1 1133 . 3 1 1 A 100 100 GLY C C 100 170.474 171.152 -0.678 1
1 1134 . 3 1 1 A 100 100 GLY HA2 H 100 4.136 4.289 -0.153 1
1 1135 . 3 1 1 A 101 101 PRO CA C 101 62.588 62.792 -0.204 1
1 1136 . 3 1 1 A 101 101 PRO HA H 101 4.525 4.558 -0.033 1
1 1137 . 3 1 1 A 101 101 PRO CB C 101 32.641 31.993 0.648 1
1 1143 . 3 1 1 A 101 101 PRO C C 101 176.696 176.814 -0.118 1
1 1147 . 3 1 1 A 102 102 LEU N N 102 121.326 120.247 1.079 1
1 1148 . 3 1 1 A 102 102 LEU H H 102 8.374 8.435 -0.061 1
1 1149 . 3 1 1 A 102 102 LEU CA C 102 55.855 54.327 1.528 1
1 1150 . 3 1 1 A 102 102 LEU HA H 102 4.221 4.307 -0.086 1
1 1151 . 3 1 1 A 102 102 LEU CB C 102 42.652 43.172 -0.520 1
1 1163 . 3 1 1 A 102 102 LEU C C 102 178.005 176.752 1.253 1
1 1165 . 3 1 1 A 103 103 GLY N N 103 110.870 106.797 4.073 1
1 1166 . 3 1 1 A 103 103 GLY H H 103 8.481 8.587 -0.106 1
1 1167 . 3 1 1 A 103 103 GLY CA C 103 45.208 45.629 -0.421 1
1 1168 . 3 1 1 A 103 103 GLY HA3 H 103 3.927 3.988 -0.061 1
1 1169 . 3 1 1 A 103 103 GLY C C 103 174.126 174.314 -0.188 1
1 1170 . 3 1 1 A 103 103 GLY HA2 H 103 3.991 3.987 0.004 1
1 1171 . 3 1 1 A 104 104 GLU N N 104 120.771 123.195 -2.424 1
1 1172 . 3 1 1 A 104 104 GLU H H 104 8.308 7.856 0.452 1
1 1173 . 3 1 1 A 104 104 GLU CA C 104 56.713 56.622 0.091 1
1 1174 . 3 1 1 A 104 104 GLU HA H 104 4.318 4.311 0.007 1
1 1175 . 3 1 1 A 104 104 GLU CB C 104 30.470 30.588 -0.118 1
1 1179 . 3 1 1 A 104 104 GLU C C 104 177.052 175.821 1.231 1
1 1182 . 3 1 1 A 105 105 GLY N N 105 110.589 112.770 -2.181 1
1 1183 . 3 1 1 A 105 105 GLY H H 105 8.546 8.420 0.126 1
1 1184 . 3 1 1 A 105 105 GLY CA C 105 45.256 45.833 -0.577 1
1 1185 . 3 1 1 A 105 105 GLY HA3 H 105 3.925 4.272 -0.347 1
1 1186 . 3 1 1 A 105 105 GLY C C 105 173.795 172.380 1.415 1
1 1187 . 3 1 1 A 105 105 GLY HA2 H 105 3.992 4.272 -0.280 1
1 1 . 4 1 1 A 7 7 GLY CA C 7 45.415 46.383 -0.968 1
1 2 . 4 1 1 A 7 7 GLY HA3 H 7 3.972 3.913 0.059 1
1 3 . 4 1 1 A 7 7 GLY C C 7 174.102 174.818 -0.716 1
1 4 . 4 1 1 A 7 7 GLY HA2 H 7 3.972 3.900 0.072 1
1 5 . 4 1 1 A 8 8 ARG N N 8 120.724 125.393 -4.669 1
1 6 . 4 1 1 A 8 8 ARG H H 8 8.124 8.747 -0.623 1
1 7 . 4 1 1 A 8 8 ARG CA C 8 56.123 57.078 -0.955 1
1 8 . 4 1 1 A 8 8 ARG HA H 8 4.363 3.933 0.430 1
1 9 . 4 1 1 A 8 8 ARG CB C 8 30.881 28.956 1.925 1
1 15 . 4 1 1 A 8 8 ARG C C 8 176.487 175.340 1.147 1
1 19 . 4 1 1 A 9 9 VAL N N 9 121.839 118.679 3.160 1
1 20 . 4 1 1 A 9 9 VAL H H 9 8.204 7.806 0.398 1
1 21 . 4 1 1 A 9 9 VAL CA C 9 62.438 59.698 2.740 1
1 22 . 4 1 1 A 9 9 VAL HA H 9 4.081 4.570 -0.489 1
1 23 . 4 1 1 A 9 9 VAL CB C 9 32.773 35.546 -2.773 1
1 33 . 4 1 1 A 9 9 VAL C C 9 176.204 173.450 2.754 1
1 34 . 4 1 1 A 10 10 LYS N N 10 125.552 128.497 -2.945 1
1 35 . 4 1 1 A 10 10 LYS H H 10 8.437 8.676 -0.239 1
1 36 . 4 1 1 A 10 10 LYS CA C 10 56.575 54.423 2.152 1
1 37 . 4 1 1 A 10 10 LYS HA H 10 4.280 5.078 -0.798 1
1 38 . 4 1 1 A 10 10 LYS CB C 10 33.046 35.881 -2.835 1
1 46 . 4 1 1 A 10 10 LYS C C 10 176.486 175.184 1.302 1
1 51 . 4 1 1 A 11 11 GLU N N 11 122.741 123.655 -0.914 1
1 52 . 4 1 1 A 11 11 GLU H H 11 8.490 8.660 -0.170 1
1 53 . 4 1 1 A 11 11 GLU CA C 11 56.717 58.302 -1.585 1
1 54 . 4 1 1 A 11 11 GLU HA H 11 4.303 4.420 -0.117 1
1 55 . 4 1 1 A 11 11 GLU CB C 11 30.422 30.271 0.151 1
1 59 . 4 1 1 A 11 11 GLU C C 11 176.428 176.556 -0.128 1
1 62 . 4 1 1 A 12 12 SER N N 12 117.227 112.368 4.859 1
1 63 . 4 1 1 A 12 12 SER H H 12 8.434 7.583 0.851 1
1 64 . 4 1 1 A 12 12 SER CA C 12 58.340 58.695 -0.355 1
1 65 . 4 1 1 A 12 12 SER HA H 12 4.477 4.392 0.085 1
1 66 . 4 1 1 A 12 12 SER CB C 12 63.670 63.616 0.054 1
1 68 . 4 1 1 A 12 12 SER C C 12 174.574 174.431 0.143 1
1 70 . 4 1 1 A 13 13 ILE N N 13 122.704 123.300 -0.596 1
1 71 . 4 1 1 A 13 13 ILE H H 13 8.189 8.632 -0.443 1
1 72 . 4 1 1 A 13 13 ILE CA C 13 61.364 60.142 1.222 1
1 73 . 4 1 1 A 13 13 ILE HA H 13 4.270 4.486 -0.216 1
1 74 . 4 1 1 A 13 13 ILE CB C 13 38.870 40.468 -1.598 1
1 86 . 4 1 1 A 13 13 ILE C C 13 176.445 176.231 0.214 1
1 88 . 4 1 1 A 14 14 THR N N 14 118.671 121.200 -2.529 1
1 89 . 4 1 1 A 14 14 THR H H 14 8.265 8.780 -0.515 1
1 90 . 4 1 1 A 14 14 THR CA C 14 62.080 63.117 -1.037 1
1 91 . 4 1 1 A 14 14 THR HA H 14 4.338 4.001 0.337 1
1 92 . 4 1 1 A 14 14 THR CB C 14 69.779 66.703 3.076 1
1 98 . 4 1 1 A 14 14 THR C C 14 174.465 173.444 1.021 1
1 99 . 4 1 1 A 15 15 ARG N N 15 124.132 121.335 2.797 1
1 100 . 4 1 1 A 15 15 ARG H H 15 8.428 7.688 0.740 1
1 101 . 4 1 1 A 15 15 ARG CA C 15 56.221 54.789 1.432 1
1 102 . 4 1 1 A 15 15 ARG HA H 15 4.447 4.597 -0.150 1
1 103 . 4 1 1 A 15 15 ARG CB C 15 30.949 30.445 0.504 1
1 109 . 4 1 1 A 15 15 ARG C C 15 176.374 175.094 1.280 1
1 113 . 4 1 1 A 16 16 THR N N 16 115.339 114.670 0.669 1
1 114 . 4 1 1 A 16 16 THR H H 16 8.232 8.564 -0.332 1
1 115 . 4 1 1 A 16 16 THR CA C 16 61.828 59.930 1.898 1
1 116 . 4 1 1 A 16 16 THR HA H 16 4.389 5.273 -0.884 1
1 117 . 4 1 1 A 16 16 THR CB C 16 69.896 71.460 -1.564 1
1 123 . 4 1 1 A 16 16 THR C C 16 174.518 173.715 0.803 1
1 124 . 4 1 1 A 17 17 SER N N 17 118.278 117.984 0.294 1
1 125 . 4 1 1 A 17 17 SER H H 17 8.331 8.994 -0.663 1
1 126 . 4 1 1 A 17 17 SER CA C 17 58.326 57.097 1.229 1
1 127 . 4 1 1 A 17 17 SER HA H 17 4.500 5.085 -0.585 1
1 128 . 4 1 1 A 17 17 SER CB C 17 63.918 66.325 -2.407 1
1 130 . 4 1 1 A 17 17 SER C C 17 174.172 172.905 1.267 1
1 132 . 4 1 1 A 18 18 ARG N N 18 122.935 120.364 2.571 1
1 133 . 4 1 1 A 18 18 ARG H H 18 8.376 8.591 -0.215 1
1 134 . 4 1 1 A 18 18 ARG CA C 18 55.772 55.320 0.452 1
1 135 . 4 1 1 A 18 18 ARG HA H 18 4.386 4.951 -0.565 1
1 136 . 4 1 1 A 18 18 ARG CB C 18 31.073 31.883 -0.810 1
1 142 . 4 1 1 A 18 18 ARG C C 18 175.493 175.374 0.119 1
1 146 . 4 1 1 A 19 19 ALA N N 19 126.804 120.104 6.700 1
1 147 . 4 1 1 A 19 19 ALA H H 19 8.357 8.730 -0.373 1
1 148 . 4 1 1 A 19 19 ALA CA C 19 50.553 50.627 -0.074 1
1 149 . 4 1 1 A 19 19 ALA HA H 19 4.585 4.733 -0.148 1
1 150 . 4 1 1 A 19 19 ALA CB C 19 18.208 22.058 -3.850 1
1 154 . 4 1 1 A 19 19 ALA C C 19 175.408 176.720 -1.312 1
1 155 . 4 1 1 A 20 20 PRO CA C 20 63.352 63.619 -0.267 1
1 156 . 4 1 1 A 20 20 PRO HA H 20 4.455 4.556 -0.101 1
1 157 . 4 1 1 A 20 20 PRO CB C 20 32.196 31.739 0.457 1
1 163 . 4 1 1 A 20 20 PRO C C 20 176.846 176.366 0.480 1
1 167 . 4 1 1 A 21 21 SER N N 21 116.414 115.603 0.811 1
1 168 . 4 1 1 A 21 21 SER H H 21 8.449 7.857 0.592 1
1 169 . 4 1 1 A 21 21 SER CA C 21 58.507 60.414 -1.907 1
1 170 . 4 1 1 A 21 21 SER HA H 21 4.475 4.351 0.124 1
1 171 . 4 1 1 A 21 21 SER CB C 21 63.851 63.362 0.489 1
1 173 . 4 1 1 A 21 21 SER C C 21 174.344 174.087 0.257 1
1 175 . 4 1 1 A 22 22 VAL N N 22 120.580 120.254 0.326 1
1 176 . 4 1 1 A 22 22 VAL H H 22 8.110 8.894 -0.784 1
1 177 . 4 1 1 A 22 22 VAL CA C 22 61.788 59.669 2.119 1
1 178 . 4 1 1 A 22 22 VAL HA H 22 4.293 5.044 -0.751 1
1 179 . 4 1 1 A 22 22 VAL CB C 22 33.445 34.486 -1.041 1
1 189 . 4 1 1 A 22 22 VAL C C 22 175.160 174.524 0.636 1
1 190 . 4 1 1 A 23 23 ALA N N 23 127.788 123.355 4.433 1
1 191 . 4 1 1 A 23 23 ALA H H 23 8.428 8.614 -0.186 1
1 192 . 4 1 1 A 23 23 ALA CA C 23 51.790 51.343 0.447 1
1 193 . 4 1 1 A 23 23 ALA HA H 23 4.594 4.946 -0.352 1
1 194 . 4 1 1 A 23 23 ALA CB C 23 21.050 24.049 -2.999 1
1 198 . 4 1 1 A 23 23 ALA C C 23 176.198 175.349 0.849 1
1 199 . 4 1 1 A 24 24 THR N N 24 115.139 112.853 2.286 1
1 200 . 4 1 1 A 24 24 THR H H 24 8.338 8.676 -0.338 1
1 201 . 4 1 1 A 24 24 THR CA C 24 60.519 59.587 0.932 1
1 202 . 4 1 1 A 24 24 THR HA H 24 4.674 5.029 -0.355 1
1 203 . 4 1 1 A 24 24 THR CB C 24 72.048 71.208 0.840 1
1 209 . 4 1 1 A 24 24 THR C C 24 173.979 171.912 2.067 1
1 210 . 4 1 1 A 25 25 VAL N N 25 122.772 122.445 0.327 1
1 211 . 4 1 1 A 25 25 VAL H H 25 8.002 8.813 -0.811 1
1 212 . 4 1 1 A 25 25 VAL CA C 25 64.582 59.481 5.101 1
1 213 . 4 1 1 A 25 25 VAL HA H 25 3.280 4.711 -1.431 1
1 214 . 4 1 1 A 25 25 VAL CB C 25 32.102 34.501 -2.399 1
1 224 . 4 1 1 A 25 25 VAL C C 25 176.709 175.973 0.736 1
1 225 . 4 1 1 A 26 26 GLY N N 26 112.345 116.381 -4.036 1
1 226 . 4 1 1 A 26 26 GLY H H 26 8.344 8.715 -0.371 1
1 227 . 4 1 1 A 26 26 GLY CA C 26 45.534 46.152 -0.618 1
1 228 . 4 1 1 A 26 26 GLY HA3 H 26 4.166 3.991 0.175 1
1 229 . 4 1 1 A 26 26 GLY C C 26 173.701 173.544 0.157 1
1 230 . 4 1 1 A 26 26 GLY HA2 H 26 3.519 3.981 -0.462 1
1 231 . 4 1 1 A 27 27 SER N N 27 116.474 111.747 4.727 1
1 232 . 4 1 1 A 27 27 SER H H 27 7.738 7.683 0.055 1
1 233 . 4 1 1 A 27 27 SER CA C 27 57.264 56.321 0.943 1
1 234 . 4 1 1 A 27 27 SER HA H 27 4.692 5.042 -0.350 1
1 235 . 4 1 1 A 27 27 SER CB C 27 65.270 66.486 -1.216 1
1 237 . 4 1 1 A 27 27 SER C C 27 172.491 173.132 -0.641 1
1 239 . 4 1 1 A 28 28 ILE N N 28 122.052 123.066 -1.014 1
1 240 . 4 1 1 A 28 28 ILE H H 28 8.350 8.718 -0.368 1
1 241 . 4 1 1 A 28 28 ILE CA C 28 62.995 61.388 1.607 1
1 242 . 4 1 1 A 28 28 ILE HA H 28 3.693 4.370 -0.677 1
1 243 . 4 1 1 A 28 28 ILE CB C 28 38.221 37.171 1.050 1
1 255 . 4 1 1 A 28 28 ILE C C 28 175.624 175.064 0.560 1
1 257 . 4 1 1 A 29 29 CYS N N 29 129.493 128.057 1.436 1
1 258 . 4 1 1 A 29 29 CYS H H 29 8.730 8.775 -0.045 1
1 259 . 4 1 1 A 29 29 CYS CA C 29 58.201 57.856 0.345 1
1 260 . 4 1 1 A 29 29 CYS HA H 29 4.451 4.897 -0.446 1
1 261 . 4 1 1 A 29 29 CYS CB C 29 28.560 28.439 0.121 1
1 263 . 4 1 1 A 29 29 CYS C C 29 171.207 173.606 -2.399 1
1 265 . 4 1 1 A 30 30 ASP N N 30 123.789 123.823 -0.034 1
1 266 . 4 1 1 A 30 30 ASP H H 30 8.000 8.748 -0.748 1
1 267 . 4 1 1 A 30 30 ASP CA C 30 52.692 52.560 0.132 1
1 268 . 4 1 1 A 30 30 ASP HA H 30 5.315 5.291 0.024 1
1 269 . 4 1 1 A 30 30 ASP CB C 30 43.397 41.883 1.514 1
1 271 . 4 1 1 A 30 30 ASP C C 30 175.569 174.089 1.480 1
1 273 . 4 1 1 A 31 31 LEU N N 31 125.116 126.801 -1.685 1
1 274 . 4 1 1 A 31 31 LEU H H 31 9.147 9.106 0.041 1
1 275 . 4 1 1 A 31 31 LEU CA C 31 53.606 53.755 -0.149 1
1 276 . 4 1 1 A 31 31 LEU HA H 31 4.515 4.759 -0.244 1
1 277 . 4 1 1 A 31 31 LEU CB C 31 43.262 44.022 -0.760 1
1 289 . 4 1 1 A 31 31 LEU C C 31 174.935 175.444 -0.509 1
1 291 . 4 1 1 A 32 32 ASN N N 32 124.687 124.634 0.053 1
1 292 . 4 1 1 A 32 32 ASN H H 32 8.690 8.574 0.116 1
1 293 . 4 1 1 A 32 32 ASN CA C 32 53.696 52.170 1.526 1
1 294 . 4 1 1 A 32 32 ASN HA H 32 5.077 5.205 -0.128 1
1 295 . 4 1 1 A 32 32 ASN CB C 32 39.842 39.536 0.306 1
1 300 . 4 1 1 A 32 32 ASN C C 32 174.322 174.947 -0.625 1
1 302 . 4 1 1 A 33 33 LEU N N 33 123.838 124.326 -0.488 1
1 303 . 4 1 1 A 33 33 LEU H H 33 8.912 8.403 0.509 1
1 304 . 4 1 1 A 33 33 LEU CA C 33 53.820 53.848 -0.028 1
1 305 . 4 1 1 A 33 33 LEU HA H 33 4.638 4.909 -0.271 1
1 306 . 4 1 1 A 33 33 LEU CB C 33 45.587 45.157 0.430 1
1 318 . 4 1 1 A 33 33 LEU C C 33 175.719 175.814 -0.095 1
1 320 . 4 1 1 A 34 34 LYS N N 34 124.925 124.254 0.671 1
1 321 . 4 1 1 A 34 34 LYS H H 34 8.718 8.727 -0.009 1
1 322 . 4 1 1 A 34 34 LYS CA C 34 55.079 55.977 -0.898 1
1 323 . 4 1 1 A 34 34 LYS HA H 34 5.036 4.582 0.454 1
1 324 . 4 1 1 A 34 34 LYS CB C 34 32.121 31.492 0.629 1
1 332 . 4 1 1 A 34 34 LYS C C 34 176.081 175.055 1.026 1
1 337 . 4 1 1 A 35 35 ILE N N 35 123.769 126.381 -2.612 1
1 338 . 4 1 1 A 35 35 ILE H H 35 7.935 8.182 -0.247 1
1 339 . 4 1 1 A 35 35 ILE CA C 35 58.161 57.383 0.778 1
1 340 . 4 1 1 A 35 35 ILE HA H 35 4.612 4.596 0.016 1
1 341 . 4 1 1 A 35 35 ILE CB C 35 40.616 39.077 1.539 1
1 353 . 4 1 1 A 35 35 ILE C C 35 173.405 174.547 -1.142 1
1 355 . 4 1 1 A 36 36 PRO CA C 36 63.143 62.284 0.859 1
1 356 . 4 1 1 A 36 36 PRO HA H 36 4.435 4.610 -0.175 1
1 357 . 4 1 1 A 36 36 PRO CB C 36 32.806 33.298 -0.492 1
1 363 . 4 1 1 A 36 36 PRO C C 36 176.844 176.964 -0.120 1
1 367 . 4 1 1 A 37 37 GLU N N 37 114.188 119.739 -5.551 1
1 368 . 4 1 1 A 37 37 GLU H H 37 8.358 8.753 -0.395 1
1 369 . 4 1 1 A 37 37 GLU CA C 37 59.038 59.361 -0.323 1
1 370 . 4 1 1 A 37 37 GLU HA H 37 3.916 4.015 -0.099 1
1 371 . 4 1 1 A 37 37 GLU CB C 37 28.206 29.338 -1.132 1
1 375 . 4 1 1 A 37 37 GLU C C 37 175.996 177.542 -1.546 1
1 378 . 4 1 1 A 38 38 ILE N N 38 118.733 123.242 -4.509 1
1 379 . 4 1 1 A 38 38 ILE H H 38 7.679 7.374 0.305 1
1 380 . 4 1 1 A 38 38 ILE CA C 38 60.711 62.272 -1.561 1
1 381 . 4 1 1 A 38 38 ILE HA H 38 4.029 3.970 0.059 1
1 382 . 4 1 1 A 38 38 ILE CB C 38 40.278 37.921 2.357 1
1 394 . 4 1 1 A 38 38 ILE C C 38 175.255 176.511 -1.256 1
1 396 . 4 1 1 A 39 39 ASN H H 39 8.593 8.687 -0.094 1
1 397 . 4 1 1 A 39 39 ASN CA C 39 52.929 53.599 -0.670 1
1 398 . 4 1 1 A 39 39 ASN HA H 39 4.921 4.782 0.139 1
1 399 . 4 1 1 A 39 39 ASN CB C 39 39.419 40.503 -1.084 1
1 404 . 4 1 1 A 39 39 ASN C C 39 176.891 176.564 0.327 1
1 406 . 4 1 1 A 40 40 SER N N 40 120.676 121.287 -0.611 1
1 407 . 4 1 1 A 40 40 SER H H 40 8.995 9.105 -0.110 1
1 408 . 4 1 1 A 40 40 SER CA C 40 62.318 61.920 0.398 1
1 409 . 4 1 1 A 40 40 SER HA H 40 4.058 4.045 0.013 1
1 410 . 4 1 1 A 40 40 SER CB C 40 63.297 62.639 0.658 1
1 412 . 4 1 1 A 40 40 SER C C 40 176.866 176.801 0.065 1
1 414 . 4 1 1 A 41 41 SER N N 41 112.249 117.380 -5.131 1
1 415 . 4 1 1 A 41 41 SER H H 41 8.253 7.928 0.325 1
1 416 . 4 1 1 A 41 41 SER CA C 41 60.133 61.359 -1.226 1
1 417 . 4 1 1 A 41 41 SER HA H 41 4.348 4.160 0.188 1
1 418 . 4 1 1 A 41 41 SER CB C 41 62.986 63.209 -0.223 1
1 420 . 4 1 1 A 41 41 SER C C 41 174.885 176.778 -1.893 1
1 422 . 4 1 1 A 42 42 ASP N N 42 119.471 118.815 0.656 1
1 423 . 4 1 1 A 42 42 ASP H H 42 7.835 8.000 -0.165 1
1 424 . 4 1 1 A 42 42 ASP CA C 42 54.713 56.618 -1.905 1
1 425 . 4 1 1 A 42 42 ASP HA H 42 4.933 4.635 0.298 1
1 426 . 4 1 1 A 42 42 ASP CB C 42 42.479 41.385 1.094 1
1 428 . 4 1 1 A 42 42 ASP C C 42 175.586 176.648 -1.062 1
1 430 . 4 1 1 A 43 43 MET N N 43 119.155 118.234 0.921 1
1 431 . 4 1 1 A 43 43 MET H H 43 7.549 7.714 -0.165 1
1 432 . 4 1 1 A 43 43 MET CA C 43 54.927 54.333 0.594 1
1 433 . 4 1 1 A 43 43 MET HA H 43 5.359 5.015 0.344 1
1 434 . 4 1 1 A 43 43 MET CB C 43 37.158 35.394 1.764 1
1 442 . 4 1 1 A 43 43 MET C C 43 174.894 175.180 -0.286 1
1 445 . 4 1 1 A 44 44 SER N N 44 114.070 116.948 -2.878 1
1 446 . 4 1 1 A 44 44 SER H H 44 8.739 8.400 0.339 1
1 447 . 4 1 1 A 44 44 SER CA C 44 56.937 57.785 -0.848 1
1 448 . 4 1 1 A 44 44 SER HA H 44 4.700 5.170 -0.470 1
1 449 . 4 1 1 A 44 44 SER CB C 44 66.247 66.317 -0.070 1
1 451 . 4 1 1 A 44 44 SER C C 44 172.764 173.170 -0.406 1
1 453 . 4 1 1 A 45 45 ALA N N 45 126.192 127.736 -1.544 1
1 454 . 4 1 1 A 45 45 ALA H H 45 9.123 8.864 0.259 1
1 455 . 4 1 1 A 45 45 ALA CA C 45 50.378 50.438 -0.060 1
1 456 . 4 1 1 A 45 45 ALA HA H 45 5.741 5.417 0.324 1
1 457 . 4 1 1 A 45 45 ALA CB C 45 23.330 21.892 1.438 1
1 461 . 4 1 1 A 45 45 ALA C C 45 175.089 175.796 -0.707 1
1 462 . 4 1 1 A 46 46 HIS N N 46 119.075 118.614 0.461 1
1 463 . 4 1 1 A 46 46 HIS H H 46 8.701 9.036 -0.335 1
1 464 . 4 1 1 A 46 46 HIS CA C 46 55.999 54.735 1.264 1
1 465 . 4 1 1 A 46 46 HIS HA H 46 5.157 5.199 -0.042 1
1 466 . 4 1 1 A 46 46 HIS CB C 46 34.239 33.579 0.660 1
1 472 . 4 1 1 A 46 46 HIS C C 46 174.155 173.988 0.167 1
1 474 . 4 1 1 A 47 47 VAL N N 47 125.059 123.684 1.375 1
1 475 . 4 1 1 A 47 47 VAL H H 47 9.488 9.132 0.356 1
1 476 . 4 1 1 A 47 47 VAL CA C 47 60.604 62.049 -1.445 1
1 477 . 4 1 1 A 47 47 VAL HA H 47 4.730 4.651 0.079 1
1 478 . 4 1 1 A 47 47 VAL CB C 47 33.769 32.266 1.503 1
1 488 . 4 1 1 A 47 47 VAL C C 47 175.126 175.315 -0.189 1
1 489 . 4 1 1 A 48 48 THR N N 48 124.473 123.659 0.814 1
1 490 . 4 1 1 A 48 48 THR H H 48 9.432 9.297 0.135 1
1 491 . 4 1 1 A 48 48 THR CA C 48 61.766 62.002 -0.236 1
1 492 . 4 1 1 A 48 48 THR HA H 48 5.164 4.896 0.268 1
1 493 . 4 1 1 A 48 48 THR CB C 48 69.384 69.512 -0.128 1
1 499 . 4 1 1 A 48 48 THR C C 48 174.573 174.416 0.157 1
1 500 . 4 1 1 A 49 49 SER N N 49 125.657 121.987 3.670 1
1 501 . 4 1 1 A 49 49 SER H H 49 9.043 9.076 -0.033 1
1 502 . 4 1 1 A 49 49 SER CA C 49 56.638 57.056 -0.418 1
1 503 . 4 1 1 A 49 49 SER HA H 49 4.225 4.475 -0.250 1
1 504 . 4 1 1 A 49 49 SER CB C 49 62.948 62.644 0.304 1
1 506 . 4 1 1 A 49 49 SER C C 49 174.034 174.209 -0.175 1
1 508 . 4 1 1 A 50 50 PRO CA C 50 65.784 64.106 1.678 1
1 509 . 4 1 1 A 50 50 PRO HA H 50 4.260 4.498 -0.238 1
1 510 . 4 1 1 A 50 50 PRO CB C 50 31.493 31.566 -0.073 1
1 516 . 4 1 1 A 50 50 PRO C C 50 177.687 176.804 0.883 1
1 520 . 4 1 1 A 51 51 SER N N 51 110.322 110.786 -0.464 1
1 521 . 4 1 1 A 51 51 SER H H 51 8.349 7.703 0.646 1
1 522 . 4 1 1 A 51 51 SER CA C 51 59.076 58.405 0.671 1
1 523 . 4 1 1 A 51 51 SER HA H 51 4.332 4.449 -0.117 1
1 524 . 4 1 1 A 51 51 SER CB C 51 62.825 64.932 -2.107 1
1 526 . 4 1 1 A 51 51 SER C C 51 175.363 174.980 0.383 1
1 528 . 4 1 1 A 52 52 GLY N N 52 111.132 110.214 0.918 1
1 529 . 4 1 1 A 52 52 GLY H H 52 8.289 7.934 0.355 1
1 530 . 4 1 1 A 52 52 GLY CA C 52 44.831 45.288 -0.457 1
1 531 . 4 1 1 A 52 52 GLY HA3 H 52 4.302 4.012 0.290 1
1 532 . 4 1 1 A 52 52 GLY C C 52 174.002 173.921 0.081 1
1 533 . 4 1 1 A 52 52 GLY HA2 H 52 3.421 4.009 -0.588 1
1 534 . 4 1 1 A 53 53 ARG N N 53 121.515 119.542 1.973 1
1 535 . 4 1 1 A 53 53 ARG H H 53 7.322 7.734 -0.412 1
1 536 . 4 1 1 A 53 53 ARG CA C 53 56.749 54.094 2.655 1
1 537 . 4 1 1 A 53 53 ARG HA H 53 4.222 4.827 -0.605 1
1 538 . 4 1 1 A 53 53 ARG CB C 53 30.430 33.346 -2.916 1
1 544 . 4 1 1 A 53 53 ARG C C 53 176.023 175.026 0.997 1
1 548 . 4 1 1 A 54 54 VAL N N 54 128.383 121.581 6.802 1
1 549 . 4 1 1 A 54 54 VAL H H 54 8.780 8.686 0.094 1
1 550 . 4 1 1 A 54 54 VAL CA C 54 61.533 61.174 0.359 1
1 551 . 4 1 1 A 54 54 VAL HA H 54 5.243 4.896 0.347 1
1 552 . 4 1 1 A 54 54 VAL CB C 54 33.205 34.453 -1.248 1
1 562 . 4 1 1 A 54 54 VAL C C 54 176.783 175.432 1.351 1
1 563 . 4 1 1 A 55 55 THR N N 55 121.757 119.384 2.373 1
1 564 . 4 1 1 A 55 55 THR H H 55 9.188 8.982 0.206 1
1 565 . 4 1 1 A 55 55 THR CA C 55 60.216 59.730 0.486 1
1 566 . 4 1 1 A 55 55 THR HA H 55 4.751 5.308 -0.557 1
1 567 . 4 1 1 A 55 55 THR CB C 55 71.896 70.981 0.915 1
1 573 . 4 1 1 A 55 55 THR C C 55 173.454 173.136 0.318 1
1 574 . 4 1 1 A 56 56 GLU N N 56 125.373 123.737 1.636 1
1 575 . 4 1 1 A 56 56 GLU H H 56 8.927 8.759 0.168 1
1 576 . 4 1 1 A 56 56 GLU CA C 56 57.019 55.978 1.041 1
1 577 . 4 1 1 A 56 56 GLU HA H 56 4.365 4.045 0.320 1
1 578 . 4 1 1 A 56 56 GLU CB C 56 30.230 30.759 -0.529 1
1 582 . 4 1 1 A 56 56 GLU C C 56 175.556 175.989 -0.433 1
1 585 . 4 1 1 A 57 57 ALA N N 57 128.204 128.399 -0.195 1
1 586 . 4 1 1 A 57 57 ALA H H 57 8.201 8.764 -0.563 1
1 587 . 4 1 1 A 57 57 ALA CA C 57 50.068 50.050 0.018 1
1 588 . 4 1 1 A 57 57 ALA HA H 57 4.827 5.104 -0.277 1
1 589 . 4 1 1 A 57 57 ALA CB C 57 21.531 22.528 -0.997 1
1 593 . 4 1 1 A 57 57 ALA C C 57 175.178 175.303 -0.125 1
1 594 . 4 1 1 A 58 58 GLU N N 58 120.950 120.257 0.693 1
1 595 . 4 1 1 A 58 58 GLU H H 58 8.202 8.884 -0.682 1
1 596 . 4 1 1 A 58 58 GLU CA C 58 55.505 55.362 0.143 1
1 597 . 4 1 1 A 58 58 GLU HA H 58 4.509 5.040 -0.531 1
1 598 . 4 1 1 A 58 58 GLU CB C 58 32.301 32.547 -0.246 1
1 602 . 4 1 1 A 58 58 GLU C C 58 175.025 175.090 -0.065 1
1 605 . 4 1 1 A 59 59 ILE N N 59 122.574 125.994 -3.420 1
1 606 . 4 1 1 A 59 59 ILE H H 59 8.578 8.991 -0.413 1
1 607 . 4 1 1 A 59 59 ILE CA C 59 60.355 60.144 0.211 1
1 608 . 4 1 1 A 59 59 ILE HA H 59 4.954 4.668 0.286 1
1 609 . 4 1 1 A 59 59 ILE CB C 59 38.374 39.182 -0.808 1
1 621 . 4 1 1 A 59 59 ILE C C 59 175.709 175.512 0.197 1
1 623 . 4 1 1 A 60 60 VAL N N 60 129.074 128.643 0.431 1
1 624 . 4 1 1 A 60 60 VAL H H 60 9.543 8.903 0.640 1
1 625 . 4 1 1 A 60 60 VAL CA C 60 58.472 60.953 -2.481 1
1 626 . 4 1 1 A 60 60 VAL HA H 60 4.737 4.253 0.484 1
1 627 . 4 1 1 A 60 60 VAL CB C 60 34.522 32.381 2.141 1
1 637 . 4 1 1 A 60 60 VAL C C 60 174.024 174.568 -0.544 1
1 638 . 4 1 1 A 61 61 PRO CA C 61 63.313 62.612 0.701 1
1 639 . 4 1 1 A 61 61 PRO HA H 61 4.611 4.713 -0.102 1
1 640 . 4 1 1 A 61 61 PRO CB C 61 32.270 31.830 0.440 1
1 646 . 4 1 1 A 61 61 PRO C C 61 177.388 176.653 0.735 1
1 650 . 4 1 1 A 62 62 MET N N 62 122.153 120.348 1.805 1
1 651 . 4 1 1 A 62 62 MET H H 62 7.843 8.267 -0.424 1
1 652 . 4 1 1 A 62 62 MET CA C 62 53.470 57.742 -4.272 1
1 653 . 4 1 1 A 62 62 MET HA H 62 4.765 4.434 0.331 1
1 654 . 4 1 1 A 62 62 MET CB C 62 33.144 34.541 -1.397 1
1 662 . 4 1 1 A 62 62 MET C C 62 175.742 176.201 -0.459 1
1 665 . 4 1 1 A 63 63 GLY N N 63 109.196 103.816 5.380 1
1 666 . 4 1 1 A 63 63 GLY H H 63 7.757 6.821 0.936 1
1 667 . 4 1 1 A 63 63 GLY CA C 63 44.092 46.138 -2.046 1
1 668 . 4 1 1 A 63 63 GLY HA3 H 63 4.193 4.046 0.147 1
1 669 . 4 1 1 A 63 63 GLY C C 63 173.451 173.534 -0.083 1
1 670 . 4 1 1 A 63 63 GLY HA2 H 63 3.757 4.037 -0.280 1
1 671 . 4 1 1 A 64 64 LYS CA C 64 58.104 58.179 -0.075 1
1 672 . 4 1 1 A 64 64 LYS HA H 64 3.994 4.326 -0.332 1
1 673 . 4 1 1 A 64 64 LYS CB C 64 31.766 33.361 -1.595 1
1 681 . 4 1 1 A 64 64 LYS C C 64 177.657 177.060 0.597 1
1 686 . 4 1 1 A 65 65 ASN N N 65 117.648 114.314 3.334 1
1 687 . 4 1 1 A 65 65 ASN H H 65 8.860 8.000 0.860 1
1 688 . 4 1 1 A 65 65 ASN CA C 65 54.222 52.337 1.885 1
1 689 . 4 1 1 A 65 65 ASN HA H 65 4.587 4.907 -0.320 1
1 690 . 4 1 1 A 65 65 ASN CB C 65 38.313 38.847 -0.534 1
1 695 . 4 1 1 A 65 65 ASN C C 65 173.302 174.714 -1.412 1
1 697 . 4 1 1 A 66 66 SER N N 66 112.701 112.473 0.228 1
1 698 . 4 1 1 A 66 66 SER H H 66 7.367 7.639 -0.272 1
1 699 . 4 1 1 A 66 66 SER CA C 66 57.766 56.033 1.733 1
1 700 . 4 1 1 A 66 66 SER HA H 66 5.112 5.214 -0.102 1
1 701 . 4 1 1 A 66 66 SER CB C 66 65.000 66.200 -1.200 1
1 703 . 4 1 1 A 66 66 SER C C 66 172.793 173.210 -0.417 1
1 705 . 4 1 1 A 67 67 HIS N N 67 124.096 118.649 5.447 1
1 706 . 4 1 1 A 67 67 HIS H H 67 8.735 8.936 -0.201 1
1 707 . 4 1 1 A 67 67 HIS CA C 67 55.123 54.681 0.442 1
1 708 . 4 1 1 A 67 67 HIS HA H 67 4.975 4.948 0.027 1
1 709 . 4 1 1 A 67 67 HIS CB C 67 34.914 33.888 1.026 1
1 715 . 4 1 1 A 67 67 HIS C C 67 173.884 173.461 0.423 1
1 717 . 4 1 1 A 68 68 CYS N N 68 122.598 122.012 0.586 1
1 718 . 4 1 1 A 68 68 CYS H H 68 9.333 8.947 0.386 1
1 719 . 4 1 1 A 68 68 CYS CA C 68 56.907 57.203 -0.296 1
1 720 . 4 1 1 A 68 68 CYS HA H 68 5.311 5.068 0.243 1
1 721 . 4 1 1 A 68 68 CYS CB C 68 29.314 30.706 -1.392 1
1 723 . 4 1 1 A 68 68 CYS C C 68 173.554 172.979 0.575 1
1 725 . 4 1 1 A 69 69 VAL N N 69 128.613 127.257 1.356 1
1 726 . 4 1 1 A 69 69 VAL H H 69 9.074 8.466 0.608 1
1 727 . 4 1 1 A 69 69 VAL CA C 69 61.632 61.344 0.288 1
1 728 . 4 1 1 A 69 69 VAL HA H 69 4.725 5.031 -0.306 1
1 729 . 4 1 1 A 69 69 VAL CB C 69 32.387 34.040 -1.653 1
1 739 . 4 1 1 A 69 69 VAL C C 69 174.230 175.163 -0.933 1
1 740 . 4 1 1 A 70 70 ARG N N 70 128.053 124.703 3.350 1
1 741 . 4 1 1 A 70 70 ARG H H 70 9.052 8.507 0.545 1
1 742 . 4 1 1 A 70 70 ARG CA C 70 54.797 54.438 0.359 1
1 743 . 4 1 1 A 70 70 ARG HA H 70 5.761 5.357 0.404 1
1 744 . 4 1 1 A 70 70 ARG CB C 70 34.395 32.946 1.449 1
1 751 . 4 1 1 A 70 70 ARG C C 70 175.918 174.778 1.140 1
1 755 . 4 1 1 A 71 71 PHE N N 71 122.942 117.000 5.942 1
1 756 . 4 1 1 A 71 71 PHE H H 71 8.702 8.026 0.676 1
1 757 . 4 1 1 A 71 71 PHE CA C 71 55.748 56.254 -0.506 1
1 758 . 4 1 1 A 71 71 PHE HA H 71 4.936 5.092 -0.156 1
1 759 . 4 1 1 A 71 71 PHE CB C 71 41.245 40.879 0.366 1
1 771 . 4 1 1 A 71 71 PHE C C 71 171.709 172.064 -0.355 1
1 773 . 4 1 1 A 72 72 VAL N N 72 122.214 120.422 1.792 1
1 774 . 4 1 1 A 72 72 VAL H H 72 8.512 8.918 -0.406 1
1 775 . 4 1 1 A 72 72 VAL CA C 72 58.398 59.435 -1.037 1
1 776 . 4 1 1 A 72 72 VAL HA H 72 4.752 4.856 -0.104 1
1 777 . 4 1 1 A 72 72 VAL CB C 72 32.747 32.111 0.636 1
1 787 . 4 1 1 A 72 72 VAL C C 72 174.416 175.008 -0.592 1
1 788 . 4 1 1 A 73 73 PRO CA C 73 62.606 62.697 -0.091 1
1 789 . 4 1 1 A 73 73 PRO HA H 73 4.646 5.062 -0.416 1
1 790 . 4 1 1 A 73 73 PRO CB C 73 33.679 29.859 3.820 1
1 796 . 4 1 1 A 73 73 PRO C C 73 176.757 175.329 1.428 1
1 800 . 4 1 1 A 74 74 GLN N N 74 119.992 123.436 -3.444 1
1 801 . 4 1 1 A 74 74 GLN H H 74 9.869 8.533 1.336 1
1 802 . 4 1 1 A 74 74 GLN CA C 74 55.156 54.961 0.195 1
1 803 . 4 1 1 A 74 74 GLN HA H 74 4.602 5.106 -0.504 1
1 804 . 4 1 1 A 74 74 GLN CB C 74 31.405 31.467 -0.062 1
1 811 . 4 1 1 A 74 74 GLN C C 74 174.987 174.605 0.382 1
1 814 . 4 1 1 A 75 75 GLU N N 75 119.264 125.183 -5.919 1
1 815 . 4 1 1 A 75 75 GLU H H 75 8.009 8.901 -0.892 1
1 816 . 4 1 1 A 75 75 GLU CA C 75 54.138 54.222 -0.084 1
1 817 . 4 1 1 A 75 75 GLU HA H 75 4.657 4.745 -0.088 1
1 818 . 4 1 1 A 75 75 GLU CB C 75 34.046 33.269 0.777 1
1 822 . 4 1 1 A 75 75 GLU C C 75 173.922 175.983 -2.061 1
1 825 . 4 1 1 A 76 76 MET N N 76 117.176 119.215 -2.039 1
1 826 . 4 1 1 A 76 76 MET H H 76 8.450 8.622 -0.172 1
1 827 . 4 1 1 A 76 76 MET CA C 76 55.468 55.696 -0.228 1
1 828 . 4 1 1 A 76 76 MET HA H 76 4.275 4.829 -0.554 1
1 829 . 4 1 1 A 76 76 MET CB C 76 34.487 33.431 1.056 1
1 837 . 4 1 1 A 76 76 MET C C 76 175.964 175.969 -0.005 1
1 840 . 4 1 1 A 77 77 GLY N N 77 106.906 105.709 1.197 1
1 841 . 4 1 1 A 77 77 GLY H H 77 9.058 7.682 1.376 1
1 842 . 4 1 1 A 77 77 GLY CA C 77 43.832 45.940 -2.108 1
1 843 . 4 1 1 A 77 77 GLY HA3 H 77 3.944 4.160 -0.216 1
1 844 . 4 1 1 A 77 77 GLY C C 77 176.459 172.279 4.180 1
1 845 . 4 1 1 A 77 77 GLY HA2 H 77 4.787 4.128 0.659 1
1 846 . 4 1 1 A 78 78 VAL N N 78 125.184 122.468 2.716 1
1 847 . 4 1 1 A 78 78 VAL H H 78 9.293 8.242 1.051 1
1 848 . 4 1 1 A 78 78 VAL CA C 78 64.999 61.527 3.472 1
1 849 . 4 1 1 A 78 78 VAL HA H 78 4.178 4.516 -0.338 1
1 850 . 4 1 1 A 78 78 VAL CB C 78 31.558 33.282 -1.724 1
1 860 . 4 1 1 A 78 78 VAL C C 78 175.942 174.206 1.736 1
1 861 . 4 1 1 A 79 79 HIS N N 79 128.345 126.697 1.648 1
1 862 . 4 1 1 A 79 79 HIS H H 79 9.553 8.663 0.890 1
1 863 . 4 1 1 A 79 79 HIS CA C 79 55.063 54.495 0.568 1
1 864 . 4 1 1 A 79 79 HIS HA H 79 4.798 5.020 -0.222 1
1 865 . 4 1 1 A 79 79 HIS CB C 79 31.489 30.666 0.823 1
1 871 . 4 1 1 A 79 79 HIS C C 79 174.069 174.433 -0.364 1
1 873 . 4 1 1 A 80 80 THR N N 80 114.672 117.750 -3.078 1
1 874 . 4 1 1 A 80 80 THR H H 80 8.452 8.331 0.121 1
1 875 . 4 1 1 A 80 80 THR CA C 80 61.075 61.569 -0.494 1
1 876 . 4 1 1 A 80 80 THR HA H 80 5.213 5.297 -0.084 1
1 877 . 4 1 1 A 80 80 THR CB C 80 70.795 70.615 0.180 1
1 883 . 4 1 1 A 80 80 THR C C 80 173.863 173.481 0.382 1
1 884 . 4 1 1 A 81 81 VAL N N 81 127.546 128.637 -1.091 1
1 885 . 4 1 1 A 81 81 VAL H H 81 9.701 9.541 0.160 1
1 886 . 4 1 1 A 81 81 VAL CA C 81 60.799 60.694 0.105 1
1 887 . 4 1 1 A 81 81 VAL HA H 81 4.782 4.782 0.000 1
1 888 . 4 1 1 A 81 81 VAL CB C 81 33.635 33.110 0.525 1
1 898 . 4 1 1 A 81 81 VAL C C 81 174.707 174.454 0.253 1
1 899 . 4 1 1 A 82 82 SER N N 82 123.308 123.056 0.252 1
1 900 . 4 1 1 A 82 82 SER H H 82 9.104 9.205 -0.101 1
1 901 . 4 1 1 A 82 82 SER CA C 82 56.981 57.198 -0.217 1
1 902 . 4 1 1 A 82 82 SER HA H 82 5.108 4.840 0.268 1
1 903 . 4 1 1 A 82 82 SER CB C 82 64.728 63.511 1.217 1
1 905 . 4 1 1 A 82 82 SER C C 82 173.688 172.860 0.828 1
1 907 . 4 1 1 A 83 83 VAL N N 83 129.049 128.143 0.906 1
1 908 . 4 1 1 A 83 83 VAL H H 83 9.925 8.718 1.207 1
1 909 . 4 1 1 A 83 83 VAL CA C 83 61.669 61.941 -0.272 1
1 910 . 4 1 1 A 83 83 VAL HA H 83 4.897 4.769 0.128 1
1 911 . 4 1 1 A 83 83 VAL CB C 83 33.590 32.422 1.168 1
1 921 . 4 1 1 A 83 83 VAL C C 83 174.094 175.755 -1.661 1
1 922 . 4 1 1 A 84 84 LYS N N 84 123.792 127.357 -3.565 1
1 923 . 4 1 1 A 84 84 LYS H H 84 8.768 8.615 0.153 1
1 924 . 4 1 1 A 84 84 LYS CA C 84 54.435 54.275 0.160 1
1 925 . 4 1 1 A 84 84 LYS HA H 84 5.153 4.947 0.206 1
1 926 . 4 1 1 A 84 84 LYS CB C 84 37.608 35.915 1.693 1
1 934 . 4 1 1 A 84 84 LYS C C 84 174.908 174.742 0.166 1
1 939 . 4 1 1 A 85 85 TYR N N 85 120.439 122.469 -2.030 1
1 940 . 4 1 1 A 85 85 TYR H H 85 8.926 9.288 -0.362 1
1 941 . 4 1 1 A 85 85 TYR CA C 85 56.005 57.590 -1.585 1
1 942 . 4 1 1 A 85 85 TYR HA H 85 4.938 4.885 0.053 1
1 943 . 4 1 1 A 85 85 TYR CB C 85 41.386 41.025 0.361 1
1 953 . 4 1 1 A 85 85 TYR C C 85 175.255 174.897 0.358 1
1 955 . 4 1 1 A 86 86 ARG N N 86 127.150 128.462 -1.312 1
1 956 . 4 1 1 A 86 86 ARG H H 86 9.115 9.246 -0.131 1
1 957 . 4 1 1 A 86 86 ARG CA C 86 57.122 57.035 0.087 1
1 958 . 4 1 1 A 86 86 ARG HA H 86 3.659 3.796 -0.137 1
1 959 . 4 1 1 A 86 86 ARG CB C 86 27.563 27.397 0.166 1
1 965 . 4 1 1 A 86 86 ARG C C 86 176.482 176.250 0.232 1
1 969 . 4 1 1 A 87 87 GLY N N 87 102.394 104.808 -2.414 1
1 970 . 4 1 1 A 87 87 GLY H H 87 8.564 8.539 0.025 1
1 971 . 4 1 1 A 87 87 GLY CA C 87 45.388 46.017 -0.629 1
1 972 . 4 1 1 A 87 87 GLY HA3 H 87 4.099 3.839 0.260 1
1 973 . 4 1 1 A 87 87 GLY C C 87 173.631 173.470 0.161 1
1 974 . 4 1 1 A 87 87 GLY HA2 H 87 3.460 3.833 -0.373 1
1 975 . 4 1 1 A 88 88 GLN N N 88 119.060 115.114 3.946 1
1 976 . 4 1 1 A 88 88 GLN H H 88 7.665 7.501 0.164 1
1 977 . 4 1 1 A 88 88 GLN CA C 88 53.265 54.355 -1.090 1
1 978 . 4 1 1 A 88 88 GLN HA H 88 4.749 4.821 -0.072 1
1 979 . 4 1 1 A 88 88 GLN CB C 88 31.383 31.787 -0.404 1
1 986 . 4 1 1 A 88 88 GLN C C 88 175.689 174.422 1.267 1
1 989 . 4 1 1 A 89 89 HIS N N 89 123.344 122.970 0.374 1
1 990 . 4 1 1 A 89 89 HIS H H 89 8.789 8.741 0.048 1
1 991 . 4 1 1 A 89 89 HIS CA C 89 59.011 57.597 1.414 1
1 992 . 4 1 1 A 89 89 HIS HA H 89 4.546 4.529 0.017 1
1 993 . 4 1 1 A 89 89 HIS CB C 89 32.365 30.421 1.944 1
1 999 . 4 1 1 A 89 89 HIS C C 89 178.152 175.969 2.183 1
1 1001 . 4 1 1 A 90 90 VAL N N 90 117.749 120.838 -3.089 1
1 1002 . 4 1 1 A 90 90 VAL H H 90 8.436 8.498 -0.062 1
1 1003 . 4 1 1 A 90 90 VAL CA C 90 60.473 61.458 -0.985 1
1 1004 . 4 1 1 A 90 90 VAL HA H 90 4.535 4.216 0.319 1
1 1005 . 4 1 1 A 90 90 VAL CB C 90 32.489 33.828 -1.339 1
1 1015 . 4 1 1 A 90 90 VAL C C 90 176.018 175.782 0.236 1
1 1016 . 4 1 1 A 91 91 THR N N 91 118.099 115.914 2.185 1
1 1017 . 4 1 1 A 91 91 THR H H 91 8.491 8.456 0.035 1
1 1018 . 4 1 1 A 91 91 THR CA C 91 65.519 65.070 0.449 1
1 1019 . 4 1 1 A 91 91 THR HA H 91 3.924 3.757 0.167 1
1 1020 . 4 1 1 A 91 91 THR CB C 91 68.972 68.478 0.494 1
1 1026 . 4 1 1 A 91 91 THR C C 91 174.771 176.068 -1.297 1
1 1027 . 4 1 1 A 92 92 GLY N N 92 116.032 114.513 1.519 1
1 1028 . 4 1 1 A 92 92 GLY H H 92 8.563 8.807 -0.244 1
1 1029 . 4 1 1 A 92 92 GLY CA C 92 44.842 46.097 -1.255 1
1 1030 . 4 1 1 A 92 92 GLY HA3 H 92 4.213 3.827 0.386 1
1 1031 . 4 1 1 A 92 92 GLY C C 92 172.199 172.921 -0.722 1
1 1032 . 4 1 1 A 92 92 GLY HA2 H 92 3.361 3.777 -0.416 1
1 1033 . 4 1 1 A 93 93 SER N N 93 113.106 115.268 -2.162 1
1 1034 . 4 1 1 A 93 93 SER H H 93 7.806 7.389 0.417 1
1 1035 . 4 1 1 A 93 93 SER CA C 93 54.600 54.691 -0.091 1
1 1036 . 4 1 1 A 93 93 SER HA H 93 4.159 4.263 -0.104 1
1 1037 . 4 1 1 A 93 93 SER CB C 93 62.787 65.211 -2.424 1
1 1039 . 4 1 1 A 93 93 SER C C 93 174.123 172.279 1.844 1
1 1041 . 4 1 1 A 94 94 PRO CA C 94 62.619 62.398 0.221 1
1 1042 . 4 1 1 A 94 94 PRO HA H 94 5.537 4.634 0.903 1
1 1043 . 4 1 1 A 94 94 PRO CB C 94 34.521 32.441 2.080 1
1 1049 . 4 1 1 A 94 94 PRO C C 94 176.046 175.254 0.792 1
1 1053 . 4 1 1 A 95 95 PHE N N 95 120.547 119.469 1.078 1
1 1054 . 4 1 1 A 95 95 PHE H H 95 9.127 8.761 0.366 1
1 1055 . 4 1 1 A 95 95 PHE CA C 95 56.700 57.614 -0.914 1
1 1056 . 4 1 1 A 95 95 PHE HA H 95 4.844 5.156 -0.312 1
1 1057 . 4 1 1 A 95 95 PHE CB C 95 41.285 40.755 0.530 1
1 1069 . 4 1 1 A 95 95 PHE C C 95 175.219 175.306 -0.087 1
1 1071 . 4 1 1 A 96 96 GLN N N 96 120.382 121.120 -0.738 1
1 1072 . 4 1 1 A 96 96 GLN H H 96 8.896 8.759 0.137 1
1 1073 . 4 1 1 A 96 96 GLN CA C 96 55.028 54.635 0.393 1
1 1074 . 4 1 1 A 96 96 GLN HA H 96 5.440 5.305 0.135 1
1 1075 . 4 1 1 A 96 96 GLN CB C 96 31.867 32.012 -0.145 1
1 1082 . 4 1 1 A 96 96 GLN C C 96 175.480 174.864 0.616 1
1 1085 . 4 1 1 A 97 97 PHE N N 97 121.331 119.392 1.939 1
1 1086 . 4 1 1 A 97 97 PHE H H 97 8.822 8.464 0.358 1
1 1087 . 4 1 1 A 97 97 PHE CA C 97 56.931 55.954 0.977 1
1 1088 . 4 1 1 A 97 97 PHE HA H 97 4.960 5.365 -0.405 1
1 1089 . 4 1 1 A 97 97 PHE CB C 97 42.133 42.212 -0.079 1
1 1101 . 4 1 1 A 97 97 PHE C C 97 173.780 172.286 1.494 1
1 1103 . 4 1 1 A 98 98 THR N N 98 121.160 117.436 3.724 1
1 1104 . 4 1 1 A 98 98 THR H H 98 8.907 8.886 0.021 1
1 1105 . 4 1 1 A 98 98 THR CA C 98 63.381 61.268 2.113 1
1 1106 . 4 1 1 A 98 98 THR HA H 98 4.487 4.807 -0.320 1
1 1107 . 4 1 1 A 98 98 THR CB C 98 69.599 70.063 -0.464 1
1 1113 . 4 1 1 A 98 98 THR C C 98 173.058 173.571 -0.513 1
1 1114 . 4 1 1 A 99 99 VAL N N 99 128.111 127.664 0.447 1
1 1115 . 4 1 1 A 99 99 VAL H H 99 8.240 8.809 -0.569 1
1 1116 . 4 1 1 A 99 99 VAL CA C 99 61.670 60.273 1.397 1
1 1117 . 4 1 1 A 99 99 VAL HA H 99 4.271 4.961 -0.690 1
1 1118 . 4 1 1 A 99 99 VAL CB C 99 32.962 34.811 -1.849 1
1 1128 . 4 1 1 A 99 99 VAL C C 99 176.689 174.960 1.729 1
1 1129 . 4 1 1 A 100 100 GLY N N 100 118.412 113.291 5.121 1
1 1130 . 4 1 1 A 100 100 GLY H H 100 8.946 8.687 0.259 1
1 1131 . 4 1 1 A 100 100 GLY CA C 100 44.504 43.694 0.810 1
1 1132 . 4 1 1 A 100 100 GLY HA3 H 100 4.506 4.381 0.125 1
1 1133 . 4 1 1 A 100 100 GLY C C 100 170.474 172.834 -2.360 1
1 1134 . 4 1 1 A 100 100 GLY HA2 H 100 4.136 4.374 -0.238 1
1 1135 . 4 1 1 A 101 101 PRO CA C 101 62.588 62.378 0.210 1
1 1136 . 4 1 1 A 101 101 PRO HA H 101 4.525 4.628 -0.103 1
1 1137 . 4 1 1 A 101 101 PRO CB C 101 32.641 33.184 -0.543 1
1 1143 . 4 1 1 A 101 101 PRO C C 101 176.696 176.132 0.564 1
1 1147 . 4 1 1 A 102 102 LEU N N 102 121.326 117.747 3.579 1
1 1148 . 4 1 1 A 102 102 LEU H H 102 8.374 8.341 0.033 1
1 1149 . 4 1 1 A 102 102 LEU CA C 102 55.855 52.370 3.485 1
1 1150 . 4 1 1 A 102 102 LEU HA H 102 4.221 5.003 -0.782 1
1 1151 . 4 1 1 A 102 102 LEU CB C 102 42.652 44.691 -2.039 1
1 1163 . 4 1 1 A 102 102 LEU C C 102 178.005 175.463 2.542 1
1 1165 . 4 1 1 A 103 103 GLY N N 103 110.870 106.472 4.398 1
1 1166 . 4 1 1 A 103 103 GLY H H 103 8.481 8.322 0.159 1
1 1167 . 4 1 1 A 103 103 GLY CA C 103 45.208 45.087 0.121 1
1 1168 . 4 1 1 A 103 103 GLY HA3 H 103 3.927 4.238 -0.311 1
1 1169 . 4 1 1 A 103 103 GLY C C 103 174.126 171.406 2.720 1
1 1170 . 4 1 1 A 103 103 GLY HA2 H 103 3.991 4.238 -0.247 1
1 1171 . 4 1 1 A 104 104 GLU N N 104 120.771 122.184 -1.413 1
1 1172 . 4 1 1 A 104 104 GLU H H 104 8.308 8.627 -0.319 1
1 1173 . 4 1 1 A 104 104 GLU CA C 104 56.713 55.937 0.776 1
1 1174 . 4 1 1 A 104 104 GLU HA H 104 4.318 5.124 -0.806 1
1 1175 . 4 1 1 A 104 104 GLU CB C 104 30.470 33.029 -2.559 1
1 1179 . 4 1 1 A 104 104 GLU C C 104 177.052 174.673 2.379 1
1 1182 . 4 1 1 A 105 105 GLY N N 105 110.589 112.129 -1.540 1
1 1183 . 4 1 1 A 105 105 GLY H H 105 8.546 8.308 0.238 1
1 1184 . 4 1 1 A 105 105 GLY CA C 105 45.256 45.321 -0.065 1
1 1185 . 4 1 1 A 105 105 GLY HA3 H 105 3.925 4.040 -0.115 1
1 1186 . 4 1 1 A 105 105 GLY C C 105 173.795 175.117 -1.322 1
1 1187 . 4 1 1 A 105 105 GLY HA2 H 105 3.992 4.039 -0.047 1
1 1 . 5 1 1 A 7 7 GLY CA C 7 45.415 46.431 -1.016 1
1 2 . 5 1 1 A 7 7 GLY HA3 H 7 3.972 4.038 -0.066 1
1 3 . 5 1 1 A 7 7 GLY C C 7 174.102 172.724 1.378 1
1 4 . 5 1 1 A 7 7 GLY HA2 H 7 3.972 4.038 -0.066 1
1 5 . 5 1 1 A 8 8 ARG N N 8 120.724 125.925 -5.201 1
1 6 . 5 1 1 A 8 8 ARG H H 8 8.124 8.701 -0.577 1
1 7 . 5 1 1 A 8 8 ARG CA C 8 56.123 54.715 1.408 1
1 8 . 5 1 1 A 8 8 ARG HA H 8 4.363 4.712 -0.349 1
1 9 . 5 1 1 A 8 8 ARG CB C 8 30.881 30.853 0.028 1
1 15 . 5 1 1 A 8 8 ARG C C 8 176.487 174.922 1.565 1
1 19 . 5 1 1 A 9 9 VAL N N 9 121.839 125.786 -3.947 1
1 20 . 5 1 1 A 9 9 VAL H H 9 8.204 8.181 0.023 1
1 21 . 5 1 1 A 9 9 VAL CA C 9 62.438 62.938 -0.500 1
1 22 . 5 1 1 A 9 9 VAL HA H 9 4.081 3.927 0.154 1
1 23 . 5 1 1 A 9 9 VAL CB C 9 32.773 31.496 1.277 1
1 33 . 5 1 1 A 9 9 VAL C C 9 176.204 175.788 0.416 1
1 34 . 5 1 1 A 10 10 LYS N N 10 125.552 127.907 -2.355 1
1 35 . 5 1 1 A 10 10 LYS H H 10 8.437 8.727 -0.290 1
1 36 . 5 1 1 A 10 10 LYS CA C 10 56.575 54.886 1.689 1
1 37 . 5 1 1 A 10 10 LYS HA H 10 4.280 4.705 -0.425 1
1 38 . 5 1 1 A 10 10 LYS CB C 10 33.046 34.293 -1.247 1
1 46 . 5 1 1 A 10 10 LYS C C 10 176.486 175.698 0.788 1
1 51 . 5 1 1 A 11 11 GLU N N 11 122.741 121.883 0.858 1
1 52 . 5 1 1 A 11 11 GLU H H 11 8.490 8.814 -0.324 1
1 53 . 5 1 1 A 11 11 GLU CA C 11 56.717 55.324 1.393 1
1 54 . 5 1 1 A 11 11 GLU HA H 11 4.303 4.899 -0.596 1
1 55 . 5 1 1 A 11 11 GLU CB C 11 30.422 30.742 -0.320 1
1 59 . 5 1 1 A 11 11 GLU C C 11 176.428 175.537 0.891 1
1 62 . 5 1 1 A 12 12 SER N N 12 117.227 123.297 -6.070 1
1 63 . 5 1 1 A 12 12 SER H H 12 8.434 9.003 -0.569 1
1 64 . 5 1 1 A 12 12 SER CA C 12 58.340 57.645 0.695 1
1 65 . 5 1 1 A 12 12 SER HA H 12 4.477 5.203 -0.726 1
1 66 . 5 1 1 A 12 12 SER CB C 12 63.670 64.240 -0.570 1
1 68 . 5 1 1 A 12 12 SER C C 12 174.574 173.837 0.737 1
1 70 . 5 1 1 A 13 13 ILE N N 13 122.704 127.994 -5.290 1
1 71 . 5 1 1 A 13 13 ILE H H 13 8.189 9.300 -1.111 1
1 72 . 5 1 1 A 13 13 ILE CA C 13 61.364 60.857 0.507 1
1 73 . 5 1 1 A 13 13 ILE HA H 13 4.270 4.541 -0.271 1
1 74 . 5 1 1 A 13 13 ILE CB C 13 38.870 38.242 0.628 1
1 86 . 5 1 1 A 13 13 ILE C C 13 176.445 175.259 1.186 1
1 88 . 5 1 1 A 14 14 THR N N 14 118.671 117.994 0.677 1
1 89 . 5 1 1 A 14 14 THR H H 14 8.265 8.274 -0.009 1
1 90 . 5 1 1 A 14 14 THR CA C 14 62.080 59.311 2.769 1
1 91 . 5 1 1 A 14 14 THR HA H 14 4.338 4.975 -0.637 1
1 92 . 5 1 1 A 14 14 THR CB C 14 69.779 71.595 -1.816 1
1 98 . 5 1 1 A 14 14 THR C C 14 174.465 174.511 -0.046 1
1 99 . 5 1 1 A 15 15 ARG N N 15 124.132 123.116 1.016 1
1 100 . 5 1 1 A 15 15 ARG H H 15 8.428 9.022 -0.594 1
1 101 . 5 1 1 A 15 15 ARG CA C 15 56.221 57.328 -1.107 1
1 102 . 5 1 1 A 15 15 ARG HA H 15 4.447 4.488 -0.041 1
1 103 . 5 1 1 A 15 15 ARG CB C 15 30.949 32.918 -1.969 1
1 109 . 5 1 1 A 15 15 ARG C C 15 176.374 175.089 1.285 1
1 113 . 5 1 1 A 16 16 THR N N 16 115.339 113.976 1.363 1
1 114 . 5 1 1 A 16 16 THR H H 16 8.232 7.961 0.271 1
1 115 . 5 1 1 A 16 16 THR CA C 16 61.828 59.561 2.267 1
1 116 . 5 1 1 A 16 16 THR HA H 16 4.389 4.846 -0.457 1
1 117 . 5 1 1 A 16 16 THR CB C 16 69.896 71.024 -1.128 1
1 123 . 5 1 1 A 16 16 THR C C 16 174.518 173.201 1.317 1
1 124 . 5 1 1 A 17 17 SER N N 17 118.278 122.927 -4.649 1
1 125 . 5 1 1 A 17 17 SER H H 17 8.331 8.928 -0.597 1
1 126 . 5 1 1 A 17 17 SER CA C 17 58.326 56.801 1.525 1
1 127 . 5 1 1 A 17 17 SER HA H 17 4.500 5.171 -0.671 1
1 128 . 5 1 1 A 17 17 SER CB C 17 63.918 63.769 0.149 1
1 130 . 5 1 1 A 17 17 SER C C 17 174.172 172.823 1.349 1
1 132 . 5 1 1 A 18 18 ARG N N 18 122.935 127.517 -4.582 1
1 133 . 5 1 1 A 18 18 ARG H H 18 8.376 8.963 -0.587 1
1 134 . 5 1 1 A 18 18 ARG CA C 18 55.772 54.524 1.248 1
1 135 . 5 1 1 A 18 18 ARG HA H 18 4.386 5.250 -0.864 1
1 136 . 5 1 1 A 18 18 ARG CB C 18 31.073 33.092 -2.019 1
1 142 . 5 1 1 A 18 18 ARG C C 18 175.493 174.634 0.859 1
1 146 . 5 1 1 A 19 19 ALA N N 19 126.804 125.791 1.013 1
1 147 . 5 1 1 A 19 19 ALA H H 19 8.357 8.669 -0.312 1
1 148 . 5 1 1 A 19 19 ALA CA C 19 50.553 50.611 -0.058 1
1 149 . 5 1 1 A 19 19 ALA HA H 19 4.585 4.669 -0.084 1
1 150 . 5 1 1 A 19 19 ALA CB C 19 18.208 21.851 -3.643 1
1 154 . 5 1 1 A 19 19 ALA C C 19 175.408 176.888 -1.480 1
1 155 . 5 1 1 A 20 20 PRO CA C 20 63.352 63.854 -0.502 1
1 156 . 5 1 1 A 20 20 PRO HA H 20 4.455 4.539 -0.084 1
1 157 . 5 1 1 A 20 20 PRO CB C 20 32.196 31.718 0.478 1
1 163 . 5 1 1 A 20 20 PRO C C 20 176.846 176.361 0.485 1
1 167 . 5 1 1 A 21 21 SER N N 21 116.414 115.310 1.104 1
1 168 . 5 1 1 A 21 21 SER H H 21 8.449 7.888 0.561 1
1 169 . 5 1 1 A 21 21 SER CA C 21 58.507 60.219 -1.712 1
1 170 . 5 1 1 A 21 21 SER HA H 21 4.475 4.346 0.129 1
1 171 . 5 1 1 A 21 21 SER CB C 21 63.851 63.384 0.467 1
1 173 . 5 1 1 A 21 21 SER C C 21 174.344 173.852 0.492 1
1 175 . 5 1 1 A 22 22 VAL N N 22 120.580 121.216 -0.636 1
1 176 . 5 1 1 A 22 22 VAL H H 22 8.110 8.666 -0.556 1
1 177 . 5 1 1 A 22 22 VAL CA C 22 61.788 59.920 1.868 1
1 178 . 5 1 1 A 22 22 VAL HA H 22 4.293 4.867 -0.574 1
1 179 . 5 1 1 A 22 22 VAL CB C 22 33.445 34.014 -0.569 1
1 189 . 5 1 1 A 22 22 VAL C C 22 175.160 174.755 0.405 1
1 190 . 5 1 1 A 23 23 ALA N N 23 127.788 123.598 4.190 1
1 191 . 5 1 1 A 23 23 ALA H H 23 8.428 8.679 -0.251 1
1 192 . 5 1 1 A 23 23 ALA CA C 23 51.790 50.390 1.400 1
1 193 . 5 1 1 A 23 23 ALA HA H 23 4.594 5.136 -0.542 1
1 194 . 5 1 1 A 23 23 ALA CB C 23 21.050 21.926 -0.876 1
1 198 . 5 1 1 A 23 23 ALA C C 23 176.198 175.384 0.814 1
1 199 . 5 1 1 A 24 24 THR N N 24 115.139 118.654 -3.515 1
1 200 . 5 1 1 A 24 24 THR H H 24 8.338 8.936 -0.598 1
1 201 . 5 1 1 A 24 24 THR CA C 24 60.519 59.405 1.114 1
1 202 . 5 1 1 A 24 24 THR HA H 24 4.674 4.898 -0.224 1
1 203 . 5 1 1 A 24 24 THR CB C 24 72.048 70.864 1.184 1
1 209 . 5 1 1 A 24 24 THR C C 24 173.979 172.158 1.821 1
1 210 . 5 1 1 A 25 25 VAL N N 25 122.772 121.878 0.894 1
1 211 . 5 1 1 A 25 25 VAL H H 25 8.002 8.824 -0.822 1
1 212 . 5 1 1 A 25 25 VAL CA C 25 64.582 59.880 4.702 1
1 213 . 5 1 1 A 25 25 VAL HA H 25 3.280 4.656 -1.376 1
1 214 . 5 1 1 A 25 25 VAL CB C 25 32.102 35.128 -3.026 1
1 224 . 5 1 1 A 25 25 VAL C C 25 176.709 175.520 1.189 1
1 225 . 5 1 1 A 26 26 GLY N N 26 112.345 115.849 -3.504 1
1 226 . 5 1 1 A 26 26 GLY H H 26 8.344 8.889 -0.545 1
1 227 . 5 1 1 A 26 26 GLY CA C 26 45.534 46.753 -1.219 1
1 228 . 5 1 1 A 26 26 GLY HA3 H 26 4.166 3.894 0.272 1
1 229 . 5 1 1 A 26 26 GLY C C 26 173.701 173.460 0.241 1
1 230 . 5 1 1 A 26 26 GLY HA2 H 26 3.519 3.883 -0.364 1
1 231 . 5 1 1 A 27 27 SER N N 27 116.474 113.113 3.361 1
1 232 . 5 1 1 A 27 27 SER H H 27 7.738 7.690 0.048 1
1 233 . 5 1 1 A 27 27 SER CA C 27 57.264 57.449 -0.185 1
1 234 . 5 1 1 A 27 27 SER HA H 27 4.692 4.649 0.043 1
1 235 . 5 1 1 A 27 27 SER CB C 27 65.270 64.452 0.818 1
1 237 . 5 1 1 A 27 27 SER C C 27 172.491 172.962 -0.471 1
1 239 . 5 1 1 A 28 28 ILE N N 28 122.052 123.852 -1.800 1
1 240 . 5 1 1 A 28 28 ILE H H 28 8.350 8.670 -0.320 1
1 241 . 5 1 1 A 28 28 ILE CA C 28 62.995 62.209 0.786 1
1 242 . 5 1 1 A 28 28 ILE HA H 28 3.693 4.168 -0.475 1
1 243 . 5 1 1 A 28 28 ILE CB C 28 38.221 37.083 1.138 1
1 255 . 5 1 1 A 28 28 ILE C C 28 175.624 174.658 0.966 1
1 257 . 5 1 1 A 29 29 CYS N N 29 129.493 127.717 1.776 1
1 258 . 5 1 1 A 29 29 CYS H H 29 8.730 8.746 -0.016 1
1 259 . 5 1 1 A 29 29 CYS CA C 29 58.201 57.151 1.050 1
1 260 . 5 1 1 A 29 29 CYS HA H 29 4.451 4.858 -0.407 1
1 261 . 5 1 1 A 29 29 CYS CB C 29 28.560 28.677 -0.117 1
1 263 . 5 1 1 A 29 29 CYS C C 29 171.207 172.627 -1.420 1
1 265 . 5 1 1 A 30 30 ASP N N 30 123.789 127.947 -4.158 1
1 266 . 5 1 1 A 30 30 ASP H H 30 8.000 8.503 -0.503 1
1 267 . 5 1 1 A 30 30 ASP CA C 30 52.692 54.141 -1.449 1
1 268 . 5 1 1 A 30 30 ASP HA H 30 5.315 4.848 0.467 1
1 269 . 5 1 1 A 30 30 ASP CB C 30 43.397 41.398 1.999 1
1 271 . 5 1 1 A 30 30 ASP C C 30 175.569 174.761 0.808 1
1 273 . 5 1 1 A 31 31 LEU N N 31 125.116 127.102 -1.986 1
1 274 . 5 1 1 A 31 31 LEU H H 31 9.147 9.146 0.001 1
1 275 . 5 1 1 A 31 31 LEU CA C 31 53.606 53.546 0.060 1
1 276 . 5 1 1 A 31 31 LEU HA H 31 4.515 4.804 -0.289 1
1 277 . 5 1 1 A 31 31 LEU CB C 31 43.262 44.209 -0.947 1
1 289 . 5 1 1 A 31 31 LEU C C 31 174.935 175.291 -0.356 1
1 291 . 5 1 1 A 32 32 ASN N N 32 124.687 124.486 0.201 1
1 292 . 5 1 1 A 32 32 ASN H H 32 8.690 8.678 0.012 1
1 293 . 5 1 1 A 32 32 ASN CA C 32 53.696 52.002 1.694 1
1 294 . 5 1 1 A 32 32 ASN HA H 32 5.077 5.280 -0.203 1
1 295 . 5 1 1 A 32 32 ASN CB C 32 39.842 39.661 0.181 1
1 300 . 5 1 1 A 32 32 ASN C C 32 174.322 174.747 -0.425 1
1 302 . 5 1 1 A 33 33 LEU N N 33 123.838 123.395 0.443 1
1 303 . 5 1 1 A 33 33 LEU H H 33 8.912 8.260 0.652 1
1 304 . 5 1 1 A 33 33 LEU CA C 33 53.820 53.364 0.456 1
1 305 . 5 1 1 A 33 33 LEU HA H 33 4.638 4.933 -0.295 1
1 306 . 5 1 1 A 33 33 LEU CB C 33 45.587 45.534 0.053 1
1 318 . 5 1 1 A 33 33 LEU C C 33 175.719 175.261 0.458 1
1 320 . 5 1 1 A 34 34 LYS N N 34 124.925 121.483 3.442 1
1 321 . 5 1 1 A 34 34 LYS H H 34 8.718 8.432 0.286 1
1 322 . 5 1 1 A 34 34 LYS CA C 34 55.079 55.910 -0.831 1
1 323 . 5 1 1 A 34 34 LYS HA H 34 5.036 4.743 0.293 1
1 324 . 5 1 1 A 34 34 LYS CB C 34 32.121 32.940 -0.819 1
1 332 . 5 1 1 A 34 34 LYS C C 34 176.081 175.163 0.918 1
1 337 . 5 1 1 A 35 35 ILE N N 35 123.769 125.049 -1.280 1
1 338 . 5 1 1 A 35 35 ILE H H 35 7.935 8.292 -0.357 1
1 339 . 5 1 1 A 35 35 ILE CA C 35 58.161 57.318 0.843 1
1 340 . 5 1 1 A 35 35 ILE HA H 35 4.612 4.544 0.068 1
1 341 . 5 1 1 A 35 35 ILE CB C 35 40.616 41.440 -0.824 1
1 353 . 5 1 1 A 35 35 ILE C C 35 173.405 174.170 -0.765 1
1 355 . 5 1 1 A 36 36 PRO CA C 36 63.143 62.302 0.841 1
1 356 . 5 1 1 A 36 36 PRO HA H 36 4.435 4.604 -0.169 1
1 357 . 5 1 1 A 36 36 PRO CB C 36 32.806 33.324 -0.518 1
1 363 . 5 1 1 A 36 36 PRO C C 36 176.844 176.942 -0.098 1
1 367 . 5 1 1 A 37 37 GLU N N 37 114.188 119.747 -5.559 1
1 368 . 5 1 1 A 37 37 GLU H H 37 8.358 8.759 -0.401 1
1 369 . 5 1 1 A 37 37 GLU CA C 37 59.038 59.600 -0.562 1
1 370 . 5 1 1 A 37 37 GLU HA H 37 3.916 3.984 -0.068 1
1 371 . 5 1 1 A 37 37 GLU CB C 37 28.206 29.380 -1.174 1
1 375 . 5 1 1 A 37 37 GLU C C 37 175.996 177.619 -1.623 1
1 378 . 5 1 1 A 38 38 ILE N N 38 118.733 122.868 -4.135 1
1 379 . 5 1 1 A 38 38 ILE H H 38 7.679 7.431 0.248 1
1 380 . 5 1 1 A 38 38 ILE CA C 38 60.711 62.129 -1.418 1
1 381 . 5 1 1 A 38 38 ILE HA H 38 4.029 3.942 0.087 1
1 382 . 5 1 1 A 38 38 ILE CB C 38 40.278 37.868 2.410 1
1 394 . 5 1 1 A 38 38 ILE C C 38 175.255 176.154 -0.899 1
1 396 . 5 1 1 A 39 39 ASN H H 39 8.593 8.794 -0.201 1
1 397 . 5 1 1 A 39 39 ASN CA C 39 52.929 52.032 0.897 1
1 398 . 5 1 1 A 39 39 ASN HA H 39 4.921 5.092 -0.171 1
1 399 . 5 1 1 A 39 39 ASN CB C 39 39.419 40.338 -0.919 1
1 404 . 5 1 1 A 39 39 ASN C C 39 176.891 176.250 0.641 1
1 406 . 5 1 1 A 40 40 SER N N 40 120.676 116.608 4.068 1
1 407 . 5 1 1 A 40 40 SER H H 40 8.995 8.739 0.256 1
1 408 . 5 1 1 A 40 40 SER CA C 40 62.318 60.121 2.197 1
1 409 . 5 1 1 A 40 40 SER HA H 40 4.058 4.184 -0.126 1
1 410 . 5 1 1 A 40 40 SER CB C 40 63.297 63.832 -0.535 1
1 412 . 5 1 1 A 40 40 SER C C 40 176.866 176.496 0.370 1
1 414 . 5 1 1 A 41 41 SER N N 41 112.249 116.979 -4.730 1
1 415 . 5 1 1 A 41 41 SER H H 41 8.253 8.218 0.035 1
1 416 . 5 1 1 A 41 41 SER CA C 41 60.133 60.959 -0.826 1
1 417 . 5 1 1 A 41 41 SER HA H 41 4.348 4.305 0.043 1
1 418 . 5 1 1 A 41 41 SER CB C 41 62.986 62.621 0.365 1
1 420 . 5 1 1 A 41 41 SER C C 41 174.885 175.027 -0.142 1
1 422 . 5 1 1 A 42 42 ASP N N 42 119.471 119.032 0.439 1
1 423 . 5 1 1 A 42 42 ASP H H 42 7.835 7.977 -0.142 1
1 424 . 5 1 1 A 42 42 ASP CA C 42 54.713 54.152 0.561 1
1 425 . 5 1 1 A 42 42 ASP HA H 42 4.933 4.742 0.191 1
1 426 . 5 1 1 A 42 42 ASP CB C 42 42.479 42.292 0.187 1
1 428 . 5 1 1 A 42 42 ASP C C 42 175.586 176.128 -0.542 1
1 430 . 5 1 1 A 43 43 MET N N 43 119.155 118.450 0.705 1
1 431 . 5 1 1 A 43 43 MET H H 43 7.549 7.791 -0.242 1
1 432 . 5 1 1 A 43 43 MET CA C 43 54.927 54.582 0.345 1
1 433 . 5 1 1 A 43 43 MET HA H 43 5.359 4.999 0.360 1
1 434 . 5 1 1 A 43 43 MET CB C 43 37.158 35.129 2.029 1
1 442 . 5 1 1 A 43 43 MET C C 43 174.894 175.263 -0.369 1
1 445 . 5 1 1 A 44 44 SER N N 44 114.070 114.951 -0.881 1
1 446 . 5 1 1 A 44 44 SER H H 44 8.739 8.409 0.330 1
1 447 . 5 1 1 A 44 44 SER CA C 44 56.937 57.047 -0.110 1
1 448 . 5 1 1 A 44 44 SER HA H 44 4.700 5.259 -0.559 1
1 449 . 5 1 1 A 44 44 SER CB C 44 66.247 66.212 0.035 1
1 451 . 5 1 1 A 44 44 SER C C 44 172.764 173.024 -0.260 1
1 453 . 5 1 1 A 45 45 ALA N N 45 126.192 125.036 1.156 1
1 454 . 5 1 1 A 45 45 ALA H H 45 9.123 8.462 0.661 1
1 455 . 5 1 1 A 45 45 ALA CA C 45 50.378 51.358 -0.980 1
1 456 . 5 1 1 A 45 45 ALA HA H 45 5.741 5.184 0.557 1
1 457 . 5 1 1 A 45 45 ALA CB C 45 23.330 21.735 1.595 1
1 461 . 5 1 1 A 45 45 ALA C C 45 175.089 175.550 -0.461 1
1 462 . 5 1 1 A 46 46 HIS N N 46 119.075 119.330 -0.255 1
1 463 . 5 1 1 A 46 46 HIS H H 46 8.701 8.760 -0.059 1
1 464 . 5 1 1 A 46 46 HIS CA C 46 55.999 54.715 1.284 1
1 465 . 5 1 1 A 46 46 HIS HA H 46 5.157 5.149 0.008 1
1 466 . 5 1 1 A 46 46 HIS CB C 46 34.239 33.931 0.308 1
1 472 . 5 1 1 A 46 46 HIS C C 46 174.155 174.338 -0.183 1
1 474 . 5 1 1 A 47 47 VAL N N 47 125.059 121.656 3.403 1
1 475 . 5 1 1 A 47 47 VAL H H 47 9.488 9.477 0.011 1
1 476 . 5 1 1 A 47 47 VAL CA C 47 60.604 61.344 -0.740 1
1 477 . 5 1 1 A 47 47 VAL HA H 47 4.730 4.350 0.380 1
1 478 . 5 1 1 A 47 47 VAL CB C 47 33.769 31.950 1.819 1
1 488 . 5 1 1 A 47 47 VAL C C 47 175.126 175.417 -0.291 1
1 489 . 5 1 1 A 48 48 THR N N 48 124.473 123.562 0.911 1
1 490 . 5 1 1 A 48 48 THR H H 48 9.432 8.740 0.692 1
1 491 . 5 1 1 A 48 48 THR CA C 48 61.766 62.685 -0.919 1
1 492 . 5 1 1 A 48 48 THR HA H 48 5.164 4.568 0.596 1
1 493 . 5 1 1 A 48 48 THR CB C 48 69.384 69.757 -0.373 1
1 499 . 5 1 1 A 48 48 THR C C 48 174.573 174.262 0.311 1
1 500 . 5 1 1 A 49 49 SER N N 49 125.657 119.920 5.737 1
1 501 . 5 1 1 A 49 49 SER H H 49 9.043 8.942 0.101 1
1 502 . 5 1 1 A 49 49 SER CA C 49 56.638 55.714 0.924 1
1 503 . 5 1 1 A 49 49 SER HA H 49 4.225 4.756 -0.531 1
1 504 . 5 1 1 A 49 49 SER CB C 49 62.948 64.323 -1.375 1
1 506 . 5 1 1 A 49 49 SER C C 49 174.034 174.189 -0.155 1
1 508 . 5 1 1 A 50 50 PRO CA C 50 65.784 64.063 1.721 1
1 509 . 5 1 1 A 50 50 PRO HA H 50 4.260 4.443 -0.183 1
1 510 . 5 1 1 A 50 50 PRO CB C 50 31.493 31.601 -0.108 1
1 516 . 5 1 1 A 50 50 PRO C C 50 177.687 176.873 0.814 1
1 520 . 5 1 1 A 51 51 SER N N 51 110.322 111.275 -0.953 1
1 521 . 5 1 1 A 51 51 SER H H 51 8.349 7.700 0.649 1
1 522 . 5 1 1 A 51 51 SER CA C 51 59.076 58.268 0.808 1
1 523 . 5 1 1 A 51 51 SER HA H 51 4.332 4.532 -0.200 1
1 524 . 5 1 1 A 51 51 SER CB C 51 62.825 65.350 -2.525 1
1 526 . 5 1 1 A 51 51 SER C C 51 175.363 175.240 0.123 1
1 528 . 5 1 1 A 52 52 GLY N N 52 111.132 110.085 1.047 1
1 529 . 5 1 1 A 52 52 GLY H H 52 8.289 7.738 0.551 1
1 530 . 5 1 1 A 52 52 GLY CA C 52 44.831 45.195 -0.364 1
1 531 . 5 1 1 A 52 52 GLY HA3 H 52 4.302 4.041 0.261 1
1 532 . 5 1 1 A 52 52 GLY C C 52 174.002 174.510 -0.508 1
1 533 . 5 1 1 A 52 52 GLY HA2 H 52 3.421 4.038 -0.617 1
1 534 . 5 1 1 A 53 53 ARG N N 53 121.515 120.501 1.014 1
1 535 . 5 1 1 A 53 53 ARG H H 53 7.322 7.736 -0.414 1
1 536 . 5 1 1 A 53 53 ARG CA C 53 56.749 56.565 0.184 1
1 537 . 5 1 1 A 53 53 ARG HA H 53 4.222 4.353 -0.131 1
1 538 . 5 1 1 A 53 53 ARG CB C 53 30.430 31.497 -1.067 1
1 544 . 5 1 1 A 53 53 ARG C C 53 176.023 174.929 1.094 1
1 548 . 5 1 1 A 54 54 VAL N N 54 128.383 120.939 7.444 1
1 549 . 5 1 1 A 54 54 VAL H H 54 8.780 8.506 0.274 1
1 550 . 5 1 1 A 54 54 VAL CA C 54 61.533 60.968 0.565 1
1 551 . 5 1 1 A 54 54 VAL HA H 54 5.243 4.880 0.363 1
1 552 . 5 1 1 A 54 54 VAL CB C 54 33.205 35.367 -2.162 1
1 562 . 5 1 1 A 54 54 VAL C C 54 176.783 174.608 2.175 1
1 563 . 5 1 1 A 55 55 THR N N 55 121.757 123.363 -1.606 1
1 564 . 5 1 1 A 55 55 THR H H 55 9.188 8.895 0.293 1
1 565 . 5 1 1 A 55 55 THR CA C 55 60.216 60.526 -0.310 1
1 566 . 5 1 1 A 55 55 THR HA H 55 4.751 4.917 -0.166 1
1 567 . 5 1 1 A 55 55 THR CB C 55 71.896 71.775 0.121 1
1 573 . 5 1 1 A 55 55 THR C C 55 173.454 173.243 0.211 1
1 574 . 5 1 1 A 56 56 GLU N N 56 125.373 124.519 0.854 1
1 575 . 5 1 1 A 56 56 GLU H H 56 8.927 8.778 0.149 1
1 576 . 5 1 1 A 56 56 GLU CA C 56 57.019 55.785 1.234 1
1 577 . 5 1 1 A 56 56 GLU HA H 56 4.365 4.645 -0.280 1
1 578 . 5 1 1 A 56 56 GLU CB C 56 30.230 30.948 -0.718 1
1 582 . 5 1 1 A 56 56 GLU C C 56 175.556 175.838 -0.282 1
1 585 . 5 1 1 A 57 57 ALA N N 57 128.204 127.655 0.549 1
1 586 . 5 1 1 A 57 57 ALA H H 57 8.201 8.916 -0.715 1
1 587 . 5 1 1 A 57 57 ALA CA C 57 50.068 50.069 -0.001 1
1 588 . 5 1 1 A 57 57 ALA HA H 57 4.827 5.146 -0.319 1
1 589 . 5 1 1 A 57 57 ALA CB C 57 21.531 22.677 -1.146 1
1 593 . 5 1 1 A 57 57 ALA C C 57 175.178 175.291 -0.113 1
1 594 . 5 1 1 A 58 58 GLU N N 58 120.950 120.461 0.489 1
1 595 . 5 1 1 A 58 58 GLU H H 58 8.202 8.928 -0.726 1
1 596 . 5 1 1 A 58 58 GLU CA C 58 55.505 55.142 0.363 1
1 597 . 5 1 1 A 58 58 GLU HA H 58 4.509 5.060 -0.551 1
1 598 . 5 1 1 A 58 58 GLU CB C 58 32.301 33.263 -0.962 1
1 602 . 5 1 1 A 58 58 GLU C C 58 175.025 175.214 -0.189 1
1 605 . 5 1 1 A 59 59 ILE N N 59 122.574 125.533 -2.959 1
1 606 . 5 1 1 A 59 59 ILE H H 59 8.578 9.061 -0.483 1
1 607 . 5 1 1 A 59 59 ILE CA C 59 60.355 60.169 0.186 1
1 608 . 5 1 1 A 59 59 ILE HA H 59 4.954 4.637 0.317 1
1 609 . 5 1 1 A 59 59 ILE CB C 59 38.374 39.233 -0.859 1
1 621 . 5 1 1 A 59 59 ILE C C 59 175.709 175.398 0.311 1
1 623 . 5 1 1 A 60 60 VAL N N 60 129.074 128.622 0.452 1
1 624 . 5 1 1 A 60 60 VAL H H 60 9.543 8.667 0.876 1
1 625 . 5 1 1 A 60 60 VAL CA C 60 58.472 61.002 -2.530 1
1 626 . 5 1 1 A 60 60 VAL HA H 60 4.737 4.251 0.486 1
1 627 . 5 1 1 A 60 60 VAL CB C 60 34.522 32.378 2.144 1
1 637 . 5 1 1 A 60 60 VAL C C 60 174.024 174.445 -0.421 1
1 638 . 5 1 1 A 61 61 PRO CA C 61 63.313 62.427 0.886 1
1 639 . 5 1 1 A 61 61 PRO HA H 61 4.611 4.683 -0.072 1
1 640 . 5 1 1 A 61 61 PRO CB C 61 32.270 31.956 0.314 1
1 646 . 5 1 1 A 61 61 PRO C C 61 177.388 175.854 1.534 1
1 650 . 5 1 1 A 62 62 MET N N 62 122.153 118.589 3.564 1
1 651 . 5 1 1 A 62 62 MET H H 62 7.843 8.843 -1.000 1
1 652 . 5 1 1 A 62 62 MET CA C 62 53.470 56.204 -2.734 1
1 653 . 5 1 1 A 62 62 MET HA H 62 4.765 4.501 0.264 1
1 654 . 5 1 1 A 62 62 MET CB C 62 33.144 33.742 -0.598 1
1 662 . 5 1 1 A 62 62 MET C C 62 175.742 176.468 -0.726 1
1 665 . 5 1 1 A 63 63 GLY N N 63 109.196 103.701 5.495 1
1 666 . 5 1 1 A 63 63 GLY H H 63 7.757 7.324 0.433 1
1 667 . 5 1 1 A 63 63 GLY CA C 63 44.092 44.512 -0.420 1
1 668 . 5 1 1 A 63 63 GLY HA3 H 63 4.193 4.049 0.144 1
1 669 . 5 1 1 A 63 63 GLY C C 63 173.451 174.458 -1.007 1
1 670 . 5 1 1 A 63 63 GLY HA2 H 63 3.757 4.045 -0.288 1
1 671 . 5 1 1 A 64 64 LYS CA C 64 58.104 59.004 -0.900 1
1 672 . 5 1 1 A 64 64 LYS HA H 64 3.994 4.049 -0.055 1
1 673 . 5 1 1 A 64 64 LYS CB C 64 31.766 31.871 -0.105 1
1 681 . 5 1 1 A 64 64 LYS C C 64 177.657 176.872 0.785 1
1 686 . 5 1 1 A 65 65 ASN N N 65 117.648 114.576 3.072 1
1 687 . 5 1 1 A 65 65 ASN H H 65 8.860 8.091 0.769 1
1 688 . 5 1 1 A 65 65 ASN CA C 65 54.222 52.164 2.058 1
1 689 . 5 1 1 A 65 65 ASN HA H 65 4.587 5.086 -0.499 1
1 690 . 5 1 1 A 65 65 ASN CB C 65 38.313 39.235 -0.922 1
1 695 . 5 1 1 A 65 65 ASN C C 65 173.302 174.694 -1.392 1
1 697 . 5 1 1 A 66 66 SER N N 66 112.701 115.530 -2.829 1
1 698 . 5 1 1 A 66 66 SER H H 66 7.367 7.718 -0.351 1
1 699 . 5 1 1 A 66 66 SER CA C 66 57.766 56.935 0.831 1
1 700 . 5 1 1 A 66 66 SER HA H 66 5.112 5.167 -0.055 1
1 701 . 5 1 1 A 66 66 SER CB C 66 65.000 66.053 -1.053 1
1 703 . 5 1 1 A 66 66 SER C C 66 172.793 172.778 0.015 1
1 705 . 5 1 1 A 67 67 HIS N N 67 124.096 120.133 3.963 1
1 706 . 5 1 1 A 67 67 HIS H H 67 8.735 8.911 -0.176 1
1 707 . 5 1 1 A 67 67 HIS CA C 67 55.123 54.468 0.655 1
1 708 . 5 1 1 A 67 67 HIS HA H 67 4.975 4.982 -0.007 1
1 709 . 5 1 1 A 67 67 HIS CB C 67 34.914 33.943 0.971 1
1 715 . 5 1 1 A 67 67 HIS C C 67 173.884 173.917 -0.033 1
1 717 . 5 1 1 A 68 68 CYS N N 68 122.598 123.024 -0.426 1
1 718 . 5 1 1 A 68 68 CYS H H 68 9.333 8.433 0.900 1
1 719 . 5 1 1 A 68 68 CYS CA C 68 56.907 57.438 -0.531 1
1 720 . 5 1 1 A 68 68 CYS HA H 68 5.311 4.966 0.345 1
1 721 . 5 1 1 A 68 68 CYS CB C 68 29.314 30.541 -1.227 1
1 723 . 5 1 1 A 68 68 CYS C C 68 173.554 173.282 0.272 1
1 725 . 5 1 1 A 69 69 VAL N N 69 128.613 126.964 1.649 1
1 726 . 5 1 1 A 69 69 VAL H H 69 9.074 8.849 0.225 1
1 727 . 5 1 1 A 69 69 VAL CA C 69 61.632 61.536 0.096 1
1 728 . 5 1 1 A 69 69 VAL HA H 69 4.725 4.844 -0.119 1
1 729 . 5 1 1 A 69 69 VAL CB C 69 32.387 33.234 -0.847 1
1 739 . 5 1 1 A 69 69 VAL C C 69 174.230 175.220 -0.990 1
1 740 . 5 1 1 A 70 70 ARG N N 70 128.053 124.218 3.835 1
1 741 . 5 1 1 A 70 70 ARG H H 70 9.052 8.645 0.407 1
1 742 . 5 1 1 A 70 70 ARG CA C 70 54.797 54.408 0.389 1
1 743 . 5 1 1 A 70 70 ARG HA H 70 5.761 4.945 0.816 1
1 744 . 5 1 1 A 70 70 ARG CB C 70 34.395 32.823 1.572 1
1 751 . 5 1 1 A 70 70 ARG C C 70 175.918 174.694 1.224 1
1 755 . 5 1 1 A 71 71 PHE N N 71 122.942 117.039 5.903 1
1 756 . 5 1 1 A 71 71 PHE H H 71 8.702 8.393 0.309 1
1 757 . 5 1 1 A 71 71 PHE CA C 71 55.748 56.307 -0.559 1
1 758 . 5 1 1 A 71 71 PHE HA H 71 4.936 5.094 -0.158 1
1 759 . 5 1 1 A 71 71 PHE CB C 71 41.245 40.880 0.365 1
1 771 . 5 1 1 A 71 71 PHE C C 71 171.709 172.127 -0.418 1
1 773 . 5 1 1 A 72 72 VAL N N 72 122.214 120.428 1.786 1
1 774 . 5 1 1 A 72 72 VAL H H 72 8.512 8.946 -0.434 1
1 775 . 5 1 1 A 72 72 VAL CA C 72 58.398 59.463 -1.065 1
1 776 . 5 1 1 A 72 72 VAL HA H 72 4.752 4.716 0.036 1
1 777 . 5 1 1 A 72 72 VAL CB C 72 32.747 32.291 0.456 1
1 787 . 5 1 1 A 72 72 VAL C C 72 174.416 175.173 -0.757 1
1 788 . 5 1 1 A 73 73 PRO CA C 73 62.606 62.655 -0.049 1
1 789 . 5 1 1 A 73 73 PRO HA H 73 4.646 5.065 -0.419 1
1 790 . 5 1 1 A 73 73 PRO CB C 73 33.679 29.691 3.988 1
1 796 . 5 1 1 A 73 73 PRO C C 73 176.757 175.585 1.172 1
1 800 . 5 1 1 A 74 74 GLN N N 74 119.992 118.240 1.752 1
1 801 . 5 1 1 A 74 74 GLN H H 74 9.869 8.365 1.504 1
1 802 . 5 1 1 A 74 74 GLN CA C 74 55.156 54.337 0.819 1
1 803 . 5 1 1 A 74 74 GLN HA H 74 4.602 5.355 -0.753 1
1 804 . 5 1 1 A 74 74 GLN CB C 74 31.405 30.523 0.882 1
1 811 . 5 1 1 A 74 74 GLN C C 74 174.987 174.520 0.467 1
1 814 . 5 1 1 A 75 75 GLU N N 75 119.264 123.211 -3.947 1
1 815 . 5 1 1 A 75 75 GLU H H 75 8.009 8.984 -0.975 1
1 816 . 5 1 1 A 75 75 GLU CA C 75 54.138 54.376 -0.238 1
1 817 . 5 1 1 A 75 75 GLU HA H 75 4.657 4.765 -0.108 1
1 818 . 5 1 1 A 75 75 GLU CB C 75 34.046 33.161 0.885 1
1 822 . 5 1 1 A 75 75 GLU C C 75 173.922 175.842 -1.920 1
1 825 . 5 1 1 A 76 76 MET N N 76 117.176 119.323 -2.147 1
1 826 . 5 1 1 A 76 76 MET H H 76 8.450 8.612 -0.162 1
1 827 . 5 1 1 A 76 76 MET CA C 76 55.468 55.670 -0.202 1
1 828 . 5 1 1 A 76 76 MET HA H 76 4.275 4.763 -0.488 1
1 829 . 5 1 1 A 76 76 MET CB C 76 34.487 33.503 0.984 1
1 837 . 5 1 1 A 76 76 MET C C 76 175.964 175.819 0.145 1
1 840 . 5 1 1 A 77 77 GLY N N 77 106.906 106.786 0.120 1
1 841 . 5 1 1 A 77 77 GLY H H 77 9.058 7.551 1.507 1
1 842 . 5 1 1 A 77 77 GLY CA C 77 43.832 46.133 -2.301 1
1 843 . 5 1 1 A 77 77 GLY HA3 H 77 3.944 4.106 -0.162 1
1 844 . 5 1 1 A 77 77 GLY C C 77 176.459 171.767 4.692 1
1 845 . 5 1 1 A 77 77 GLY HA2 H 77 4.787 4.071 0.716 1
1 846 . 5 1 1 A 78 78 VAL N N 78 125.184 122.546 2.638 1
1 847 . 5 1 1 A 78 78 VAL H H 78 9.293 8.237 1.056 1
1 848 . 5 1 1 A 78 78 VAL CA C 78 64.999 61.473 3.526 1
1 849 . 5 1 1 A 78 78 VAL HA H 78 4.178 4.514 -0.336 1
1 850 . 5 1 1 A 78 78 VAL CB C 78 31.558 33.016 -1.458 1
1 860 . 5 1 1 A 78 78 VAL C C 78 175.942 173.827 2.115 1
1 861 . 5 1 1 A 79 79 HIS N N 79 128.345 125.886 2.459 1
1 862 . 5 1 1 A 79 79 HIS H H 79 9.553 8.583 0.970 1
1 863 . 5 1 1 A 79 79 HIS CA C 79 55.063 53.952 1.111 1
1 864 . 5 1 1 A 79 79 HIS HA H 79 4.798 5.157 -0.359 1
1 865 . 5 1 1 A 79 79 HIS CB C 79 31.489 31.698 -0.209 1
1 871 . 5 1 1 A 79 79 HIS C C 79 174.069 174.364 -0.295 1
1 873 . 5 1 1 A 80 80 THR N N 80 114.672 118.251 -3.579 1
1 874 . 5 1 1 A 80 80 THR H H 80 8.452 8.595 -0.143 1
1 875 . 5 1 1 A 80 80 THR CA C 80 61.075 61.815 -0.740 1
1 876 . 5 1 1 A 80 80 THR HA H 80 5.213 5.239 -0.026 1
1 877 . 5 1 1 A 80 80 THR CB C 80 70.795 70.596 0.199 1
1 883 . 5 1 1 A 80 80 THR C C 80 173.863 173.374 0.489 1
1 884 . 5 1 1 A 81 81 VAL N N 81 127.546 129.674 -2.128 1
1 885 . 5 1 1 A 81 81 VAL H H 81 9.701 9.243 0.458 1
1 886 . 5 1 1 A 81 81 VAL CA C 81 60.799 61.314 -0.515 1
1 887 . 5 1 1 A 81 81 VAL HA H 81 4.782 4.507 0.275 1
1 888 . 5 1 1 A 81 81 VAL CB C 81 33.635 33.282 0.353 1
1 898 . 5 1 1 A 81 81 VAL C C 81 174.707 175.433 -0.726 1
1 899 . 5 1 1 A 82 82 SER N N 82 123.308 126.230 -2.922 1
1 900 . 5 1 1 A 82 82 SER H H 82 9.104 9.330 -0.226 1
1 901 . 5 1 1 A 82 82 SER CA C 82 56.981 58.131 -1.150 1
1 902 . 5 1 1 A 82 82 SER HA H 82 5.108 5.269 -0.161 1
1 903 . 5 1 1 A 82 82 SER CB C 82 64.728 63.892 0.836 1
1 905 . 5 1 1 A 82 82 SER C C 82 173.688 173.759 -0.071 1
1 907 . 5 1 1 A 83 83 VAL N N 83 129.049 127.255 1.794 1
1 908 . 5 1 1 A 83 83 VAL H H 83 9.925 9.176 0.749 1
1 909 . 5 1 1 A 83 83 VAL CA C 83 61.669 61.451 0.218 1
1 910 . 5 1 1 A 83 83 VAL HA H 83 4.897 4.717 0.180 1
1 911 . 5 1 1 A 83 83 VAL CB C 83 33.590 32.896 0.694 1
1 921 . 5 1 1 A 83 83 VAL C C 83 174.094 174.874 -0.780 1
1 922 . 5 1 1 A 84 84 LYS N N 84 123.792 127.115 -3.323 1
1 923 . 5 1 1 A 84 84 LYS H H 84 8.768 9.056 -0.288 1
1 924 . 5 1 1 A 84 84 LYS CA C 84 54.435 54.484 -0.049 1
1 925 . 5 1 1 A 84 84 LYS HA H 84 5.153 4.863 0.290 1
1 926 . 5 1 1 A 84 84 LYS CB C 84 37.608 35.453 2.155 1
1 934 . 5 1 1 A 84 84 LYS C C 84 174.908 174.446 0.462 1
1 939 . 5 1 1 A 85 85 TYR N N 85 120.439 124.558 -4.119 1
1 940 . 5 1 1 A 85 85 TYR H H 85 8.926 9.276 -0.350 1
1 941 . 5 1 1 A 85 85 TYR CA C 85 56.005 57.362 -1.357 1
1 942 . 5 1 1 A 85 85 TYR HA H 85 4.938 4.839 0.099 1
1 943 . 5 1 1 A 85 85 TYR CB C 85 41.386 40.356 1.030 1
1 953 . 5 1 1 A 85 85 TYR C C 85 175.255 174.951 0.304 1
1 955 . 5 1 1 A 86 86 ARG N N 86 127.150 128.545 -1.395 1
1 956 . 5 1 1 A 86 86 ARG H H 86 9.115 9.716 -0.601 1
1 957 . 5 1 1 A 86 86 ARG CA C 86 57.122 57.044 0.078 1
1 958 . 5 1 1 A 86 86 ARG HA H 86 3.659 3.911 -0.252 1
1 959 . 5 1 1 A 86 86 ARG CB C 86 27.563 27.730 -0.167 1
1 965 . 5 1 1 A 86 86 ARG C C 86 176.482 176.373 0.109 1
1 969 . 5 1 1 A 87 87 GLY N N 87 102.394 104.085 -1.691 1
1 970 . 5 1 1 A 87 87 GLY H H 87 8.564 8.622 -0.058 1
1 971 . 5 1 1 A 87 87 GLY CA C 87 45.388 46.121 -0.733 1
1 972 . 5 1 1 A 87 87 GLY HA3 H 87 4.099 3.846 0.253 1
1 973 . 5 1 1 A 87 87 GLY C C 87 173.631 173.625 0.006 1
1 974 . 5 1 1 A 87 87 GLY HA2 H 87 3.460 3.841 -0.381 1
1 975 . 5 1 1 A 88 88 GLN N N 88 119.060 119.243 -0.183 1
1 976 . 5 1 1 A 88 88 GLN H H 88 7.665 7.852 -0.187 1
1 977 . 5 1 1 A 88 88 GLN CA C 88 53.265 54.265 -1.000 1
1 978 . 5 1 1 A 88 88 GLN HA H 88 4.749 4.788 -0.039 1
1 979 . 5 1 1 A 88 88 GLN CB C 88 31.383 31.772 -0.389 1
1 986 . 5 1 1 A 88 88 GLN C C 88 175.689 174.746 0.943 1
1 989 . 5 1 1 A 89 89 HIS N N 89 123.344 123.665 -0.321 1
1 990 . 5 1 1 A 89 89 HIS H H 89 8.789 8.718 0.071 1
1 991 . 5 1 1 A 89 89 HIS CA C 89 59.011 57.561 1.450 1
1 992 . 5 1 1 A 89 89 HIS HA H 89 4.546 4.513 0.033 1
1 993 . 5 1 1 A 89 89 HIS CB C 89 32.365 30.405 1.960 1
1 999 . 5 1 1 A 89 89 HIS C C 89 178.152 175.943 2.209 1
1 1001 . 5 1 1 A 90 90 VAL N N 90 117.749 120.890 -3.141 1
1 1002 . 5 1 1 A 90 90 VAL H H 90 8.436 8.366 0.070 1
1 1003 . 5 1 1 A 90 90 VAL CA C 90 60.473 61.677 -1.204 1
1 1004 . 5 1 1 A 90 90 VAL HA H 90 4.535 4.267 0.268 1
1 1005 . 5 1 1 A 90 90 VAL CB C 90 32.489 33.751 -1.262 1
1 1015 . 5 1 1 A 90 90 VAL C C 90 176.018 175.543 0.475 1
1 1016 . 5 1 1 A 91 91 THR N N 91 118.099 117.417 0.682 1
1 1017 . 5 1 1 A 91 91 THR H H 91 8.491 8.426 0.065 1
1 1018 . 5 1 1 A 91 91 THR CA C 91 65.519 65.164 0.355 1
1 1019 . 5 1 1 A 91 91 THR HA H 91 3.924 3.872 0.052 1
1 1020 . 5 1 1 A 91 91 THR CB C 91 68.972 68.414 0.558 1
1 1026 . 5 1 1 A 91 91 THR C C 91 174.771 176.062 -1.291 1
1 1027 . 5 1 1 A 92 92 GLY N N 92 116.032 114.844 1.188 1
1 1028 . 5 1 1 A 92 92 GLY H H 92 8.563 8.872 -0.309 1
1 1029 . 5 1 1 A 92 92 GLY CA C 92 44.842 46.037 -1.195 1
1 1030 . 5 1 1 A 92 92 GLY HA3 H 92 4.213 3.774 0.439 1
1 1031 . 5 1 1 A 92 92 GLY C C 92 172.199 172.906 -0.707 1
1 1032 . 5 1 1 A 92 92 GLY HA2 H 92 3.361 3.743 -0.382 1
1 1033 . 5 1 1 A 93 93 SER N N 93 113.106 114.537 -1.431 1
1 1034 . 5 1 1 A 93 93 SER H H 93 7.806 6.981 0.825 1
1 1035 . 5 1 1 A 93 93 SER CA C 93 54.600 54.617 -0.017 1
1 1036 . 5 1 1 A 93 93 SER HA H 93 4.159 4.382 -0.223 1
1 1037 . 5 1 1 A 93 93 SER CB C 93 62.787 65.747 -2.960 1
1 1039 . 5 1 1 A 93 93 SER C C 93 174.123 172.013 2.110 1
1 1041 . 5 1 1 A 94 94 PRO CA C 94 62.619 62.303 0.316 1
1 1042 . 5 1 1 A 94 94 PRO HA H 94 5.537 4.605 0.932 1
1 1043 . 5 1 1 A 94 94 PRO CB C 94 34.521 32.305 2.216 1
1 1049 . 5 1 1 A 94 94 PRO C C 94 176.046 175.793 0.253 1
1 1053 . 5 1 1 A 95 95 PHE N N 95 120.547 120.301 0.246 1
1 1054 . 5 1 1 A 95 95 PHE H H 95 9.127 8.851 0.276 1
1 1055 . 5 1 1 A 95 95 PHE CA C 95 56.700 57.756 -1.056 1
1 1056 . 5 1 1 A 95 95 PHE HA H 95 4.844 5.029 -0.185 1
1 1057 . 5 1 1 A 95 95 PHE CB C 95 41.285 41.061 0.224 1
1 1069 . 5 1 1 A 95 95 PHE C C 95 175.219 175.811 -0.592 1
1 1071 . 5 1 1 A 96 96 GLN N N 96 120.382 120.818 -0.436 1
1 1072 . 5 1 1 A 96 96 GLN H H 96 8.896 8.757 0.139 1
1 1073 . 5 1 1 A 96 96 GLN CA C 96 55.028 54.564 0.464 1
1 1074 . 5 1 1 A 96 96 GLN HA H 96 5.440 5.343 0.097 1
1 1075 . 5 1 1 A 96 96 GLN CB C 96 31.867 32.111 -0.244 1
1 1082 . 5 1 1 A 96 96 GLN C C 96 175.480 174.882 0.598 1
1 1085 . 5 1 1 A 97 97 PHE N N 97 121.331 119.515 1.816 1
1 1086 . 5 1 1 A 97 97 PHE H H 97 8.822 8.497 0.325 1
1 1087 . 5 1 1 A 97 97 PHE CA C 97 56.931 56.104 0.827 1
1 1088 . 5 1 1 A 97 97 PHE HA H 97 4.960 5.286 -0.326 1
1 1089 . 5 1 1 A 97 97 PHE CB C 97 42.133 42.147 -0.014 1
1 1101 . 5 1 1 A 97 97 PHE C C 97 173.780 172.265 1.515 1
1 1103 . 5 1 1 A 98 98 THR N N 98 121.160 116.501 4.659 1
1 1104 . 5 1 1 A 98 98 THR H H 98 8.907 8.869 0.038 1
1 1105 . 5 1 1 A 98 98 THR CA C 98 63.381 61.716 1.665 1
1 1106 . 5 1 1 A 98 98 THR HA H 98 4.487 4.783 -0.296 1
1 1107 . 5 1 1 A 98 98 THR CB C 98 69.599 70.047 -0.448 1
1 1113 . 5 1 1 A 98 98 THR C C 98 173.058 174.269 -1.211 1
1 1114 . 5 1 1 A 99 99 VAL N N 99 128.111 127.251 0.860 1
1 1115 . 5 1 1 A 99 99 VAL H H 99 8.240 8.758 -0.518 1
1 1116 . 5 1 1 A 99 99 VAL CA C 99 61.670 60.980 0.690 1
1 1117 . 5 1 1 A 99 99 VAL HA H 99 4.271 4.860 -0.589 1
1 1118 . 5 1 1 A 99 99 VAL CB C 99 32.962 33.081 -0.119 1
1 1128 . 5 1 1 A 99 99 VAL C C 99 176.689 175.431 1.258 1
1 1129 . 5 1 1 A 100 100 GLY N N 100 118.412 112.206 6.206 1
1 1130 . 5 1 1 A 100 100 GLY H H 100 8.946 8.127 0.819 1
1 1131 . 5 1 1 A 100 100 GLY CA C 100 44.504 44.062 0.442 1
1 1132 . 5 1 1 A 100 100 GLY HA3 H 100 4.506 4.238 0.268 1
1 1133 . 5 1 1 A 100 100 GLY C C 100 170.474 173.102 -2.628 1
1 1134 . 5 1 1 A 100 100 GLY HA2 H 100 4.136 4.235 -0.099 1
1 1135 . 5 1 1 A 101 101 PRO CA C 101 62.588 62.776 -0.188 1
1 1136 . 5 1 1 A 101 101 PRO HA H 101 4.525 4.598 -0.073 1
1 1137 . 5 1 1 A 101 101 PRO CB C 101 32.641 32.365 0.276 1
1 1143 . 5 1 1 A 101 101 PRO C C 101 176.696 175.972 0.724 1
1 1147 . 5 1 1 A 102 102 LEU N N 102 121.326 122.435 -1.109 1
1 1148 . 5 1 1 A 102 102 LEU H H 102 8.374 8.257 0.117 1
1 1149 . 5 1 1 A 102 102 LEU CA C 102 55.855 54.565 1.290 1
1 1150 . 5 1 1 A 102 102 LEU HA H 102 4.221 4.810 -0.589 1
1 1151 . 5 1 1 A 102 102 LEU CB C 102 42.652 43.374 -0.722 1
1 1163 . 5 1 1 A 102 102 LEU C C 102 178.005 175.805 2.200 1
1 1165 . 5 1 1 A 103 103 GLY N N 103 110.870 112.772 -1.902 1
1 1166 . 5 1 1 A 103 103 GLY H H 103 8.481 8.515 -0.034 1
1 1167 . 5 1 1 A 103 103 GLY CA C 103 45.208 45.483 -0.275 1
1 1168 . 5 1 1 A 103 103 GLY HA3 H 103 3.927 4.259 -0.332 1
1 1169 . 5 1 1 A 103 103 GLY C C 103 174.126 172.368 1.758 1
1 1170 . 5 1 1 A 103 103 GLY HA2 H 103 3.991 4.259 -0.268 1
1 1171 . 5 1 1 A 104 104 GLU N N 104 120.771 122.281 -1.510 1
1 1172 . 5 1 1 A 104 104 GLU H H 104 8.308 8.656 -0.348 1
1 1173 . 5 1 1 A 104 104 GLU CA C 104 56.713 57.778 -1.065 1
1 1174 . 5 1 1 A 104 104 GLU HA H 104 4.318 4.136 0.182 1
1 1175 . 5 1 1 A 104 104 GLU CB C 104 30.470 30.212 0.258 1
1 1179 . 5 1 1 A 104 104 GLU C C 104 177.052 176.839 0.213 1
1 1182 . 5 1 1 A 105 105 GLY N N 105 110.589 113.665 -3.076 1
1 1183 . 5 1 1 A 105 105 GLY H H 105 8.546 8.751 -0.205 1
1 1184 . 5 1 1 A 105 105 GLY CA C 105 45.256 46.821 -1.565 1
1 1185 . 5 1 1 A 105 105 GLY HA3 H 105 3.925 3.851 0.074 1
1 1186 . 5 1 1 A 105 105 GLY C C 105 173.795 174.732 -0.937 1
1 1187 . 5 1 1 A 105 105 GLY HA2 H 105 3.992 3.850 0.142 1
1 1 . 6 1 1 A 7 7 GLY CA C 7 45.415 44.907 0.508 1
1 2 . 6 1 1 A 7 7 GLY HA3 H 7 3.972 3.987 -0.015 1
1 3 . 6 1 1 A 7 7 GLY C C 7 174.102 173.736 0.366 1
1 4 . 6 1 1 A 7 7 GLY HA2 H 7 3.972 3.987 -0.015 1
1 5 . 6 1 1 A 8 8 ARG N N 8 120.724 121.968 -1.244 1
1 6 . 6 1 1 A 8 8 ARG H H 8 8.124 8.393 -0.269 1
1 7 . 6 1 1 A 8 8 ARG CA C 8 56.123 54.855 1.268 1
1 8 . 6 1 1 A 8 8 ARG HA H 8 4.363 4.416 -0.053 1
1 9 . 6 1 1 A 8 8 ARG CB C 8 30.881 28.912 1.969 1
1 15 . 6 1 1 A 8 8 ARG C C 8 176.487 175.944 0.543 1
1 19 . 6 1 1 A 9 9 VAL N N 9 121.839 125.011 -3.172 1
1 20 . 6 1 1 A 9 9 VAL H H 9 8.204 8.052 0.152 1
1 21 . 6 1 1 A 9 9 VAL CA C 9 62.438 63.209 -0.771 1
1 22 . 6 1 1 A 9 9 VAL HA H 9 4.081 3.724 0.357 1
1 23 . 6 1 1 A 9 9 VAL CB C 9 32.773 30.098 2.675 1
1 33 . 6 1 1 A 9 9 VAL C C 9 176.204 176.152 0.052 1
1 34 . 6 1 1 A 10 10 LYS N N 10 125.552 122.186 3.366 1
1 35 . 6 1 1 A 10 10 LYS H H 10 8.437 7.705 0.732 1
1 36 . 6 1 1 A 10 10 LYS CA C 10 56.575 54.957 1.618 1
1 37 . 6 1 1 A 10 10 LYS HA H 10 4.280 4.535 -0.255 1
1 38 . 6 1 1 A 10 10 LYS CB C 10 33.046 33.010 0.036 1
1 46 . 6 1 1 A 10 10 LYS C C 10 176.486 174.767 1.719 1
1 51 . 6 1 1 A 11 11 GLU N N 11 122.741 123.570 -0.829 1
1 52 . 6 1 1 A 11 11 GLU H H 11 8.490 7.776 0.714 1
1 53 . 6 1 1 A 11 11 GLU CA C 11 56.717 54.691 2.026 1
1 54 . 6 1 1 A 11 11 GLU HA H 11 4.303 4.939 -0.636 1
1 55 . 6 1 1 A 11 11 GLU CB C 11 30.422 31.382 -0.960 1
1 59 . 6 1 1 A 11 11 GLU C C 11 176.428 175.908 0.520 1
1 62 . 6 1 1 A 12 12 SER N N 12 117.227 116.089 1.138 1
1 63 . 6 1 1 A 12 12 SER H H 12 8.434 8.610 -0.176 1
1 64 . 6 1 1 A 12 12 SER CA C 12 58.340 57.558 0.782 1
1 65 . 6 1 1 A 12 12 SER HA H 12 4.477 5.004 -0.527 1
1 66 . 6 1 1 A 12 12 SER CB C 12 63.670 66.603 -2.933 1
1 68 . 6 1 1 A 12 12 SER C C 12 174.574 172.952 1.622 1
1 70 . 6 1 1 A 13 13 ILE N N 13 122.704 124.366 -1.662 1
1 71 . 6 1 1 A 13 13 ILE H H 13 8.189 8.970 -0.781 1
1 72 . 6 1 1 A 13 13 ILE CA C 13 61.364 60.646 0.718 1
1 73 . 6 1 1 A 13 13 ILE HA H 13 4.270 4.633 -0.363 1
1 74 . 6 1 1 A 13 13 ILE CB C 13 38.870 39.069 -0.199 1
1 86 . 6 1 1 A 13 13 ILE C C 13 176.445 174.720 1.725 1
1 88 . 6 1 1 A 14 14 THR N N 14 118.671 117.125 1.546 1
1 89 . 6 1 1 A 14 14 THR H H 14 8.265 8.388 -0.123 1
1 90 . 6 1 1 A 14 14 THR CA C 14 62.080 60.588 1.492 1
1 91 . 6 1 1 A 14 14 THR HA H 14 4.338 5.044 -0.706 1
1 92 . 6 1 1 A 14 14 THR CB C 14 69.779 71.124 -1.345 1
1 98 . 6 1 1 A 14 14 THR C C 14 174.465 173.808 0.657 1
1 99 . 6 1 1 A 15 15 ARG N N 15 124.132 124.261 -0.129 1
1 100 . 6 1 1 A 15 15 ARG H H 15 8.428 8.760 -0.332 1
1 101 . 6 1 1 A 15 15 ARG CA C 15 56.221 57.728 -1.507 1
1 102 . 6 1 1 A 15 15 ARG HA H 15 4.447 4.463 -0.016 1
1 103 . 6 1 1 A 15 15 ARG CB C 15 30.949 31.173 -0.224 1
1 109 . 6 1 1 A 15 15 ARG C C 15 176.374 176.303 0.071 1
1 113 . 6 1 1 A 16 16 THR N N 16 115.339 110.663 4.676 1
1 114 . 6 1 1 A 16 16 THR H H 16 8.232 7.951 0.281 1
1 115 . 6 1 1 A 16 16 THR CA C 16 61.828 62.807 -0.979 1
1 116 . 6 1 1 A 16 16 THR HA H 16 4.389 3.850 0.539 1
1 117 . 6 1 1 A 16 16 THR CB C 16 69.896 66.545 3.351 1
1 123 . 6 1 1 A 16 16 THR C C 16 174.518 172.751 1.767 1
1 124 . 6 1 1 A 17 17 SER N N 17 118.278 115.279 2.999 1
1 125 . 6 1 1 A 17 17 SER H H 17 8.331 7.755 0.576 1
1 126 . 6 1 1 A 17 17 SER CA C 17 58.326 56.715 1.611 1
1 127 . 6 1 1 A 17 17 SER HA H 17 4.500 4.947 -0.447 1
1 128 . 6 1 1 A 17 17 SER CB C 17 63.918 64.791 -0.873 1
1 130 . 6 1 1 A 17 17 SER C C 17 174.172 172.977 1.195 1
1 132 . 6 1 1 A 18 18 ARG N N 18 122.935 127.763 -4.828 1
1 133 . 6 1 1 A 18 18 ARG H H 18 8.376 8.817 -0.441 1
1 134 . 6 1 1 A 18 18 ARG CA C 18 55.772 55.153 0.619 1
1 135 . 6 1 1 A 18 18 ARG HA H 18 4.386 4.540 -0.154 1
1 136 . 6 1 1 A 18 18 ARG CB C 18 31.073 29.429 1.644 1
1 142 . 6 1 1 A 18 18 ARG C C 18 175.493 174.980 0.513 1
1 146 . 6 1 1 A 19 19 ALA N N 19 126.804 127.533 -0.729 1
1 147 . 6 1 1 A 19 19 ALA H H 19 8.357 8.150 0.207 1
1 148 . 6 1 1 A 19 19 ALA CA C 19 50.553 50.042 0.511 1
1 149 . 6 1 1 A 19 19 ALA HA H 19 4.585 4.883 -0.298 1
1 150 . 6 1 1 A 19 19 ALA CB C 19 18.208 20.064 -1.856 1
1 154 . 6 1 1 A 19 19 ALA C C 19 175.408 175.859 -0.451 1
1 155 . 6 1 1 A 20 20 PRO CA C 20 63.352 62.601 0.751 1
1 156 . 6 1 1 A 20 20 PRO HA H 20 4.455 4.746 -0.291 1
1 157 . 6 1 1 A 20 20 PRO CB C 20 32.196 33.035 -0.839 1
1 163 . 6 1 1 A 20 20 PRO C C 20 176.846 176.228 0.618 1
1 167 . 6 1 1 A 21 21 SER N N 21 116.414 115.070 1.344 1
1 168 . 6 1 1 A 21 21 SER H H 21 8.449 8.475 -0.026 1
1 169 . 6 1 1 A 21 21 SER CA C 21 58.507 56.835 1.672 1
1 170 . 6 1 1 A 21 21 SER HA H 21 4.475 5.100 -0.625 1
1 171 . 6 1 1 A 21 21 SER CB C 21 63.851 65.746 -1.895 1
1 173 . 6 1 1 A 21 21 SER C C 21 174.344 172.631 1.713 1
1 175 . 6 1 1 A 22 22 VAL N N 22 120.580 125.264 -4.684 1
1 176 . 6 1 1 A 22 22 VAL H H 22 8.110 8.440 -0.330 1
1 177 . 6 1 1 A 22 22 VAL CA C 22 61.788 62.855 -1.067 1
1 178 . 6 1 1 A 22 22 VAL HA H 22 4.293 4.254 0.039 1
1 179 . 6 1 1 A 22 22 VAL CB C 22 33.445 32.079 1.366 1
1 189 . 6 1 1 A 22 22 VAL C C 22 175.160 174.079 1.081 1
1 190 . 6 1 1 A 23 23 ALA N N 23 127.788 131.708 -3.920 1
1 191 . 6 1 1 A 23 23 ALA H H 23 8.428 8.846 -0.418 1
1 192 . 6 1 1 A 23 23 ALA CA C 23 51.790 50.071 1.719 1
1 193 . 6 1 1 A 23 23 ALA HA H 23 4.594 5.197 -0.603 1
1 194 . 6 1 1 A 23 23 ALA CB C 23 21.050 20.773 0.277 1
1 198 . 6 1 1 A 23 23 ALA C C 23 176.198 176.545 -0.347 1
1 199 . 6 1 1 A 24 24 THR N N 24 115.139 116.760 -1.621 1
1 200 . 6 1 1 A 24 24 THR H H 24 8.338 8.651 -0.313 1
1 201 . 6 1 1 A 24 24 THR CA C 24 60.519 61.306 -0.787 1
1 202 . 6 1 1 A 24 24 THR HA H 24 4.674 4.874 -0.200 1
1 203 . 6 1 1 A 24 24 THR CB C 24 72.048 71.361 0.687 1
1 209 . 6 1 1 A 24 24 THR C C 24 173.979 172.550 1.429 1
1 210 . 6 1 1 A 25 25 VAL N N 25 122.772 121.925 0.847 1
1 211 . 6 1 1 A 25 25 VAL H H 25 8.002 8.784 -0.782 1
1 212 . 6 1 1 A 25 25 VAL CA C 25 64.582 59.946 4.636 1
1 213 . 6 1 1 A 25 25 VAL HA H 25 3.280 4.653 -1.373 1
1 214 . 6 1 1 A 25 25 VAL CB C 25 32.102 34.148 -2.046 1
1 224 . 6 1 1 A 25 25 VAL C C 25 176.709 175.925 0.784 1
1 225 . 6 1 1 A 26 26 GLY N N 26 112.345 116.080 -3.735 1
1 226 . 6 1 1 A 26 26 GLY H H 26 8.344 8.801 -0.457 1
1 227 . 6 1 1 A 26 26 GLY CA C 26 45.534 46.507 -0.973 1
1 228 . 6 1 1 A 26 26 GLY HA3 H 26 4.166 3.931 0.235 1
1 229 . 6 1 1 A 26 26 GLY C C 26 173.701 173.308 0.393 1
1 230 . 6 1 1 A 26 26 GLY HA2 H 26 3.519 3.924 -0.405 1
1 231 . 6 1 1 A 27 27 SER N N 27 116.474 113.569 2.905 1
1 232 . 6 1 1 A 27 27 SER H H 27 7.738 7.619 0.119 1
1 233 . 6 1 1 A 27 27 SER CA C 27 57.264 57.002 0.262 1
1 234 . 6 1 1 A 27 27 SER HA H 27 4.692 4.648 0.044 1
1 235 . 6 1 1 A 27 27 SER CB C 27 65.270 64.410 0.860 1
1 237 . 6 1 1 A 27 27 SER C C 27 172.491 172.890 -0.399 1
1 239 . 6 1 1 A 28 28 ILE N N 28 122.052 123.315 -1.263 1
1 240 . 6 1 1 A 28 28 ILE H H 28 8.350 8.729 -0.379 1
1 241 . 6 1 1 A 28 28 ILE CA C 28 62.995 61.223 1.772 1
1 242 . 6 1 1 A 28 28 ILE HA H 28 3.693 4.326 -0.633 1
1 243 . 6 1 1 A 28 28 ILE CB C 28 38.221 36.941 1.280 1
1 255 . 6 1 1 A 28 28 ILE C C 28 175.624 174.685 0.939 1
1 257 . 6 1 1 A 29 29 CYS N N 29 129.493 127.494 1.999 1
1 258 . 6 1 1 A 29 29 CYS H H 29 8.730 8.647 0.083 1
1 259 . 6 1 1 A 29 29 CYS CA C 29 58.201 57.491 0.710 1
1 260 . 6 1 1 A 29 29 CYS HA H 29 4.451 4.837 -0.386 1
1 261 . 6 1 1 A 29 29 CYS CB C 29 28.560 28.953 -0.393 1
1 263 . 6 1 1 A 29 29 CYS C C 29 171.207 173.271 -2.064 1
1 265 . 6 1 1 A 30 30 ASP N N 30 123.789 125.526 -1.737 1
1 266 . 6 1 1 A 30 30 ASP H H 30 8.000 8.801 -0.801 1
1 267 . 6 1 1 A 30 30 ASP CA C 30 52.692 52.850 -0.158 1
1 268 . 6 1 1 A 30 30 ASP HA H 30 5.315 5.286 0.029 1
1 269 . 6 1 1 A 30 30 ASP CB C 30 43.397 41.896 1.501 1
1 271 . 6 1 1 A 30 30 ASP C C 30 175.569 174.913 0.656 1
1 273 . 6 1 1 A 31 31 LEU N N 31 125.116 126.104 -0.988 1
1 274 . 6 1 1 A 31 31 LEU H H 31 9.147 8.911 0.236 1
1 275 . 6 1 1 A 31 31 LEU CA C 31 53.606 53.483 0.123 1
1 276 . 6 1 1 A 31 31 LEU HA H 31 4.515 4.939 -0.424 1
1 277 . 6 1 1 A 31 31 LEU CB C 31 43.262 43.995 -0.733 1
1 289 . 6 1 1 A 31 31 LEU C C 31 174.935 174.951 -0.016 1
1 291 . 6 1 1 A 32 32 ASN N N 32 124.687 125.574 -0.887 1
1 292 . 6 1 1 A 32 32 ASN H H 32 8.690 8.717 -0.027 1
1 293 . 6 1 1 A 32 32 ASN CA C 32 53.696 53.322 0.374 1
1 294 . 6 1 1 A 32 32 ASN HA H 32 5.077 4.944 0.133 1
1 295 . 6 1 1 A 32 32 ASN CB C 32 39.842 39.040 0.802 1
1 300 . 6 1 1 A 32 32 ASN C C 32 174.322 174.972 -0.650 1
1 302 . 6 1 1 A 33 33 LEU N N 33 123.838 124.472 -0.634 1
1 303 . 6 1 1 A 33 33 LEU H H 33 8.912 8.383 0.529 1
1 304 . 6 1 1 A 33 33 LEU CA C 33 53.820 53.477 0.343 1
1 305 . 6 1 1 A 33 33 LEU HA H 33 4.638 4.938 -0.300 1
1 306 . 6 1 1 A 33 33 LEU CB C 33 45.587 45.743 -0.156 1
1 318 . 6 1 1 A 33 33 LEU C C 33 175.719 175.953 -0.234 1
1 320 . 6 1 1 A 34 34 LYS N N 34 124.925 125.319 -0.394 1
1 321 . 6 1 1 A 34 34 LYS H H 34 8.718 8.626 0.092 1
1 322 . 6 1 1 A 34 34 LYS CA C 34 55.079 56.050 -0.971 1
1 323 . 6 1 1 A 34 34 LYS HA H 34 5.036 4.521 0.515 1
1 324 . 6 1 1 A 34 34 LYS CB C 34 32.121 32.232 -0.111 1
1 332 . 6 1 1 A 34 34 LYS C C 34 176.081 174.807 1.274 1
1 337 . 6 1 1 A 35 35 ILE N N 35 123.769 127.516 -3.747 1
1 338 . 6 1 1 A 35 35 ILE H H 35 7.935 7.887 0.048 1
1 339 . 6 1 1 A 35 35 ILE CA C 35 58.161 57.282 0.879 1
1 340 . 6 1 1 A 35 35 ILE HA H 35 4.612 4.576 0.036 1
1 341 . 6 1 1 A 35 35 ILE CB C 35 40.616 41.000 -0.384 1
1 353 . 6 1 1 A 35 35 ILE C C 35 173.405 174.447 -1.042 1
1 355 . 6 1 1 A 36 36 PRO CA C 36 63.143 62.282 0.861 1
1 356 . 6 1 1 A 36 36 PRO HA H 36 4.435 4.608 -0.173 1
1 357 . 6 1 1 A 36 36 PRO CB C 36 32.806 33.306 -0.500 1
1 363 . 6 1 1 A 36 36 PRO C C 36 176.844 176.817 0.027 1
1 367 . 6 1 1 A 37 37 GLU N N 37 114.188 119.528 -5.340 1
1 368 . 6 1 1 A 37 37 GLU H H 37 8.358 8.726 -0.368 1
1 369 . 6 1 1 A 37 37 GLU CA C 37 59.038 59.337 -0.299 1
1 370 . 6 1 1 A 37 37 GLU HA H 37 3.916 4.002 -0.086 1
1 371 . 6 1 1 A 37 37 GLU CB C 37 28.206 29.308 -1.102 1
1 375 . 6 1 1 A 37 37 GLU C C 37 175.996 177.542 -1.546 1
1 378 . 6 1 1 A 38 38 ILE N N 38 118.733 123.406 -4.673 1
1 379 . 6 1 1 A 38 38 ILE H H 38 7.679 7.384 0.295 1
1 380 . 6 1 1 A 38 38 ILE CA C 38 60.711 62.238 -1.527 1
1 381 . 6 1 1 A 38 38 ILE HA H 38 4.029 3.884 0.145 1
1 382 . 6 1 1 A 38 38 ILE CB C 38 40.278 37.660 2.618 1
1 394 . 6 1 1 A 38 38 ILE C C 38 175.255 176.034 -0.779 1
1 396 . 6 1 1 A 39 39 ASN H H 39 8.593 8.666 -0.073 1
1 397 . 6 1 1 A 39 39 ASN CA C 39 52.929 53.911 -0.982 1
1 398 . 6 1 1 A 39 39 ASN HA H 39 4.921 4.795 0.126 1
1 399 . 6 1 1 A 39 39 ASN CB C 39 39.419 39.686 -0.267 1
1 404 . 6 1 1 A 39 39 ASN C C 39 176.891 176.573 0.318 1
1 406 . 6 1 1 A 40 40 SER N N 40 120.676 117.675 3.001 1
1 407 . 6 1 1 A 40 40 SER H H 40 8.995 9.008 -0.013 1
1 408 . 6 1 1 A 40 40 SER CA C 40 62.318 61.027 1.291 1
1 409 . 6 1 1 A 40 40 SER HA H 40 4.058 4.145 -0.087 1
1 410 . 6 1 1 A 40 40 SER CB C 40 63.297 62.992 0.305 1
1 412 . 6 1 1 A 40 40 SER C C 40 176.866 176.633 0.233 1
1 414 . 6 1 1 A 41 41 SER N N 41 112.249 117.106 -4.857 1
1 415 . 6 1 1 A 41 41 SER H H 41 8.253 8.228 0.025 1
1 416 . 6 1 1 A 41 41 SER CA C 41 60.133 60.939 -0.806 1
1 417 . 6 1 1 A 41 41 SER HA H 41 4.348 4.310 0.038 1
1 418 . 6 1 1 A 41 41 SER CB C 41 62.986 62.627 0.359 1
1 420 . 6 1 1 A 41 41 SER C C 41 174.885 174.953 -0.068 1
1 422 . 6 1 1 A 42 42 ASP N N 42 119.471 119.114 0.357 1
1 423 . 6 1 1 A 42 42 ASP H H 42 7.835 8.024 -0.189 1
1 424 . 6 1 1 A 42 42 ASP CA C 42 54.713 54.199 0.514 1
1 425 . 6 1 1 A 42 42 ASP HA H 42 4.933 4.770 0.163 1
1 426 . 6 1 1 A 42 42 ASP CB C 42 42.479 42.234 0.245 1
1 428 . 6 1 1 A 42 42 ASP C C 42 175.586 175.987 -0.401 1
1 430 . 6 1 1 A 43 43 MET N N 43 119.155 118.791 0.364 1
1 431 . 6 1 1 A 43 43 MET H H 43 7.549 7.917 -0.368 1
1 432 . 6 1 1 A 43 43 MET CA C 43 54.927 54.155 0.772 1
1 433 . 6 1 1 A 43 43 MET HA H 43 5.359 5.073 0.286 1
1 434 . 6 1 1 A 43 43 MET CB C 43 37.158 35.306 1.852 1
1 442 . 6 1 1 A 43 43 MET C C 43 174.894 174.623 0.271 1
1 445 . 6 1 1 A 44 44 SER N N 44 114.070 112.894 1.176 1
1 446 . 6 1 1 A 44 44 SER H H 44 8.739 8.461 0.278 1
1 447 . 6 1 1 A 44 44 SER CA C 44 56.937 57.260 -0.323 1
1 448 . 6 1 1 A 44 44 SER HA H 44 4.700 5.362 -0.662 1
1 449 . 6 1 1 A 44 44 SER CB C 44 66.247 66.395 -0.148 1
1 451 . 6 1 1 A 44 44 SER C C 44 172.764 173.345 -0.581 1
1 453 . 6 1 1 A 45 45 ALA N N 45 126.192 125.656 0.536 1
1 454 . 6 1 1 A 45 45 ALA H H 45 9.123 8.870 0.253 1
1 455 . 6 1 1 A 45 45 ALA CA C 45 50.378 50.436 -0.058 1
1 456 . 6 1 1 A 45 45 ALA HA H 45 5.741 5.263 0.478 1
1 457 . 6 1 1 A 45 45 ALA CB C 45 23.330 21.741 1.589 1
1 461 . 6 1 1 A 45 45 ALA C C 45 175.089 175.596 -0.507 1
1 462 . 6 1 1 A 46 46 HIS N N 46 119.075 118.536 0.539 1
1 463 . 6 1 1 A 46 46 HIS H H 46 8.701 8.676 0.025 1
1 464 . 6 1 1 A 46 46 HIS CA C 46 55.999 54.773 1.226 1
1 465 . 6 1 1 A 46 46 HIS HA H 46 5.157 4.913 0.244 1
1 466 . 6 1 1 A 46 46 HIS CB C 46 34.239 33.866 0.373 1
1 472 . 6 1 1 A 46 46 HIS C C 46 174.155 173.887 0.268 1
1 474 . 6 1 1 A 47 47 VAL N N 47 125.059 122.903 2.156 1
1 475 . 6 1 1 A 47 47 VAL H H 47 9.488 8.972 0.516 1
1 476 . 6 1 1 A 47 47 VAL CA C 47 60.604 61.441 -0.837 1
1 477 . 6 1 1 A 47 47 VAL HA H 47 4.730 4.476 0.254 1
1 478 . 6 1 1 A 47 47 VAL CB C 47 33.769 33.036 0.733 1
1 488 . 6 1 1 A 47 47 VAL C C 47 175.126 175.287 -0.161 1
1 489 . 6 1 1 A 48 48 THR N N 48 124.473 123.027 1.446 1
1 490 . 6 1 1 A 48 48 THR H H 48 9.432 8.819 0.613 1
1 491 . 6 1 1 A 48 48 THR CA C 48 61.766 62.153 -0.387 1
1 492 . 6 1 1 A 48 48 THR HA H 48 5.164 4.630 0.534 1
1 493 . 6 1 1 A 48 48 THR CB C 48 69.384 70.201 -0.817 1
1 499 . 6 1 1 A 48 48 THR C C 48 174.573 174.366 0.207 1
1 500 . 6 1 1 A 49 49 SER N N 49 125.657 118.339 7.318 1
1 501 . 6 1 1 A 49 49 SER H H 49 9.043 9.099 -0.056 1
1 502 . 6 1 1 A 49 49 SER CA C 49 56.638 55.260 1.378 1
1 503 . 6 1 1 A 49 49 SER HA H 49 4.225 4.925 -0.700 1
1 504 . 6 1 1 A 49 49 SER CB C 49 62.948 64.533 -1.585 1
1 506 . 6 1 1 A 49 49 SER C C 49 174.034 174.671 -0.637 1
1 508 . 6 1 1 A 50 50 PRO CA C 50 65.784 64.086 1.698 1
1 509 . 6 1 1 A 50 50 PRO HA H 50 4.260 4.459 -0.199 1
1 510 . 6 1 1 A 50 50 PRO CB C 50 31.493 31.550 -0.057 1
1 516 . 6 1 1 A 50 50 PRO C C 50 177.687 176.950 0.737 1
1 520 . 6 1 1 A 51 51 SER N N 51 110.322 111.198 -0.876 1
1 521 . 6 1 1 A 51 51 SER H H 51 8.349 7.697 0.652 1
1 522 . 6 1 1 A 51 51 SER CA C 51 59.076 58.188 0.888 1
1 523 . 6 1 1 A 51 51 SER HA H 51 4.332 4.585 -0.253 1
1 524 . 6 1 1 A 51 51 SER CB C 51 62.825 65.499 -2.674 1
1 526 . 6 1 1 A 51 51 SER C C 51 175.363 175.018 0.345 1
1 528 . 6 1 1 A 52 52 GLY N N 52 111.132 110.094 1.038 1
1 529 . 6 1 1 A 52 52 GLY H H 52 8.289 7.673 0.616 1
1 530 . 6 1 1 A 52 52 GLY CA C 52 44.831 45.217 -0.386 1
1 531 . 6 1 1 A 52 52 GLY HA3 H 52 4.302 4.036 0.266 1
1 532 . 6 1 1 A 52 52 GLY C C 52 174.002 174.593 -0.591 1
1 533 . 6 1 1 A 52 52 GLY HA2 H 52 3.421 4.035 -0.614 1
1 534 . 6 1 1 A 53 53 ARG N N 53 121.515 120.844 0.671 1
1 535 . 6 1 1 A 53 53 ARG H H 53 7.322 7.639 -0.317 1
1 536 . 6 1 1 A 53 53 ARG CA C 53 56.749 56.877 -0.128 1
1 537 . 6 1 1 A 53 53 ARG HA H 53 4.222 4.287 -0.065 1
1 538 . 6 1 1 A 53 53 ARG CB C 53 30.430 31.545 -1.115 1
1 544 . 6 1 1 A 53 53 ARG C C 53 176.023 174.839 1.184 1
1 548 . 6 1 1 A 54 54 VAL N N 54 128.383 122.785 5.598 1
1 549 . 6 1 1 A 54 54 VAL H H 54 8.780 8.568 0.212 1
1 550 . 6 1 1 A 54 54 VAL CA C 54 61.533 61.178 0.355 1
1 551 . 6 1 1 A 54 54 VAL HA H 54 5.243 4.898 0.345 1
1 552 . 6 1 1 A 54 54 VAL CB C 54 33.205 35.459 -2.254 1
1 562 . 6 1 1 A 54 54 VAL C C 54 176.783 174.781 2.002 1
1 563 . 6 1 1 A 55 55 THR N N 55 121.757 122.689 -0.932 1
1 564 . 6 1 1 A 55 55 THR H H 55 9.188 9.421 -0.233 1
1 565 . 6 1 1 A 55 55 THR CA C 55 60.216 60.522 -0.306 1
1 566 . 6 1 1 A 55 55 THR HA H 55 4.751 4.973 -0.222 1
1 567 . 6 1 1 A 55 55 THR CB C 55 71.896 72.898 -1.002 1
1 573 . 6 1 1 A 55 55 THR C C 55 173.454 173.068 0.386 1
1 574 . 6 1 1 A 56 56 GLU N N 56 125.373 122.768 2.605 1
1 575 . 6 1 1 A 56 56 GLU H H 56 8.927 8.883 0.044 1
1 576 . 6 1 1 A 56 56 GLU CA C 56 57.019 54.385 2.634 1
1 577 . 6 1 1 A 56 56 GLU HA H 56 4.365 5.113 -0.748 1
1 578 . 6 1 1 A 56 56 GLU CB C 56 30.230 33.328 -3.098 1
1 582 . 6 1 1 A 56 56 GLU C C 56 175.556 174.593 0.963 1
1 585 . 6 1 1 A 57 57 ALA N N 57 128.204 124.998 3.206 1
1 586 . 6 1 1 A 57 57 ALA H H 57 8.201 8.269 -0.068 1
1 587 . 6 1 1 A 57 57 ALA CA C 57 50.068 50.165 -0.097 1
1 588 . 6 1 1 A 57 57 ALA HA H 57 4.827 5.293 -0.466 1
1 589 . 6 1 1 A 57 57 ALA CB C 57 21.531 23.691 -2.160 1
1 593 . 6 1 1 A 57 57 ALA C C 57 175.178 174.727 0.451 1
1 594 . 6 1 1 A 58 58 GLU N N 58 120.950 120.596 0.354 1
1 595 . 6 1 1 A 58 58 GLU H H 58 8.202 8.929 -0.727 1
1 596 . 6 1 1 A 58 58 GLU CA C 58 55.505 54.678 0.827 1
1 597 . 6 1 1 A 58 58 GLU HA H 58 4.509 5.034 -0.525 1
1 598 . 6 1 1 A 58 58 GLU CB C 58 32.301 33.310 -1.009 1
1 602 . 6 1 1 A 58 58 GLU C C 58 175.025 174.766 0.259 1
1 605 . 6 1 1 A 59 59 ILE N N 59 122.574 126.486 -3.912 1
1 606 . 6 1 1 A 59 59 ILE H H 59 8.578 8.701 -0.123 1
1 607 . 6 1 1 A 59 59 ILE CA C 59 60.355 59.929 0.426 1
1 608 . 6 1 1 A 59 59 ILE HA H 59 4.954 5.038 -0.084 1
1 609 . 6 1 1 A 59 59 ILE CB C 59 38.374 40.333 -1.959 1
1 621 . 6 1 1 A 59 59 ILE C C 59 175.709 175.087 0.622 1
1 623 . 6 1 1 A 60 60 VAL N N 60 129.074 126.796 2.278 1
1 624 . 6 1 1 A 60 60 VAL H H 60 9.543 9.355 0.188 1
1 625 . 6 1 1 A 60 60 VAL CA C 60 58.472 58.627 -0.155 1
1 626 . 6 1 1 A 60 60 VAL HA H 60 4.737 4.496 0.241 1
1 627 . 6 1 1 A 60 60 VAL CB C 60 34.522 34.676 -0.154 1
1 637 . 6 1 1 A 60 60 VAL C C 60 174.024 174.149 -0.125 1
1 638 . 6 1 1 A 61 61 PRO CA C 61 63.313 62.339 0.974 1
1 639 . 6 1 1 A 61 61 PRO HA H 61 4.611 4.573 0.038 1
1 640 . 6 1 1 A 61 61 PRO CB C 61 32.270 31.020 1.250 1
1 646 . 6 1 1 A 61 61 PRO C C 61 177.388 176.793 0.595 1
1 650 . 6 1 1 A 62 62 MET N N 62 122.153 121.231 0.922 1
1 651 . 6 1 1 A 62 62 MET H H 62 7.843 8.830 -0.987 1
1 652 . 6 1 1 A 62 62 MET CA C 62 53.470 57.895 -4.425 1
1 653 . 6 1 1 A 62 62 MET HA H 62 4.765 4.326 0.439 1
1 654 . 6 1 1 A 62 62 MET CB C 62 33.144 34.290 -1.146 1
1 662 . 6 1 1 A 62 62 MET C C 62 175.742 176.519 -0.777 1
1 665 . 6 1 1 A 63 63 GLY N N 63 109.196 103.268 5.928 1
1 666 . 6 1 1 A 63 63 GLY H H 63 7.757 6.817 0.940 1
1 667 . 6 1 1 A 63 63 GLY CA C 63 44.092 45.489 -1.397 1
1 668 . 6 1 1 A 63 63 GLY HA3 H 63 4.193 3.941 0.252 1
1 669 . 6 1 1 A 63 63 GLY C C 63 173.451 172.308 1.143 1
1 670 . 6 1 1 A 63 63 GLY HA2 H 63 3.757 3.934 -0.177 1
1 671 . 6 1 1 A 64 64 LYS CA C 64 58.104 57.668 0.436 1
1 672 . 6 1 1 A 64 64 LYS HA H 64 3.994 3.924 0.070 1
1 673 . 6 1 1 A 64 64 LYS CB C 64 31.766 32.078 -0.312 1
1 681 . 6 1 1 A 64 64 LYS C C 64 177.657 177.349 0.308 1
1 686 . 6 1 1 A 65 65 ASN N N 65 117.648 124.463 -6.815 1
1 687 . 6 1 1 A 65 65 ASN H H 65 8.860 8.919 -0.059 1
1 688 . 6 1 1 A 65 65 ASN CA C 65 54.222 54.014 0.208 1
1 689 . 6 1 1 A 65 65 ASN HA H 65 4.587 4.632 -0.045 1
1 690 . 6 1 1 A 65 65 ASN CB C 65 38.313 36.246 2.067 1
1 695 . 6 1 1 A 65 65 ASN C C 65 173.302 174.031 -0.729 1
1 697 . 6 1 1 A 66 66 SER N N 66 112.701 114.770 -2.069 1
1 698 . 6 1 1 A 66 66 SER H H 66 7.367 7.703 -0.336 1
1 699 . 6 1 1 A 66 66 SER CA C 66 57.766 57.186 0.580 1
1 700 . 6 1 1 A 66 66 SER HA H 66 5.112 5.136 -0.024 1
1 701 . 6 1 1 A 66 66 SER CB C 66 65.000 65.410 -0.410 1
1 703 . 6 1 1 A 66 66 SER C C 66 172.793 172.721 0.072 1
1 705 . 6 1 1 A 67 67 HIS N N 67 124.096 121.670 2.426 1
1 706 . 6 1 1 A 67 67 HIS H H 67 8.735 8.863 -0.128 1
1 707 . 6 1 1 A 67 67 HIS CA C 67 55.123 54.710 0.413 1
1 708 . 6 1 1 A 67 67 HIS HA H 67 4.975 5.002 -0.027 1
1 709 . 6 1 1 A 67 67 HIS CB C 67 34.914 33.811 1.103 1
1 715 . 6 1 1 A 67 67 HIS C C 67 173.884 173.462 0.422 1
1 717 . 6 1 1 A 68 68 CYS N N 68 122.598 123.079 -0.481 1
1 718 . 6 1 1 A 68 68 CYS H H 68 9.333 8.825 0.508 1
1 719 . 6 1 1 A 68 68 CYS CA C 68 56.907 57.141 -0.234 1
1 720 . 6 1 1 A 68 68 CYS HA H 68 5.311 5.284 0.027 1
1 721 . 6 1 1 A 68 68 CYS CB C 68 29.314 30.811 -1.497 1
1 723 . 6 1 1 A 68 68 CYS C C 68 173.554 173.076 0.478 1
1 725 . 6 1 1 A 69 69 VAL N N 69 128.613 126.620 1.993 1
1 726 . 6 1 1 A 69 69 VAL H H 69 9.074 8.407 0.667 1
1 727 . 6 1 1 A 69 69 VAL CA C 69 61.632 61.439 0.193 1
1 728 . 6 1 1 A 69 69 VAL HA H 69 4.725 4.867 -0.142 1
1 729 . 6 1 1 A 69 69 VAL CB C 69 32.387 33.277 -0.890 1
1 739 . 6 1 1 A 69 69 VAL C C 69 174.230 175.149 -0.919 1
1 740 . 6 1 1 A 70 70 ARG N N 70 128.053 126.752 1.301 1
1 741 . 6 1 1 A 70 70 ARG H H 70 9.052 8.560 0.492 1
1 742 . 6 1 1 A 70 70 ARG CA C 70 54.797 54.941 -0.144 1
1 743 . 6 1 1 A 70 70 ARG HA H 70 5.761 5.013 0.748 1
1 744 . 6 1 1 A 70 70 ARG CB C 70 34.395 31.497 2.898 1
1 751 . 6 1 1 A 70 70 ARG C C 70 175.918 175.529 0.389 1
1 755 . 6 1 1 A 71 71 PHE N N 71 122.942 119.693 3.249 1
1 756 . 6 1 1 A 71 71 PHE H H 71 8.702 8.107 0.595 1
1 757 . 6 1 1 A 71 71 PHE CA C 71 55.748 56.103 -0.355 1
1 758 . 6 1 1 A 71 71 PHE HA H 71 4.936 5.101 -0.165 1
1 759 . 6 1 1 A 71 71 PHE CB C 71 41.245 40.924 0.321 1
1 771 . 6 1 1 A 71 71 PHE C C 71 171.709 172.181 -0.472 1
1 773 . 6 1 1 A 72 72 VAL N N 72 122.214 120.245 1.969 1
1 774 . 6 1 1 A 72 72 VAL H H 72 8.512 8.833 -0.321 1
1 775 . 6 1 1 A 72 72 VAL CA C 72 58.398 59.259 -0.861 1
1 776 . 6 1 1 A 72 72 VAL HA H 72 4.752 4.745 0.007 1
1 777 . 6 1 1 A 72 72 VAL CB C 72 32.747 32.077 0.670 1
1 787 . 6 1 1 A 72 72 VAL C C 72 174.416 174.847 -0.431 1
1 788 . 6 1 1 A 73 73 PRO CA C 73 62.606 62.618 -0.012 1
1 789 . 6 1 1 A 73 73 PRO HA H 73 4.646 5.153 -0.507 1
1 790 . 6 1 1 A 73 73 PRO CB C 73 33.679 29.707 3.972 1
1 796 . 6 1 1 A 73 73 PRO C C 73 176.757 175.871 0.886 1
1 800 . 6 1 1 A 74 74 GLN N N 74 119.992 123.636 -3.644 1
1 801 . 6 1 1 A 74 74 GLN H H 74 9.869 8.690 1.179 1
1 802 . 6 1 1 A 74 74 GLN CA C 74 55.156 55.023 0.133 1
1 803 . 6 1 1 A 74 74 GLN HA H 74 4.602 5.101 -0.499 1
1 804 . 6 1 1 A 74 74 GLN CB C 74 31.405 30.655 0.750 1
1 811 . 6 1 1 A 74 74 GLN C C 74 174.987 174.998 -0.011 1
1 814 . 6 1 1 A 75 75 GLU N N 75 119.264 124.144 -4.880 1
1 815 . 6 1 1 A 75 75 GLU H H 75 8.009 8.926 -0.917 1
1 816 . 6 1 1 A 75 75 GLU CA C 75 54.138 54.363 -0.225 1
1 817 . 6 1 1 A 75 75 GLU HA H 75 4.657 4.766 -0.109 1
1 818 . 6 1 1 A 75 75 GLU CB C 75 34.046 33.279 0.767 1
1 822 . 6 1 1 A 75 75 GLU C C 75 173.922 175.859 -1.937 1
1 825 . 6 1 1 A 76 76 MET N N 76 117.176 119.335 -2.159 1
1 826 . 6 1 1 A 76 76 MET H H 76 8.450 8.547 -0.097 1
1 827 . 6 1 1 A 76 76 MET CA C 76 55.468 55.605 -0.137 1
1 828 . 6 1 1 A 76 76 MET HA H 76 4.275 4.845 -0.570 1
1 829 . 6 1 1 A 76 76 MET CB C 76 34.487 33.602 0.885 1
1 837 . 6 1 1 A 76 76 MET C C 76 175.964 176.095 -0.131 1
1 840 . 6 1 1 A 77 77 GLY N N 77 106.906 106.447 0.459 1
1 841 . 6 1 1 A 77 77 GLY H H 77 9.058 7.687 1.371 1
1 842 . 6 1 1 A 77 77 GLY CA C 77 43.832 45.845 -2.013 1
1 843 . 6 1 1 A 77 77 GLY HA3 H 77 3.944 4.116 -0.172 1
1 844 . 6 1 1 A 77 77 GLY C C 77 176.459 171.950 4.509 1
1 845 . 6 1 1 A 77 77 GLY HA2 H 77 4.787 4.093 0.694 1
1 846 . 6 1 1 A 78 78 VAL N N 78 125.184 122.600 2.584 1
1 847 . 6 1 1 A 78 78 VAL H H 78 9.293 8.388 0.905 1
1 848 . 6 1 1 A 78 78 VAL CA C 78 64.999 59.665 5.334 1
1 849 . 6 1 1 A 78 78 VAL HA H 78 4.178 4.767 -0.589 1
1 850 . 6 1 1 A 78 78 VAL CB C 78 31.558 34.536 -2.978 1
1 860 . 6 1 1 A 78 78 VAL C C 78 175.942 173.541 2.401 1
1 861 . 6 1 1 A 79 79 HIS N N 79 128.345 126.791 1.554 1
1 862 . 6 1 1 A 79 79 HIS H H 79 9.553 8.642 0.911 1
1 863 . 6 1 1 A 79 79 HIS CA C 79 55.063 54.587 0.476 1
1 864 . 6 1 1 A 79 79 HIS HA H 79 4.798 4.922 -0.124 1
1 865 . 6 1 1 A 79 79 HIS CB C 79 31.489 30.146 1.343 1
1 871 . 6 1 1 A 79 79 HIS C C 79 174.069 174.635 -0.566 1
1 873 . 6 1 1 A 80 80 THR N N 80 114.672 118.185 -3.513 1
1 874 . 6 1 1 A 80 80 THR H H 80 8.452 8.360 0.092 1
1 875 . 6 1 1 A 80 80 THR CA C 80 61.075 61.612 -0.537 1
1 876 . 6 1 1 A 80 80 THR HA H 80 5.213 4.994 0.219 1
1 877 . 6 1 1 A 80 80 THR CB C 80 70.795 70.893 -0.098 1
1 883 . 6 1 1 A 80 80 THR C C 80 173.863 173.240 0.623 1
1 884 . 6 1 1 A 81 81 VAL N N 81 127.546 129.402 -1.856 1
1 885 . 6 1 1 A 81 81 VAL H H 81 9.701 9.168 0.533 1
1 886 . 6 1 1 A 81 81 VAL CA C 81 60.799 62.190 -1.391 1
1 887 . 6 1 1 A 81 81 VAL HA H 81 4.782 4.530 0.252 1
1 888 . 6 1 1 A 81 81 VAL CB C 81 33.635 32.351 1.284 1
1 898 . 6 1 1 A 81 81 VAL C C 81 174.707 175.431 -0.724 1
1 899 . 6 1 1 A 82 82 SER N N 82 123.308 125.687 -2.379 1
1 900 . 6 1 1 A 82 82 SER H H 82 9.104 8.996 0.108 1
1 901 . 6 1 1 A 82 82 SER CA C 82 56.981 58.081 -1.100 1
1 902 . 6 1 1 A 82 82 SER HA H 82 5.108 5.088 0.020 1
1 903 . 6 1 1 A 82 82 SER CB C 82 64.728 63.697 1.031 1
1 905 . 6 1 1 A 82 82 SER C C 82 173.688 173.676 0.012 1
1 907 . 6 1 1 A 83 83 VAL N N 83 129.049 127.053 1.996 1
1 908 . 6 1 1 A 83 83 VAL H H 83 9.925 8.902 1.023 1
1 909 . 6 1 1 A 83 83 VAL CA C 83 61.669 61.431 0.238 1
1 910 . 6 1 1 A 83 83 VAL HA H 83 4.897 4.904 -0.007 1
1 911 . 6 1 1 A 83 83 VAL CB C 83 33.590 32.891 0.699 1
1 921 . 6 1 1 A 83 83 VAL C C 83 174.094 175.136 -1.042 1
1 922 . 6 1 1 A 84 84 LYS N N 84 123.792 127.237 -3.445 1
1 923 . 6 1 1 A 84 84 LYS H H 84 8.768 8.678 0.090 1
1 924 . 6 1 1 A 84 84 LYS CA C 84 54.435 54.445 -0.010 1
1 925 . 6 1 1 A 84 84 LYS HA H 84 5.153 4.800 0.353 1
1 926 . 6 1 1 A 84 84 LYS CB C 84 37.608 35.456 2.152 1
1 934 . 6 1 1 A 84 84 LYS C C 84 174.908 174.268 0.640 1
1 939 . 6 1 1 A 85 85 TYR N N 85 120.439 124.298 -3.859 1
1 940 . 6 1 1 A 85 85 TYR H H 85 8.926 9.056 -0.130 1
1 941 . 6 1 1 A 85 85 TYR CA C 85 56.005 57.607 -1.602 1
1 942 . 6 1 1 A 85 85 TYR HA H 85 4.938 4.867 0.071 1
1 943 . 6 1 1 A 85 85 TYR CB C 85 41.386 40.714 0.672 1
1 953 . 6 1 1 A 85 85 TYR C C 85 175.255 175.034 0.221 1
1 955 . 6 1 1 A 86 86 ARG N N 86 127.150 128.624 -1.474 1
1 956 . 6 1 1 A 86 86 ARG H H 86 9.115 9.319 -0.204 1
1 957 . 6 1 1 A 86 86 ARG CA C 86 57.122 57.045 0.077 1
1 958 . 6 1 1 A 86 86 ARG HA H 86 3.659 3.879 -0.220 1
1 959 . 6 1 1 A 86 86 ARG CB C 86 27.563 27.479 0.084 1
1 965 . 6 1 1 A 86 86 ARG C C 86 176.482 176.260 0.222 1
1 969 . 6 1 1 A 87 87 GLY N N 87 102.394 104.650 -2.256 1
1 970 . 6 1 1 A 87 87 GLY H H 87 8.564 8.617 -0.053 1
1 971 . 6 1 1 A 87 87 GLY CA C 87 45.388 46.154 -0.766 1
1 972 . 6 1 1 A 87 87 GLY HA3 H 87 4.099 3.892 0.207 1
1 973 . 6 1 1 A 87 87 GLY C C 87 173.631 173.556 0.075 1
1 974 . 6 1 1 A 87 87 GLY HA2 H 87 3.460 3.871 -0.411 1
1 975 . 6 1 1 A 88 88 GLN N N 88 119.060 119.284 -0.224 1
1 976 . 6 1 1 A 88 88 GLN H H 88 7.665 7.920 -0.255 1
1 977 . 6 1 1 A 88 88 GLN CA C 88 53.265 54.449 -1.184 1
1 978 . 6 1 1 A 88 88 GLN HA H 88 4.749 4.818 -0.069 1
1 979 . 6 1 1 A 88 88 GLN CB C 88 31.383 31.395 -0.012 1
1 986 . 6 1 1 A 88 88 GLN C C 88 175.689 174.862 0.827 1
1 989 . 6 1 1 A 89 89 HIS N N 89 123.344 123.878 -0.534 1
1 990 . 6 1 1 A 89 89 HIS H H 89 8.789 8.789 0.000 1
1 991 . 6 1 1 A 89 89 HIS CA C 89 59.011 57.775 1.236 1
1 992 . 6 1 1 A 89 89 HIS HA H 89 4.546 4.594 -0.048 1
1 993 . 6 1 1 A 89 89 HIS CB C 89 32.365 30.262 2.103 1
1 999 . 6 1 1 A 89 89 HIS C C 89 178.152 175.929 2.223 1
1 1001 . 6 1 1 A 90 90 VAL N N 90 117.749 120.951 -3.202 1
1 1002 . 6 1 1 A 90 90 VAL H H 90 8.436 8.083 0.353 1
1 1003 . 6 1 1 A 90 90 VAL CA C 90 60.473 61.649 -1.176 1
1 1004 . 6 1 1 A 90 90 VAL HA H 90 4.535 4.179 0.356 1
1 1005 . 6 1 1 A 90 90 VAL CB C 90 32.489 33.483 -0.994 1
1 1015 . 6 1 1 A 90 90 VAL C C 90 176.018 175.595 0.423 1
1 1016 . 6 1 1 A 91 91 THR N N 91 118.099 116.894 1.205 1
1 1017 . 6 1 1 A 91 91 THR H H 91 8.491 8.483 0.008 1
1 1018 . 6 1 1 A 91 91 THR CA C 91 65.519 65.178 0.341 1
1 1019 . 6 1 1 A 91 91 THR HA H 91 3.924 3.825 0.099 1
1 1020 . 6 1 1 A 91 91 THR CB C 91 68.972 68.376 0.596 1
1 1026 . 6 1 1 A 91 91 THR C C 91 174.771 176.234 -1.463 1
1 1027 . 6 1 1 A 92 92 GLY N N 92 116.032 114.826 1.206 1
1 1028 . 6 1 1 A 92 92 GLY H H 92 8.563 8.917 -0.354 1
1 1029 . 6 1 1 A 92 92 GLY CA C 92 44.842 46.086 -1.244 1
1 1030 . 6 1 1 A 92 92 GLY HA3 H 92 4.213 3.907 0.306 1
1 1031 . 6 1 1 A 92 92 GLY C C 92 172.199 172.981 -0.782 1
1 1032 . 6 1 1 A 92 92 GLY HA2 H 92 3.361 3.794 -0.433 1
1 1033 . 6 1 1 A 93 93 SER N N 93 113.106 114.923 -1.817 1
1 1034 . 6 1 1 A 93 93 SER H H 93 7.806 7.207 0.599 1
1 1035 . 6 1 1 A 93 93 SER CA C 93 54.600 54.515 0.085 1
1 1036 . 6 1 1 A 93 93 SER HA H 93 4.159 4.128 0.031 1
1 1037 . 6 1 1 A 93 93 SER CB C 93 62.787 65.276 -2.489 1
1 1039 . 6 1 1 A 93 93 SER C C 93 174.123 172.506 1.617 1
1 1041 . 6 1 1 A 94 94 PRO CA C 94 62.619 62.303 0.316 1
1 1042 . 6 1 1 A 94 94 PRO HA H 94 5.537 4.523 1.014 1
1 1043 . 6 1 1 A 94 94 PRO CB C 94 34.521 33.008 1.513 1
1 1049 . 6 1 1 A 94 94 PRO C C 94 176.046 174.888 1.158 1
1 1053 . 6 1 1 A 95 95 PHE N N 95 120.547 119.595 0.952 1
1 1054 . 6 1 1 A 95 95 PHE H H 95 9.127 8.649 0.478 1
1 1055 . 6 1 1 A 95 95 PHE CA C 95 56.700 56.601 0.099 1
1 1056 . 6 1 1 A 95 95 PHE HA H 95 4.844 5.097 -0.253 1
1 1057 . 6 1 1 A 95 95 PHE CB C 95 41.285 40.715 0.570 1
1 1069 . 6 1 1 A 95 95 PHE C C 95 175.219 174.853 0.366 1
1 1071 . 6 1 1 A 96 96 GLN N N 96 120.382 125.544 -5.162 1
1 1072 . 6 1 1 A 96 96 GLN H H 96 8.896 9.080 -0.184 1
1 1073 . 6 1 1 A 96 96 GLN CA C 96 55.028 55.465 -0.437 1
1 1074 . 6 1 1 A 96 96 GLN HA H 96 5.440 4.904 0.536 1
1 1075 . 6 1 1 A 96 96 GLN CB C 96 31.867 29.893 1.974 1
1 1082 . 6 1 1 A 96 96 GLN C C 96 175.480 175.274 0.206 1
1 1085 . 6 1 1 A 97 97 PHE N N 97 121.331 121.595 -0.264 1
1 1086 . 6 1 1 A 97 97 PHE H H 97 8.822 8.578 0.244 1
1 1087 . 6 1 1 A 97 97 PHE CA C 97 56.931 56.190 0.741 1
1 1088 . 6 1 1 A 97 97 PHE HA H 97 4.960 5.223 -0.263 1
1 1089 . 6 1 1 A 97 97 PHE CB C 97 42.133 41.881 0.252 1
1 1101 . 6 1 1 A 97 97 PHE C C 97 173.780 172.373 1.407 1
1 1103 . 6 1 1 A 98 98 THR N N 98 121.160 116.404 4.756 1
1 1104 . 6 1 1 A 98 98 THR H H 98 8.907 8.860 0.047 1
1 1105 . 6 1 1 A 98 98 THR CA C 98 63.381 61.535 1.846 1
1 1106 . 6 1 1 A 98 98 THR HA H 98 4.487 4.913 -0.426 1
1 1107 . 6 1 1 A 98 98 THR CB C 98 69.599 70.647 -1.048 1
1 1113 . 6 1 1 A 98 98 THR C C 98 173.058 174.171 -1.113 1
1 1114 . 6 1 1 A 99 99 VAL N N 99 128.111 125.785 2.326 1
1 1115 . 6 1 1 A 99 99 VAL H H 99 8.240 8.750 -0.510 1
1 1116 . 6 1 1 A 99 99 VAL CA C 99 61.670 60.613 1.057 1
1 1117 . 6 1 1 A 99 99 VAL HA H 99 4.271 4.642 -0.371 1
1 1118 . 6 1 1 A 99 99 VAL CB C 99 32.962 34.252 -1.290 1
1 1128 . 6 1 1 A 99 99 VAL C C 99 176.689 175.586 1.103 1
1 1129 . 6 1 1 A 100 100 GLY N N 100 118.412 113.955 4.457 1
1 1130 . 6 1 1 A 100 100 GLY H H 100 8.946 8.198 0.748 1
1 1131 . 6 1 1 A 100 100 GLY CA C 100 44.504 44.289 0.215 1
1 1132 . 6 1 1 A 100 100 GLY HA3 H 100 4.506 4.156 0.350 1
1 1133 . 6 1 1 A 100 100 GLY C C 100 170.474 173.074 -2.600 1
1 1134 . 6 1 1 A 100 100 GLY HA2 H 100 4.136 4.151 -0.015 1
1 1135 . 6 1 1 A 101 101 PRO CA C 101 62.588 62.660 -0.072 1
1 1136 . 6 1 1 A 101 101 PRO HA H 101 4.525 4.607 -0.082 1
1 1137 . 6 1 1 A 101 101 PRO CB C 101 32.641 33.038 -0.397 1
1 1143 . 6 1 1 A 101 101 PRO C C 101 176.696 175.190 1.506 1
1 1147 . 6 1 1 A 102 102 LEU N N 102 121.326 121.386 -0.060 1
1 1148 . 6 1 1 A 102 102 LEU H H 102 8.374 8.530 -0.156 1
1 1149 . 6 1 1 A 102 102 LEU CA C 102 55.855 53.588 2.267 1
1 1150 . 6 1 1 A 102 102 LEU HA H 102 4.221 5.043 -0.822 1
1 1151 . 6 1 1 A 102 102 LEU CB C 102 42.652 45.604 -2.952 1
1 1163 . 6 1 1 A 102 102 LEU C C 102 178.005 176.353 1.652 1
1 1165 . 6 1 1 A 103 103 GLY N N 103 110.870 110.632 0.238 1
1 1166 . 6 1 1 A 103 103 GLY H H 103 8.481 8.433 0.048 1
1 1167 . 6 1 1 A 103 103 GLY CA C 103 45.208 45.506 -0.298 1
1 1168 . 6 1 1 A 103 103 GLY HA3 H 103 3.927 4.034 -0.107 1
1 1169 . 6 1 1 A 103 103 GLY C C 103 174.126 174.632 -0.506 1
1 1170 . 6 1 1 A 103 103 GLY HA2 H 103 3.991 4.033 -0.042 1
1 1171 . 6 1 1 A 104 104 GLU N N 104 120.771 122.114 -1.343 1
1 1172 . 6 1 1 A 104 104 GLU H H 104 8.308 8.019 0.289 1
1 1173 . 6 1 1 A 104 104 GLU CA C 104 56.713 57.401 -0.688 1
1 1174 . 6 1 1 A 104 104 GLU HA H 104 4.318 4.260 0.058 1
1 1175 . 6 1 1 A 104 104 GLU CB C 104 30.470 30.306 0.164 1
1 1179 . 6 1 1 A 104 104 GLU C C 104 177.052 176.196 0.856 1
1 1182 . 6 1 1 A 105 105 GLY N N 105 110.589 113.009 -2.420 1
1 1183 . 6 1 1 A 105 105 GLY H H 105 8.546 8.480 0.066 1
1 1184 . 6 1 1 A 105 105 GLY CA C 105 45.256 44.575 0.681 1
1 1185 . 6 1 1 A 105 105 GLY HA3 H 105 3.925 4.166 -0.241 1
1 1186 . 6 1 1 A 105 105 GLY C C 105 173.795 174.586 -0.791 1
1 1187 . 6 1 1 A 105 105 GLY HA2 H 105 3.992 4.166 -0.174 1
1 1 . 7 1 1 A 7 7 GLY CA C 7 45.415 47.277 -1.862 1
1 2 . 7 1 1 A 7 7 GLY HA3 H 7 3.972 3.813 0.159 1
1 3 . 7 1 1 A 7 7 GLY C C 7 174.102 173.640 0.462 1
1 4 . 7 1 1 A 7 7 GLY HA2 H 7 3.972 3.813 0.159 1
1 5 . 7 1 1 A 8 8 ARG N N 8 120.724 119.933 0.791 1
1 6 . 7 1 1 A 8 8 ARG H H 8 8.124 8.259 -0.135 1
1 7 . 7 1 1 A 8 8 ARG CA C 8 56.123 54.019 2.104 1
1 8 . 7 1 1 A 8 8 ARG HA H 8 4.363 4.856 -0.493 1
1 9 . 7 1 1 A 8 8 ARG CB C 8 30.881 33.625 -2.744 1
1 15 . 7 1 1 A 8 8 ARG C C 8 176.487 175.884 0.603 1
1 19 . 7 1 1 A 9 9 VAL N N 9 121.839 121.944 -0.105 1
1 20 . 7 1 1 A 9 9 VAL H H 9 8.204 8.477 -0.273 1
1 21 . 7 1 1 A 9 9 VAL CA C 9 62.438 63.279 -0.841 1
1 22 . 7 1 1 A 9 9 VAL HA H 9 4.081 3.913 0.168 1
1 23 . 7 1 1 A 9 9 VAL CB C 9 32.773 31.128 1.645 1
1 33 . 7 1 1 A 9 9 VAL C C 9 176.204 176.095 0.109 1
1 34 . 7 1 1 A 10 10 LYS N N 10 125.552 127.088 -1.536 1
1 35 . 7 1 1 A 10 10 LYS H H 10 8.437 8.671 -0.234 1
1 36 . 7 1 1 A 10 10 LYS CA C 10 56.575 54.060 2.515 1
1 37 . 7 1 1 A 10 10 LYS HA H 10 4.280 4.851 -0.571 1
1 38 . 7 1 1 A 10 10 LYS CB C 10 33.046 35.770 -2.724 1
1 46 . 7 1 1 A 10 10 LYS C C 10 176.486 175.901 0.585 1
1 51 . 7 1 1 A 11 11 GLU N N 11 122.741 121.067 1.674 1
1 52 . 7 1 1 A 11 11 GLU H H 11 8.490 8.367 0.123 1
1 53 . 7 1 1 A 11 11 GLU CA C 11 56.717 56.638 0.079 1
1 54 . 7 1 1 A 11 11 GLU HA H 11 4.303 4.329 -0.026 1
1 55 . 7 1 1 A 11 11 GLU CB C 11 30.422 30.195 0.227 1
1 59 . 7 1 1 A 11 11 GLU C C 11 176.428 177.171 -0.743 1
1 62 . 7 1 1 A 12 12 SER N N 12 117.227 116.839 0.388 1
1 63 . 7 1 1 A 12 12 SER H H 12 8.434 8.578 -0.144 1
1 64 . 7 1 1 A 12 12 SER CA C 12 58.340 59.673 -1.333 1
1 65 . 7 1 1 A 12 12 SER HA H 12 4.477 4.349 0.128 1
1 66 . 7 1 1 A 12 12 SER CB C 12 63.670 63.902 -0.232 1
1 68 . 7 1 1 A 12 12 SER C C 12 174.574 174.724 -0.150 1
1 70 . 7 1 1 A 13 13 ILE N N 13 122.704 125.470 -2.766 1
1 71 . 7 1 1 A 13 13 ILE H H 13 8.189 8.369 -0.180 1
1 72 . 7 1 1 A 13 13 ILE CA C 13 61.364 62.507 -1.143 1
1 73 . 7 1 1 A 13 13 ILE HA H 13 4.270 4.184 0.086 1
1 74 . 7 1 1 A 13 13 ILE CB C 13 38.870 38.983 -0.113 1
1 86 . 7 1 1 A 13 13 ILE C C 13 176.445 177.190 -0.745 1
1 88 . 7 1 1 A 14 14 THR N N 14 118.671 125.447 -6.776 1
1 89 . 7 1 1 A 14 14 THR H H 14 8.265 8.868 -0.603 1
1 90 . 7 1 1 A 14 14 THR CA C 14 62.080 65.375 -3.295 1
1 91 . 7 1 1 A 14 14 THR HA H 14 4.338 4.029 0.309 1
1 92 . 7 1 1 A 14 14 THR CB C 14 69.779 69.152 0.627 1
1 98 . 7 1 1 A 14 14 THR C C 14 174.465 174.394 0.071 1
1 99 . 7 1 1 A 15 15 ARG N N 15 124.132 120.756 3.376 1
1 100 . 7 1 1 A 15 15 ARG H H 15 8.428 8.036 0.392 1
1 101 . 7 1 1 A 15 15 ARG CA C 15 56.221 57.046 -0.825 1
1 102 . 7 1 1 A 15 15 ARG HA H 15 4.447 4.008 0.439 1
1 103 . 7 1 1 A 15 15 ARG CB C 15 30.949 28.933 2.016 1
1 109 . 7 1 1 A 15 15 ARG C C 15 176.374 175.314 1.060 1
1 113 . 7 1 1 A 16 16 THR N N 16 115.339 111.264 4.075 1
1 114 . 7 1 1 A 16 16 THR H H 16 8.232 8.520 -0.288 1
1 115 . 7 1 1 A 16 16 THR CA C 16 61.828 62.959 -1.131 1
1 116 . 7 1 1 A 16 16 THR HA H 16 4.389 4.084 0.305 1
1 117 . 7 1 1 A 16 16 THR CB C 16 69.896 66.639 3.257 1
1 123 . 7 1 1 A 16 16 THR C C 16 174.518 174.616 -0.098 1
1 124 . 7 1 1 A 17 17 SER N N 17 118.278 116.292 1.986 1
1 125 . 7 1 1 A 17 17 SER H H 17 8.331 8.255 0.076 1
1 126 . 7 1 1 A 17 17 SER CA C 17 58.326 58.928 -0.602 1
1 127 . 7 1 1 A 17 17 SER HA H 17 4.500 4.246 0.254 1
1 128 . 7 1 1 A 17 17 SER CB C 17 63.918 61.547 2.371 1
1 130 . 7 1 1 A 17 17 SER C C 17 174.172 174.623 -0.451 1
1 132 . 7 1 1 A 18 18 ARG N N 18 122.935 122.286 0.649 1
1 133 . 7 1 1 A 18 18 ARG H H 18 8.376 7.854 0.522 1
1 134 . 7 1 1 A 18 18 ARG CA C 18 55.772 56.655 -0.883 1
1 135 . 7 1 1 A 18 18 ARG HA H 18 4.386 4.366 0.020 1
1 136 . 7 1 1 A 18 18 ARG CB C 18 31.073 30.842 0.231 1
1 142 . 7 1 1 A 18 18 ARG C C 18 175.493 175.711 -0.218 1
1 146 . 7 1 1 A 19 19 ALA N N 19 126.804 130.339 -3.535 1
1 147 . 7 1 1 A 19 19 ALA H H 19 8.357 8.448 -0.091 1
1 148 . 7 1 1 A 19 19 ALA CA C 19 50.553 50.463 0.090 1
1 149 . 7 1 1 A 19 19 ALA HA H 19 4.585 4.704 -0.119 1
1 150 . 7 1 1 A 19 19 ALA CB C 19 18.208 18.515 -0.307 1
1 154 . 7 1 1 A 19 19 ALA C C 19 175.408 176.070 -0.662 1
1 155 . 7 1 1 A 20 20 PRO CA C 20 63.352 62.537 0.815 1
1 156 . 7 1 1 A 20 20 PRO HA H 20 4.455 4.730 -0.275 1
1 157 . 7 1 1 A 20 20 PRO CB C 20 32.196 30.128 2.068 1
1 163 . 7 1 1 A 20 20 PRO C C 20 176.846 176.015 0.831 1
1 167 . 7 1 1 A 21 21 SER N N 21 116.414 113.716 2.698 1
1 168 . 7 1 1 A 21 21 SER H H 21 8.449 8.003 0.446 1
1 169 . 7 1 1 A 21 21 SER CA C 21 58.507 57.409 1.098 1
1 170 . 7 1 1 A 21 21 SER HA H 21 4.475 4.859 -0.384 1
1 171 . 7 1 1 A 21 21 SER CB C 21 63.851 66.112 -2.261 1
1 173 . 7 1 1 A 21 21 SER C C 21 174.344 172.357 1.987 1
1 175 . 7 1 1 A 22 22 VAL N N 22 120.580 122.776 -2.196 1
1 176 . 7 1 1 A 22 22 VAL H H 22 8.110 8.868 -0.758 1
1 177 . 7 1 1 A 22 22 VAL CA C 22 61.788 61.570 0.218 1
1 178 . 7 1 1 A 22 22 VAL HA H 22 4.293 4.656 -0.363 1
1 179 . 7 1 1 A 22 22 VAL CB C 22 33.445 33.530 -0.085 1
1 189 . 7 1 1 A 22 22 VAL C C 22 175.160 174.832 0.328 1
1 190 . 7 1 1 A 23 23 ALA N N 23 127.788 130.677 -2.889 1
1 191 . 7 1 1 A 23 23 ALA H H 23 8.428 9.039 -0.611 1
1 192 . 7 1 1 A 23 23 ALA CA C 23 51.790 50.047 1.743 1
1 193 . 7 1 1 A 23 23 ALA HA H 23 4.594 5.243 -0.649 1
1 194 . 7 1 1 A 23 23 ALA CB C 23 21.050 20.634 0.416 1
1 198 . 7 1 1 A 23 23 ALA C C 23 176.198 176.934 -0.736 1
1 199 . 7 1 1 A 24 24 THR N N 24 115.139 117.500 -2.361 1
1 200 . 7 1 1 A 24 24 THR H H 24 8.338 8.158 0.180 1
1 201 . 7 1 1 A 24 24 THR CA C 24 60.519 61.150 -0.631 1
1 202 . 7 1 1 A 24 24 THR HA H 24 4.674 4.860 -0.186 1
1 203 . 7 1 1 A 24 24 THR CB C 24 72.048 71.002 1.046 1
1 209 . 7 1 1 A 24 24 THR C C 24 173.979 172.840 1.139 1
1 210 . 7 1 1 A 25 25 VAL N N 25 122.772 121.340 1.432 1
1 211 . 7 1 1 A 25 25 VAL H H 25 8.002 8.792 -0.790 1
1 212 . 7 1 1 A 25 25 VAL CA C 25 64.582 60.313 4.269 1
1 213 . 7 1 1 A 25 25 VAL HA H 25 3.280 4.707 -1.427 1
1 214 . 7 1 1 A 25 25 VAL CB C 25 32.102 34.141 -2.039 1
1 224 . 7 1 1 A 25 25 VAL C C 25 176.709 175.945 0.764 1
1 225 . 7 1 1 A 26 26 GLY N N 26 112.345 116.345 -4.000 1
1 226 . 7 1 1 A 26 26 GLY H H 26 8.344 9.020 -0.676 1
1 227 . 7 1 1 A 26 26 GLY CA C 26 45.534 46.685 -1.151 1
1 228 . 7 1 1 A 26 26 GLY HA3 H 26 4.166 3.926 0.240 1
1 229 . 7 1 1 A 26 26 GLY C C 26 173.701 173.614 0.087 1
1 230 . 7 1 1 A 26 26 GLY HA2 H 26 3.519 3.909 -0.390 1
1 231 . 7 1 1 A 27 27 SER N N 27 116.474 114.106 2.368 1
1 232 . 7 1 1 A 27 27 SER H H 27 7.738 7.752 -0.014 1
1 233 . 7 1 1 A 27 27 SER CA C 27 57.264 57.374 -0.110 1
1 234 . 7 1 1 A 27 27 SER HA H 27 4.692 5.023 -0.331 1
1 235 . 7 1 1 A 27 27 SER CB C 27 65.270 67.008 -1.738 1
1 237 . 7 1 1 A 27 27 SER C C 27 172.491 173.275 -0.784 1
1 239 . 7 1 1 A 28 28 ILE N N 28 122.052 126.264 -4.212 1
1 240 . 7 1 1 A 28 28 ILE H H 28 8.350 8.684 -0.334 1
1 241 . 7 1 1 A 28 28 ILE CA C 28 62.995 62.439 0.556 1
1 242 . 7 1 1 A 28 28 ILE HA H 28 3.693 3.990 -0.297 1
1 243 . 7 1 1 A 28 28 ILE CB C 28 38.221 36.997 1.224 1
1 255 . 7 1 1 A 28 28 ILE C C 28 175.624 175.693 -0.069 1
1 257 . 7 1 1 A 29 29 CYS N N 29 129.493 127.246 2.247 1
1 258 . 7 1 1 A 29 29 CYS H H 29 8.730 8.563 0.167 1
1 259 . 7 1 1 A 29 29 CYS CA C 29 58.201 57.152 1.049 1
1 260 . 7 1 1 A 29 29 CYS HA H 29 4.451 4.861 -0.410 1
1 261 . 7 1 1 A 29 29 CYS CB C 29 28.560 28.494 0.066 1
1 263 . 7 1 1 A 29 29 CYS C C 29 171.207 173.528 -2.321 1
1 265 . 7 1 1 A 30 30 ASP N N 30 123.789 125.401 -1.612 1
1 266 . 7 1 1 A 30 30 ASP H H 30 8.000 8.695 -0.695 1
1 267 . 7 1 1 A 30 30 ASP CA C 30 52.692 53.063 -0.371 1
1 268 . 7 1 1 A 30 30 ASP HA H 30 5.315 4.936 0.379 1
1 269 . 7 1 1 A 30 30 ASP CB C 30 43.397 41.497 1.900 1
1 271 . 7 1 1 A 30 30 ASP C C 30 175.569 174.489 1.080 1
1 273 . 7 1 1 A 31 31 LEU N N 31 125.116 126.815 -1.699 1
1 274 . 7 1 1 A 31 31 LEU H H 31 9.147 9.138 0.009 1
1 275 . 7 1 1 A 31 31 LEU CA C 31 53.606 53.792 -0.186 1
1 276 . 7 1 1 A 31 31 LEU HA H 31 4.515 4.692 -0.177 1
1 277 . 7 1 1 A 31 31 LEU CB C 31 43.262 43.377 -0.115 1
1 289 . 7 1 1 A 31 31 LEU C C 31 174.935 175.139 -0.204 1
1 291 . 7 1 1 A 32 32 ASN N N 32 124.687 126.862 -2.175 1
1 292 . 7 1 1 A 32 32 ASN H H 32 8.690 8.929 -0.239 1
1 293 . 7 1 1 A 32 32 ASN CA C 32 53.696 53.003 0.693 1
1 294 . 7 1 1 A 32 32 ASN HA H 32 5.077 5.065 0.012 1
1 295 . 7 1 1 A 32 32 ASN CB C 32 39.842 39.313 0.529 1
1 300 . 7 1 1 A 32 32 ASN C C 32 174.322 173.837 0.485 1
1 302 . 7 1 1 A 33 33 LEU N N 33 123.838 127.164 -3.326 1
1 303 . 7 1 1 A 33 33 LEU H H 33 8.912 8.405 0.507 1
1 304 . 7 1 1 A 33 33 LEU CA C 33 53.820 53.256 0.564 1
1 305 . 7 1 1 A 33 33 LEU HA H 33 4.638 4.935 -0.297 1
1 306 . 7 1 1 A 33 33 LEU CB C 33 45.587 45.180 0.407 1
1 318 . 7 1 1 A 33 33 LEU C C 33 175.719 176.156 -0.437 1
1 320 . 7 1 1 A 34 34 LYS N N 34 124.925 124.220 0.705 1
1 321 . 7 1 1 A 34 34 LYS H H 34 8.718 8.574 0.144 1
1 322 . 7 1 1 A 34 34 LYS CA C 34 55.079 55.935 -0.856 1
1 323 . 7 1 1 A 34 34 LYS HA H 34 5.036 4.440 0.596 1
1 324 . 7 1 1 A 34 34 LYS CB C 34 32.121 31.380 0.741 1
1 332 . 7 1 1 A 34 34 LYS C C 34 176.081 175.265 0.816 1
1 337 . 7 1 1 A 35 35 ILE N N 35 123.769 122.393 1.376 1
1 338 . 7 1 1 A 35 35 ILE H H 35 7.935 7.471 0.464 1
1 339 . 7 1 1 A 35 35 ILE CA C 35 58.161 60.164 -2.003 1
1 340 . 7 1 1 A 35 35 ILE HA H 35 4.612 4.194 0.418 1
1 341 . 7 1 1 A 35 35 ILE CB C 35 40.616 38.209 2.407 1
1 353 . 7 1 1 A 35 35 ILE C C 35 173.405 174.266 -0.861 1
1 355 . 7 1 1 A 36 36 PRO CA C 36 63.143 62.309 0.834 1
1 356 . 7 1 1 A 36 36 PRO HA H 36 4.435 4.589 -0.154 1
1 357 . 7 1 1 A 36 36 PRO CB C 36 32.806 33.283 -0.477 1
1 363 . 7 1 1 A 36 36 PRO C C 36 176.844 176.821 0.023 1
1 367 . 7 1 1 A 37 37 GLU N N 37 114.188 119.533 -5.345 1
1 368 . 7 1 1 A 37 37 GLU H H 37 8.358 8.746 -0.388 1
1 369 . 7 1 1 A 37 37 GLU CA C 37 59.038 59.360 -0.322 1
1 370 . 7 1 1 A 37 37 GLU HA H 37 3.916 4.015 -0.099 1
1 371 . 7 1 1 A 37 37 GLU CB C 37 28.206 29.325 -1.119 1
1 375 . 7 1 1 A 37 37 GLU C C 37 175.996 177.592 -1.596 1
1 378 . 7 1 1 A 38 38 ILE N N 38 118.733 122.728 -3.995 1
1 379 . 7 1 1 A 38 38 ILE H H 38 7.679 7.455 0.224 1
1 380 . 7 1 1 A 38 38 ILE CA C 38 60.711 62.201 -1.490 1
1 381 . 7 1 1 A 38 38 ILE HA H 38 4.029 3.882 0.147 1
1 382 . 7 1 1 A 38 38 ILE CB C 38 40.278 37.781 2.497 1
1 394 . 7 1 1 A 38 38 ILE C C 38 175.255 176.341 -1.086 1
1 396 . 7 1 1 A 39 39 ASN H H 39 8.593 8.590 0.003 1
1 397 . 7 1 1 A 39 39 ASN CA C 39 52.929 53.703 -0.774 1
1 398 . 7 1 1 A 39 39 ASN HA H 39 4.921 4.798 0.123 1
1 399 . 7 1 1 A 39 39 ASN CB C 39 39.419 39.665 -0.246 1
1 404 . 7 1 1 A 39 39 ASN C C 39 176.891 175.867 1.024 1
1 406 . 7 1 1 A 40 40 SER N N 40 120.676 118.077 2.599 1
1 407 . 7 1 1 A 40 40 SER H H 40 8.995 8.917 0.078 1
1 408 . 7 1 1 A 40 40 SER CA C 40 62.318 60.477 1.841 1
1 409 . 7 1 1 A 40 40 SER HA H 40 4.058 4.487 -0.429 1
1 410 . 7 1 1 A 40 40 SER CB C 40 63.297 64.416 -1.119 1
1 412 . 7 1 1 A 40 40 SER C C 40 176.866 176.699 0.167 1
1 414 . 7 1 1 A 41 41 SER N N 41 112.249 115.687 -3.438 1
1 415 . 7 1 1 A 41 41 SER H H 41 8.253 8.433 -0.180 1
1 416 . 7 1 1 A 41 41 SER CA C 41 60.133 61.140 -1.007 1
1 417 . 7 1 1 A 41 41 SER HA H 41 4.348 4.212 0.136 1
1 418 . 7 1 1 A 41 41 SER CB C 41 62.986 62.956 0.030 1
1 420 . 7 1 1 A 41 41 SER C C 41 174.885 175.827 -0.942 1
1 422 . 7 1 1 A 42 42 ASP N N 42 119.471 119.149 0.322 1
1 423 . 7 1 1 A 42 42 ASP H H 42 7.835 7.911 -0.076 1
1 424 . 7 1 1 A 42 42 ASP CA C 42 54.713 55.741 -1.028 1
1 425 . 7 1 1 A 42 42 ASP HA H 42 4.933 4.671 0.262 1
1 426 . 7 1 1 A 42 42 ASP CB C 42 42.479 41.936 0.543 1
1 428 . 7 1 1 A 42 42 ASP C C 42 175.586 176.775 -1.189 1
1 430 . 7 1 1 A 43 43 MET N N 43 119.155 119.394 -0.239 1
1 431 . 7 1 1 A 43 43 MET H H 43 7.549 7.987 -0.438 1
1 432 . 7 1 1 A 43 43 MET CA C 43 54.927 55.429 -0.502 1
1 433 . 7 1 1 A 43 43 MET HA H 43 5.359 4.714 0.645 1
1 434 . 7 1 1 A 43 43 MET CB C 43 37.158 33.742 3.416 1
1 442 . 7 1 1 A 43 43 MET C C 43 174.894 175.103 -0.209 1
1 445 . 7 1 1 A 44 44 SER N N 44 114.070 115.371 -1.301 1
1 446 . 7 1 1 A 44 44 SER H H 44 8.739 8.240 0.499 1
1 447 . 7 1 1 A 44 44 SER CA C 44 56.937 57.582 -0.645 1
1 448 . 7 1 1 A 44 44 SER HA H 44 4.700 5.117 -0.417 1
1 449 . 7 1 1 A 44 44 SER CB C 44 66.247 66.199 0.048 1
1 451 . 7 1 1 A 44 44 SER C C 44 172.764 173.143 -0.379 1
1 453 . 7 1 1 A 45 45 ALA N N 45 126.192 126.190 0.002 1
1 454 . 7 1 1 A 45 45 ALA H H 45 9.123 8.673 0.450 1
1 455 . 7 1 1 A 45 45 ALA CA C 45 50.378 51.121 -0.743 1
1 456 . 7 1 1 A 45 45 ALA HA H 45 5.741 5.428 0.313 1
1 457 . 7 1 1 A 45 45 ALA CB C 45 23.330 22.236 1.094 1
1 461 . 7 1 1 A 45 45 ALA C C 45 175.089 175.345 -0.256 1
1 462 . 7 1 1 A 46 46 HIS N N 46 119.075 118.540 0.535 1
1 463 . 7 1 1 A 46 46 HIS H H 46 8.701 8.772 -0.071 1
1 464 . 7 1 1 A 46 46 HIS CA C 46 55.999 54.806 1.193 1
1 465 . 7 1 1 A 46 46 HIS HA H 46 5.157 5.017 0.140 1
1 466 . 7 1 1 A 46 46 HIS CB C 46 34.239 33.615 0.624 1
1 472 . 7 1 1 A 46 46 HIS C C 46 174.155 173.835 0.320 1
1 474 . 7 1 1 A 47 47 VAL N N 47 125.059 123.997 1.062 1
1 475 . 7 1 1 A 47 47 VAL H H 47 9.488 8.336 1.152 1
1 476 . 7 1 1 A 47 47 VAL CA C 47 60.604 62.725 -2.121 1
1 477 . 7 1 1 A 47 47 VAL HA H 47 4.730 4.256 0.474 1
1 478 . 7 1 1 A 47 47 VAL CB C 47 33.769 31.851 1.918 1
1 488 . 7 1 1 A 47 47 VAL C C 47 175.126 175.789 -0.663 1
1 489 . 7 1 1 A 48 48 THR N N 48 124.473 123.625 0.848 1
1 490 . 7 1 1 A 48 48 THR H H 48 9.432 8.989 0.443 1
1 491 . 7 1 1 A 48 48 THR CA C 48 61.766 61.858 -0.092 1
1 492 . 7 1 1 A 48 48 THR HA H 48 5.164 4.653 0.511 1
1 493 . 7 1 1 A 48 48 THR CB C 48 69.384 70.394 -1.010 1
1 499 . 7 1 1 A 48 48 THR C C 48 174.573 174.112 0.461 1
1 500 . 7 1 1 A 49 49 SER N N 49 125.657 119.990 5.667 1
1 501 . 7 1 1 A 49 49 SER H H 49 9.043 9.048 -0.005 1
1 502 . 7 1 1 A 49 49 SER CA C 49 56.638 56.039 0.599 1
1 503 . 7 1 1 A 49 49 SER HA H 49 4.225 4.736 -0.511 1
1 504 . 7 1 1 A 49 49 SER CB C 49 62.948 64.120 -1.172 1
1 506 . 7 1 1 A 49 49 SER C C 49 174.034 174.322 -0.288 1
1 508 . 7 1 1 A 50 50 PRO CA C 50 65.784 64.059 1.725 1
1 509 . 7 1 1 A 50 50 PRO HA H 50 4.260 4.471 -0.211 1
1 510 . 7 1 1 A 50 50 PRO CB C 50 31.493 31.624 -0.131 1
1 516 . 7 1 1 A 50 50 PRO C C 50 177.687 176.899 0.788 1
1 520 . 7 1 1 A 51 51 SER N N 51 110.322 111.364 -1.042 1
1 521 . 7 1 1 A 51 51 SER H H 51 8.349 7.722 0.627 1
1 522 . 7 1 1 A 51 51 SER CA C 51 59.076 58.457 0.619 1
1 523 . 7 1 1 A 51 51 SER HA H 51 4.332 4.561 -0.229 1
1 524 . 7 1 1 A 51 51 SER CB C 51 62.825 65.319 -2.494 1
1 526 . 7 1 1 A 51 51 SER C C 51 175.363 175.061 0.302 1
1 528 . 7 1 1 A 52 52 GLY N N 52 111.132 109.437 1.695 1
1 529 . 7 1 1 A 52 52 GLY H H 52 8.289 7.754 0.535 1
1 530 . 7 1 1 A 52 52 GLY CA C 52 44.831 45.242 -0.411 1
1 531 . 7 1 1 A 52 52 GLY HA3 H 52 4.302 3.996 0.306 1
1 532 . 7 1 1 A 52 52 GLY C C 52 174.002 174.667 -0.665 1
1 533 . 7 1 1 A 52 52 GLY HA2 H 52 3.421 3.993 -0.572 1
1 534 . 7 1 1 A 53 53 ARG N N 53 121.515 120.579 0.936 1
1 535 . 7 1 1 A 53 53 ARG H H 53 7.322 7.271 0.051 1
1 536 . 7 1 1 A 53 53 ARG CA C 53 56.749 56.699 0.050 1
1 537 . 7 1 1 A 53 53 ARG HA H 53 4.222 4.322 -0.100 1
1 538 . 7 1 1 A 53 53 ARG CB C 53 30.430 31.563 -1.133 1
1 544 . 7 1 1 A 53 53 ARG C C 53 176.023 175.035 0.988 1
1 548 . 7 1 1 A 54 54 VAL N N 54 128.383 121.706 6.677 1
1 549 . 7 1 1 A 54 54 VAL H H 54 8.780 8.551 0.229 1
1 550 . 7 1 1 A 54 54 VAL CA C 54 61.533 60.684 0.849 1
1 551 . 7 1 1 A 54 54 VAL HA H 54 5.243 4.977 0.266 1
1 552 . 7 1 1 A 54 54 VAL CB C 54 33.205 35.829 -2.624 1
1 562 . 7 1 1 A 54 54 VAL C C 54 176.783 174.867 1.916 1
1 563 . 7 1 1 A 55 55 THR N N 55 121.757 123.110 -1.353 1
1 564 . 7 1 1 A 55 55 THR H H 55 9.188 9.117 0.071 1
1 565 . 7 1 1 A 55 55 THR CA C 55 60.216 60.371 -0.155 1
1 566 . 7 1 1 A 55 55 THR HA H 55 4.751 5.004 -0.253 1
1 567 . 7 1 1 A 55 55 THR CB C 55 71.896 72.112 -0.216 1
1 573 . 7 1 1 A 55 55 THR C C 55 173.454 172.917 0.537 1
1 574 . 7 1 1 A 56 56 GLU N N 56 125.373 123.666 1.707 1
1 575 . 7 1 1 A 56 56 GLU H H 56 8.927 8.894 0.033 1
1 576 . 7 1 1 A 56 56 GLU CA C 56 57.019 55.024 1.995 1
1 577 . 7 1 1 A 56 56 GLU HA H 56 4.365 5.050 -0.685 1
1 578 . 7 1 1 A 56 56 GLU CB C 56 30.230 32.309 -2.079 1
1 582 . 7 1 1 A 56 56 GLU C C 56 175.556 175.350 0.206 1
1 585 . 7 1 1 A 57 57 ALA N N 57 128.204 129.649 -1.445 1
1 586 . 7 1 1 A 57 57 ALA H H 57 8.201 8.698 -0.497 1
1 587 . 7 1 1 A 57 57 ALA CA C 57 50.068 49.972 0.096 1
1 588 . 7 1 1 A 57 57 ALA HA H 57 4.827 5.300 -0.473 1
1 589 . 7 1 1 A 57 57 ALA CB C 57 21.531 21.840 -0.309 1
1 593 . 7 1 1 A 57 57 ALA C C 57 175.178 175.629 -0.451 1
1 594 . 7 1 1 A 58 58 GLU N N 58 120.950 121.564 -0.614 1
1 595 . 7 1 1 A 58 58 GLU H H 58 8.202 8.644 -0.442 1
1 596 . 7 1 1 A 58 58 GLU CA C 58 55.505 55.491 0.014 1
1 597 . 7 1 1 A 58 58 GLU HA H 58 4.509 4.844 -0.335 1
1 598 . 7 1 1 A 58 58 GLU CB C 58 32.301 31.312 0.989 1
1 602 . 7 1 1 A 58 58 GLU C C 58 175.025 175.591 -0.566 1
1 605 . 7 1 1 A 59 59 ILE N N 59 122.574 126.916 -4.342 1
1 606 . 7 1 1 A 59 59 ILE H H 59 8.578 8.910 -0.332 1
1 607 . 7 1 1 A 59 59 ILE CA C 59 60.355 60.218 0.137 1
1 608 . 7 1 1 A 59 59 ILE HA H 59 4.954 4.594 0.360 1
1 609 . 7 1 1 A 59 59 ILE CB C 59 38.374 38.018 0.356 1
1 621 . 7 1 1 A 59 59 ILE C C 59 175.709 175.590 0.119 1
1 623 . 7 1 1 A 60 60 VAL N N 60 129.074 128.649 0.425 1
1 624 . 7 1 1 A 60 60 VAL H H 60 9.543 8.366 1.177 1
1 625 . 7 1 1 A 60 60 VAL CA C 60 58.472 61.047 -2.575 1
1 626 . 7 1 1 A 60 60 VAL HA H 60 4.737 4.169 0.568 1
1 627 . 7 1 1 A 60 60 VAL CB C 60 34.522 32.368 2.154 1
1 637 . 7 1 1 A 60 60 VAL C C 60 174.024 174.616 -0.592 1
1 638 . 7 1 1 A 61 61 PRO CA C 61 63.313 62.392 0.921 1
1 639 . 7 1 1 A 61 61 PRO HA H 61 4.611 4.607 0.004 1
1 640 . 7 1 1 A 61 61 PRO CB C 61 32.270 31.506 0.764 1
1 646 . 7 1 1 A 61 61 PRO C C 61 177.388 176.634 0.754 1
1 650 . 7 1 1 A 62 62 MET N N 62 122.153 121.147 1.006 1
1 651 . 7 1 1 A 62 62 MET H H 62 7.843 8.884 -1.041 1
1 652 . 7 1 1 A 62 62 MET CA C 62 53.470 57.896 -4.426 1
1 653 . 7 1 1 A 62 62 MET HA H 62 4.765 4.332 0.433 1
1 654 . 7 1 1 A 62 62 MET CB C 62 33.144 32.965 0.179 1
1 662 . 7 1 1 A 62 62 MET C C 62 175.742 176.483 -0.741 1
1 665 . 7 1 1 A 63 63 GLY N N 63 109.196 103.337 5.859 1
1 666 . 7 1 1 A 63 63 GLY H H 63 7.757 7.240 0.517 1
1 667 . 7 1 1 A 63 63 GLY CA C 63 44.092 45.876 -1.784 1
1 668 . 7 1 1 A 63 63 GLY HA3 H 63 4.193 4.045 0.148 1
1 669 . 7 1 1 A 63 63 GLY C C 63 173.451 172.610 0.841 1
1 670 . 7 1 1 A 63 63 GLY HA2 H 63 3.757 4.036 -0.279 1
1 671 . 7 1 1 A 64 64 LYS CA C 64 58.104 56.604 1.500 1
1 672 . 7 1 1 A 64 64 LYS HA H 64 3.994 4.180 -0.186 1
1 673 . 7 1 1 A 64 64 LYS CB C 64 31.766 32.295 -0.529 1
1 681 . 7 1 1 A 64 64 LYS C C 64 177.657 176.664 0.993 1
1 686 . 7 1 1 A 65 65 ASN N N 65 117.648 120.496 -2.848 1
1 687 . 7 1 1 A 65 65 ASN H H 65 8.860 8.924 -0.064 1
1 688 . 7 1 1 A 65 65 ASN CA C 65 54.222 53.986 0.236 1
1 689 . 7 1 1 A 65 65 ASN HA H 65 4.587 4.467 0.120 1
1 690 . 7 1 1 A 65 65 ASN CB C 65 38.313 36.257 2.056 1
1 695 . 7 1 1 A 65 65 ASN C C 65 173.302 174.290 -0.988 1
1 697 . 7 1 1 A 66 66 SER N N 66 112.701 114.903 -2.202 1
1 698 . 7 1 1 A 66 66 SER H H 66 7.367 6.967 0.400 1
1 699 . 7 1 1 A 66 66 SER CA C 66 57.766 57.251 0.515 1
1 700 . 7 1 1 A 66 66 SER HA H 66 5.112 5.265 -0.153 1
1 701 . 7 1 1 A 66 66 SER CB C 66 65.000 65.844 -0.844 1
1 703 . 7 1 1 A 66 66 SER C C 66 172.793 172.835 -0.042 1
1 705 . 7 1 1 A 67 67 HIS N N 67 124.096 120.158 3.938 1
1 706 . 7 1 1 A 67 67 HIS H H 67 8.735 8.885 -0.150 1
1 707 . 7 1 1 A 67 67 HIS CA C 67 55.123 54.599 0.524 1
1 708 . 7 1 1 A 67 67 HIS HA H 67 4.975 4.984 -0.009 1
1 709 . 7 1 1 A 67 67 HIS CB C 67 34.914 33.783 1.131 1
1 715 . 7 1 1 A 67 67 HIS C C 67 173.884 173.673 0.211 1
1 717 . 7 1 1 A 68 68 CYS N N 68 122.598 121.434 1.164 1
1 718 . 7 1 1 A 68 68 CYS H H 68 9.333 8.351 0.982 1
1 719 . 7 1 1 A 68 68 CYS CA C 68 56.907 57.390 -0.483 1
1 720 . 7 1 1 A 68 68 CYS HA H 68 5.311 4.966 0.345 1
1 721 . 7 1 1 A 68 68 CYS CB C 68 29.314 30.518 -1.204 1
1 723 . 7 1 1 A 68 68 CYS C C 68 173.554 173.129 0.425 1
1 725 . 7 1 1 A 69 69 VAL N N 69 128.613 127.643 0.970 1
1 726 . 7 1 1 A 69 69 VAL H H 69 9.074 8.487 0.587 1
1 727 . 7 1 1 A 69 69 VAL CA C 69 61.632 61.405 0.227 1
1 728 . 7 1 1 A 69 69 VAL HA H 69 4.725 4.715 0.010 1
1 729 . 7 1 1 A 69 69 VAL CB C 69 32.387 33.292 -0.905 1
1 739 . 7 1 1 A 69 69 VAL C C 69 174.230 175.172 -0.942 1
1 740 . 7 1 1 A 70 70 ARG N N 70 128.053 125.320 2.733 1
1 741 . 7 1 1 A 70 70 ARG H H 70 9.052 9.049 0.003 1
1 742 . 7 1 1 A 70 70 ARG CA C 70 54.797 54.432 0.365 1
1 743 . 7 1 1 A 70 70 ARG HA H 70 5.761 5.175 0.586 1
1 744 . 7 1 1 A 70 70 ARG CB C 70 34.395 32.787 1.608 1
1 751 . 7 1 1 A 70 70 ARG C C 70 175.918 174.697 1.221 1
1 755 . 7 1 1 A 71 71 PHE N N 71 122.942 117.122 5.820 1
1 756 . 7 1 1 A 71 71 PHE H H 71 8.702 7.935 0.767 1
1 757 . 7 1 1 A 71 71 PHE CA C 71 55.748 56.203 -0.455 1
1 758 . 7 1 1 A 71 71 PHE HA H 71 4.936 5.113 -0.177 1
1 759 . 7 1 1 A 71 71 PHE CB C 71 41.245 40.896 0.349 1
1 771 . 7 1 1 A 71 71 PHE C C 71 171.709 172.137 -0.428 1
1 773 . 7 1 1 A 72 72 VAL N N 72 122.214 120.437 1.777 1
1 774 . 7 1 1 A 72 72 VAL H H 72 8.512 8.957 -0.445 1
1 775 . 7 1 1 A 72 72 VAL CA C 72 58.398 59.466 -1.068 1
1 776 . 7 1 1 A 72 72 VAL HA H 72 4.752 4.718 0.034 1
1 777 . 7 1 1 A 72 72 VAL CB C 72 32.747 32.212 0.535 1
1 787 . 7 1 1 A 72 72 VAL C C 72 174.416 175.163 -0.747 1
1 788 . 7 1 1 A 73 73 PRO CA C 73 62.606 62.706 -0.100 1
1 789 . 7 1 1 A 73 73 PRO HA H 73 4.646 5.069 -0.423 1
1 790 . 7 1 1 A 73 73 PRO CB C 73 33.679 29.791 3.888 1
1 796 . 7 1 1 A 73 73 PRO C C 73 176.757 175.635 1.122 1
1 800 . 7 1 1 A 74 74 GLN N N 74 119.992 118.215 1.777 1
1 801 . 7 1 1 A 74 74 GLN H H 74 9.869 8.333 1.536 1
1 802 . 7 1 1 A 74 74 GLN CA C 74 55.156 54.285 0.871 1
1 803 . 7 1 1 A 74 74 GLN HA H 74 4.602 5.325 -0.723 1
1 804 . 7 1 1 A 74 74 GLN CB C 74 31.405 30.517 0.888 1
1 811 . 7 1 1 A 74 74 GLN C C 74 174.987 174.472 0.515 1
1 814 . 7 1 1 A 75 75 GLU N N 75 119.264 123.142 -3.878 1
1 815 . 7 1 1 A 75 75 GLU H H 75 8.009 8.915 -0.906 1
1 816 . 7 1 1 A 75 75 GLU CA C 75 54.138 54.304 -0.166 1
1 817 . 7 1 1 A 75 75 GLU HA H 75 4.657 4.760 -0.103 1
1 818 . 7 1 1 A 75 75 GLU CB C 75 34.046 33.324 0.722 1
1 822 . 7 1 1 A 75 75 GLU C C 75 173.922 176.058 -2.136 1
1 825 . 7 1 1 A 76 76 MET N N 76 117.176 119.259 -2.083 1
1 826 . 7 1 1 A 76 76 MET H H 76 8.450 8.638 -0.188 1
1 827 . 7 1 1 A 76 76 MET CA C 76 55.468 55.743 -0.275 1
1 828 . 7 1 1 A 76 76 MET HA H 76 4.275 4.804 -0.529 1
1 829 . 7 1 1 A 76 76 MET CB C 76 34.487 33.432 1.055 1
1 837 . 7 1 1 A 76 76 MET C C 76 175.964 175.842 0.122 1
1 840 . 7 1 1 A 77 77 GLY N N 77 106.906 106.674 0.232 1
1 841 . 7 1 1 A 77 77 GLY H H 77 9.058 7.627 1.431 1
1 842 . 7 1 1 A 77 77 GLY CA C 77 43.832 46.111 -2.279 1
1 843 . 7 1 1 A 77 77 GLY HA3 H 77 3.944 4.144 -0.200 1
1 844 . 7 1 1 A 77 77 GLY C C 77 176.459 171.945 4.514 1
1 845 . 7 1 1 A 77 77 GLY HA2 H 77 4.787 4.113 0.674 1
1 846 . 7 1 1 A 78 78 VAL N N 78 125.184 122.504 2.680 1
1 847 . 7 1 1 A 78 78 VAL H H 78 9.293 8.320 0.973 1
1 848 . 7 1 1 A 78 78 VAL CA C 78 64.999 61.678 3.321 1
1 849 . 7 1 1 A 78 78 VAL HA H 78 4.178 4.512 -0.334 1
1 850 . 7 1 1 A 78 78 VAL CB C 78 31.558 32.777 -1.219 1
1 860 . 7 1 1 A 78 78 VAL C C 78 175.942 174.790 1.152 1
1 861 . 7 1 1 A 79 79 HIS N N 79 128.345 124.560 3.785 1
1 862 . 7 1 1 A 79 79 HIS H H 79 9.553 8.659 0.894 1
1 863 . 7 1 1 A 79 79 HIS CA C 79 55.063 53.875 1.188 1
1 864 . 7 1 1 A 79 79 HIS HA H 79 4.798 5.568 -0.770 1
1 865 . 7 1 1 A 79 79 HIS CB C 79 31.489 32.365 -0.876 1
1 871 . 7 1 1 A 79 79 HIS C C 79 174.069 174.325 -0.256 1
1 873 . 7 1 1 A 80 80 THR N N 80 114.672 115.212 -0.540 1
1 874 . 7 1 1 A 80 80 THR H H 80 8.452 8.261 0.191 1
1 875 . 7 1 1 A 80 80 THR CA C 80 61.075 61.532 -0.457 1
1 876 . 7 1 1 A 80 80 THR HA H 80 5.213 4.945 0.268 1
1 877 . 7 1 1 A 80 80 THR CB C 80 70.795 71.922 -1.127 1
1 883 . 7 1 1 A 80 80 THR C C 80 173.863 172.982 0.881 1
1 884 . 7 1 1 A 81 81 VAL N N 81 127.546 128.917 -1.371 1
1 885 . 7 1 1 A 81 81 VAL H H 81 9.701 9.203 0.498 1
1 886 . 7 1 1 A 81 81 VAL CA C 81 60.799 62.236 -1.437 1
1 887 . 7 1 1 A 81 81 VAL HA H 81 4.782 4.432 0.350 1
1 888 . 7 1 1 A 81 81 VAL CB C 81 33.635 33.037 0.598 1
1 898 . 7 1 1 A 81 81 VAL C C 81 174.707 175.407 -0.700 1
1 899 . 7 1 1 A 82 82 SER N N 82 123.308 125.635 -2.327 1
1 900 . 7 1 1 A 82 82 SER H H 82 9.104 9.118 -0.014 1
1 901 . 7 1 1 A 82 82 SER CA C 82 56.981 58.151 -1.170 1
1 902 . 7 1 1 A 82 82 SER HA H 82 5.108 5.116 -0.008 1
1 903 . 7 1 1 A 82 82 SER CB C 82 64.728 62.862 1.866 1
1 905 . 7 1 1 A 82 82 SER C C 82 173.688 173.317 0.371 1
1 907 . 7 1 1 A 83 83 VAL N N 83 129.049 127.484 1.565 1
1 908 . 7 1 1 A 83 83 VAL H H 83 9.925 8.890 1.035 1
1 909 . 7 1 1 A 83 83 VAL CA C 83 61.669 61.604 0.065 1
1 910 . 7 1 1 A 83 83 VAL HA H 83 4.897 5.058 -0.161 1
1 911 . 7 1 1 A 83 83 VAL CB C 83 33.590 32.365 1.225 1
1 921 . 7 1 1 A 83 83 VAL C C 83 174.094 175.359 -1.265 1
1 922 . 7 1 1 A 84 84 LYS N N 84 123.792 126.881 -3.089 1
1 923 . 7 1 1 A 84 84 LYS H H 84 8.768 8.599 0.169 1
1 924 . 7 1 1 A 84 84 LYS CA C 84 54.435 54.698 -0.263 1
1 925 . 7 1 1 A 84 84 LYS HA H 84 5.153 4.828 0.325 1
1 926 . 7 1 1 A 84 84 LYS CB C 84 37.608 34.940 2.668 1
1 934 . 7 1 1 A 84 84 LYS C C 84 174.908 173.948 0.960 1
1 939 . 7 1 1 A 85 85 TYR N N 85 120.439 126.144 -5.705 1
1 940 . 7 1 1 A 85 85 TYR H H 85 8.926 9.250 -0.324 1
1 941 . 7 1 1 A 85 85 TYR CA C 85 56.005 57.579 -1.574 1
1 942 . 7 1 1 A 85 85 TYR HA H 85 4.938 4.876 0.062 1
1 943 . 7 1 1 A 85 85 TYR CB C 85 41.386 40.562 0.824 1
1 953 . 7 1 1 A 85 85 TYR C C 85 175.255 175.047 0.208 1
1 955 . 7 1 1 A 86 86 ARG N N 86 127.150 128.244 -1.094 1
1 956 . 7 1 1 A 86 86 ARG H H 86 9.115 9.488 -0.373 1
1 957 . 7 1 1 A 86 86 ARG CA C 86 57.122 56.879 0.243 1
1 958 . 7 1 1 A 86 86 ARG HA H 86 3.659 3.787 -0.128 1
1 959 . 7 1 1 A 86 86 ARG CB C 86 27.563 27.388 0.175 1
1 965 . 7 1 1 A 86 86 ARG C C 86 176.482 176.352 0.130 1
1 969 . 7 1 1 A 87 87 GLY N N 87 102.394 104.429 -2.035 1
1 970 . 7 1 1 A 87 87 GLY H H 87 8.564 8.571 -0.007 1
1 971 . 7 1 1 A 87 87 GLY CA C 87 45.388 45.824 -0.436 1
1 972 . 7 1 1 A 87 87 GLY HA3 H 87 4.099 3.796 0.303 1
1 973 . 7 1 1 A 87 87 GLY C C 87 173.631 173.689 -0.058 1
1 974 . 7 1 1 A 87 87 GLY HA2 H 87 3.460 3.782 -0.322 1
1 975 . 7 1 1 A 88 88 GLN N N 88 119.060 119.107 -0.047 1
1 976 . 7 1 1 A 88 88 GLN H H 88 7.665 7.785 -0.120 1
1 977 . 7 1 1 A 88 88 GLN CA C 88 53.265 54.333 -1.068 1
1 978 . 7 1 1 A 88 88 GLN HA H 88 4.749 4.715 0.034 1
1 979 . 7 1 1 A 88 88 GLN CB C 88 31.383 31.146 0.237 1
1 986 . 7 1 1 A 88 88 GLN C C 88 175.689 174.784 0.905 1
1 989 . 7 1 1 A 89 89 HIS N N 89 123.344 123.721 -0.377 1
1 990 . 7 1 1 A 89 89 HIS H H 89 8.789 8.623 0.166 1
1 991 . 7 1 1 A 89 89 HIS CA C 89 59.011 57.663 1.348 1
1 992 . 7 1 1 A 89 89 HIS HA H 89 4.546 4.595 -0.049 1
1 993 . 7 1 1 A 89 89 HIS CB C 89 32.365 30.300 2.065 1
1 999 . 7 1 1 A 89 89 HIS C C 89 178.152 176.114 2.038 1
1 1001 . 7 1 1 A 90 90 VAL N N 90 117.749 121.243 -3.494 1
1 1002 . 7 1 1 A 90 90 VAL H H 90 8.436 8.503 -0.067 1
1 1003 . 7 1 1 A 90 90 VAL CA C 90 60.473 61.740 -1.267 1
1 1004 . 7 1 1 A 90 90 VAL HA H 90 4.535 4.155 0.380 1
1 1005 . 7 1 1 A 90 90 VAL CB C 90 32.489 33.431 -0.942 1
1 1015 . 7 1 1 A 90 90 VAL C C 90 176.018 175.624 0.394 1
1 1016 . 7 1 1 A 91 91 THR N N 91 118.099 115.754 2.345 1
1 1017 . 7 1 1 A 91 91 THR H H 91 8.491 8.525 -0.034 1
1 1018 . 7 1 1 A 91 91 THR CA C 91 65.519 65.129 0.390 1
1 1019 . 7 1 1 A 91 91 THR HA H 91 3.924 3.797 0.127 1
1 1020 . 7 1 1 A 91 91 THR CB C 91 68.972 68.645 0.327 1
1 1026 . 7 1 1 A 91 91 THR C C 91 174.771 175.838 -1.067 1
1 1027 . 7 1 1 A 92 92 GLY N N 92 116.032 114.485 1.547 1
1 1028 . 7 1 1 A 92 92 GLY H H 92 8.563 8.984 -0.421 1
1 1029 . 7 1 1 A 92 92 GLY CA C 92 44.842 46.944 -2.102 1
1 1030 . 7 1 1 A 92 92 GLY HA3 H 92 4.213 3.909 0.304 1
1 1031 . 7 1 1 A 92 92 GLY C C 92 172.199 173.245 -1.046 1
1 1032 . 7 1 1 A 92 92 GLY HA2 H 92 3.361 3.797 -0.436 1
1 1033 . 7 1 1 A 93 93 SER N N 93 113.106 114.531 -1.425 1
1 1034 . 7 1 1 A 93 93 SER H H 93 7.806 7.126 0.680 1
1 1035 . 7 1 1 A 93 93 SER CA C 93 54.600 54.524 0.076 1
1 1036 . 7 1 1 A 93 93 SER HA H 93 4.159 4.148 0.011 1
1 1037 . 7 1 1 A 93 93 SER CB C 93 62.787 65.976 -3.189 1
1 1039 . 7 1 1 A 93 93 SER C C 93 174.123 171.826 2.297 1
1 1041 . 7 1 1 A 94 94 PRO CA C 94 62.619 62.339 0.280 1
1 1042 . 7 1 1 A 94 94 PRO HA H 94 5.537 4.465 1.072 1
1 1043 . 7 1 1 A 94 94 PRO CB C 94 34.521 32.386 2.135 1
1 1049 . 7 1 1 A 94 94 PRO C C 94 176.046 175.077 0.969 1
1 1053 . 7 1 1 A 95 95 PHE N N 95 120.547 119.709 0.838 1
1 1054 . 7 1 1 A 95 95 PHE H H 95 9.127 8.381 0.746 1
1 1055 . 7 1 1 A 95 95 PHE CA C 95 56.700 57.126 -0.426 1
1 1056 . 7 1 1 A 95 95 PHE HA H 95 4.844 5.045 -0.201 1
1 1057 . 7 1 1 A 95 95 PHE CB C 95 41.285 40.069 1.216 1
1 1069 . 7 1 1 A 95 95 PHE C C 95 175.219 175.288 -0.069 1
1 1071 . 7 1 1 A 96 96 GLN N N 96 120.382 125.505 -5.123 1
1 1072 . 7 1 1 A 96 96 GLN H H 96 8.896 9.012 -0.116 1
1 1073 . 7 1 1 A 96 96 GLN CA C 96 55.028 55.566 -0.538 1
1 1074 . 7 1 1 A 96 96 GLN HA H 96 5.440 4.761 0.679 1
1 1075 . 7 1 1 A 96 96 GLN CB C 96 31.867 29.925 1.942 1
1 1082 . 7 1 1 A 96 96 GLN C C 96 175.480 175.212 0.268 1
1 1085 . 7 1 1 A 97 97 PHE N N 97 121.331 121.038 0.293 1
1 1086 . 7 1 1 A 97 97 PHE H H 97 8.822 8.767 0.055 1
1 1087 . 7 1 1 A 97 97 PHE CA C 97 56.931 56.410 0.521 1
1 1088 . 7 1 1 A 97 97 PHE HA H 97 4.960 5.175 -0.215 1
1 1089 . 7 1 1 A 97 97 PHE CB C 97 42.133 41.773 0.360 1
1 1101 . 7 1 1 A 97 97 PHE C C 97 173.780 172.342 1.438 1
1 1103 . 7 1 1 A 98 98 THR N N 98 121.160 117.206 3.954 1
1 1104 . 7 1 1 A 98 98 THR H H 98 8.907 8.922 -0.015 1
1 1105 . 7 1 1 A 98 98 THR CA C 98 63.381 62.008 1.373 1
1 1106 . 7 1 1 A 98 98 THR HA H 98 4.487 4.747 -0.260 1
1 1107 . 7 1 1 A 98 98 THR CB C 98 69.599 69.920 -0.321 1
1 1113 . 7 1 1 A 98 98 THR C C 98 173.058 174.081 -1.023 1
1 1114 . 7 1 1 A 99 99 VAL N N 99 128.111 125.608 2.503 1
1 1115 . 7 1 1 A 99 99 VAL H H 99 8.240 8.750 -0.510 1
1 1116 . 7 1 1 A 99 99 VAL CA C 99 61.670 60.640 1.030 1
1 1117 . 7 1 1 A 99 99 VAL HA H 99 4.271 4.825 -0.554 1
1 1118 . 7 1 1 A 99 99 VAL CB C 99 32.962 34.230 -1.268 1
1 1128 . 7 1 1 A 99 99 VAL C C 99 176.689 175.281 1.408 1
1 1129 . 7 1 1 A 100 100 GLY N N 100 118.412 114.799 3.613 1
1 1130 . 7 1 1 A 100 100 GLY H H 100 8.946 8.679 0.267 1
1 1131 . 7 1 1 A 100 100 GLY CA C 100 44.504 43.734 0.770 1
1 1132 . 7 1 1 A 100 100 GLY HA3 H 100 4.506 4.310 0.196 1
1 1133 . 7 1 1 A 100 100 GLY C C 100 170.474 172.955 -2.481 1
1 1134 . 7 1 1 A 100 100 GLY HA2 H 100 4.136 4.309 -0.173 1
1 1135 . 7 1 1 A 101 101 PRO CA C 101 62.588 62.318 0.270 1
1 1136 . 7 1 1 A 101 101 PRO HA H 101 4.525 4.611 -0.086 1
1 1137 . 7 1 1 A 101 101 PRO CB C 101 32.641 32.969 -0.328 1
1 1143 . 7 1 1 A 101 101 PRO C C 101 176.696 175.828 0.868 1
1 1147 . 7 1 1 A 102 102 LEU N N 102 121.326 122.060 -0.734 1
1 1148 . 7 1 1 A 102 102 LEU H H 102 8.374 8.406 -0.032 1
1 1149 . 7 1 1 A 102 102 LEU CA C 102 55.855 54.332 1.523 1
1 1150 . 7 1 1 A 102 102 LEU HA H 102 4.221 4.739 -0.518 1
1 1151 . 7 1 1 A 102 102 LEU CB C 102 42.652 42.554 0.098 1
1 1163 . 7 1 1 A 102 102 LEU C C 102 178.005 177.959 0.046 1
1 1165 . 7 1 1 A 103 103 GLY N N 103 110.870 108.723 2.147 1
1 1166 . 7 1 1 A 103 103 GLY H H 103 8.481 8.413 0.068 1
1 1167 . 7 1 1 A 103 103 GLY CA C 103 45.208 44.373 0.835 1
1 1168 . 7 1 1 A 103 103 GLY HA3 H 103 3.927 4.171 -0.244 1
1 1169 . 7 1 1 A 103 103 GLY C C 103 174.126 172.791 1.335 1
1 1170 . 7 1 1 A 103 103 GLY HA2 H 103 3.991 4.170 -0.179 1
1 1171 . 7 1 1 A 104 104 GLU N N 104 120.771 120.279 0.492 1
1 1172 . 7 1 1 A 104 104 GLU H H 104 8.308 8.697 -0.389 1
1 1173 . 7 1 1 A 104 104 GLU CA C 104 56.713 54.832 1.881 1
1 1174 . 7 1 1 A 104 104 GLU HA H 104 4.318 4.965 -0.647 1
1 1175 . 7 1 1 A 104 104 GLU CB C 104 30.470 33.125 -2.655 1
1 1179 . 7 1 1 A 104 104 GLU C C 104 177.052 175.099 1.953 1
1 1182 . 7 1 1 A 105 105 GLY N N 105 110.589 109.079 1.510 1
1 1183 . 7 1 1 A 105 105 GLY H H 105 8.546 8.237 0.309 1
1 1184 . 7 1 1 A 105 105 GLY CA C 105 45.256 43.989 1.267 1
1 1185 . 7 1 1 A 105 105 GLY HA3 H 105 3.925 4.189 -0.264 1
1 1186 . 7 1 1 A 105 105 GLY C C 105 173.795 174.005 -0.210 1
1 1187 . 7 1 1 A 105 105 GLY HA2 H 105 3.992 4.189 -0.197 1
1 1 . 8 1 1 A 7 7 GLY CA C 7 45.415 44.886 0.529 1
1 2 . 8 1 1 A 7 7 GLY HA3 H 7 3.972 4.045 -0.073 1
1 3 . 8 1 1 A 7 7 GLY C C 7 174.102 173.097 1.005 1
1 4 . 8 1 1 A 7 7 GLY HA2 H 7 3.972 4.045 -0.073 1
1 5 . 8 1 1 A 8 8 ARG N N 8 120.724 116.444 4.280 1
1 6 . 8 1 1 A 8 8 ARG H H 8 8.124 8.310 -0.186 1
1 7 . 8 1 1 A 8 8 ARG CA C 8 56.123 54.303 1.820 1
1 8 . 8 1 1 A 8 8 ARG HA H 8 4.363 4.950 -0.587 1
1 9 . 8 1 1 A 8 8 ARG CB C 8 30.881 32.919 -2.038 1
1 15 . 8 1 1 A 8 8 ARG C C 8 176.487 175.117 1.370 1
1 19 . 8 1 1 A 9 9 VAL N N 9 121.839 120.726 1.113 1
1 20 . 8 1 1 A 9 9 VAL H H 9 8.204 8.632 -0.428 1
1 21 . 8 1 1 A 9 9 VAL CA C 9 62.438 63.349 -0.911 1
1 22 . 8 1 1 A 9 9 VAL HA H 9 4.081 3.872 0.209 1
1 23 . 8 1 1 A 9 9 VAL CB C 9 32.773 31.358 1.415 1
1 33 . 8 1 1 A 9 9 VAL C C 9 176.204 175.752 0.452 1
1 34 . 8 1 1 A 10 10 LYS N N 10 125.552 127.347 -1.795 1
1 35 . 8 1 1 A 10 10 LYS H H 10 8.437 8.820 -0.383 1
1 36 . 8 1 1 A 10 10 LYS CA C 10 56.575 54.260 2.315 1
1 37 . 8 1 1 A 10 10 LYS HA H 10 4.280 4.897 -0.617 1
1 38 . 8 1 1 A 10 10 LYS CB C 10 33.046 35.623 -2.577 1
1 46 . 8 1 1 A 10 10 LYS C C 10 176.486 175.539 0.947 1
1 51 . 8 1 1 A 11 11 GLU N N 11 122.741 123.512 -0.771 1
1 52 . 8 1 1 A 11 11 GLU H H 11 8.490 9.091 -0.601 1
1 53 . 8 1 1 A 11 11 GLU CA C 11 56.717 54.822 1.895 1
1 54 . 8 1 1 A 11 11 GLU HA H 11 4.303 4.848 -0.545 1
1 55 . 8 1 1 A 11 11 GLU CB C 11 30.422 32.858 -2.436 1
1 59 . 8 1 1 A 11 11 GLU C C 11 176.428 175.499 0.929 1
1 62 . 8 1 1 A 12 12 SER N N 12 117.227 118.114 -0.887 1
1 63 . 8 1 1 A 12 12 SER H H 12 8.434 8.808 -0.374 1
1 64 . 8 1 1 A 12 12 SER CA C 12 58.340 58.093 0.247 1
1 65 . 8 1 1 A 12 12 SER HA H 12 4.477 5.021 -0.544 1
1 66 . 8 1 1 A 12 12 SER CB C 12 63.670 64.299 -0.629 1
1 68 . 8 1 1 A 12 12 SER C C 12 174.574 174.388 0.186 1
1 70 . 8 1 1 A 13 13 ILE N N 13 122.704 119.765 2.939 1
1 71 . 8 1 1 A 13 13 ILE H H 13 8.189 8.649 -0.460 1
1 72 . 8 1 1 A 13 13 ILE CA C 13 61.364 59.876 1.488 1
1 73 . 8 1 1 A 13 13 ILE HA H 13 4.270 4.499 -0.229 1
1 74 . 8 1 1 A 13 13 ILE CB C 13 38.870 37.877 0.993 1
1 86 . 8 1 1 A 13 13 ILE C C 13 176.445 176.324 0.121 1
1 88 . 8 1 1 A 14 14 THR N N 14 118.671 114.795 3.876 1
1 89 . 8 1 1 A 14 14 THR H H 14 8.265 7.659 0.606 1
1 90 . 8 1 1 A 14 14 THR CA C 14 62.080 60.317 1.763 1
1 91 . 8 1 1 A 14 14 THR HA H 14 4.338 4.600 -0.262 1
1 92 . 8 1 1 A 14 14 THR CB C 14 69.779 70.590 -0.811 1
1 98 . 8 1 1 A 14 14 THR C C 14 174.465 174.449 0.016 1
1 99 . 8 1 1 A 15 15 ARG N N 15 124.132 119.876 4.256 1
1 100 . 8 1 1 A 15 15 ARG H H 15 8.428 8.424 0.004 1
1 101 . 8 1 1 A 15 15 ARG CA C 15 56.221 54.924 1.297 1
1 102 . 8 1 1 A 15 15 ARG HA H 15 4.447 4.765 -0.318 1
1 103 . 8 1 1 A 15 15 ARG CB C 15 30.949 30.258 0.691 1
1 109 . 8 1 1 A 15 15 ARG C C 15 176.374 177.363 -0.989 1
1 113 . 8 1 1 A 16 16 THR N N 16 115.339 117.346 -2.007 1
1 114 . 8 1 1 A 16 16 THR H H 16 8.232 7.797 0.435 1
1 115 . 8 1 1 A 16 16 THR CA C 16 61.828 66.675 -4.847 1
1 116 . 8 1 1 A 16 16 THR HA H 16 4.389 3.979 0.410 1
1 117 . 8 1 1 A 16 16 THR CB C 16 69.896 68.590 1.306 1
1 123 . 8 1 1 A 16 16 THR C C 16 174.518 175.525 -1.007 1
1 124 . 8 1 1 A 17 17 SER N N 17 118.278 114.612 3.666 1
1 125 . 8 1 1 A 17 17 SER H H 17 8.331 8.046 0.285 1
1 126 . 8 1 1 A 17 17 SER CA C 17 58.326 59.766 -1.440 1
1 127 . 8 1 1 A 17 17 SER HA H 17 4.500 4.516 -0.016 1
1 128 . 8 1 1 A 17 17 SER CB C 17 63.918 63.163 0.755 1
1 130 . 8 1 1 A 17 17 SER C C 17 174.172 175.100 -0.928 1
1 132 . 8 1 1 A 18 18 ARG N N 18 122.935 121.315 1.620 1
1 133 . 8 1 1 A 18 18 ARG H H 18 8.376 8.782 -0.406 1
1 134 . 8 1 1 A 18 18 ARG CA C 18 55.772 55.734 0.038 1
1 135 . 8 1 1 A 18 18 ARG HA H 18 4.386 4.694 -0.308 1
1 136 . 8 1 1 A 18 18 ARG CB C 18 31.073 31.422 -0.349 1
1 142 . 8 1 1 A 18 18 ARG C C 18 175.493 175.791 -0.298 1
1 146 . 8 1 1 A 19 19 ALA N N 19 126.804 121.295 5.509 1
1 147 . 8 1 1 A 19 19 ALA H H 19 8.357 7.648 0.709 1
1 148 . 8 1 1 A 19 19 ALA CA C 19 50.553 49.706 0.847 1
1 149 . 8 1 1 A 19 19 ALA HA H 19 4.585 4.785 -0.200 1
1 150 . 8 1 1 A 19 19 ALA CB C 19 18.208 21.972 -3.764 1
1 154 . 8 1 1 A 19 19 ALA C C 19 175.408 174.240 1.168 1
1 155 . 8 1 1 A 20 20 PRO CA C 20 63.352 62.752 0.600 1
1 156 . 8 1 1 A 20 20 PRO HA H 20 4.455 4.755 -0.300 1
1 157 . 8 1 1 A 20 20 PRO CB C 20 32.196 31.605 0.591 1
1 163 . 8 1 1 A 20 20 PRO C C 20 176.846 175.952 0.894 1
1 167 . 8 1 1 A 21 21 SER N N 21 116.414 119.943 -3.529 1
1 168 . 8 1 1 A 21 21 SER H H 21 8.449 8.468 -0.019 1
1 169 . 8 1 1 A 21 21 SER CA C 21 58.507 58.101 0.406 1
1 170 . 8 1 1 A 21 21 SER HA H 21 4.475 4.870 -0.395 1
1 171 . 8 1 1 A 21 21 SER CB C 21 63.851 65.500 -1.649 1
1 173 . 8 1 1 A 21 21 SER C C 21 174.344 173.618 0.726 1
1 175 . 8 1 1 A 22 22 VAL N N 22 120.580 121.029 -0.449 1
1 176 . 8 1 1 A 22 22 VAL H H 22 8.110 8.590 -0.480 1
1 177 . 8 1 1 A 22 22 VAL CA C 22 61.788 60.280 1.508 1
1 178 . 8 1 1 A 22 22 VAL HA H 22 4.293 4.874 -0.581 1
1 179 . 8 1 1 A 22 22 VAL CB C 22 33.445 33.431 0.014 1
1 189 . 8 1 1 A 22 22 VAL C C 22 175.160 174.673 0.487 1
1 190 . 8 1 1 A 23 23 ALA N N 23 127.788 125.381 2.407 1
1 191 . 8 1 1 A 23 23 ALA H H 23 8.428 8.625 -0.197 1
1 192 . 8 1 1 A 23 23 ALA CA C 23 51.790 50.701 1.089 1
1 193 . 8 1 1 A 23 23 ALA HA H 23 4.594 5.052 -0.458 1
1 194 . 8 1 1 A 23 23 ALA CB C 23 21.050 22.166 -1.116 1
1 198 . 8 1 1 A 23 23 ALA C C 23 176.198 175.186 1.012 1
1 199 . 8 1 1 A 24 24 THR N N 24 115.139 118.056 -2.917 1
1 200 . 8 1 1 A 24 24 THR H H 24 8.338 8.825 -0.487 1
1 201 . 8 1 1 A 24 24 THR CA C 24 60.519 59.524 0.995 1
1 202 . 8 1 1 A 24 24 THR HA H 24 4.674 5.156 -0.482 1
1 203 . 8 1 1 A 24 24 THR CB C 24 72.048 71.129 0.919 1
1 209 . 8 1 1 A 24 24 THR C C 24 173.979 172.294 1.685 1
1 210 . 8 1 1 A 25 25 VAL N N 25 122.772 122.081 0.691 1
1 211 . 8 1 1 A 25 25 VAL H H 25 8.002 8.639 -0.637 1
1 212 . 8 1 1 A 25 25 VAL CA C 25 64.582 59.965 4.617 1
1 213 . 8 1 1 A 25 25 VAL HA H 25 3.280 4.581 -1.301 1
1 214 . 8 1 1 A 25 25 VAL CB C 25 32.102 33.867 -1.765 1
1 224 . 8 1 1 A 25 25 VAL C C 25 176.709 176.063 0.646 1
1 225 . 8 1 1 A 26 26 GLY N N 26 112.345 116.145 -3.800 1
1 226 . 8 1 1 A 26 26 GLY H H 26 8.344 8.781 -0.437 1
1 227 . 8 1 1 A 26 26 GLY CA C 26 45.534 46.582 -1.048 1
1 228 . 8 1 1 A 26 26 GLY HA3 H 26 4.166 3.959 0.207 1
1 229 . 8 1 1 A 26 26 GLY C C 26 173.701 173.389 0.312 1
1 230 . 8 1 1 A 26 26 GLY HA2 H 26 3.519 3.951 -0.432 1
1 231 . 8 1 1 A 27 27 SER N N 27 116.474 113.163 3.311 1
1 232 . 8 1 1 A 27 27 SER H H 27 7.738 7.636 0.102 1
1 233 . 8 1 1 A 27 27 SER CA C 27 57.264 57.362 -0.098 1
1 234 . 8 1 1 A 27 27 SER HA H 27 4.692 4.736 -0.044 1
1 235 . 8 1 1 A 27 27 SER CB C 27 65.270 64.853 0.417 1
1 237 . 8 1 1 A 27 27 SER C C 27 172.491 172.998 -0.507 1
1 239 . 8 1 1 A 28 28 ILE N N 28 122.052 124.880 -2.828 1
1 240 . 8 1 1 A 28 28 ILE H H 28 8.350 8.599 -0.249 1
1 241 . 8 1 1 A 28 28 ILE CA C 28 62.995 61.447 1.548 1
1 242 . 8 1 1 A 28 28 ILE HA H 28 3.693 4.076 -0.383 1
1 243 . 8 1 1 A 28 28 ILE CB C 28 38.221 36.871 1.350 1
1 255 . 8 1 1 A 28 28 ILE C C 28 175.624 174.903 0.721 1
1 257 . 8 1 1 A 29 29 CYS N N 29 129.493 127.069 2.424 1
1 258 . 8 1 1 A 29 29 CYS H H 29 8.730 8.377 0.353 1
1 259 . 8 1 1 A 29 29 CYS CA C 29 58.201 57.856 0.345 1
1 260 . 8 1 1 A 29 29 CYS HA H 29 4.451 4.876 -0.425 1
1 261 . 8 1 1 A 29 29 CYS CB C 29 28.560 29.166 -0.606 1
1 263 . 8 1 1 A 29 29 CYS C C 29 171.207 173.326 -2.119 1
1 265 . 8 1 1 A 30 30 ASP N N 30 123.789 124.960 -1.171 1
1 266 . 8 1 1 A 30 30 ASP H H 30 8.000 8.732 -0.732 1
1 267 . 8 1 1 A 30 30 ASP CA C 30 52.692 52.870 -0.178 1
1 268 . 8 1 1 A 30 30 ASP HA H 30 5.315 5.066 0.249 1
1 269 . 8 1 1 A 30 30 ASP CB C 30 43.397 41.624 1.773 1
1 271 . 8 1 1 A 30 30 ASP C C 30 175.569 174.412 1.157 1
1 273 . 8 1 1 A 31 31 LEU N N 31 125.116 126.605 -1.489 1
1 274 . 8 1 1 A 31 31 LEU H H 31 9.147 9.211 -0.064 1
1 275 . 8 1 1 A 31 31 LEU CA C 31 53.606 53.848 -0.242 1
1 276 . 8 1 1 A 31 31 LEU HA H 31 4.515 4.868 -0.353 1
1 277 . 8 1 1 A 31 31 LEU CB C 31 43.262 44.237 -0.975 1
1 289 . 8 1 1 A 31 31 LEU C C 31 174.935 174.688 0.247 1
1 291 . 8 1 1 A 32 32 ASN N N 32 124.687 125.622 -0.935 1
1 292 . 8 1 1 A 32 32 ASN H H 32 8.690 8.902 -0.212 1
1 293 . 8 1 1 A 32 32 ASN CA C 32 53.696 52.425 1.271 1
1 294 . 8 1 1 A 32 32 ASN HA H 32 5.077 5.203 -0.126 1
1 295 . 8 1 1 A 32 32 ASN CB C 32 39.842 40.163 -0.321 1
1 300 . 8 1 1 A 32 32 ASN C C 32 174.322 174.378 -0.056 1
1 302 . 8 1 1 A 33 33 LEU N N 33 123.838 124.297 -0.459 1
1 303 . 8 1 1 A 33 33 LEU H H 33 8.912 8.550 0.362 1
1 304 . 8 1 1 A 33 33 LEU CA C 33 53.820 53.558 0.262 1
1 305 . 8 1 1 A 33 33 LEU HA H 33 4.638 5.092 -0.454 1
1 306 . 8 1 1 A 33 33 LEU CB C 33 45.587 46.156 -0.569 1
1 318 . 8 1 1 A 33 33 LEU C C 33 175.719 175.344 0.375 1
1 320 . 8 1 1 A 34 34 LYS N N 34 124.925 120.138 4.787 1
1 321 . 8 1 1 A 34 34 LYS H H 34 8.718 8.667 0.051 1
1 322 . 8 1 1 A 34 34 LYS CA C 34 55.079 55.185 -0.106 1
1 323 . 8 1 1 A 34 34 LYS HA H 34 5.036 4.800 0.236 1
1 324 . 8 1 1 A 34 34 LYS CB C 34 32.121 32.913 -0.792 1
1 332 . 8 1 1 A 34 34 LYS C C 34 176.081 175.369 0.712 1
1 337 . 8 1 1 A 35 35 ILE N N 35 123.769 126.511 -2.742 1
1 338 . 8 1 1 A 35 35 ILE H H 35 7.935 8.504 -0.569 1
1 339 . 8 1 1 A 35 35 ILE CA C 35 58.161 57.392 0.769 1
1 340 . 8 1 1 A 35 35 ILE HA H 35 4.612 4.600 0.012 1
1 341 . 8 1 1 A 35 35 ILE CB C 35 40.616 40.688 -0.072 1
1 353 . 8 1 1 A 35 35 ILE C C 35 173.405 174.397 -0.992 1
1 355 . 8 1 1 A 36 36 PRO CA C 36 63.143 62.296 0.847 1
1 356 . 8 1 1 A 36 36 PRO HA H 36 4.435 4.597 -0.162 1
1 357 . 8 1 1 A 36 36 PRO CB C 36 32.806 33.299 -0.493 1
1 363 . 8 1 1 A 36 36 PRO C C 36 176.844 176.970 -0.126 1
1 367 . 8 1 1 A 37 37 GLU N N 37 114.188 119.737 -5.549 1
1 368 . 8 1 1 A 37 37 GLU H H 37 8.358 8.741 -0.383 1
1 369 . 8 1 1 A 37 37 GLU CA C 37 59.038 59.450 -0.412 1
1 370 . 8 1 1 A 37 37 GLU HA H 37 3.916 3.996 -0.080 1
1 371 . 8 1 1 A 37 37 GLU CB C 37 28.206 29.357 -1.151 1
1 375 . 8 1 1 A 37 37 GLU C C 37 175.996 177.651 -1.655 1
1 378 . 8 1 1 A 38 38 ILE N N 38 118.733 122.850 -4.117 1
1 379 . 8 1 1 A 38 38 ILE H H 38 7.679 7.418 0.261 1
1 380 . 8 1 1 A 38 38 ILE CA C 38 60.711 62.277 -1.566 1
1 381 . 8 1 1 A 38 38 ILE HA H 38 4.029 3.912 0.117 1
1 382 . 8 1 1 A 38 38 ILE CB C 38 40.278 37.861 2.417 1
1 394 . 8 1 1 A 38 38 ILE C C 38 175.255 176.420 -1.165 1
1 396 . 8 1 1 A 39 39 ASN H H 39 8.593 8.636 -0.043 1
1 397 . 8 1 1 A 39 39 ASN CA C 39 52.929 53.303 -0.374 1
1 398 . 8 1 1 A 39 39 ASN HA H 39 4.921 4.898 0.023 1
1 399 . 8 1 1 A 39 39 ASN CB C 39 39.419 39.816 -0.397 1
1 404 . 8 1 1 A 39 39 ASN C C 39 176.891 176.403 0.488 1
1 406 . 8 1 1 A 40 40 SER N N 40 120.676 116.070 4.606 1
1 407 . 8 1 1 A 40 40 SER H H 40 8.995 8.582 0.413 1
1 408 . 8 1 1 A 40 40 SER CA C 40 62.318 60.089 2.229 1
1 409 . 8 1 1 A 40 40 SER HA H 40 4.058 4.131 -0.073 1
1 410 . 8 1 1 A 40 40 SER CB C 40 63.297 63.725 -0.428 1
1 412 . 8 1 1 A 40 40 SER C C 40 176.866 176.398 0.468 1
1 414 . 8 1 1 A 41 41 SER N N 41 112.249 116.474 -4.225 1
1 415 . 8 1 1 A 41 41 SER H H 41 8.253 8.081 0.172 1
1 416 . 8 1 1 A 41 41 SER CA C 41 60.133 61.414 -1.281 1
1 417 . 8 1 1 A 41 41 SER HA H 41 4.348 4.316 0.032 1
1 418 . 8 1 1 A 41 41 SER CB C 41 62.986 62.876 0.110 1
1 420 . 8 1 1 A 41 41 SER C C 41 174.885 175.271 -0.386 1
1 422 . 8 1 1 A 42 42 ASP N N 42 119.471 119.581 -0.110 1
1 423 . 8 1 1 A 42 42 ASP H H 42 7.835 7.855 -0.020 1
1 424 . 8 1 1 A 42 42 ASP CA C 42 54.713 55.026 -0.313 1
1 425 . 8 1 1 A 42 42 ASP HA H 42 4.933 4.713 0.220 1
1 426 . 8 1 1 A 42 42 ASP CB C 42 42.479 42.023 0.456 1
1 428 . 8 1 1 A 42 42 ASP C C 42 175.586 176.351 -0.765 1
1 430 . 8 1 1 A 43 43 MET N N 43 119.155 119.195 -0.040 1
1 431 . 8 1 1 A 43 43 MET H H 43 7.549 8.014 -0.465 1
1 432 . 8 1 1 A 43 43 MET CA C 43 54.927 54.895 0.032 1
1 433 . 8 1 1 A 43 43 MET HA H 43 5.359 4.682 0.677 1
1 434 . 8 1 1 A 43 43 MET CB C 43 37.158 33.623 3.535 1
1 442 . 8 1 1 A 43 43 MET C C 43 174.894 175.253 -0.359 1
1 445 . 8 1 1 A 44 44 SER N N 44 114.070 116.016 -1.946 1
1 446 . 8 1 1 A 44 44 SER H H 44 8.739 8.175 0.564 1
1 447 . 8 1 1 A 44 44 SER CA C 44 56.937 57.725 -0.788 1
1 448 . 8 1 1 A 44 44 SER HA H 44 4.700 5.119 -0.419 1
1 449 . 8 1 1 A 44 44 SER CB C 44 66.247 65.540 0.707 1
1 451 . 8 1 1 A 44 44 SER C C 44 172.764 173.118 -0.354 1
1 453 . 8 1 1 A 45 45 ALA N N 45 126.192 128.582 -2.390 1
1 454 . 8 1 1 A 45 45 ALA H H 45 9.123 8.951 0.172 1
1 455 . 8 1 1 A 45 45 ALA CA C 45 50.378 49.900 0.478 1
1 456 . 8 1 1 A 45 45 ALA HA H 45 5.741 5.561 0.180 1
1 457 . 8 1 1 A 45 45 ALA CB C 45 23.330 22.692 0.638 1
1 461 . 8 1 1 A 45 45 ALA C C 45 175.089 175.600 -0.511 1
1 462 . 8 1 1 A 46 46 HIS N N 46 119.075 117.639 1.436 1
1 463 . 8 1 1 A 46 46 HIS H H 46 8.701 8.503 0.198 1
1 464 . 8 1 1 A 46 46 HIS CA C 46 55.999 54.681 1.318 1
1 465 . 8 1 1 A 46 46 HIS HA H 46 5.157 5.013 0.144 1
1 466 . 8 1 1 A 46 46 HIS CB C 46 34.239 33.620 0.619 1
1 472 . 8 1 1 A 46 46 HIS C C 46 174.155 173.894 0.261 1
1 474 . 8 1 1 A 47 47 VAL N N 47 125.059 123.313 1.746 1
1 475 . 8 1 1 A 47 47 VAL H H 47 9.488 8.605 0.883 1
1 476 . 8 1 1 A 47 47 VAL CA C 47 60.604 61.916 -1.312 1
1 477 . 8 1 1 A 47 47 VAL HA H 47 4.730 4.487 0.243 1
1 478 . 8 1 1 A 47 47 VAL CB C 47 33.769 31.971 1.798 1
1 488 . 8 1 1 A 47 47 VAL C C 47 175.126 175.631 -0.505 1
1 489 . 8 1 1 A 48 48 THR N N 48 124.473 123.663 0.810 1
1 490 . 8 1 1 A 48 48 THR H H 48 9.432 9.134 0.298 1
1 491 . 8 1 1 A 48 48 THR CA C 48 61.766 62.728 -0.962 1
1 492 . 8 1 1 A 48 48 THR HA H 48 5.164 4.460 0.704 1
1 493 . 8 1 1 A 48 48 THR CB C 48 69.384 69.591 -0.207 1
1 499 . 8 1 1 A 48 48 THR C C 48 174.573 174.271 0.302 1
1 500 . 8 1 1 A 49 49 SER N N 49 125.657 121.569 4.088 1
1 501 . 8 1 1 A 49 49 SER H H 49 9.043 9.155 -0.112 1
1 502 . 8 1 1 A 49 49 SER CA C 49 56.638 56.566 0.072 1
1 503 . 8 1 1 A 49 49 SER HA H 49 4.225 4.661 -0.436 1
1 504 . 8 1 1 A 49 49 SER CB C 49 62.948 63.523 -0.575 1
1 506 . 8 1 1 A 49 49 SER C C 49 174.034 174.209 -0.175 1
1 508 . 8 1 1 A 50 50 PRO CA C 50 65.784 64.057 1.727 1
1 509 . 8 1 1 A 50 50 PRO HA H 50 4.260 4.459 -0.199 1
1 510 . 8 1 1 A 50 50 PRO CB C 50 31.493 31.523 -0.030 1
1 516 . 8 1 1 A 50 50 PRO C C 50 177.687 176.997 0.690 1
1 520 . 8 1 1 A 51 51 SER N N 51 110.322 110.863 -0.541 1
1 521 . 8 1 1 A 51 51 SER H H 51 8.349 7.635 0.714 1
1 522 . 8 1 1 A 51 51 SER CA C 51 59.076 58.187 0.889 1
1 523 . 8 1 1 A 51 51 SER HA H 51 4.332 4.567 -0.235 1
1 524 . 8 1 1 A 51 51 SER CB C 51 62.825 65.278 -2.453 1
1 526 . 8 1 1 A 51 51 SER C C 51 175.363 175.197 0.166 1
1 528 . 8 1 1 A 52 52 GLY N N 52 111.132 110.210 0.922 1
1 529 . 8 1 1 A 52 52 GLY H H 52 8.289 7.834 0.455 1
1 530 . 8 1 1 A 52 52 GLY CA C 52 44.831 45.093 -0.262 1
1 531 . 8 1 1 A 52 52 GLY HA3 H 52 4.302 4.009 0.293 1
1 532 . 8 1 1 A 52 52 GLY C C 52 174.002 174.458 -0.456 1
1 533 . 8 1 1 A 52 52 GLY HA2 H 52 3.421 4.005 -0.584 1
1 534 . 8 1 1 A 53 53 ARG N N 53 121.515 120.608 0.907 1
1 535 . 8 1 1 A 53 53 ARG H H 53 7.322 7.698 -0.376 1
1 536 . 8 1 1 A 53 53 ARG CA C 53 56.749 56.765 -0.016 1
1 537 . 8 1 1 A 53 53 ARG HA H 53 4.222 4.330 -0.108 1
1 538 . 8 1 1 A 53 53 ARG CB C 53 30.430 31.234 -0.804 1
1 544 . 8 1 1 A 53 53 ARG C C 53 176.023 174.995 1.028 1
1 548 . 8 1 1 A 54 54 VAL N N 54 128.383 124.062 4.321 1
1 549 . 8 1 1 A 54 54 VAL H H 54 8.780 8.830 -0.050 1
1 550 . 8 1 1 A 54 54 VAL CA C 54 61.533 61.226 0.307 1
1 551 . 8 1 1 A 54 54 VAL HA H 54 5.243 4.825 0.418 1
1 552 . 8 1 1 A 54 54 VAL CB C 54 33.205 34.117 -0.912 1
1 562 . 8 1 1 A 54 54 VAL C C 54 176.783 174.849 1.934 1
1 563 . 8 1 1 A 55 55 THR N N 55 121.757 121.745 0.012 1
1 564 . 8 1 1 A 55 55 THR H H 55 9.188 8.895 0.293 1
1 565 . 8 1 1 A 55 55 THR CA C 55 60.216 60.408 -0.192 1
1 566 . 8 1 1 A 55 55 THR HA H 55 4.751 5.025 -0.274 1
1 567 . 8 1 1 A 55 55 THR CB C 55 71.896 73.328 -1.432 1
1 573 . 8 1 1 A 55 55 THR C C 55 173.454 172.906 0.548 1
1 574 . 8 1 1 A 56 56 GLU N N 56 125.373 123.161 2.212 1
1 575 . 8 1 1 A 56 56 GLU H H 56 8.927 8.883 0.044 1
1 576 . 8 1 1 A 56 56 GLU CA C 56 57.019 54.498 2.521 1
1 577 . 8 1 1 A 56 56 GLU HA H 56 4.365 5.246 -0.881 1
1 578 . 8 1 1 A 56 56 GLU CB C 56 30.230 33.499 -3.269 1
1 582 . 8 1 1 A 56 56 GLU C C 56 175.556 174.724 0.832 1
1 585 . 8 1 1 A 57 57 ALA N N 57 128.204 126.491 1.713 1
1 586 . 8 1 1 A 57 57 ALA H H 57 8.201 8.419 -0.218 1
1 587 . 8 1 1 A 57 57 ALA CA C 57 50.068 50.120 -0.052 1
1 588 . 8 1 1 A 57 57 ALA HA H 57 4.827 5.330 -0.503 1
1 589 . 8 1 1 A 57 57 ALA CB C 57 21.531 23.568 -2.037 1
1 593 . 8 1 1 A 57 57 ALA C C 57 175.178 174.799 0.379 1
1 594 . 8 1 1 A 58 58 GLU N N 58 120.950 119.943 1.007 1
1 595 . 8 1 1 A 58 58 GLU H H 58 8.202 8.877 -0.675 1
1 596 . 8 1 1 A 58 58 GLU CA C 58 55.505 55.221 0.284 1
1 597 . 8 1 1 A 58 58 GLU HA H 58 4.509 5.073 -0.564 1
1 598 . 8 1 1 A 58 58 GLU CB C 58 32.301 32.512 -0.211 1
1 602 . 8 1 1 A 58 58 GLU C C 58 175.025 175.305 -0.280 1
1 605 . 8 1 1 A 59 59 ILE N N 59 122.574 126.669 -4.095 1
1 606 . 8 1 1 A 59 59 ILE H H 59 8.578 9.061 -0.483 1
1 607 . 8 1 1 A 59 59 ILE CA C 59 60.355 60.226 0.129 1
1 608 . 8 1 1 A 59 59 ILE HA H 59 4.954 4.691 0.263 1
1 609 . 8 1 1 A 59 59 ILE CB C 59 38.374 37.869 0.505 1
1 621 . 8 1 1 A 59 59 ILE C C 59 175.709 175.541 0.168 1
1 623 . 8 1 1 A 60 60 VAL N N 60 129.074 128.444 0.630 1
1 624 . 8 1 1 A 60 60 VAL H H 60 9.543 8.718 0.825 1
1 625 . 8 1 1 A 60 60 VAL CA C 60 58.472 61.111 -2.639 1
1 626 . 8 1 1 A 60 60 VAL HA H 60 4.737 4.089 0.648 1
1 627 . 8 1 1 A 60 60 VAL CB C 60 34.522 32.424 2.098 1
1 637 . 8 1 1 A 60 60 VAL C C 60 174.024 174.806 -0.782 1
1 638 . 8 1 1 A 61 61 PRO CA C 61 63.313 62.284 1.029 1
1 639 . 8 1 1 A 61 61 PRO HA H 61 4.611 4.627 -0.016 1
1 640 . 8 1 1 A 61 61 PRO CB C 61 32.270 30.773 1.497 1
1 646 . 8 1 1 A 61 61 PRO C C 61 177.388 177.070 0.318 1
1 650 . 8 1 1 A 62 62 MET N N 62 122.153 121.630 0.523 1
1 651 . 8 1 1 A 62 62 MET H H 62 7.843 8.815 -0.972 1
1 652 . 8 1 1 A 62 62 MET CA C 62 53.470 58.375 -4.905 1
1 653 . 8 1 1 A 62 62 MET HA H 62 4.765 4.256 0.509 1
1 654 . 8 1 1 A 62 62 MET CB C 62 33.144 33.265 -0.121 1
1 662 . 8 1 1 A 62 62 MET C C 62 175.742 176.426 -0.684 1
1 665 . 8 1 1 A 63 63 GLY N N 63 109.196 103.359 5.837 1
1 666 . 8 1 1 A 63 63 GLY H H 63 7.757 7.269 0.488 1
1 667 . 8 1 1 A 63 63 GLY CA C 63 44.092 46.051 -1.959 1
1 668 . 8 1 1 A 63 63 GLY HA3 H 63 4.193 4.029 0.164 1
1 669 . 8 1 1 A 63 63 GLY C C 63 173.451 172.132 1.319 1
1 670 . 8 1 1 A 63 63 GLY HA2 H 63 3.757 4.022 -0.265 1
1 671 . 8 1 1 A 64 64 LYS CA C 64 58.104 56.218 1.886 1
1 672 . 8 1 1 A 64 64 LYS HA H 64 3.994 4.236 -0.242 1
1 673 . 8 1 1 A 64 64 LYS CB C 64 31.766 32.862 -1.096 1
1 681 . 8 1 1 A 64 64 LYS C C 64 177.657 176.463 1.194 1
1 686 . 8 1 1 A 65 65 ASN N N 65 117.648 120.664 -3.016 1
1 687 . 8 1 1 A 65 65 ASN H H 65 8.860 8.954 -0.094 1
1 688 . 8 1 1 A 65 65 ASN CA C 65 54.222 54.047 0.175 1
1 689 . 8 1 1 A 65 65 ASN HA H 65 4.587 4.620 -0.033 1
1 690 . 8 1 1 A 65 65 ASN CB C 65 38.313 36.261 2.052 1
1 695 . 8 1 1 A 65 65 ASN C C 65 173.302 174.124 -0.822 1
1 697 . 8 1 1 A 66 66 SER N N 66 112.701 114.807 -2.106 1
1 698 . 8 1 1 A 66 66 SER H H 66 7.367 7.362 0.005 1
1 699 . 8 1 1 A 66 66 SER CA C 66 57.766 57.303 0.463 1
1 700 . 8 1 1 A 66 66 SER HA H 66 5.112 5.142 -0.030 1
1 701 . 8 1 1 A 66 66 SER CB C 66 65.000 65.909 -0.909 1
1 703 . 8 1 1 A 66 66 SER C C 66 172.793 172.741 0.052 1
1 705 . 8 1 1 A 67 67 HIS N N 67 124.096 120.247 3.849 1
1 706 . 8 1 1 A 67 67 HIS H H 67 8.735 8.914 -0.179 1
1 707 . 8 1 1 A 67 67 HIS CA C 67 55.123 54.648 0.475 1
1 708 . 8 1 1 A 67 67 HIS HA H 67 4.975 4.936 0.039 1
1 709 . 8 1 1 A 67 67 HIS CB C 67 34.914 33.984 0.930 1
1 715 . 8 1 1 A 67 67 HIS C C 67 173.884 173.743 0.141 1
1 717 . 8 1 1 A 68 68 CYS N N 68 122.598 123.356 -0.758 1
1 718 . 8 1 1 A 68 68 CYS H H 68 9.333 8.842 0.491 1
1 719 . 8 1 1 A 68 68 CYS CA C 68 56.907 57.245 -0.338 1
1 720 . 8 1 1 A 68 68 CYS HA H 68 5.311 5.314 -0.003 1
1 721 . 8 1 1 A 68 68 CYS CB C 68 29.314 30.878 -1.564 1
1 723 . 8 1 1 A 68 68 CYS C C 68 173.554 173.188 0.366 1
1 725 . 8 1 1 A 69 69 VAL N N 69 128.613 126.331 2.282 1
1 726 . 8 1 1 A 69 69 VAL H H 69 9.074 8.993 0.081 1
1 727 . 8 1 1 A 69 69 VAL CA C 69 61.632 61.362 0.270 1
1 728 . 8 1 1 A 69 69 VAL HA H 69 4.725 5.126 -0.401 1
1 729 . 8 1 1 A 69 69 VAL CB C 69 32.387 34.535 -2.148 1
1 739 . 8 1 1 A 69 69 VAL C C 69 174.230 174.999 -0.769 1
1 740 . 8 1 1 A 70 70 ARG N N 70 128.053 126.188 1.865 1
1 741 . 8 1 1 A 70 70 ARG H H 70 9.052 8.751 0.301 1
1 742 . 8 1 1 A 70 70 ARG CA C 70 54.797 55.165 -0.368 1
1 743 . 8 1 1 A 70 70 ARG HA H 70 5.761 5.224 0.537 1
1 744 . 8 1 1 A 70 70 ARG CB C 70 34.395 31.614 2.781 1
1 751 . 8 1 1 A 70 70 ARG C C 70 175.918 175.442 0.476 1
1 755 . 8 1 1 A 71 71 PHE N N 71 122.942 117.113 5.829 1
1 756 . 8 1 1 A 71 71 PHE H H 71 8.702 8.051 0.651 1
1 757 . 8 1 1 A 71 71 PHE CA C 71 55.748 56.190 -0.442 1
1 758 . 8 1 1 A 71 71 PHE HA H 71 4.936 5.118 -0.182 1
1 759 . 8 1 1 A 71 71 PHE CB C 71 41.245 40.892 0.353 1
1 771 . 8 1 1 A 71 71 PHE C C 71 171.709 172.114 -0.405 1
1 773 . 8 1 1 A 72 72 VAL N N 72 122.214 120.574 1.640 1
1 774 . 8 1 1 A 72 72 VAL H H 72 8.512 8.891 -0.379 1
1 775 . 8 1 1 A 72 72 VAL CA C 72 58.398 59.355 -0.957 1
1 776 . 8 1 1 A 72 72 VAL HA H 72 4.752 4.578 0.174 1
1 777 . 8 1 1 A 72 72 VAL CB C 72 32.747 32.172 0.575 1
1 787 . 8 1 1 A 72 72 VAL C C 72 174.416 175.072 -0.656 1
1 788 . 8 1 1 A 73 73 PRO CA C 73 62.606 62.634 -0.028 1
1 789 . 8 1 1 A 73 73 PRO HA H 73 4.646 5.131 -0.485 1
1 790 . 8 1 1 A 73 73 PRO CB C 73 33.679 29.612 4.067 1
1 796 . 8 1 1 A 73 73 PRO C C 73 176.757 175.750 1.007 1
1 800 . 8 1 1 A 74 74 GLN N N 74 119.992 123.308 -3.316 1
1 801 . 8 1 1 A 74 74 GLN H H 74 9.869 8.859 1.010 1
1 802 . 8 1 1 A 74 74 GLN CA C 74 55.156 55.051 0.105 1
1 803 . 8 1 1 A 74 74 GLN HA H 74 4.602 5.056 -0.454 1
1 804 . 8 1 1 A 74 74 GLN CB C 74 31.405 30.421 0.984 1
1 811 . 8 1 1 A 74 74 GLN C C 74 174.987 175.248 -0.261 1
1 814 . 8 1 1 A 75 75 GLU N N 75 119.264 124.233 -4.969 1
1 815 . 8 1 1 A 75 75 GLU H H 75 8.009 8.991 -0.982 1
1 816 . 8 1 1 A 75 75 GLU CA C 75 54.138 54.299 -0.161 1
1 817 . 8 1 1 A 75 75 GLU HA H 75 4.657 4.818 -0.161 1
1 818 . 8 1 1 A 75 75 GLU CB C 75 34.046 33.055 0.991 1
1 822 . 8 1 1 A 75 75 GLU C C 75 173.922 175.875 -1.953 1
1 825 . 8 1 1 A 76 76 MET N N 76 117.176 119.221 -2.045 1
1 826 . 8 1 1 A 76 76 MET H H 76 8.450 8.628 -0.178 1
1 827 . 8 1 1 A 76 76 MET CA C 76 55.468 55.681 -0.213 1
1 828 . 8 1 1 A 76 76 MET HA H 76 4.275 4.845 -0.570 1
1 829 . 8 1 1 A 76 76 MET CB C 76 34.487 33.410 1.077 1
1 837 . 8 1 1 A 76 76 MET C C 76 175.964 176.063 -0.099 1
1 840 . 8 1 1 A 77 77 GLY N N 77 106.906 106.570 0.336 1
1 841 . 8 1 1 A 77 77 GLY H H 77 9.058 7.666 1.392 1
1 842 . 8 1 1 A 77 77 GLY CA C 77 43.832 46.086 -2.254 1
1 843 . 8 1 1 A 77 77 GLY HA3 H 77 3.944 4.160 -0.216 1
1 844 . 8 1 1 A 77 77 GLY C C 77 176.459 172.043 4.416 1
1 845 . 8 1 1 A 77 77 GLY HA2 H 77 4.787 4.125 0.662 1
1 846 . 8 1 1 A 78 78 VAL N N 78 125.184 122.628 2.556 1
1 847 . 8 1 1 A 78 78 VAL H H 78 9.293 8.332 0.961 1
1 848 . 8 1 1 A 78 78 VAL CA C 78 64.999 60.053 4.946 1
1 849 . 8 1 1 A 78 78 VAL HA H 78 4.178 4.692 -0.514 1
1 850 . 8 1 1 A 78 78 VAL CB C 78 31.558 33.560 -2.002 1
1 860 . 8 1 1 A 78 78 VAL C C 78 175.942 173.366 2.576 1
1 861 . 8 1 1 A 79 79 HIS N N 79 128.345 126.131 2.214 1
1 862 . 8 1 1 A 79 79 HIS H H 79 9.553 8.735 0.818 1
1 863 . 8 1 1 A 79 79 HIS CA C 79 55.063 54.535 0.528 1
1 864 . 8 1 1 A 79 79 HIS HA H 79 4.798 5.230 -0.432 1
1 865 . 8 1 1 A 79 79 HIS CB C 79 31.489 31.832 -0.343 1
1 871 . 8 1 1 A 79 79 HIS C C 79 174.069 174.197 -0.128 1
1 873 . 8 1 1 A 80 80 THR N N 80 114.672 115.913 -1.241 1
1 874 . 8 1 1 A 80 80 THR H H 80 8.452 8.202 0.250 1
1 875 . 8 1 1 A 80 80 THR CA C 80 61.075 61.624 -0.549 1
1 876 . 8 1 1 A 80 80 THR HA H 80 5.213 5.112 0.101 1
1 877 . 8 1 1 A 80 80 THR CB C 80 70.795 71.855 -1.060 1
1 883 . 8 1 1 A 80 80 THR C C 80 173.863 173.272 0.591 1
1 884 . 8 1 1 A 81 81 VAL N N 81 127.546 128.564 -1.018 1
1 885 . 8 1 1 A 81 81 VAL H H 81 9.701 9.371 0.330 1
1 886 . 8 1 1 A 81 81 VAL CA C 81 60.799 60.846 -0.047 1
1 887 . 8 1 1 A 81 81 VAL HA H 81 4.782 4.791 -0.009 1
1 888 . 8 1 1 A 81 81 VAL CB C 81 33.635 33.255 0.380 1
1 898 . 8 1 1 A 81 81 VAL C C 81 174.707 175.004 -0.297 1
1 899 . 8 1 1 A 82 82 SER N N 82 123.308 124.810 -1.502 1
1 900 . 8 1 1 A 82 82 SER H H 82 9.104 9.286 -0.182 1
1 901 . 8 1 1 A 82 82 SER CA C 82 56.981 58.226 -1.245 1
1 902 . 8 1 1 A 82 82 SER HA H 82 5.108 5.098 0.010 1
1 903 . 8 1 1 A 82 82 SER CB C 82 64.728 63.739 0.989 1
1 905 . 8 1 1 A 82 82 SER C C 82 173.688 174.006 -0.318 1
1 907 . 8 1 1 A 83 83 VAL N N 83 129.049 127.275 1.774 1
1 908 . 8 1 1 A 83 83 VAL H H 83 9.925 8.730 1.195 1
1 909 . 8 1 1 A 83 83 VAL CA C 83 61.669 61.341 0.328 1
1 910 . 8 1 1 A 83 83 VAL HA H 83 4.897 5.397 -0.500 1
1 911 . 8 1 1 A 83 83 VAL CB C 83 33.590 33.858 -0.268 1
1 921 . 8 1 1 A 83 83 VAL C C 83 174.094 175.273 -1.179 1
1 922 . 8 1 1 A 84 84 LYS N N 84 123.792 126.246 -2.454 1
1 923 . 8 1 1 A 84 84 LYS H H 84 8.768 8.659 0.109 1
1 924 . 8 1 1 A 84 84 LYS CA C 84 54.435 54.562 -0.127 1
1 925 . 8 1 1 A 84 84 LYS HA H 84 5.153 5.279 -0.126 1
1 926 . 8 1 1 A 84 84 LYS CB C 84 37.608 36.858 0.750 1
1 934 . 8 1 1 A 84 84 LYS C C 84 174.908 174.281 0.627 1
1 939 . 8 1 1 A 85 85 TYR N N 85 120.439 123.824 -3.385 1
1 940 . 8 1 1 A 85 85 TYR H H 85 8.926 9.420 -0.494 1
1 941 . 8 1 1 A 85 85 TYR CA C 85 56.005 57.495 -1.490 1
1 942 . 8 1 1 A 85 85 TYR HA H 85 4.938 4.865 0.073 1
1 943 . 8 1 1 A 85 85 TYR CB C 85 41.386 41.146 0.240 1
1 953 . 8 1 1 A 85 85 TYR C C 85 175.255 175.015 0.240 1
1 955 . 8 1 1 A 86 86 ARG N N 86 127.150 128.569 -1.419 1
1 956 . 8 1 1 A 86 86 ARG H H 86 9.115 9.497 -0.382 1
1 957 . 8 1 1 A 86 86 ARG CA C 86 57.122 56.876 0.246 1
1 958 . 8 1 1 A 86 86 ARG HA H 86 3.659 3.718 -0.059 1
1 959 . 8 1 1 A 86 86 ARG CB C 86 27.563 27.310 0.253 1
1 965 . 8 1 1 A 86 86 ARG C C 86 176.482 176.349 0.133 1
1 969 . 8 1 1 A 87 87 GLY N N 87 102.394 104.457 -2.063 1
1 970 . 8 1 1 A 87 87 GLY H H 87 8.564 8.567 -0.003 1
1 971 . 8 1 1 A 87 87 GLY CA C 87 45.388 46.001 -0.613 1
1 972 . 8 1 1 A 87 87 GLY HA3 H 87 4.099 3.817 0.282 1
1 973 . 8 1 1 A 87 87 GLY C C 87 173.631 173.684 -0.053 1
1 974 . 8 1 1 A 87 87 GLY HA2 H 87 3.460 3.801 -0.341 1
1 975 . 8 1 1 A 88 88 GLN N N 88 119.060 118.789 0.271 1
1 976 . 8 1 1 A 88 88 GLN H H 88 7.665 7.755 -0.090 1
1 977 . 8 1 1 A 88 88 GLN CA C 88 53.265 53.956 -0.691 1
1 978 . 8 1 1 A 88 88 GLN HA H 88 4.749 4.751 -0.002 1
1 979 . 8 1 1 A 88 88 GLN CB C 88 31.383 32.257 -0.874 1
1 986 . 8 1 1 A 88 88 GLN C C 88 175.689 174.584 1.105 1
1 989 . 8 1 1 A 89 89 HIS N N 89 123.344 121.414 1.930 1
1 990 . 8 1 1 A 89 89 HIS H H 89 8.789 8.895 -0.106 1
1 991 . 8 1 1 A 89 89 HIS CA C 89 59.011 56.395 2.616 1
1 992 . 8 1 1 A 89 89 HIS HA H 89 4.546 4.688 -0.142 1
1 993 . 8 1 1 A 89 89 HIS CB C 89 32.365 29.856 2.509 1
1 999 . 8 1 1 A 89 89 HIS C C 89 178.152 175.319 2.833 1
1 1001 . 8 1 1 A 90 90 VAL N N 90 117.749 121.580 -3.831 1
1 1002 . 8 1 1 A 90 90 VAL H H 90 8.436 8.037 0.399 1
1 1003 . 8 1 1 A 90 90 VAL CA C 90 60.473 62.096 -1.623 1
1 1004 . 8 1 1 A 90 90 VAL HA H 90 4.535 4.105 0.430 1
1 1005 . 8 1 1 A 90 90 VAL CB C 90 32.489 33.349 -0.860 1
1 1015 . 8 1 1 A 90 90 VAL C C 90 176.018 175.395 0.623 1
1 1016 . 8 1 1 A 91 91 THR N N 91 118.099 116.759 1.340 1
1 1017 . 8 1 1 A 91 91 THR H H 91 8.491 8.457 0.034 1
1 1018 . 8 1 1 A 91 91 THR CA C 91 65.519 65.161 0.358 1
1 1019 . 8 1 1 A 91 91 THR HA H 91 3.924 3.885 0.039 1
1 1020 . 8 1 1 A 91 91 THR CB C 91 68.972 68.419 0.553 1
1 1026 . 8 1 1 A 91 91 THR C C 91 174.771 176.066 -1.295 1
1 1027 . 8 1 1 A 92 92 GLY N N 92 116.032 114.804 1.228 1
1 1028 . 8 1 1 A 92 92 GLY H H 92 8.563 8.864 -0.301 1
1 1029 . 8 1 1 A 92 92 GLY CA C 92 44.842 46.520 -1.678 1
1 1030 . 8 1 1 A 92 92 GLY HA3 H 92 4.213 3.909 0.304 1
1 1031 . 8 1 1 A 92 92 GLY C C 92 172.199 173.197 -0.998 1
1 1032 . 8 1 1 A 92 92 GLY HA2 H 92 3.361 3.803 -0.442 1
1 1033 . 8 1 1 A 93 93 SER N N 93 113.106 114.877 -1.771 1
1 1034 . 8 1 1 A 93 93 SER H H 93 7.806 7.078 0.728 1
1 1035 . 8 1 1 A 93 93 SER CA C 93 54.600 54.441 0.159 1
1 1036 . 8 1 1 A 93 93 SER HA H 93 4.159 4.139 0.020 1
1 1037 . 8 1 1 A 93 93 SER CB C 93 62.787 65.531 -2.744 1
1 1039 . 8 1 1 A 93 93 SER C C 93 174.123 171.852 2.271 1
1 1041 . 8 1 1 A 94 94 PRO CA C 94 62.619 62.185 0.434 1
1 1042 . 8 1 1 A 94 94 PRO HA H 94 5.537 4.406 1.131 1
1 1043 . 8 1 1 A 94 94 PRO CB C 94 34.521 32.207 2.314 1
1 1049 . 8 1 1 A 94 94 PRO C C 94 176.046 175.347 0.699 1
1 1053 . 8 1 1 A 95 95 PHE N N 95 120.547 119.729 0.818 1
1 1054 . 8 1 1 A 95 95 PHE H H 95 9.127 8.540 0.587 1
1 1055 . 8 1 1 A 95 95 PHE CA C 95 56.700 57.560 -0.860 1
1 1056 . 8 1 1 A 95 95 PHE HA H 95 4.844 5.011 -0.167 1
1 1057 . 8 1 1 A 95 95 PHE CB C 95 41.285 40.509 0.776 1
1 1069 . 8 1 1 A 95 95 PHE C C 95 175.219 175.618 -0.399 1
1 1071 . 8 1 1 A 96 96 GLN N N 96 120.382 121.101 -0.719 1
1 1072 . 8 1 1 A 96 96 GLN H H 96 8.896 8.654 0.242 1
1 1073 . 8 1 1 A 96 96 GLN CA C 96 55.028 54.237 0.791 1
1 1074 . 8 1 1 A 96 96 GLN HA H 96 5.440 5.292 0.148 1
1 1075 . 8 1 1 A 96 96 GLN CB C 96 31.867 32.073 -0.206 1
1 1082 . 8 1 1 A 96 96 GLN C C 96 175.480 174.975 0.505 1
1 1085 . 8 1 1 A 97 97 PHE N N 97 121.331 119.327 2.004 1
1 1086 . 8 1 1 A 97 97 PHE H H 97 8.822 8.433 0.389 1
1 1087 . 8 1 1 A 97 97 PHE CA C 97 56.931 56.137 0.794 1
1 1088 . 8 1 1 A 97 97 PHE HA H 97 4.960 5.295 -0.335 1
1 1089 . 8 1 1 A 97 97 PHE CB C 97 42.133 41.564 0.569 1
1 1101 . 8 1 1 A 97 97 PHE C C 97 173.780 172.351 1.429 1
1 1103 . 8 1 1 A 98 98 THR N N 98 121.160 115.754 5.406 1
1 1104 . 8 1 1 A 98 98 THR H H 98 8.907 8.837 0.070 1
1 1105 . 8 1 1 A 98 98 THR CA C 98 63.381 61.713 1.668 1
1 1106 . 8 1 1 A 98 98 THR HA H 98 4.487 5.027 -0.540 1
1 1107 . 8 1 1 A 98 98 THR CB C 98 69.599 70.701 -1.102 1
1 1113 . 8 1 1 A 98 98 THR C C 98 173.058 174.059 -1.001 1
1 1114 . 8 1 1 A 99 99 VAL N N 99 128.111 125.883 2.228 1
1 1115 . 8 1 1 A 99 99 VAL H H 99 8.240 8.822 -0.582 1
1 1116 . 8 1 1 A 99 99 VAL CA C 99 61.670 60.442 1.228 1
1 1117 . 8 1 1 A 99 99 VAL HA H 99 4.271 5.055 -0.784 1
1 1118 . 8 1 1 A 99 99 VAL CB C 99 32.962 34.329 -1.367 1
1 1128 . 8 1 1 A 99 99 VAL C C 99 176.689 175.588 1.101 1
1 1129 . 8 1 1 A 100 100 GLY N N 100 118.412 112.078 6.334 1
1 1130 . 8 1 1 A 100 100 GLY H H 100 8.946 8.103 0.843 1
1 1131 . 8 1 1 A 100 100 GLY CA C 100 44.504 44.973 -0.469 1
1 1132 . 8 1 1 A 100 100 GLY HA3 H 100 4.506 4.345 0.161 1
1 1133 . 8 1 1 A 100 100 GLY C C 100 170.474 171.321 -0.847 1
1 1134 . 8 1 1 A 100 100 GLY HA2 H 100 4.136 4.335 -0.199 1
1 1135 . 8 1 1 A 101 101 PRO CA C 101 62.588 62.863 -0.275 1
1 1136 . 8 1 1 A 101 101 PRO HA H 101 4.525 4.599 -0.074 1
1 1137 . 8 1 1 A 101 101 PRO CB C 101 32.641 32.469 0.172 1
1 1143 . 8 1 1 A 101 101 PRO C C 101 176.696 175.904 0.792 1
1 1147 . 8 1 1 A 102 102 LEU N N 102 121.326 121.402 -0.076 1
1 1148 . 8 1 1 A 102 102 LEU H H 102 8.374 8.385 -0.011 1
1 1149 . 8 1 1 A 102 102 LEU CA C 102 55.855 53.397 2.458 1
1 1150 . 8 1 1 A 102 102 LEU HA H 102 4.221 4.925 -0.704 1
1 1151 . 8 1 1 A 102 102 LEU CB C 102 42.652 44.044 -1.392 1
1 1163 . 8 1 1 A 102 102 LEU C C 102 178.005 176.940 1.065 1
1 1165 . 8 1 1 A 103 103 GLY N N 103 110.870 109.109 1.761 1
1 1166 . 8 1 1 A 103 103 GLY H H 103 8.481 8.786 -0.305 1
1 1167 . 8 1 1 A 103 103 GLY CA C 103 45.208 46.765 -1.557 1
1 1168 . 8 1 1 A 103 103 GLY HA3 H 103 3.927 3.880 0.047 1
1 1169 . 8 1 1 A 103 103 GLY C C 103 174.126 173.142 0.984 1
1 1170 . 8 1 1 A 103 103 GLY HA2 H 103 3.991 3.878 0.113 1
1 1171 . 8 1 1 A 104 104 GLU N N 104 120.771 125.452 -4.681 1
1 1172 . 8 1 1 A 104 104 GLU H H 104 8.308 8.517 -0.209 1
1 1173 . 8 1 1 A 104 104 GLU CA C 104 56.713 55.024 1.689 1
1 1174 . 8 1 1 A 104 104 GLU HA H 104 4.318 4.761 -0.443 1
1 1175 . 8 1 1 A 104 104 GLU CB C 104 30.470 31.593 -1.123 1
1 1179 . 8 1 1 A 104 104 GLU C C 104 177.052 176.266 0.786 1
1 1182 . 8 1 1 A 105 105 GLY N N 105 110.589 112.898 -2.309 1
1 1183 . 8 1 1 A 105 105 GLY H H 105 8.546 8.540 0.006 1
1 1184 . 8 1 1 A 105 105 GLY CA C 105 45.256 45.008 0.248 1
1 1185 . 8 1 1 A 105 105 GLY HA3 H 105 3.925 4.009 -0.084 1
1 1186 . 8 1 1 A 105 105 GLY C C 105 173.795 174.493 -0.698 1
1 1187 . 8 1 1 A 105 105 GLY HA2 H 105 3.992 4.009 -0.017 1
1 1 . 9 1 1 A 7 7 GLY CA C 7 45.415 46.713 -1.298 1
1 2 . 9 1 1 A 7 7 GLY HA3 H 7 3.972 3.951 0.021 1
1 3 . 9 1 1 A 7 7 GLY C C 7 174.102 173.201 0.901 1
1 4 . 9 1 1 A 7 7 GLY HA2 H 7 3.972 3.951 0.021 1
1 5 . 9 1 1 A 8 8 ARG N N 8 120.724 113.067 7.657 1
1 6 . 9 1 1 A 8 8 ARG H H 8 8.124 8.100 0.024 1
1 7 . 9 1 1 A 8 8 ARG CA C 8 56.123 56.952 -0.829 1
1 8 . 9 1 1 A 8 8 ARG HA H 8 4.363 3.862 0.501 1
1 9 . 9 1 1 A 8 8 ARG CB C 8 30.881 27.398 3.483 1
1 15 . 9 1 1 A 8 8 ARG C C 8 176.487 174.449 2.038 1
1 19 . 9 1 1 A 9 9 VAL N N 9 121.839 118.413 3.426 1
1 20 . 9 1 1 A 9 9 VAL H H 9 8.204 7.607 0.597 1
1 21 . 9 1 1 A 9 9 VAL CA C 9 62.438 60.795 1.643 1
1 22 . 9 1 1 A 9 9 VAL HA H 9 4.081 4.482 -0.401 1
1 23 . 9 1 1 A 9 9 VAL CB C 9 32.773 34.618 -1.845 1
1 33 . 9 1 1 A 9 9 VAL C C 9 176.204 175.254 0.950 1
1 34 . 9 1 1 A 10 10 LYS N N 10 125.552 127.342 -1.790 1
1 35 . 9 1 1 A 10 10 LYS H H 10 8.437 8.708 -0.271 1
1 36 . 9 1 1 A 10 10 LYS CA C 10 56.575 56.679 -0.104 1
1 37 . 9 1 1 A 10 10 LYS HA H 10 4.280 4.469 -0.189 1
1 38 . 9 1 1 A 10 10 LYS CB C 10 33.046 33.196 -0.150 1
1 46 . 9 1 1 A 10 10 LYS C C 10 176.486 176.337 0.149 1
1 51 . 9 1 1 A 11 11 GLU N N 11 122.741 121.110 1.631 1
1 52 . 9 1 1 A 11 11 GLU H H 11 8.490 9.009 -0.519 1
1 53 . 9 1 1 A 11 11 GLU CA C 11 56.717 54.767 1.950 1
1 54 . 9 1 1 A 11 11 GLU HA H 11 4.303 5.207 -0.904 1
1 55 . 9 1 1 A 11 11 GLU CB C 11 30.422 32.792 -2.370 1
1 59 . 9 1 1 A 11 11 GLU C C 11 176.428 175.019 1.409 1
1 62 . 9 1 1 A 12 12 SER N N 12 117.227 117.834 -0.607 1
1 63 . 9 1 1 A 12 12 SER H H 12 8.434 8.693 -0.259 1
1 64 . 9 1 1 A 12 12 SER CA C 12 58.340 57.634 0.706 1
1 65 . 9 1 1 A 12 12 SER HA H 12 4.477 5.118 -0.641 1
1 66 . 9 1 1 A 12 12 SER CB C 12 63.670 65.893 -2.223 1
1 68 . 9 1 1 A 12 12 SER C C 12 174.574 173.220 1.354 1
1 70 . 9 1 1 A 13 13 ILE N N 13 122.704 120.708 1.996 1
1 71 . 9 1 1 A 13 13 ILE H H 13 8.189 8.868 -0.679 1
1 72 . 9 1 1 A 13 13 ILE CA C 13 61.364 59.010 2.354 1
1 73 . 9 1 1 A 13 13 ILE HA H 13 4.270 5.016 -0.746 1
1 74 . 9 1 1 A 13 13 ILE CB C 13 38.870 41.848 -2.978 1
1 86 . 9 1 1 A 13 13 ILE C C 13 176.445 174.660 1.785 1
1 88 . 9 1 1 A 14 14 THR N N 14 118.671 112.511 6.160 1
1 89 . 9 1 1 A 14 14 THR H H 14 8.265 8.289 -0.024 1
1 90 . 9 1 1 A 14 14 THR CA C 14 62.080 60.596 1.484 1
1 91 . 9 1 1 A 14 14 THR HA H 14 4.338 4.835 -0.497 1
1 92 . 9 1 1 A 14 14 THR CB C 14 69.779 70.172 -0.393 1
1 98 . 9 1 1 A 14 14 THR C C 14 174.465 174.636 -0.171 1
1 99 . 9 1 1 A 15 15 ARG N N 15 124.132 122.567 1.565 1
1 100 . 9 1 1 A 15 15 ARG H H 15 8.428 8.749 -0.321 1
1 101 . 9 1 1 A 15 15 ARG CA C 15 56.221 56.032 0.189 1
1 102 . 9 1 1 A 15 15 ARG HA H 15 4.447 4.456 -0.009 1
1 103 . 9 1 1 A 15 15 ARG CB C 15 30.949 29.914 1.035 1
1 109 . 9 1 1 A 15 15 ARG C C 15 176.374 175.006 1.368 1
1 113 . 9 1 1 A 16 16 THR N N 16 115.339 110.594 4.745 1
1 114 . 9 1 1 A 16 16 THR H H 16 8.232 7.712 0.520 1
1 115 . 9 1 1 A 16 16 THR CA C 16 61.828 60.495 1.333 1
1 116 . 9 1 1 A 16 16 THR HA H 16 4.389 5.127 -0.738 1
1 117 . 9 1 1 A 16 16 THR CB C 16 69.896 71.535 -1.639 1
1 123 . 9 1 1 A 16 16 THR C C 16 174.518 172.607 1.911 1
1 124 . 9 1 1 A 17 17 SER N N 17 118.278 120.415 -2.137 1
1 125 . 9 1 1 A 17 17 SER H H 17 8.331 9.105 -0.774 1
1 126 . 9 1 1 A 17 17 SER CA C 17 58.326 56.614 1.712 1
1 127 . 9 1 1 A 17 17 SER HA H 17 4.500 5.125 -0.625 1
1 128 . 9 1 1 A 17 17 SER CB C 17 63.918 64.661 -0.743 1
1 130 . 9 1 1 A 17 17 SER C C 17 174.172 173.434 0.738 1
1 132 . 9 1 1 A 18 18 ARG N N 18 122.935 127.222 -4.287 1
1 133 . 9 1 1 A 18 18 ARG H H 18 8.376 8.861 -0.485 1
1 134 . 9 1 1 A 18 18 ARG CA C 18 55.772 54.759 1.013 1
1 135 . 9 1 1 A 18 18 ARG HA H 18 4.386 5.036 -0.650 1
1 136 . 9 1 1 A 18 18 ARG CB C 18 31.073 31.977 -0.904 1
1 142 . 9 1 1 A 18 18 ARG C C 18 175.493 174.696 0.797 1
1 146 . 9 1 1 A 19 19 ALA N N 19 126.804 126.563 0.241 1
1 147 . 9 1 1 A 19 19 ALA H H 19 8.357 8.696 -0.339 1
1 148 . 9 1 1 A 19 19 ALA CA C 19 50.553 50.590 -0.037 1
1 149 . 9 1 1 A 19 19 ALA HA H 19 4.585 4.822 -0.237 1
1 150 . 9 1 1 A 19 19 ALA CB C 19 18.208 22.142 -3.934 1
1 154 . 9 1 1 A 19 19 ALA C C 19 175.408 174.221 1.187 1
1 155 . 9 1 1 A 20 20 PRO CA C 20 63.352 62.666 0.686 1
1 156 . 9 1 1 A 20 20 PRO HA H 20 4.455 4.775 -0.320 1
1 157 . 9 1 1 A 20 20 PRO CB C 20 32.196 31.722 0.474 1
1 163 . 9 1 1 A 20 20 PRO C C 20 176.846 176.073 0.773 1
1 167 . 9 1 1 A 21 21 SER N N 21 116.414 119.694 -3.280 1
1 168 . 9 1 1 A 21 21 SER H H 21 8.449 8.698 -0.249 1
1 169 . 9 1 1 A 21 21 SER CA C 21 58.507 57.868 0.639 1
1 170 . 9 1 1 A 21 21 SER HA H 21 4.475 5.010 -0.535 1
1 171 . 9 1 1 A 21 21 SER CB C 21 63.851 65.168 -1.317 1
1 173 . 9 1 1 A 21 21 SER C C 21 174.344 173.755 0.589 1
1 175 . 9 1 1 A 22 22 VAL N N 22 120.580 126.202 -5.622 1
1 176 . 9 1 1 A 22 22 VAL H H 22 8.110 8.814 -0.704 1
1 177 . 9 1 1 A 22 22 VAL CA C 22 61.788 61.142 0.646 1
1 178 . 9 1 1 A 22 22 VAL HA H 22 4.293 4.490 -0.197 1
1 179 . 9 1 1 A 22 22 VAL CB C 22 33.445 31.822 1.623 1
1 189 . 9 1 1 A 22 22 VAL C C 22 175.160 175.483 -0.323 1
1 190 . 9 1 1 A 23 23 ALA N N 23 127.788 125.516 2.272 1
1 191 . 9 1 1 A 23 23 ALA H H 23 8.428 7.453 0.975 1
1 192 . 9 1 1 A 23 23 ALA CA C 23 51.790 52.870 -1.080 1
1 193 . 9 1 1 A 23 23 ALA HA H 23 4.594 4.223 0.371 1
1 194 . 9 1 1 A 23 23 ALA CB C 23 21.050 19.387 1.663 1
1 198 . 9 1 1 A 23 23 ALA C C 23 176.198 177.137 -0.939 1
1 199 . 9 1 1 A 24 24 THR N N 24 115.139 114.509 0.630 1
1 200 . 9 1 1 A 24 24 THR H H 24 8.338 8.458 -0.120 1
1 201 . 9 1 1 A 24 24 THR CA C 24 60.519 59.819 0.700 1
1 202 . 9 1 1 A 24 24 THR HA H 24 4.674 4.752 -0.078 1
1 203 . 9 1 1 A 24 24 THR CB C 24 72.048 70.624 1.424 1
1 209 . 9 1 1 A 24 24 THR C C 24 173.979 171.883 2.096 1
1 210 . 9 1 1 A 25 25 VAL N N 25 122.772 122.126 0.646 1
1 211 . 9 1 1 A 25 25 VAL H H 25 8.002 8.869 -0.867 1
1 212 . 9 1 1 A 25 25 VAL CA C 25 64.582 59.925 4.657 1
1 213 . 9 1 1 A 25 25 VAL HA H 25 3.280 4.698 -1.418 1
1 214 . 9 1 1 A 25 25 VAL CB C 25 32.102 35.028 -2.926 1
1 224 . 9 1 1 A 25 25 VAL C C 25 176.709 175.482 1.227 1
1 225 . 9 1 1 A 26 26 GLY N N 26 112.345 115.734 -3.389 1
1 226 . 9 1 1 A 26 26 GLY H H 26 8.344 8.893 -0.549 1
1 227 . 9 1 1 A 26 26 GLY CA C 26 45.534 46.757 -1.223 1
1 228 . 9 1 1 A 26 26 GLY HA3 H 26 4.166 3.916 0.250 1
1 229 . 9 1 1 A 26 26 GLY C C 26 173.701 173.465 0.236 1
1 230 . 9 1 1 A 26 26 GLY HA2 H 26 3.519 3.904 -0.385 1
1 231 . 9 1 1 A 27 27 SER N N 27 116.474 113.052 3.422 1
1 232 . 9 1 1 A 27 27 SER H H 27 7.738 7.703 0.035 1
1 233 . 9 1 1 A 27 27 SER CA C 27 57.264 57.414 -0.150 1
1 234 . 9 1 1 A 27 27 SER HA H 27 4.692 4.719 -0.027 1
1 235 . 9 1 1 A 27 27 SER CB C 27 65.270 64.670 0.600 1
1 237 . 9 1 1 A 27 27 SER C C 27 172.491 172.928 -0.437 1
1 239 . 9 1 1 A 28 28 ILE N N 28 122.052 125.248 -3.196 1
1 240 . 9 1 1 A 28 28 ILE H H 28 8.350 8.668 -0.318 1
1 241 . 9 1 1 A 28 28 ILE CA C 28 62.995 61.795 1.200 1
1 242 . 9 1 1 A 28 28 ILE HA H 28 3.693 4.204 -0.511 1
1 243 . 9 1 1 A 28 28 ILE CB C 28 38.221 36.970 1.251 1
1 255 . 9 1 1 A 28 28 ILE C C 28 175.624 175.596 0.028 1
1 257 . 9 1 1 A 29 29 CYS N N 29 129.493 127.236 2.257 1
1 258 . 9 1 1 A 29 29 CYS H H 29 8.730 8.308 0.422 1
1 259 . 9 1 1 A 29 29 CYS CA C 29 58.201 57.075 1.126 1
1 260 . 9 1 1 A 29 29 CYS HA H 29 4.451 5.134 -0.683 1
1 261 . 9 1 1 A 29 29 CYS CB C 29 28.560 29.831 -1.271 1
1 263 . 9 1 1 A 29 29 CYS C C 29 171.207 173.383 -2.176 1
1 265 . 9 1 1 A 30 30 ASP N N 30 123.789 123.510 0.279 1
1 266 . 9 1 1 A 30 30 ASP H H 30 8.000 8.611 -0.611 1
1 267 . 9 1 1 A 30 30 ASP CA C 30 52.692 53.394 -0.702 1
1 268 . 9 1 1 A 30 30 ASP HA H 30 5.315 4.941 0.374 1
1 269 . 9 1 1 A 30 30 ASP CB C 30 43.397 42.609 0.788 1
1 271 . 9 1 1 A 30 30 ASP C C 30 175.569 174.858 0.711 1
1 273 . 9 1 1 A 31 31 LEU N N 31 125.116 126.294 -1.178 1
1 274 . 9 1 1 A 31 31 LEU H H 31 9.147 8.810 0.337 1
1 275 . 9 1 1 A 31 31 LEU CA C 31 53.606 53.352 0.254 1
1 276 . 9 1 1 A 31 31 LEU HA H 31 4.515 4.822 -0.307 1
1 277 . 9 1 1 A 31 31 LEU CB C 31 43.262 44.223 -0.961 1
1 289 . 9 1 1 A 31 31 LEU C C 31 174.935 175.318 -0.383 1
1 291 . 9 1 1 A 32 32 ASN N N 32 124.687 124.637 0.050 1
1 292 . 9 1 1 A 32 32 ASN H H 32 8.690 8.623 0.067 1
1 293 . 9 1 1 A 32 32 ASN CA C 32 53.696 52.501 1.195 1
1 294 . 9 1 1 A 32 32 ASN HA H 32 5.077 5.050 0.027 1
1 295 . 9 1 1 A 32 32 ASN CB C 32 39.842 39.138 0.704 1
1 300 . 9 1 1 A 32 32 ASN C C 32 174.322 174.860 -0.538 1
1 302 . 9 1 1 A 33 33 LEU N N 33 123.838 125.207 -1.369 1
1 303 . 9 1 1 A 33 33 LEU H H 33 8.912 8.306 0.606 1
1 304 . 9 1 1 A 33 33 LEU CA C 33 53.820 53.191 0.629 1
1 305 . 9 1 1 A 33 33 LEU HA H 33 4.638 4.994 -0.356 1
1 306 . 9 1 1 A 33 33 LEU CB C 33 45.587 45.520 0.067 1
1 318 . 9 1 1 A 33 33 LEU C C 33 175.719 175.390 0.329 1
1 320 . 9 1 1 A 34 34 LYS N N 34 124.925 122.872 2.053 1
1 321 . 9 1 1 A 34 34 LYS H H 34 8.718 8.549 0.169 1
1 322 . 9 1 1 A 34 34 LYS CA C 34 55.079 55.664 -0.585 1
1 323 . 9 1 1 A 34 34 LYS HA H 34 5.036 4.637 0.399 1
1 324 . 9 1 1 A 34 34 LYS CB C 34 32.121 32.600 -0.479 1
1 332 . 9 1 1 A 34 34 LYS C C 34 176.081 175.048 1.033 1
1 337 . 9 1 1 A 35 35 ILE N N 35 123.769 125.639 -1.870 1
1 338 . 9 1 1 A 35 35 ILE H H 35 7.935 8.371 -0.436 1
1 339 . 9 1 1 A 35 35 ILE CA C 35 58.161 57.295 0.866 1
1 340 . 9 1 1 A 35 35 ILE HA H 35 4.612 4.588 0.024 1
1 341 . 9 1 1 A 35 35 ILE CB C 35 40.616 41.220 -0.604 1
1 353 . 9 1 1 A 35 35 ILE C C 35 173.405 174.596 -1.191 1
1 355 . 9 1 1 A 36 36 PRO CA C 36 63.143 62.293 0.850 1
1 356 . 9 1 1 A 36 36 PRO HA H 36 4.435 4.620 -0.185 1
1 357 . 9 1 1 A 36 36 PRO CB C 36 32.806 33.316 -0.510 1
1 363 . 9 1 1 A 36 36 PRO C C 36 176.844 176.828 0.016 1
1 367 . 9 1 1 A 37 37 GLU N N 37 114.188 119.739 -5.551 1
1 368 . 9 1 1 A 37 37 GLU H H 37 8.358 8.760 -0.402 1
1 369 . 9 1 1 A 37 37 GLU CA C 37 59.038 59.207 -0.169 1
1 370 . 9 1 1 A 37 37 GLU HA H 37 3.916 4.007 -0.091 1
1 371 . 9 1 1 A 37 37 GLU CB C 37 28.206 29.302 -1.096 1
1 375 . 9 1 1 A 37 37 GLU C C 37 175.996 177.514 -1.518 1
1 378 . 9 1 1 A 38 38 ILE N N 38 118.733 123.234 -4.501 1
1 379 . 9 1 1 A 38 38 ILE H H 38 7.679 7.327 0.352 1
1 380 . 9 1 1 A 38 38 ILE CA C 38 60.711 62.210 -1.499 1
1 381 . 9 1 1 A 38 38 ILE HA H 38 4.029 3.880 0.149 1
1 382 . 9 1 1 A 38 38 ILE CB C 38 40.278 37.874 2.404 1
1 394 . 9 1 1 A 38 38 ILE C C 38 175.255 176.292 -1.037 1
1 396 . 9 1 1 A 39 39 ASN H H 39 8.593 8.698 -0.105 1
1 397 . 9 1 1 A 39 39 ASN CA C 39 52.929 53.254 -0.325 1
1 398 . 9 1 1 A 39 39 ASN HA H 39 4.921 4.890 0.031 1
1 399 . 9 1 1 A 39 39 ASN CB C 39 39.419 39.761 -0.342 1
1 404 . 9 1 1 A 39 39 ASN C C 39 176.891 176.579 0.312 1
1 406 . 9 1 1 A 40 40 SER N N 40 120.676 117.249 3.427 1
1 407 . 9 1 1 A 40 40 SER H H 40 8.995 8.840 0.155 1
1 408 . 9 1 1 A 40 40 SER CA C 40 62.318 60.721 1.597 1
1 409 . 9 1 1 A 40 40 SER HA H 40 4.058 4.134 -0.076 1
1 410 . 9 1 1 A 40 40 SER CB C 40 63.297 63.073 0.224 1
1 412 . 9 1 1 A 40 40 SER C C 40 176.866 176.625 0.241 1
1 414 . 9 1 1 A 41 41 SER N N 41 112.249 116.191 -3.942 1
1 415 . 9 1 1 A 41 41 SER H H 41 8.253 8.129 0.124 1
1 416 . 9 1 1 A 41 41 SER CA C 41 60.133 60.874 -0.741 1
1 417 . 9 1 1 A 41 41 SER HA H 41 4.348 4.240 0.108 1
1 418 . 9 1 1 A 41 41 SER CB C 41 62.986 62.642 0.344 1
1 420 . 9 1 1 A 41 41 SER C C 41 174.885 174.946 -0.061 1
1 422 . 9 1 1 A 42 42 ASP N N 42 119.471 120.377 -0.906 1
1 423 . 9 1 1 A 42 42 ASP H H 42 7.835 7.945 -0.110 1
1 424 . 9 1 1 A 42 42 ASP CA C 42 54.713 54.211 0.502 1
1 425 . 9 1 1 A 42 42 ASP HA H 42 4.933 4.721 0.212 1
1 426 . 9 1 1 A 42 42 ASP CB C 42 42.479 42.349 0.130 1
1 428 . 9 1 1 A 42 42 ASP C C 42 175.586 176.144 -0.558 1
1 430 . 9 1 1 A 43 43 MET N N 43 119.155 118.785 0.370 1
1 431 . 9 1 1 A 43 43 MET H H 43 7.549 7.715 -0.166 1
1 432 . 9 1 1 A 43 43 MET CA C 43 54.927 54.592 0.335 1
1 433 . 9 1 1 A 43 43 MET HA H 43 5.359 4.970 0.389 1
1 434 . 9 1 1 A 43 43 MET CB C 43 37.158 34.782 2.376 1
1 442 . 9 1 1 A 43 43 MET C C 43 174.894 174.827 0.067 1
1 445 . 9 1 1 A 44 44 SER N N 44 114.070 113.002 1.068 1
1 446 . 9 1 1 A 44 44 SER H H 44 8.739 8.418 0.321 1
1 447 . 9 1 1 A 44 44 SER CA C 44 56.937 57.460 -0.523 1
1 448 . 9 1 1 A 44 44 SER HA H 44 4.700 5.466 -0.766 1
1 449 . 9 1 1 A 44 44 SER CB C 44 66.247 66.299 -0.052 1
1 451 . 9 1 1 A 44 44 SER C C 44 172.764 173.274 -0.510 1
1 453 . 9 1 1 A 45 45 ALA N N 45 126.192 123.476 2.716 1
1 454 . 9 1 1 A 45 45 ALA H H 45 9.123 8.732 0.391 1
1 455 . 9 1 1 A 45 45 ALA CA C 45 50.378 51.191 -0.813 1
1 456 . 9 1 1 A 45 45 ALA HA H 45 5.741 5.268 0.473 1
1 457 . 9 1 1 A 45 45 ALA CB C 45 23.330 21.905 1.425 1
1 461 . 9 1 1 A 45 45 ALA C C 45 175.089 175.587 -0.498 1
1 462 . 9 1 1 A 46 46 HIS N N 46 119.075 119.133 -0.058 1
1 463 . 9 1 1 A 46 46 HIS H H 46 8.701 8.816 -0.115 1
1 464 . 9 1 1 A 46 46 HIS CA C 46 55.999 55.053 0.946 1
1 465 . 9 1 1 A 46 46 HIS HA H 46 5.157 4.885 0.272 1
1 466 . 9 1 1 A 46 46 HIS CB C 46 34.239 33.345 0.894 1
1 472 . 9 1 1 A 46 46 HIS C C 46 174.155 174.000 0.155 1
1 474 . 9 1 1 A 47 47 VAL N N 47 125.059 123.959 1.100 1
1 475 . 9 1 1 A 47 47 VAL H H 47 9.488 8.730 0.758 1
1 476 . 9 1 1 A 47 47 VAL CA C 47 60.604 62.595 -1.991 1
1 477 . 9 1 1 A 47 47 VAL HA H 47 4.730 4.284 0.446 1
1 478 . 9 1 1 A 47 47 VAL CB C 47 33.769 31.873 1.896 1
1 488 . 9 1 1 A 47 47 VAL C C 47 175.126 175.425 -0.299 1
1 489 . 9 1 1 A 48 48 THR N N 48 124.473 123.694 0.779 1
1 490 . 9 1 1 A 48 48 THR H H 48 9.432 9.278 0.154 1
1 491 . 9 1 1 A 48 48 THR CA C 48 61.766 61.950 -0.184 1
1 492 . 9 1 1 A 48 48 THR HA H 48 5.164 4.791 0.373 1
1 493 . 9 1 1 A 48 48 THR CB C 48 69.384 69.564 -0.180 1
1 499 . 9 1 1 A 48 48 THR C C 48 174.573 174.407 0.166 1
1 500 . 9 1 1 A 49 49 SER N N 49 125.657 121.579 4.078 1
1 501 . 9 1 1 A 49 49 SER H H 49 9.043 9.072 -0.029 1
1 502 . 9 1 1 A 49 49 SER CA C 49 56.638 57.016 -0.378 1
1 503 . 9 1 1 A 49 49 SER HA H 49 4.225 4.546 -0.321 1
1 504 . 9 1 1 A 49 49 SER CB C 49 62.948 62.857 0.091 1
1 506 . 9 1 1 A 49 49 SER C C 49 174.034 174.364 -0.330 1
1 508 . 9 1 1 A 50 50 PRO CA C 50 65.784 64.129 1.655 1
1 509 . 9 1 1 A 50 50 PRO HA H 50 4.260 4.488 -0.228 1
1 510 . 9 1 1 A 50 50 PRO CB C 50 31.493 31.636 -0.143 1
1 516 . 9 1 1 A 50 50 PRO C C 50 177.687 176.942 0.745 1
1 520 . 9 1 1 A 51 51 SER N N 51 110.322 110.814 -0.492 1
1 521 . 9 1 1 A 51 51 SER H H 51 8.349 7.709 0.640 1
1 522 . 9 1 1 A 51 51 SER CA C 51 59.076 58.712 0.364 1
1 523 . 9 1 1 A 51 51 SER HA H 51 4.332 4.438 -0.106 1
1 524 . 9 1 1 A 51 51 SER CB C 51 62.825 64.850 -2.025 1
1 526 . 9 1 1 A 51 51 SER C C 51 175.363 174.987 0.376 1
1 528 . 9 1 1 A 52 52 GLY N N 52 111.132 110.133 0.999 1
1 529 . 9 1 1 A 52 52 GLY H H 52 8.289 7.507 0.782 1
1 530 . 9 1 1 A 52 52 GLY CA C 52 44.831 44.954 -0.123 1
1 531 . 9 1 1 A 52 52 GLY HA3 H 52 4.302 4.052 0.250 1
1 532 . 9 1 1 A 52 52 GLY C C 52 174.002 174.000 0.002 1
1 533 . 9 1 1 A 52 52 GLY HA2 H 52 3.421 4.049 -0.628 1
1 534 . 9 1 1 A 53 53 ARG N N 53 121.515 119.631 1.884 1
1 535 . 9 1 1 A 53 53 ARG H H 53 7.322 7.675 -0.353 1
1 536 . 9 1 1 A 53 53 ARG CA C 53 56.749 54.181 2.568 1
1 537 . 9 1 1 A 53 53 ARG HA H 53 4.222 4.760 -0.538 1
1 538 . 9 1 1 A 53 53 ARG CB C 53 30.430 32.469 -2.039 1
1 544 . 9 1 1 A 53 53 ARG C C 53 176.023 175.474 0.549 1
1 548 . 9 1 1 A 54 54 VAL N N 54 128.383 121.330 7.053 1
1 549 . 9 1 1 A 54 54 VAL H H 54 8.780 8.639 0.141 1
1 550 . 9 1 1 A 54 54 VAL CA C 54 61.533 61.045 0.488 1
1 551 . 9 1 1 A 54 54 VAL HA H 54 5.243 4.955 0.288 1
1 552 . 9 1 1 A 54 54 VAL CB C 54 33.205 34.848 -1.643 1
1 562 . 9 1 1 A 54 54 VAL C C 54 176.783 175.687 1.096 1
1 563 . 9 1 1 A 55 55 THR N N 55 121.757 117.776 3.981 1
1 564 . 9 1 1 A 55 55 THR H H 55 9.188 8.853 0.335 1
1 565 . 9 1 1 A 55 55 THR CA C 55 60.216 59.800 0.416 1
1 566 . 9 1 1 A 55 55 THR HA H 55 4.751 5.228 -0.477 1
1 567 . 9 1 1 A 55 55 THR CB C 55 71.896 71.195 0.701 1
1 573 . 9 1 1 A 55 55 THR C C 55 173.454 172.549 0.905 1
1 574 . 9 1 1 A 56 56 GLU N N 56 125.373 121.104 4.269 1
1 575 . 9 1 1 A 56 56 GLU H H 56 8.927 8.857 0.070 1
1 576 . 9 1 1 A 56 56 GLU CA C 56 57.019 54.300 2.719 1
1 577 . 9 1 1 A 56 56 GLU HA H 56 4.365 4.769 -0.404 1
1 578 . 9 1 1 A 56 56 GLU CB C 56 30.230 33.352 -3.122 1
1 582 . 9 1 1 A 56 56 GLU C C 56 175.556 174.779 0.777 1
1 585 . 9 1 1 A 57 57 ALA N N 57 128.204 127.694 0.510 1
1 586 . 9 1 1 A 57 57 ALA H H 57 8.201 8.751 -0.550 1
1 587 . 9 1 1 A 57 57 ALA CA C 57 50.068 50.005 0.063 1
1 588 . 9 1 1 A 57 57 ALA HA H 57 4.827 5.273 -0.446 1
1 589 . 9 1 1 A 57 57 ALA CB C 57 21.531 23.350 -1.819 1
1 593 . 9 1 1 A 57 57 ALA C C 57 175.178 174.985 0.193 1
1 594 . 9 1 1 A 58 58 GLU N N 58 120.950 120.486 0.464 1
1 595 . 9 1 1 A 58 58 GLU H H 58 8.202 8.832 -0.630 1
1 596 . 9 1 1 A 58 58 GLU CA C 58 55.505 55.422 0.083 1
1 597 . 9 1 1 A 58 58 GLU HA H 58 4.509 5.008 -0.499 1
1 598 . 9 1 1 A 58 58 GLU CB C 58 32.301 31.868 0.433 1
1 602 . 9 1 1 A 58 58 GLU C C 58 175.025 175.372 -0.347 1
1 605 . 9 1 1 A 59 59 ILE N N 59 122.574 126.553 -3.979 1
1 606 . 9 1 1 A 59 59 ILE H H 59 8.578 9.026 -0.448 1
1 607 . 9 1 1 A 59 59 ILE CA C 59 60.355 60.272 0.083 1
1 608 . 9 1 1 A 59 59 ILE HA H 59 4.954 4.540 0.414 1
1 609 . 9 1 1 A 59 59 ILE CB C 59 38.374 37.950 0.424 1
1 621 . 9 1 1 A 59 59 ILE C C 59 175.709 175.590 0.119 1
1 623 . 9 1 1 A 60 60 VAL N N 60 129.074 128.465 0.609 1
1 624 . 9 1 1 A 60 60 VAL H H 60 9.543 8.436 1.107 1
1 625 . 9 1 1 A 60 60 VAL CA C 60 58.472 61.164 -2.692 1
1 626 . 9 1 1 A 60 60 VAL HA H 60 4.737 4.082 0.655 1
1 627 . 9 1 1 A 60 60 VAL CB C 60 34.522 32.409 2.113 1
1 637 . 9 1 1 A 60 60 VAL C C 60 174.024 174.805 -0.781 1
1 638 . 9 1 1 A 61 61 PRO CA C 61 63.313 62.214 1.099 1
1 639 . 9 1 1 A 61 61 PRO HA H 61 4.611 4.621 -0.010 1
1 640 . 9 1 1 A 61 61 PRO CB C 61 32.270 30.553 1.717 1
1 646 . 9 1 1 A 61 61 PRO C C 61 177.388 177.031 0.357 1
1 650 . 9 1 1 A 62 62 MET N N 62 122.153 121.419 0.734 1
1 651 . 9 1 1 A 62 62 MET H H 62 7.843 8.387 -0.544 1
1 652 . 9 1 1 A 62 62 MET CA C 62 53.470 58.084 -4.614 1
1 653 . 9 1 1 A 62 62 MET HA H 62 4.765 4.277 0.488 1
1 654 . 9 1 1 A 62 62 MET CB C 62 33.144 33.343 -0.199 1
1 662 . 9 1 1 A 62 62 MET C C 62 175.742 176.265 -0.523 1
1 665 . 9 1 1 A 63 63 GLY N N 63 109.196 103.451 5.745 1
1 666 . 9 1 1 A 63 63 GLY H H 63 7.757 6.821 0.936 1
1 667 . 9 1 1 A 63 63 GLY CA C 63 44.092 45.706 -1.614 1
1 668 . 9 1 1 A 63 63 GLY HA3 H 63 4.193 4.033 0.160 1
1 669 . 9 1 1 A 63 63 GLY C C 63 173.451 172.191 1.260 1
1 670 . 9 1 1 A 63 63 GLY HA2 H 63 3.757 4.024 -0.267 1
1 671 . 9 1 1 A 64 64 LYS CA C 64 58.104 57.075 1.029 1
1 672 . 9 1 1 A 64 64 LYS HA H 64 3.994 4.080 -0.086 1
1 673 . 9 1 1 A 64 64 LYS CB C 64 31.766 32.065 -0.299 1
1 681 . 9 1 1 A 64 64 LYS C C 64 177.657 177.329 0.328 1
1 686 . 9 1 1 A 65 65 ASN N N 65 117.648 124.334 -6.686 1
1 687 . 9 1 1 A 65 65 ASN H H 65 8.860 9.000 -0.140 1
1 688 . 9 1 1 A 65 65 ASN CA C 65 54.222 53.941 0.281 1
1 689 . 9 1 1 A 65 65 ASN HA H 65 4.587 4.421 0.166 1
1 690 . 9 1 1 A 65 65 ASN CB C 65 38.313 36.317 1.996 1
1 695 . 9 1 1 A 65 65 ASN C C 65 173.302 174.123 -0.821 1
1 697 . 9 1 1 A 66 66 SER N N 66 112.701 114.664 -1.963 1
1 698 . 9 1 1 A 66 66 SER H H 66 7.367 7.036 0.331 1
1 699 . 9 1 1 A 66 66 SER CA C 66 57.766 57.253 0.513 1
1 700 . 9 1 1 A 66 66 SER HA H 66 5.112 5.184 -0.072 1
1 701 . 9 1 1 A 66 66 SER CB C 66 65.000 65.947 -0.947 1
1 703 . 9 1 1 A 66 66 SER C C 66 172.793 172.685 0.108 1
1 705 . 9 1 1 A 67 67 HIS N N 67 124.096 120.225 3.871 1
1 706 . 9 1 1 A 67 67 HIS H H 67 8.735 8.875 -0.140 1
1 707 . 9 1 1 A 67 67 HIS CA C 67 55.123 54.681 0.442 1
1 708 . 9 1 1 A 67 67 HIS HA H 67 4.975 4.942 0.033 1
1 709 . 9 1 1 A 67 67 HIS CB C 67 34.914 33.969 0.945 1
1 715 . 9 1 1 A 67 67 HIS C C 67 173.884 173.720 0.164 1
1 717 . 9 1 1 A 68 68 CYS N N 68 122.598 123.223 -0.625 1
1 718 . 9 1 1 A 68 68 CYS H H 68 9.333 8.601 0.732 1
1 719 . 9 1 1 A 68 68 CYS CA C 68 56.907 57.147 -0.240 1
1 720 . 9 1 1 A 68 68 CYS HA H 68 5.311 5.011 0.300 1
1 721 . 9 1 1 A 68 68 CYS CB C 68 29.314 30.625 -1.311 1
1 723 . 9 1 1 A 68 68 CYS C C 68 173.554 172.898 0.656 1
1 725 . 9 1 1 A 69 69 VAL N N 69 128.613 127.736 0.877 1
1 726 . 9 1 1 A 69 69 VAL H H 69 9.074 8.570 0.504 1
1 727 . 9 1 1 A 69 69 VAL CA C 69 61.632 61.329 0.303 1
1 728 . 9 1 1 A 69 69 VAL HA H 69 4.725 4.948 -0.223 1
1 729 . 9 1 1 A 69 69 VAL CB C 69 32.387 33.583 -1.196 1
1 739 . 9 1 1 A 69 69 VAL C C 69 174.230 175.028 -0.798 1
1 740 . 9 1 1 A 70 70 ARG N N 70 128.053 125.622 2.431 1
1 741 . 9 1 1 A 70 70 ARG H H 70 9.052 8.530 0.522 1
1 742 . 9 1 1 A 70 70 ARG CA C 70 54.797 54.545 0.252 1
1 743 . 9 1 1 A 70 70 ARG HA H 70 5.761 5.233 0.528 1
1 744 . 9 1 1 A 70 70 ARG CB C 70 34.395 32.763 1.632 1
1 751 . 9 1 1 A 70 70 ARG C C 70 175.918 174.975 0.943 1
1 755 . 9 1 1 A 71 71 PHE N N 71 122.942 116.758 6.184 1
1 756 . 9 1 1 A 71 71 PHE H H 71 8.702 7.994 0.708 1
1 757 . 9 1 1 A 71 71 PHE CA C 71 55.748 56.200 -0.452 1
1 758 . 9 1 1 A 71 71 PHE HA H 71 4.936 5.128 -0.192 1
1 759 . 9 1 1 A 71 71 PHE CB C 71 41.245 40.947 0.298 1
1 771 . 9 1 1 A 71 71 PHE C C 71 171.709 172.133 -0.424 1
1 773 . 9 1 1 A 72 72 VAL N N 72 122.214 120.457 1.757 1
1 774 . 9 1 1 A 72 72 VAL H H 72 8.512 8.950 -0.438 1
1 775 . 9 1 1 A 72 72 VAL CA C 72 58.398 59.485 -1.087 1
1 776 . 9 1 1 A 72 72 VAL HA H 72 4.752 4.722 0.030 1
1 777 . 9 1 1 A 72 72 VAL CB C 72 32.747 32.297 0.450 1
1 787 . 9 1 1 A 72 72 VAL C C 72 174.416 175.227 -0.811 1
1 788 . 9 1 1 A 73 73 PRO CA C 73 62.606 62.659 -0.053 1
1 789 . 9 1 1 A 73 73 PRO HA H 73 4.646 4.994 -0.348 1
1 790 . 9 1 1 A 73 73 PRO CB C 73 33.679 29.824 3.855 1
1 796 . 9 1 1 A 73 73 PRO C C 73 176.757 175.321 1.436 1
1 800 . 9 1 1 A 74 74 GLN N N 74 119.992 123.149 -3.157 1
1 801 . 9 1 1 A 74 74 GLN H H 74 9.869 8.513 1.356 1
1 802 . 9 1 1 A 74 74 GLN CA C 74 55.156 54.777 0.379 1
1 803 . 9 1 1 A 74 74 GLN HA H 74 4.602 5.036 -0.434 1
1 804 . 9 1 1 A 74 74 GLN CB C 74 31.405 31.015 0.390 1
1 811 . 9 1 1 A 74 74 GLN C C 74 174.987 174.710 0.277 1
1 814 . 9 1 1 A 75 75 GLU N N 75 119.264 125.176 -5.912 1
1 815 . 9 1 1 A 75 75 GLU H H 75 8.009 8.844 -0.835 1
1 816 . 9 1 1 A 75 75 GLU CA C 75 54.138 54.185 -0.047 1
1 817 . 9 1 1 A 75 75 GLU HA H 75 4.657 4.756 -0.099 1
1 818 . 9 1 1 A 75 75 GLU CB C 75 34.046 32.966 1.080 1
1 822 . 9 1 1 A 75 75 GLU C C 75 173.922 175.564 -1.642 1
1 825 . 9 1 1 A 76 76 MET N N 76 117.176 117.897 -0.721 1
1 826 . 9 1 1 A 76 76 MET H H 76 8.450 8.299 0.151 1
1 827 . 9 1 1 A 76 76 MET CA C 76 55.468 54.679 0.789 1
1 828 . 9 1 1 A 76 76 MET HA H 76 4.275 4.766 -0.491 1
1 829 . 9 1 1 A 76 76 MET CB C 76 34.487 33.412 1.075 1
1 837 . 9 1 1 A 76 76 MET C C 76 175.964 175.952 0.012 1
1 840 . 9 1 1 A 77 77 GLY N N 77 106.906 108.368 -1.462 1
1 841 . 9 1 1 A 77 77 GLY H H 77 9.058 7.733 1.325 1
1 842 . 9 1 1 A 77 77 GLY CA C 77 43.832 45.783 -1.951 1
1 843 . 9 1 1 A 77 77 GLY HA3 H 77 3.944 4.097 -0.153 1
1 844 . 9 1 1 A 77 77 GLY C C 77 176.459 172.281 4.178 1
1 845 . 9 1 1 A 77 77 GLY HA2 H 77 4.787 4.068 0.719 1
1 846 . 9 1 1 A 78 78 VAL N N 78 125.184 122.628 2.556 1
1 847 . 9 1 1 A 78 78 VAL H H 78 9.293 8.303 0.990 1
1 848 . 9 1 1 A 78 78 VAL CA C 78 64.999 60.539 4.460 1
1 849 . 9 1 1 A 78 78 VAL HA H 78 4.178 4.588 -0.410 1
1 850 . 9 1 1 A 78 78 VAL CB C 78 31.558 33.252 -1.694 1
1 860 . 9 1 1 A 78 78 VAL C C 78 175.942 173.776 2.166 1
1 861 . 9 1 1 A 79 79 HIS N N 79 128.345 126.696 1.649 1
1 862 . 9 1 1 A 79 79 HIS H H 79 9.553 8.566 0.987 1
1 863 . 9 1 1 A 79 79 HIS CA C 79 55.063 54.587 0.476 1
1 864 . 9 1 1 A 79 79 HIS HA H 79 4.798 5.015 -0.217 1
1 865 . 9 1 1 A 79 79 HIS CB C 79 31.489 30.787 0.702 1
1 871 . 9 1 1 A 79 79 HIS C C 79 174.069 174.523 -0.454 1
1 873 . 9 1 1 A 80 80 THR N N 80 114.672 117.925 -3.253 1
1 874 . 9 1 1 A 80 80 THR H H 80 8.452 8.593 -0.141 1
1 875 . 9 1 1 A 80 80 THR CA C 80 61.075 61.700 -0.625 1
1 876 . 9 1 1 A 80 80 THR HA H 80 5.213 4.995 0.218 1
1 877 . 9 1 1 A 80 80 THR CB C 80 70.795 70.799 -0.004 1
1 883 . 9 1 1 A 80 80 THR C C 80 173.863 173.184 0.679 1
1 884 . 9 1 1 A 81 81 VAL N N 81 127.546 128.881 -1.335 1
1 885 . 9 1 1 A 81 81 VAL H H 81 9.701 9.554 0.147 1
1 886 . 9 1 1 A 81 81 VAL CA C 81 60.799 62.002 -1.203 1
1 887 . 9 1 1 A 81 81 VAL HA H 81 4.782 4.493 0.289 1
1 888 . 9 1 1 A 81 81 VAL CB C 81 33.635 32.762 0.873 1
1 898 . 9 1 1 A 81 81 VAL C C 81 174.707 174.650 0.057 1
1 899 . 9 1 1 A 82 82 SER N N 82 123.308 122.901 0.407 1
1 900 . 9 1 1 A 82 82 SER H H 82 9.104 9.266 -0.162 1
1 901 . 9 1 1 A 82 82 SER CA C 82 56.981 57.066 -0.085 1
1 902 . 9 1 1 A 82 82 SER HA H 82 5.108 4.886 0.222 1
1 903 . 9 1 1 A 82 82 SER CB C 82 64.728 63.840 0.888 1
1 905 . 9 1 1 A 82 82 SER C C 82 173.688 173.152 0.536 1
1 907 . 9 1 1 A 83 83 VAL N N 83 129.049 128.069 0.980 1
1 908 . 9 1 1 A 83 83 VAL H H 83 9.925 8.932 0.993 1
1 909 . 9 1 1 A 83 83 VAL CA C 83 61.669 61.736 -0.067 1
1 910 . 9 1 1 A 83 83 VAL HA H 83 4.897 4.904 -0.007 1
1 911 . 9 1 1 A 83 83 VAL CB C 83 33.590 32.482 1.108 1
1 921 . 9 1 1 A 83 83 VAL C C 83 174.094 175.497 -1.403 1
1 922 . 9 1 1 A 84 84 LYS N N 84 123.792 127.485 -3.693 1
1 923 . 9 1 1 A 84 84 LYS H H 84 8.768 8.664 0.104 1
1 924 . 9 1 1 A 84 84 LYS CA C 84 54.435 54.231 0.204 1
1 925 . 9 1 1 A 84 84 LYS HA H 84 5.153 4.963 0.190 1
1 926 . 9 1 1 A 84 84 LYS CB C 84 37.608 35.630 1.978 1
1 934 . 9 1 1 A 84 84 LYS C C 84 174.908 174.259 0.649 1
1 939 . 9 1 1 A 85 85 TYR N N 85 120.439 123.447 -3.008 1
1 940 . 9 1 1 A 85 85 TYR H H 85 8.926 9.095 -0.169 1
1 941 . 9 1 1 A 85 85 TYR CA C 85 56.005 57.483 -1.478 1
1 942 . 9 1 1 A 85 85 TYR HA H 85 4.938 4.829 0.109 1
1 943 . 9 1 1 A 85 85 TYR CB C 85 41.386 40.997 0.389 1
1 953 . 9 1 1 A 85 85 TYR C C 85 175.255 174.958 0.297 1
1 955 . 9 1 1 A 86 86 ARG N N 86 127.150 128.611 -1.461 1
1 956 . 9 1 1 A 86 86 ARG H H 86 9.115 9.269 -0.154 1
1 957 . 9 1 1 A 86 86 ARG CA C 86 57.122 56.879 0.243 1
1 958 . 9 1 1 A 86 86 ARG HA H 86 3.659 3.876 -0.217 1
1 959 . 9 1 1 A 86 86 ARG CB C 86 27.563 27.526 0.037 1
1 965 . 9 1 1 A 86 86 ARG C C 86 176.482 176.175 0.307 1
1 969 . 9 1 1 A 87 87 GLY N N 87 102.394 104.575 -2.181 1
1 970 . 9 1 1 A 87 87 GLY H H 87 8.564 8.563 0.001 1
1 971 . 9 1 1 A 87 87 GLY CA C 87 45.388 46.171 -0.783 1
1 972 . 9 1 1 A 87 87 GLY HA3 H 87 4.099 3.837 0.262 1
1 973 . 9 1 1 A 87 87 GLY C C 87 173.631 173.574 0.057 1
1 974 . 9 1 1 A 87 87 GLY HA2 H 87 3.460 3.824 -0.364 1
1 975 . 9 1 1 A 88 88 GLN N N 88 119.060 119.133 -0.073 1
1 976 . 9 1 1 A 88 88 GLN H H 88 7.665 7.804 -0.139 1
1 977 . 9 1 1 A 88 88 GLN CA C 88 53.265 54.188 -0.923 1
1 978 . 9 1 1 A 88 88 GLN HA H 88 4.749 4.750 -0.001 1
1 979 . 9 1 1 A 88 88 GLN CB C 88 31.383 31.661 -0.278 1
1 986 . 9 1 1 A 88 88 GLN C C 88 175.689 174.722 0.967 1
1 989 . 9 1 1 A 89 89 HIS N N 89 123.344 123.735 -0.391 1
1 990 . 9 1 1 A 89 89 HIS H H 89 8.789 8.841 -0.052 1
1 991 . 9 1 1 A 89 89 HIS CA C 89 59.011 57.434 1.577 1
1 992 . 9 1 1 A 89 89 HIS HA H 89 4.546 4.580 -0.034 1
1 993 . 9 1 1 A 89 89 HIS CB C 89 32.365 29.851 2.514 1
1 999 . 9 1 1 A 89 89 HIS C C 89 178.152 175.505 2.647 1
1 1001 . 9 1 1 A 90 90 VAL N N 90 117.749 122.358 -4.609 1
1 1002 . 9 1 1 A 90 90 VAL H H 90 8.436 8.041 0.395 1
1 1003 . 9 1 1 A 90 90 VAL CA C 90 60.473 62.022 -1.549 1
1 1004 . 9 1 1 A 90 90 VAL HA H 90 4.535 4.067 0.468 1
1 1005 . 9 1 1 A 90 90 VAL CB C 90 32.489 33.389 -0.900 1
1 1015 . 9 1 1 A 90 90 VAL C C 90 176.018 175.407 0.611 1
1 1016 . 9 1 1 A 91 91 THR N N 91 118.099 117.330 0.769 1
1 1017 . 9 1 1 A 91 91 THR H H 91 8.491 8.455 0.036 1
1 1018 . 9 1 1 A 91 91 THR CA C 91 65.519 65.208 0.311 1
1 1019 . 9 1 1 A 91 91 THR HA H 91 3.924 3.833 0.091 1
1 1020 . 9 1 1 A 91 91 THR CB C 91 68.972 68.383 0.589 1
1 1026 . 9 1 1 A 91 91 THR C C 91 174.771 175.984 -1.213 1
1 1027 . 9 1 1 A 92 92 GLY N N 92 116.032 114.863 1.169 1
1 1028 . 9 1 1 A 92 92 GLY H H 92 8.563 8.861 -0.298 1
1 1029 . 9 1 1 A 92 92 GLY CA C 92 44.842 46.361 -1.519 1
1 1030 . 9 1 1 A 92 92 GLY HA3 H 92 4.213 3.909 0.304 1
1 1031 . 9 1 1 A 92 92 GLY C C 92 172.199 173.019 -0.820 1
1 1032 . 9 1 1 A 92 92 GLY HA2 H 92 3.361 3.810 -0.449 1
1 1033 . 9 1 1 A 93 93 SER N N 93 113.106 114.702 -1.596 1
1 1034 . 9 1 1 A 93 93 SER H H 93 7.806 7.047 0.759 1
1 1035 . 9 1 1 A 93 93 SER CA C 93 54.600 54.534 0.066 1
1 1036 . 9 1 1 A 93 93 SER HA H 93 4.159 4.248 -0.089 1
1 1037 . 9 1 1 A 93 93 SER CB C 93 62.787 65.766 -2.979 1
1 1039 . 9 1 1 A 93 93 SER C C 93 174.123 171.878 2.245 1
1 1041 . 9 1 1 A 94 94 PRO CA C 94 62.619 62.215 0.404 1
1 1042 . 9 1 1 A 94 94 PRO HA H 94 5.537 4.654 0.883 1
1 1043 . 9 1 1 A 94 94 PRO CB C 94 34.521 32.357 2.164 1
1 1049 . 9 1 1 A 94 94 PRO C C 94 176.046 175.222 0.824 1
1 1053 . 9 1 1 A 95 95 PHE N N 95 120.547 120.043 0.504 1
1 1054 . 9 1 1 A 95 95 PHE H H 95 9.127 8.645 0.482 1
1 1055 . 9 1 1 A 95 95 PHE CA C 95 56.700 57.464 -0.764 1
1 1056 . 9 1 1 A 95 95 PHE HA H 95 4.844 5.127 -0.283 1
1 1057 . 9 1 1 A 95 95 PHE CB C 95 41.285 40.199 1.086 1
1 1069 . 9 1 1 A 95 95 PHE C C 95 175.219 175.080 0.139 1
1 1071 . 9 1 1 A 96 96 GLN N N 96 120.382 123.591 -3.209 1
1 1072 . 9 1 1 A 96 96 GLN H H 96 8.896 9.021 -0.125 1
1 1073 . 9 1 1 A 96 96 GLN CA C 96 55.028 55.158 -0.130 1
1 1074 . 9 1 1 A 96 96 GLN HA H 96 5.440 5.156 0.284 1
1 1075 . 9 1 1 A 96 96 GLN CB C 96 31.867 30.884 0.983 1
1 1082 . 9 1 1 A 96 96 GLN C C 96 175.480 175.714 -0.234 1
1 1085 . 9 1 1 A 97 97 PHE N N 97 121.331 119.062 2.269 1
1 1086 . 9 1 1 A 97 97 PHE H H 97 8.822 8.596 0.226 1
1 1087 . 9 1 1 A 97 97 PHE CA C 97 56.931 56.172 0.759 1
1 1088 . 9 1 1 A 97 97 PHE HA H 97 4.960 5.182 -0.222 1
1 1089 . 9 1 1 A 97 97 PHE CB C 97 42.133 41.671 0.462 1
1 1101 . 9 1 1 A 97 97 PHE C C 97 173.780 172.150 1.630 1
1 1103 . 9 1 1 A 98 98 THR N N 98 121.160 116.219 4.941 1
1 1104 . 9 1 1 A 98 98 THR H H 98 8.907 8.744 0.163 1
1 1105 . 9 1 1 A 98 98 THR CA C 98 63.381 61.857 1.524 1
1 1106 . 9 1 1 A 98 98 THR HA H 98 4.487 4.791 -0.304 1
1 1107 . 9 1 1 A 98 98 THR CB C 98 69.599 70.186 -0.587 1
1 1113 . 9 1 1 A 98 98 THR C C 98 173.058 174.147 -1.089 1
1 1114 . 9 1 1 A 99 99 VAL N N 99 128.111 125.243 2.868 1
1 1115 . 9 1 1 A 99 99 VAL H H 99 8.240 8.675 -0.435 1
1 1116 . 9 1 1 A 99 99 VAL CA C 99 61.670 60.394 1.276 1
1 1117 . 9 1 1 A 99 99 VAL HA H 99 4.271 4.879 -0.608 1
1 1118 . 9 1 1 A 99 99 VAL CB C 99 32.962 34.113 -1.151 1
1 1128 . 9 1 1 A 99 99 VAL C C 99 176.689 175.261 1.428 1
1 1129 . 9 1 1 A 100 100 GLY N N 100 118.412 111.947 6.465 1
1 1130 . 9 1 1 A 100 100 GLY H H 100 8.946 8.592 0.354 1
1 1131 . 9 1 1 A 100 100 GLY CA C 100 44.504 44.034 0.470 1
1 1132 . 9 1 1 A 100 100 GLY HA3 H 100 4.506 4.325 0.181 1
1 1133 . 9 1 1 A 100 100 GLY C C 100 170.474 172.036 -1.562 1
1 1134 . 9 1 1 A 100 100 GLY HA2 H 100 4.136 4.323 -0.187 1
1 1135 . 9 1 1 A 101 101 PRO CA C 101 62.588 62.817 -0.229 1
1 1136 . 9 1 1 A 101 101 PRO HA H 101 4.525 4.606 -0.081 1
1 1137 . 9 1 1 A 101 101 PRO CB C 101 32.641 32.923 -0.282 1
1 1143 . 9 1 1 A 101 101 PRO C C 101 176.696 176.173 0.523 1
1 1147 . 9 1 1 A 102 102 LEU N N 102 121.326 117.794 3.532 1
1 1148 . 9 1 1 A 102 102 LEU H H 102 8.374 8.338 0.036 1
1 1149 . 9 1 1 A 102 102 LEU CA C 102 55.855 52.587 3.268 1
1 1150 . 9 1 1 A 102 102 LEU HA H 102 4.221 5.151 -0.930 1
1 1151 . 9 1 1 A 102 102 LEU CB C 102 42.652 44.794 -2.142 1
1 1163 . 9 1 1 A 102 102 LEU C C 102 178.005 176.129 1.876 1
1 1165 . 9 1 1 A 103 103 GLY N N 103 110.870 107.034 3.836 1
1 1166 . 9 1 1 A 103 103 GLY H H 103 8.481 8.233 0.248 1
1 1167 . 9 1 1 A 103 103 GLY CA C 103 45.208 46.366 -1.158 1
1 1168 . 9 1 1 A 103 103 GLY HA3 H 103 3.927 4.264 -0.337 1
1 1169 . 9 1 1 A 103 103 GLY C C 103 174.126 172.442 1.684 1
1 1170 . 9 1 1 A 103 103 GLY HA2 H 103 3.991 4.264 -0.273 1
1 1171 . 9 1 1 A 104 104 GLU N N 104 120.771 120.454 0.317 1
1 1172 . 9 1 1 A 104 104 GLU H H 104 8.308 8.768 -0.460 1
1 1173 . 9 1 1 A 104 104 GLU CA C 104 56.713 54.333 2.380 1
1 1174 . 9 1 1 A 104 104 GLU HA H 104 4.318 4.882 -0.564 1
1 1175 . 9 1 1 A 104 104 GLU CB C 104 30.470 32.459 -1.989 1
1 1179 . 9 1 1 A 104 104 GLU C C 104 177.052 175.498 1.554 1
1 1182 . 9 1 1 A 105 105 GLY N N 105 110.589 107.139 3.450 1
1 1183 . 9 1 1 A 105 105 GLY H H 105 8.546 8.467 0.079 1
1 1184 . 9 1 1 A 105 105 GLY CA C 105 45.256 45.543 -0.287 1
1 1185 . 9 1 1 A 105 105 GLY HA3 H 105 3.925 3.934 -0.009 1
1 1186 . 9 1 1 A 105 105 GLY C C 105 173.795 174.724 -0.929 1
1 1187 . 9 1 1 A 105 105 GLY HA2 H 105 3.992 3.934 0.058 1
1 1 . 10 1 1 A 7 7 GLY CA C 7 45.415 45.646 -0.231 1
1 2 . 10 1 1 A 7 7 GLY HA3 H 7 3.972 4.190 -0.218 1
1 3 . 10 1 1 A 7 7 GLY C C 7 174.102 171.881 2.221 1
1 4 . 10 1 1 A 7 7 GLY HA2 H 7 3.972 4.190 -0.218 1
1 5 . 10 1 1 A 8 8 ARG N N 8 120.724 120.749 -0.025 1
1 6 . 10 1 1 A 8 8 ARG H H 8 8.124 8.539 -0.415 1
1 7 . 10 1 1 A 8 8 ARG CA C 8 56.123 56.439 -0.316 1
1 8 . 10 1 1 A 8 8 ARG HA H 8 4.363 4.402 -0.039 1
1 9 . 10 1 1 A 8 8 ARG CB C 8 30.881 31.381 -0.500 1
1 15 . 10 1 1 A 8 8 ARG C C 8 176.487 175.688 0.799 1
1 19 . 10 1 1 A 9 9 VAL N N 9 121.839 119.739 2.100 1
1 20 . 10 1 1 A 9 9 VAL H H 9 8.204 8.410 -0.206 1
1 21 . 10 1 1 A 9 9 VAL CA C 9 62.438 59.889 2.549 1
1 22 . 10 1 1 A 9 9 VAL HA H 9 4.081 4.744 -0.663 1
1 23 . 10 1 1 A 9 9 VAL CB C 9 32.773 35.259 -2.486 1
1 33 . 10 1 1 A 9 9 VAL C C 9 176.204 173.154 3.050 1
1 34 . 10 1 1 A 10 10 LYS N N 10 125.552 127.539 -1.987 1
1 35 . 10 1 1 A 10 10 LYS H H 10 8.437 8.770 -0.333 1
1 36 . 10 1 1 A 10 10 LYS CA C 10 56.575 54.288 2.287 1
1 37 . 10 1 1 A 10 10 LYS HA H 10 4.280 4.881 -0.601 1
1 38 . 10 1 1 A 10 10 LYS CB C 10 33.046 35.561 -2.515 1
1 46 . 10 1 1 A 10 10 LYS C C 10 176.486 175.111 1.375 1
1 51 . 10 1 1 A 11 11 GLU N N 11 122.741 119.645 3.096 1
1 52 . 10 1 1 A 11 11 GLU H H 11 8.490 8.634 -0.144 1
1 53 . 10 1 1 A 11 11 GLU CA C 11 56.717 54.490 2.227 1
1 54 . 10 1 1 A 11 11 GLU HA H 11 4.303 4.890 -0.587 1
1 55 . 10 1 1 A 11 11 GLU CB C 11 30.422 33.457 -3.035 1
1 59 . 10 1 1 A 11 11 GLU C C 11 176.428 176.453 -0.025 1
1 62 . 10 1 1 A 12 12 SER N N 12 117.227 117.331 -0.104 1
1 63 . 10 1 1 A 12 12 SER H H 12 8.434 8.514 -0.080 1
1 64 . 10 1 1 A 12 12 SER CA C 12 58.340 58.869 -0.529 1
1 65 . 10 1 1 A 12 12 SER HA H 12 4.477 4.501 -0.024 1
1 66 . 10 1 1 A 12 12 SER CB C 12 63.670 64.100 -0.430 1
1 68 . 10 1 1 A 12 12 SER C C 12 174.574 174.116 0.458 1
1 70 . 10 1 1 A 13 13 ILE N N 13 122.704 124.197 -1.493 1
1 71 . 10 1 1 A 13 13 ILE H H 13 8.189 8.396 -0.207 1
1 72 . 10 1 1 A 13 13 ILE CA C 13 61.364 60.084 1.280 1
1 73 . 10 1 1 A 13 13 ILE HA H 13 4.270 4.666 -0.396 1
1 74 . 10 1 1 A 13 13 ILE CB C 13 38.870 41.505 -2.635 1
1 86 . 10 1 1 A 13 13 ILE C C 13 176.445 175.470 0.975 1
1 88 . 10 1 1 A 14 14 THR N N 14 118.671 119.315 -0.644 1
1 89 . 10 1 1 A 14 14 THR H H 14 8.265 8.489 -0.224 1
1 90 . 10 1 1 A 14 14 THR CA C 14 62.080 62.455 -0.375 1
1 91 . 10 1 1 A 14 14 THR HA H 14 4.338 4.316 0.022 1
1 92 . 10 1 1 A 14 14 THR CB C 14 69.779 69.804 -0.025 1
1 98 . 10 1 1 A 14 14 THR C C 14 174.465 174.604 -0.139 1
1 99 . 10 1 1 A 15 15 ARG N N 15 124.132 124.792 -0.660 1
1 100 . 10 1 1 A 15 15 ARG H H 15 8.428 8.989 -0.561 1
1 101 . 10 1 1 A 15 15 ARG CA C 15 56.221 57.115 -0.894 1
1 102 . 10 1 1 A 15 15 ARG HA H 15 4.447 4.443 0.004 1
1 103 . 10 1 1 A 15 15 ARG CB C 15 30.949 33.336 -2.387 1
1 109 . 10 1 1 A 15 15 ARG C C 15 176.374 175.548 0.826 1
1 113 . 10 1 1 A 16 16 THR N N 16 115.339 109.654 5.685 1
1 114 . 10 1 1 A 16 16 THR H H 16 8.232 7.622 0.610 1
1 115 . 10 1 1 A 16 16 THR CA C 16 61.828 61.007 0.821 1
1 116 . 10 1 1 A 16 16 THR HA H 16 4.389 4.583 -0.194 1
1 117 . 10 1 1 A 16 16 THR CB C 16 69.896 69.906 -0.010 1
1 123 . 10 1 1 A 16 16 THR C C 16 174.518 173.894 0.624 1
1 124 . 10 1 1 A 17 17 SER N N 17 118.278 120.119 -1.841 1
1 125 . 10 1 1 A 17 17 SER H H 17 8.331 8.774 -0.443 1
1 126 . 10 1 1 A 17 17 SER CA C 17 58.326 57.490 0.836 1
1 127 . 10 1 1 A 17 17 SER HA H 17 4.500 4.905 -0.405 1
1 128 . 10 1 1 A 17 17 SER CB C 17 63.918 67.691 -3.773 1
1 130 . 10 1 1 A 17 17 SER C C 17 174.172 172.173 1.999 1
1 132 . 10 1 1 A 18 18 ARG N N 18 122.935 123.298 -0.363 1
1 133 . 10 1 1 A 18 18 ARG H H 18 8.376 8.521 -0.145 1
1 134 . 10 1 1 A 18 18 ARG CA C 18 55.772 54.665 1.107 1
1 135 . 10 1 1 A 18 18 ARG HA H 18 4.386 5.040 -0.654 1
1 136 . 10 1 1 A 18 18 ARG CB C 18 31.073 31.658 -0.585 1
1 142 . 10 1 1 A 18 18 ARG C C 18 175.493 175.322 0.171 1
1 146 . 10 1 1 A 19 19 ALA N N 19 126.804 128.528 -1.724 1
1 147 . 10 1 1 A 19 19 ALA H H 19 8.357 8.789 -0.432 1
1 148 . 10 1 1 A 19 19 ALA CA C 19 50.553 50.915 -0.362 1
1 149 . 10 1 1 A 19 19 ALA HA H 19 4.585 4.614 -0.029 1
1 150 . 10 1 1 A 19 19 ALA CB C 19 18.208 18.040 0.168 1
1 154 . 10 1 1 A 19 19 ALA C C 19 175.408 176.015 -0.607 1
1 155 . 10 1 1 A 20 20 PRO CA C 20 63.352 62.785 0.567 1
1 156 . 10 1 1 A 20 20 PRO HA H 20 4.455 4.776 -0.321 1
1 157 . 10 1 1 A 20 20 PRO CB C 20 32.196 31.575 0.621 1
1 163 . 10 1 1 A 20 20 PRO C C 20 176.846 176.214 0.632 1
1 167 . 10 1 1 A 21 21 SER N N 21 116.414 113.827 2.587 1
1 168 . 10 1 1 A 21 21 SER H H 21 8.449 8.498 -0.049 1
1 169 . 10 1 1 A 21 21 SER CA C 21 58.507 57.365 1.142 1
1 170 . 10 1 1 A 21 21 SER HA H 21 4.475 4.864 -0.389 1
1 171 . 10 1 1 A 21 21 SER CB C 21 63.851 66.088 -2.237 1
1 173 . 10 1 1 A 21 21 SER C C 21 174.344 172.797 1.547 1
1 175 . 10 1 1 A 22 22 VAL N N 22 120.580 118.635 1.945 1
1 176 . 10 1 1 A 22 22 VAL H H 22 8.110 8.577 -0.467 1
1 177 . 10 1 1 A 22 22 VAL CA C 22 61.788 59.927 1.861 1
1 178 . 10 1 1 A 22 22 VAL HA H 22 4.293 4.699 -0.406 1
1 179 . 10 1 1 A 22 22 VAL CB C 22 33.445 33.763 -0.318 1
1 189 . 10 1 1 A 22 22 VAL C C 22 175.160 174.864 0.296 1
1 190 . 10 1 1 A 23 23 ALA N N 23 127.788 122.616 5.172 1
1 191 . 10 1 1 A 23 23 ALA H H 23 8.428 8.507 -0.079 1
1 192 . 10 1 1 A 23 23 ALA CA C 23 51.790 51.598 0.192 1
1 193 . 10 1 1 A 23 23 ALA HA H 23 4.594 4.676 -0.082 1
1 194 . 10 1 1 A 23 23 ALA CB C 23 21.050 22.895 -1.845 1
1 198 . 10 1 1 A 23 23 ALA C C 23 176.198 175.235 0.963 1
1 199 . 10 1 1 A 24 24 THR N N 24 115.139 115.168 -0.029 1
1 200 . 10 1 1 A 24 24 THR H H 24 8.338 8.646 -0.308 1
1 201 . 10 1 1 A 24 24 THR CA C 24 60.519 59.497 1.022 1
1 202 . 10 1 1 A 24 24 THR HA H 24 4.674 4.890 -0.216 1
1 203 . 10 1 1 A 24 24 THR CB C 24 72.048 71.378 0.670 1
1 209 . 10 1 1 A 24 24 THR C C 24 173.979 171.761 2.218 1
1 210 . 10 1 1 A 25 25 VAL N N 25 122.772 121.755 1.017 1
1 211 . 10 1 1 A 25 25 VAL H H 25 8.002 8.238 -0.236 1
1 212 . 10 1 1 A 25 25 VAL CA C 25 64.582 59.712 4.870 1
1 213 . 10 1 1 A 25 25 VAL HA H 25 3.280 4.662 -1.382 1
1 214 . 10 1 1 A 25 25 VAL CB C 25 32.102 34.439 -2.337 1
1 224 . 10 1 1 A 25 25 VAL C C 25 176.709 175.658 1.051 1
1 225 . 10 1 1 A 26 26 GLY N N 26 112.345 115.981 -3.636 1
1 226 . 10 1 1 A 26 26 GLY H H 26 8.344 8.912 -0.568 1
1 227 . 10 1 1 A 26 26 GLY CA C 26 45.534 46.563 -1.029 1
1 228 . 10 1 1 A 26 26 GLY HA3 H 26 4.166 3.870 0.296 1
1 229 . 10 1 1 A 26 26 GLY C C 26 173.701 173.408 0.293 1
1 230 . 10 1 1 A 26 26 GLY HA2 H 26 3.519 3.865 -0.346 1
1 231 . 10 1 1 A 27 27 SER N N 27 116.474 113.108 3.366 1
1 232 . 10 1 1 A 27 27 SER H H 27 7.738 7.620 0.118 1
1 233 . 10 1 1 A 27 27 SER CA C 27 57.264 57.512 -0.248 1
1 234 . 10 1 1 A 27 27 SER HA H 27 4.692 4.610 0.082 1
1 235 . 10 1 1 A 27 27 SER CB C 27 65.270 64.267 1.003 1
1 237 . 10 1 1 A 27 27 SER C C 27 172.491 172.714 -0.223 1
1 239 . 10 1 1 A 28 28 ILE N N 28 122.052 124.195 -2.143 1
1 240 . 10 1 1 A 28 28 ILE H H 28 8.350 8.735 -0.385 1
1 241 . 10 1 1 A 28 28 ILE CA C 28 62.995 61.392 1.603 1
1 242 . 10 1 1 A 28 28 ILE HA H 28 3.693 4.371 -0.678 1
1 243 . 10 1 1 A 28 28 ILE CB C 28 38.221 36.909 1.312 1
1 255 . 10 1 1 A 28 28 ILE C C 28 175.624 175.547 0.077 1
1 257 . 10 1 1 A 29 29 CYS N N 29 129.493 126.718 2.775 1
1 258 . 10 1 1 A 29 29 CYS H H 29 8.730 8.189 0.541 1
1 259 . 10 1 1 A 29 29 CYS CA C 29 58.201 58.044 0.157 1
1 260 . 10 1 1 A 29 29 CYS HA H 29 4.451 4.785 -0.334 1
1 261 . 10 1 1 A 29 29 CYS CB C 29 28.560 28.315 0.245 1
1 263 . 10 1 1 A 29 29 CYS C C 29 171.207 173.938 -2.731 1
1 265 . 10 1 1 A 30 30 ASP N N 30 123.789 123.643 0.146 1
1 266 . 10 1 1 A 30 30 ASP H H 30 8.000 8.822 -0.822 1
1 267 . 10 1 1 A 30 30 ASP CA C 30 52.692 52.789 -0.097 1
1 268 . 10 1 1 A 30 30 ASP HA H 30 5.315 5.410 -0.095 1
1 269 . 10 1 1 A 30 30 ASP CB C 30 43.397 41.869 1.528 1
1 271 . 10 1 1 A 30 30 ASP C C 30 175.569 174.368 1.201 1
1 273 . 10 1 1 A 31 31 LEU N N 31 125.116 126.341 -1.225 1
1 274 . 10 1 1 A 31 31 LEU H H 31 9.147 9.154 -0.007 1
1 275 . 10 1 1 A 31 31 LEU CA C 31 53.606 53.795 -0.189 1
1 276 . 10 1 1 A 31 31 LEU HA H 31 4.515 4.823 -0.308 1
1 277 . 10 1 1 A 31 31 LEU CB C 31 43.262 43.895 -0.633 1
1 289 . 10 1 1 A 31 31 LEU C C 31 174.935 175.316 -0.381 1
1 291 . 10 1 1 A 32 32 ASN N N 32 124.687 126.863 -2.176 1
1 292 . 10 1 1 A 32 32 ASN H H 32 8.690 8.967 -0.277 1
1 293 . 10 1 1 A 32 32 ASN CA C 32 53.696 53.273 0.423 1
1 294 . 10 1 1 A 32 32 ASN HA H 32 5.077 5.022 0.055 1
1 295 . 10 1 1 A 32 32 ASN CB C 32 39.842 39.521 0.321 1
1 300 . 10 1 1 A 32 32 ASN C C 32 174.322 174.047 0.275 1
1 302 . 10 1 1 A 33 33 LEU N N 33 123.838 127.268 -3.430 1
1 303 . 10 1 1 A 33 33 LEU H H 33 8.912 8.852 0.060 1
1 304 . 10 1 1 A 33 33 LEU CA C 33 53.820 53.104 0.716 1
1 305 . 10 1 1 A 33 33 LEU HA H 33 4.638 5.021 -0.383 1
1 306 . 10 1 1 A 33 33 LEU CB C 33 45.587 45.354 0.233 1
1 318 . 10 1 1 A 33 33 LEU C C 33 175.719 175.760 -0.041 1
1 320 . 10 1 1 A 34 34 LYS N N 34 124.925 121.205 3.720 1
1 321 . 10 1 1 A 34 34 LYS H H 34 8.718 8.600 0.118 1
1 322 . 10 1 1 A 34 34 LYS CA C 34 55.079 56.294 -1.215 1
1 323 . 10 1 1 A 34 34 LYS HA H 34 5.036 4.495 0.541 1
1 324 . 10 1 1 A 34 34 LYS CB C 34 32.121 31.406 0.715 1
1 332 . 10 1 1 A 34 34 LYS C C 34 176.081 175.878 0.203 1
1 337 . 10 1 1 A 35 35 ILE N N 35 123.769 124.750 -0.981 1
1 338 . 10 1 1 A 35 35 ILE H H 35 7.935 8.030 -0.095 1
1 339 . 10 1 1 A 35 35 ILE CA C 35 58.161 58.351 -0.190 1
1 340 . 10 1 1 A 35 35 ILE HA H 35 4.612 4.537 0.075 1
1 341 . 10 1 1 A 35 35 ILE CB C 35 40.616 37.777 2.839 1
1 353 . 10 1 1 A 35 35 ILE C C 35 173.405 174.621 -1.216 1
1 355 . 10 1 1 A 36 36 PRO CA C 36 63.143 62.289 0.854 1
1 356 . 10 1 1 A 36 36 PRO HA H 36 4.435 4.588 -0.153 1
1 357 . 10 1 1 A 36 36 PRO CB C 36 32.806 33.350 -0.544 1
1 363 . 10 1 1 A 36 36 PRO C C 36 176.844 177.537 -0.693 1
1 367 . 10 1 1 A 37 37 GLU N N 37 114.188 120.068 -5.880 1
1 368 . 10 1 1 A 37 37 GLU H H 37 8.358 8.866 -0.508 1
1 369 . 10 1 1 A 37 37 GLU CA C 37 59.038 58.846 0.192 1
1 370 . 10 1 1 A 37 37 GLU HA H 37 3.916 4.094 -0.178 1
1 371 . 10 1 1 A 37 37 GLU CB C 37 28.206 28.794 -0.588 1
1 375 . 10 1 1 A 37 37 GLU C C 37 175.996 177.451 -1.455 1
1 378 . 10 1 1 A 38 38 ILE N N 38 118.733 123.822 -5.089 1
1 379 . 10 1 1 A 38 38 ILE H H 38 7.679 7.470 0.209 1
1 380 . 10 1 1 A 38 38 ILE CA C 38 60.711 62.085 -1.374 1
1 381 . 10 1 1 A 38 38 ILE HA H 38 4.029 3.920 0.109 1
1 382 . 10 1 1 A 38 38 ILE CB C 38 40.278 37.914 2.364 1
1 394 . 10 1 1 A 38 38 ILE C C 38 175.255 176.329 -1.074 1
1 396 . 10 1 1 A 39 39 ASN H H 39 8.593 8.594 -0.001 1
1 397 . 10 1 1 A 39 39 ASN CA C 39 52.929 52.681 0.248 1
1 398 . 10 1 1 A 39 39 ASN HA H 39 4.921 5.059 -0.138 1
1 399 . 10 1 1 A 39 39 ASN CB C 39 39.419 39.787 -0.368 1
1 404 . 10 1 1 A 39 39 ASN C C 39 176.891 175.854 1.037 1
1 406 . 10 1 1 A 40 40 SER N N 40 120.676 116.718 3.958 1
1 407 . 10 1 1 A 40 40 SER H H 40 8.995 8.782 0.213 1
1 408 . 10 1 1 A 40 40 SER CA C 40 62.318 60.238 2.080 1
1 409 . 10 1 1 A 40 40 SER HA H 40 4.058 4.259 -0.201 1
1 410 . 10 1 1 A 40 40 SER CB C 40 63.297 63.602 -0.305 1
1 412 . 10 1 1 A 40 40 SER C C 40 176.866 175.970 0.896 1
1 414 . 10 1 1 A 41 41 SER N N 41 112.249 116.816 -4.567 1
1 415 . 10 1 1 A 41 41 SER H H 41 8.253 8.131 0.122 1
1 416 . 10 1 1 A 41 41 SER CA C 41 60.133 60.852 -0.719 1
1 417 . 10 1 1 A 41 41 SER HA H 41 4.348 4.288 0.060 1
1 418 . 10 1 1 A 41 41 SER CB C 41 62.986 62.555 0.431 1
1 420 . 10 1 1 A 41 41 SER C C 41 174.885 175.079 -0.194 1
1 422 . 10 1 1 A 42 42 ASP N N 42 119.471 119.031 0.440 1
1 423 . 10 1 1 A 42 42 ASP H H 42 7.835 8.482 -0.647 1
1 424 . 10 1 1 A 42 42 ASP CA C 42 54.713 54.327 0.386 1
1 425 . 10 1 1 A 42 42 ASP HA H 42 4.933 4.720 0.213 1
1 426 . 10 1 1 A 42 42 ASP CB C 42 42.479 41.983 0.496 1
1 428 . 10 1 1 A 42 42 ASP C C 42 175.586 176.191 -0.605 1
1 430 . 10 1 1 A 43 43 MET N N 43 119.155 119.098 0.057 1
1 431 . 10 1 1 A 43 43 MET H H 43 7.549 7.748 -0.199 1
1 432 . 10 1 1 A 43 43 MET CA C 43 54.927 55.058 -0.131 1
1 433 . 10 1 1 A 43 43 MET HA H 43 5.359 4.795 0.564 1
1 434 . 10 1 1 A 43 43 MET CB C 43 37.158 34.115 3.043 1
1 442 . 10 1 1 A 43 43 MET C C 43 174.894 175.147 -0.253 1
1 445 . 10 1 1 A 44 44 SER N N 44 114.070 112.474 1.596 1
1 446 . 10 1 1 A 44 44 SER H H 44 8.739 8.457 0.282 1
1 447 . 10 1 1 A 44 44 SER CA C 44 56.937 57.151 -0.214 1
1 448 . 10 1 1 A 44 44 SER HA H 44 4.700 5.244 -0.544 1
1 449 . 10 1 1 A 44 44 SER CB C 44 66.247 66.255 -0.008 1
1 451 . 10 1 1 A 44 44 SER C C 44 172.764 172.834 -0.070 1
1 453 . 10 1 1 A 45 45 ALA N N 45 126.192 126.327 -0.135 1
1 454 . 10 1 1 A 45 45 ALA H H 45 9.123 8.696 0.427 1
1 455 . 10 1 1 A 45 45 ALA CA C 45 50.378 49.836 0.542 1
1 456 . 10 1 1 A 45 45 ALA HA H 45 5.741 5.439 0.302 1
1 457 . 10 1 1 A 45 45 ALA CB C 45 23.330 22.117 1.213 1
1 461 . 10 1 1 A 45 45 ALA C C 45 175.089 175.726 -0.637 1
1 462 . 10 1 1 A 46 46 HIS N N 46 119.075 118.483 0.592 1
1 463 . 10 1 1 A 46 46 HIS H H 46 8.701 8.877 -0.176 1
1 464 . 10 1 1 A 46 46 HIS CA C 46 55.999 54.842 1.157 1
1 465 . 10 1 1 A 46 46 HIS HA H 46 5.157 5.145 0.012 1
1 466 . 10 1 1 A 46 46 HIS CB C 46 34.239 33.787 0.452 1
1 472 . 10 1 1 A 46 46 HIS C C 46 174.155 174.016 0.139 1
1 474 . 10 1 1 A 47 47 VAL N N 47 125.059 123.864 1.195 1
1 475 . 10 1 1 A 47 47 VAL H H 47 9.488 8.898 0.590 1
1 476 . 10 1 1 A 47 47 VAL CA C 47 60.604 62.248 -1.644 1
1 477 . 10 1 1 A 47 47 VAL HA H 47 4.730 4.482 0.248 1
1 478 . 10 1 1 A 47 47 VAL CB C 47 33.769 31.763 2.006 1
1 488 . 10 1 1 A 47 47 VAL C C 47 175.126 175.439 -0.313 1
1 489 . 10 1 1 A 48 48 THR N N 48 124.473 124.290 0.183 1
1 490 . 10 1 1 A 48 48 THR H H 48 9.432 8.949 0.483 1
1 491 . 10 1 1 A 48 48 THR CA C 48 61.766 62.375 -0.609 1
1 492 . 10 1 1 A 48 48 THR HA H 48 5.164 4.774 0.390 1
1 493 . 10 1 1 A 48 48 THR CB C 48 69.384 69.922 -0.538 1
1 499 . 10 1 1 A 48 48 THR C C 48 174.573 174.821 -0.248 1
1 500 . 10 1 1 A 49 49 SER N N 49 125.657 120.817 4.840 1
1 501 . 10 1 1 A 49 49 SER H H 49 9.043 9.056 -0.013 1
1 502 . 10 1 1 A 49 49 SER CA C 49 56.638 56.634 0.004 1
1 503 . 10 1 1 A 49 49 SER HA H 49 4.225 4.862 -0.637 1
1 504 . 10 1 1 A 49 49 SER CB C 49 62.948 63.511 -0.563 1
1 506 . 10 1 1 A 49 49 SER C C 49 174.034 174.972 -0.938 1
1 508 . 10 1 1 A 50 50 PRO CA C 50 65.784 64.063 1.721 1
1 509 . 10 1 1 A 50 50 PRO HA H 50 4.260 4.496 -0.236 1
1 510 . 10 1 1 A 50 50 PRO CB C 50 31.493 31.736 -0.243 1
1 516 . 10 1 1 A 50 50 PRO C C 50 177.687 177.143 0.544 1
1 520 . 10 1 1 A 51 51 SER N N 51 110.322 111.130 -0.808 1
1 521 . 10 1 1 A 51 51 SER H H 51 8.349 7.864 0.485 1
1 522 . 10 1 1 A 51 51 SER CA C 51 59.076 59.226 -0.150 1
1 523 . 10 1 1 A 51 51 SER HA H 51 4.332 4.590 -0.258 1
1 524 . 10 1 1 A 51 51 SER CB C 51 62.825 63.342 -0.517 1
1 526 . 10 1 1 A 51 51 SER C C 51 175.363 175.026 0.337 1
1 528 . 10 1 1 A 52 52 GLY N N 52 111.132 108.458 2.674 1
1 529 . 10 1 1 A 52 52 GLY H H 52 8.289 7.109 1.180 1
1 530 . 10 1 1 A 52 52 GLY CA C 52 44.831 45.195 -0.364 1
1 531 . 10 1 1 A 52 52 GLY HA3 H 52 4.302 4.088 0.214 1
1 532 . 10 1 1 A 52 52 GLY C C 52 174.002 173.949 0.053 1
1 533 . 10 1 1 A 52 52 GLY HA2 H 52 3.421 4.086 -0.665 1
1 534 . 10 1 1 A 53 53 ARG N N 53 121.515 119.318 2.197 1
1 535 . 10 1 1 A 53 53 ARG H H 53 7.322 7.217 0.105 1
1 536 . 10 1 1 A 53 53 ARG CA C 53 56.749 54.075 2.674 1
1 537 . 10 1 1 A 53 53 ARG HA H 53 4.222 4.846 -0.624 1
1 538 . 10 1 1 A 53 53 ARG CB C 53 30.430 33.712 -3.282 1
1 544 . 10 1 1 A 53 53 ARG C C 53 176.023 175.046 0.977 1
1 548 . 10 1 1 A 54 54 VAL N N 54 128.383 121.716 6.667 1
1 549 . 10 1 1 A 54 54 VAL H H 54 8.780 8.685 0.095 1
1 550 . 10 1 1 A 54 54 VAL CA C 54 61.533 61.028 0.505 1
1 551 . 10 1 1 A 54 54 VAL HA H 54 5.243 4.957 0.286 1
1 552 . 10 1 1 A 54 54 VAL CB C 54 33.205 34.723 -1.518 1
1 562 . 10 1 1 A 54 54 VAL C C 54 176.783 175.612 1.171 1
1 563 . 10 1 1 A 55 55 THR N N 55 121.757 118.014 3.743 1
1 564 . 10 1 1 A 55 55 THR H H 55 9.188 8.692 0.496 1
1 565 . 10 1 1 A 55 55 THR CA C 55 60.216 59.851 0.365 1
1 566 . 10 1 1 A 55 55 THR HA H 55 4.751 5.198 -0.447 1
1 567 . 10 1 1 A 55 55 THR CB C 55 71.896 71.014 0.882 1
1 573 . 10 1 1 A 55 55 THR C C 55 173.454 172.571 0.883 1
1 574 . 10 1 1 A 56 56 GLU N N 56 125.373 121.090 4.283 1
1 575 . 10 1 1 A 56 56 GLU H H 56 8.927 8.924 0.003 1
1 576 . 10 1 1 A 56 56 GLU CA C 56 57.019 54.462 2.557 1
1 577 . 10 1 1 A 56 56 GLU HA H 56 4.365 5.213 -0.848 1
1 578 . 10 1 1 A 56 56 GLU CB C 56 30.230 33.401 -3.171 1
1 582 . 10 1 1 A 56 56 GLU C C 56 175.556 174.773 0.783 1
1 585 . 10 1 1 A 57 57 ALA N N 57 128.204 126.973 1.231 1
1 586 . 10 1 1 A 57 57 ALA H H 57 8.201 8.715 -0.514 1
1 587 . 10 1 1 A 57 57 ALA CA C 57 50.068 49.980 0.088 1
1 588 . 10 1 1 A 57 57 ALA HA H 57 4.827 5.165 -0.338 1
1 589 . 10 1 1 A 57 57 ALA CB C 57 21.531 22.956 -1.425 1
1 593 . 10 1 1 A 57 57 ALA C C 57 175.178 174.997 0.181 1
1 594 . 10 1 1 A 58 58 GLU N N 58 120.950 120.255 0.695 1
1 595 . 10 1 1 A 58 58 GLU H H 58 8.202 8.692 -0.490 1
1 596 . 10 1 1 A 58 58 GLU CA C 58 55.505 55.317 0.188 1
1 597 . 10 1 1 A 58 58 GLU HA H 58 4.509 4.955 -0.446 1
1 598 . 10 1 1 A 58 58 GLU CB C 58 32.301 31.922 0.379 1
1 602 . 10 1 1 A 58 58 GLU C C 58 175.025 175.062 -0.037 1
1 605 . 10 1 1 A 59 59 ILE N N 59 122.574 126.118 -3.544 1
1 606 . 10 1 1 A 59 59 ILE H H 59 8.578 8.984 -0.406 1
1 607 . 10 1 1 A 59 59 ILE CA C 59 60.355 60.131 0.224 1
1 608 . 10 1 1 A 59 59 ILE HA H 59 4.954 4.751 0.203 1
1 609 . 10 1 1 A 59 59 ILE CB C 59 38.374 39.052 -0.678 1
1 621 . 10 1 1 A 59 59 ILE C C 59 175.709 175.501 0.208 1
1 623 . 10 1 1 A 60 60 VAL N N 60 129.074 128.644 0.430 1
1 624 . 10 1 1 A 60 60 VAL H H 60 9.543 8.955 0.588 1
1 625 . 10 1 1 A 60 60 VAL CA C 60 58.472 60.855 -2.383 1
1 626 . 10 1 1 A 60 60 VAL HA H 60 4.737 4.221 0.516 1
1 627 . 10 1 1 A 60 60 VAL CB C 60 34.522 32.325 2.197 1
1 637 . 10 1 1 A 60 60 VAL C C 60 174.024 174.558 -0.534 1
1 638 . 10 1 1 A 61 61 PRO CA C 61 63.313 62.570 0.743 1
1 639 . 10 1 1 A 61 61 PRO HA H 61 4.611 4.733 -0.122 1
1 640 . 10 1 1 A 61 61 PRO CB C 61 32.270 32.065 0.205 1
1 646 . 10 1 1 A 61 61 PRO C C 61 177.388 176.051 1.337 1
1 650 . 10 1 1 A 62 62 MET N N 62 122.153 119.987 2.166 1
1 651 . 10 1 1 A 62 62 MET H H 62 7.843 8.379 -0.536 1
1 652 . 10 1 1 A 62 62 MET CA C 62 53.470 57.382 -3.912 1
1 653 . 10 1 1 A 62 62 MET HA H 62 4.765 4.388 0.377 1
1 654 . 10 1 1 A 62 62 MET CB C 62 33.144 33.240 -0.096 1
1 662 . 10 1 1 A 62 62 MET C C 62 175.742 176.286 -0.544 1
1 665 . 10 1 1 A 63 63 GLY N N 63 109.196 103.694 5.502 1
1 666 . 10 1 1 A 63 63 GLY H H 63 7.757 6.785 0.972 1
1 667 . 10 1 1 A 63 63 GLY CA C 63 44.092 46.031 -1.939 1
1 668 . 10 1 1 A 63 63 GLY HA3 H 63 4.193 4.038 0.155 1
1 669 . 10 1 1 A 63 63 GLY C C 63 173.451 172.052 1.399 1
1 670 . 10 1 1 A 63 63 GLY HA2 H 63 3.757 4.031 -0.274 1
1 671 . 10 1 1 A 64 64 LYS CA C 64 58.104 56.833 1.271 1
1 672 . 10 1 1 A 64 64 LYS HA H 64 3.994 4.205 -0.211 1
1 673 . 10 1 1 A 64 64 LYS CB C 64 31.766 32.146 -0.380 1
1 681 . 10 1 1 A 64 64 LYS C C 64 177.657 177.245 0.412 1
1 686 . 10 1 1 A 65 65 ASN N N 65 117.648 124.203 -6.555 1
1 687 . 10 1 1 A 65 65 ASN H H 65 8.860 8.734 0.126 1
1 688 . 10 1 1 A 65 65 ASN CA C 65 54.222 53.924 0.298 1
1 689 . 10 1 1 A 65 65 ASN HA H 65 4.587 4.413 0.174 1
1 690 . 10 1 1 A 65 65 ASN CB C 65 38.313 36.317 1.996 1
1 695 . 10 1 1 A 65 65 ASN C C 65 173.302 174.213 -0.911 1
1 697 . 10 1 1 A 66 66 SER N N 66 112.701 114.642 -1.941 1
1 698 . 10 1 1 A 66 66 SER H H 66 7.367 6.858 0.509 1
1 699 . 10 1 1 A 66 66 SER CA C 66 57.766 57.388 0.378 1
1 700 . 10 1 1 A 66 66 SER HA H 66 5.112 5.130 -0.018 1
1 701 . 10 1 1 A 66 66 SER CB C 66 65.000 65.683 -0.683 1
1 703 . 10 1 1 A 66 66 SER C C 66 172.793 172.720 0.073 1
1 705 . 10 1 1 A 67 67 HIS N N 67 124.096 120.436 3.660 1
1 706 . 10 1 1 A 67 67 HIS H H 67 8.735 8.767 -0.032 1
1 707 . 10 1 1 A 67 67 HIS CA C 67 55.123 54.731 0.392 1
1 708 . 10 1 1 A 67 67 HIS HA H 67 4.975 4.991 -0.016 1
1 709 . 10 1 1 A 67 67 HIS CB C 67 34.914 33.885 1.029 1
1 715 . 10 1 1 A 67 67 HIS C C 67 173.884 173.781 0.103 1
1 717 . 10 1 1 A 68 68 CYS N N 68 122.598 121.486 1.112 1
1 718 . 10 1 1 A 68 68 CYS H H 68 9.333 8.775 0.558 1
1 719 . 10 1 1 A 68 68 CYS CA C 68 56.907 57.466 -0.559 1
1 720 . 10 1 1 A 68 68 CYS HA H 68 5.311 5.156 0.155 1
1 721 . 10 1 1 A 68 68 CYS CB C 68 29.314 30.931 -1.617 1
1 723 . 10 1 1 A 68 68 CYS C C 68 173.554 172.808 0.746 1
1 725 . 10 1 1 A 69 69 VAL N N 69 128.613 126.255 2.358 1
1 726 . 10 1 1 A 69 69 VAL H H 69 9.074 8.370 0.704 1
1 727 . 10 1 1 A 69 69 VAL CA C 69 61.632 61.381 0.251 1
1 728 . 10 1 1 A 69 69 VAL HA H 69 4.725 5.068 -0.343 1
1 729 . 10 1 1 A 69 69 VAL CB C 69 32.387 34.086 -1.699 1
1 739 . 10 1 1 A 69 69 VAL C C 69 174.230 175.069 -0.839 1
1 740 . 10 1 1 A 70 70 ARG N N 70 128.053 125.839 2.214 1
1 741 . 10 1 1 A 70 70 ARG H H 70 9.052 8.572 0.480 1
1 742 . 10 1 1 A 70 70 ARG CA C 70 54.797 54.816 -0.019 1
1 743 . 10 1 1 A 70 70 ARG HA H 70 5.761 5.427 0.334 1
1 744 . 10 1 1 A 70 70 ARG CB C 70 34.395 32.573 1.822 1
1 751 . 10 1 1 A 70 70 ARG C C 70 175.918 174.967 0.951 1
1 755 . 10 1 1 A 71 71 PHE N N 71 122.942 117.260 5.682 1
1 756 . 10 1 1 A 71 71 PHE H H 71 8.702 8.307 0.395 1
1 757 . 10 1 1 A 71 71 PHE CA C 71 55.748 56.260 -0.512 1
1 758 . 10 1 1 A 71 71 PHE HA H 71 4.936 5.131 -0.195 1
1 759 . 10 1 1 A 71 71 PHE CB C 71 41.245 40.956 0.289 1
1 771 . 10 1 1 A 71 71 PHE C C 71 171.709 172.139 -0.430 1
1 773 . 10 1 1 A 72 72 VAL N N 72 122.214 120.195 2.019 1
1 774 . 10 1 1 A 72 72 VAL H H 72 8.512 8.766 -0.254 1
1 775 . 10 1 1 A 72 72 VAL CA C 72 58.398 59.201 -0.803 1
1 776 . 10 1 1 A 72 72 VAL HA H 72 4.752 4.652 0.100 1
1 777 . 10 1 1 A 72 72 VAL CB C 72 32.747 32.044 0.703 1
1 787 . 10 1 1 A 72 72 VAL C C 72 174.416 174.885 -0.469 1
1 788 . 10 1 1 A 73 73 PRO CA C 73 62.606 62.524 0.082 1
1 789 . 10 1 1 A 73 73 PRO HA H 73 4.646 5.065 -0.419 1
1 790 . 10 1 1 A 73 73 PRO CB C 73 33.679 29.435 4.244 1
1 796 . 10 1 1 A 73 73 PRO C C 73 176.757 175.544 1.213 1
1 800 . 10 1 1 A 74 74 GLN N N 74 119.992 118.593 1.399 1
1 801 . 10 1 1 A 74 74 GLN H H 74 9.869 8.306 1.563 1
1 802 . 10 1 1 A 74 74 GLN CA C 74 55.156 54.303 0.853 1
1 803 . 10 1 1 A 74 74 GLN HA H 74 4.602 5.356 -0.754 1
1 804 . 10 1 1 A 74 74 GLN CB C 74 31.405 30.465 0.940 1
1 811 . 10 1 1 A 74 74 GLN C C 74 174.987 174.162 0.825 1
1 814 . 10 1 1 A 75 75 GLU N N 75 119.264 124.144 -4.880 1
1 815 . 10 1 1 A 75 75 GLU H H 75 8.009 9.091 -1.082 1
1 816 . 10 1 1 A 75 75 GLU CA C 75 54.138 55.088 -0.950 1
1 817 . 10 1 1 A 75 75 GLU HA H 75 4.657 4.891 -0.234 1
1 818 . 10 1 1 A 75 75 GLU CB C 75 34.046 32.963 1.083 1
1 822 . 10 1 1 A 75 75 GLU C C 75 173.922 174.942 -1.020 1
1 825 . 10 1 1 A 76 76 MET N N 76 117.176 120.400 -3.224 1
1 826 . 10 1 1 A 76 76 MET H H 76 8.450 8.669 -0.219 1
1 827 . 10 1 1 A 76 76 MET CA C 76 55.468 55.795 -0.327 1
1 828 . 10 1 1 A 76 76 MET HA H 76 4.275 4.765 -0.490 1
1 829 . 10 1 1 A 76 76 MET CB C 76 34.487 33.325 1.162 1
1 837 . 10 1 1 A 76 76 MET C C 76 175.964 175.756 0.208 1
1 840 . 10 1 1 A 77 77 GLY N N 77 106.906 106.751 0.155 1
1 841 . 10 1 1 A 77 77 GLY H H 77 9.058 7.686 1.372 1
1 842 . 10 1 1 A 77 77 GLY CA C 77 43.832 46.106 -2.274 1
1 843 . 10 1 1 A 77 77 GLY HA3 H 77 3.944 4.070 -0.126 1
1 844 . 10 1 1 A 77 77 GLY C C 77 176.459 172.096 4.363 1
1 845 . 10 1 1 A 77 77 GLY HA2 H 77 4.787 4.043 0.744 1
1 846 . 10 1 1 A 78 78 VAL N N 78 125.184 121.705 3.479 1
1 847 . 10 1 1 A 78 78 VAL H H 78 9.293 8.250 1.043 1
1 848 . 10 1 1 A 78 78 VAL CA C 78 64.999 62.015 2.984 1
1 849 . 10 1 1 A 78 78 VAL HA H 78 4.178 4.394 -0.216 1
1 850 . 10 1 1 A 78 78 VAL CB C 78 31.558 32.778 -1.220 1
1 860 . 10 1 1 A 78 78 VAL C C 78 175.942 175.147 0.795 1
1 861 . 10 1 1 A 79 79 HIS N N 79 128.345 127.529 0.816 1
1 862 . 10 1 1 A 79 79 HIS H H 79 9.553 8.747 0.806 1
1 863 . 10 1 1 A 79 79 HIS CA C 79 55.063 55.091 -0.028 1
1 864 . 10 1 1 A 79 79 HIS HA H 79 4.798 5.046 -0.248 1
1 865 . 10 1 1 A 79 79 HIS CB C 79 31.489 31.230 0.259 1
1 871 . 10 1 1 A 79 79 HIS C C 79 174.069 174.650 -0.581 1
1 873 . 10 1 1 A 80 80 THR N N 80 114.672 116.045 -1.373 1
1 874 . 10 1 1 A 80 80 THR H H 80 8.452 8.202 0.250 1
1 875 . 10 1 1 A 80 80 THR CA C 80 61.075 61.531 -0.456 1
1 876 . 10 1 1 A 80 80 THR HA H 80 5.213 4.994 0.219 1
1 877 . 10 1 1 A 80 80 THR CB C 80 70.795 71.371 -0.576 1
1 883 . 10 1 1 A 80 80 THR C C 80 173.863 173.349 0.514 1
1 884 . 10 1 1 A 81 81 VAL N N 81 127.546 128.750 -1.204 1
1 885 . 10 1 1 A 81 81 VAL H H 81 9.701 9.584 0.117 1
1 886 . 10 1 1 A 81 81 VAL CA C 81 60.799 60.902 -0.103 1
1 887 . 10 1 1 A 81 81 VAL HA H 81 4.782 4.777 0.005 1
1 888 . 10 1 1 A 81 81 VAL CB C 81 33.635 33.158 0.477 1
1 898 . 10 1 1 A 81 81 VAL C C 81 174.707 175.011 -0.304 1
1 899 . 10 1 1 A 82 82 SER N N 82 123.308 125.003 -1.695 1
1 900 . 10 1 1 A 82 82 SER H H 82 9.104 9.040 0.064 1
1 901 . 10 1 1 A 82 82 SER CA C 82 56.981 58.193 -1.212 1
1 902 . 10 1 1 A 82 82 SER HA H 82 5.108 5.020 0.088 1
1 903 . 10 1 1 A 82 82 SER CB C 82 64.728 62.903 1.825 1
1 905 . 10 1 1 A 82 82 SER C C 82 173.688 173.563 0.125 1
1 907 . 10 1 1 A 83 83 VAL N N 83 129.049 127.360 1.689 1
1 908 . 10 1 1 A 83 83 VAL H H 83 9.925 8.944 0.981 1
1 909 . 10 1 1 A 83 83 VAL CA C 83 61.669 61.748 -0.079 1
1 910 . 10 1 1 A 83 83 VAL HA H 83 4.897 4.762 0.135 1
1 911 . 10 1 1 A 83 83 VAL CB C 83 33.590 32.157 1.433 1
1 921 . 10 1 1 A 83 83 VAL C C 83 174.094 175.428 -1.334 1
1 922 . 10 1 1 A 84 84 LYS N N 84 123.792 127.463 -3.671 1
1 923 . 10 1 1 A 84 84 LYS H H 84 8.768 8.569 0.199 1
1 924 . 10 1 1 A 84 84 LYS CA C 84 54.435 54.175 0.260 1
1 925 . 10 1 1 A 84 84 LYS HA H 84 5.153 4.848 0.305 1
1 926 . 10 1 1 A 84 84 LYS CB C 84 37.608 35.555 2.053 1
1 934 . 10 1 1 A 84 84 LYS C C 84 174.908 174.265 0.643 1
1 939 . 10 1 1 A 85 85 TYR N N 85 120.439 123.289 -2.850 1
1 940 . 10 1 1 A 85 85 TYR H H 85 8.926 9.275 -0.349 1
1 941 . 10 1 1 A 85 85 TYR CA C 85 56.005 57.524 -1.519 1
1 942 . 10 1 1 A 85 85 TYR HA H 85 4.938 4.790 0.148 1
1 943 . 10 1 1 A 85 85 TYR CB C 85 41.386 40.931 0.455 1
1 953 . 10 1 1 A 85 85 TYR C C 85 175.255 175.047 0.208 1
1 955 . 10 1 1 A 86 86 ARG N N 86 127.150 128.342 -1.192 1
1 956 . 10 1 1 A 86 86 ARG H H 86 9.115 9.199 -0.084 1
1 957 . 10 1 1 A 86 86 ARG CA C 86 57.122 56.904 0.218 1
1 958 . 10 1 1 A 86 86 ARG HA H 86 3.659 3.824 -0.165 1
1 959 . 10 1 1 A 86 86 ARG CB C 86 27.563 27.354 0.209 1
1 965 . 10 1 1 A 86 86 ARG C C 86 176.482 176.214 0.268 1
1 969 . 10 1 1 A 87 87 GLY N N 87 102.394 104.599 -2.205 1
1 970 . 10 1 1 A 87 87 GLY H H 87 8.564 8.551 0.013 1
1 971 . 10 1 1 A 87 87 GLY CA C 87 45.388 46.020 -0.632 1
1 972 . 10 1 1 A 87 87 GLY HA3 H 87 4.099 3.842 0.257 1
1 973 . 10 1 1 A 87 87 GLY C C 87 173.631 173.572 0.059 1
1 974 . 10 1 1 A 87 87 GLY HA2 H 87 3.460 3.841 -0.381 1
1 975 . 10 1 1 A 88 88 GLN N N 88 119.060 119.226 -0.166 1
1 976 . 10 1 1 A 88 88 GLN H H 88 7.665 7.832 -0.167 1
1 977 . 10 1 1 A 88 88 GLN CA C 88 53.265 54.359 -1.094 1
1 978 . 10 1 1 A 88 88 GLN HA H 88 4.749 4.796 -0.047 1
1 979 . 10 1 1 A 88 88 GLN CB C 88 31.383 31.636 -0.253 1
1 986 . 10 1 1 A 88 88 GLN C C 88 175.689 174.751 0.938 1
1 989 . 10 1 1 A 89 89 HIS N N 89 123.344 123.645 -0.301 1
1 990 . 10 1 1 A 89 89 HIS H H 89 8.789 8.796 -0.007 1
1 991 . 10 1 1 A 89 89 HIS CA C 89 59.011 57.503 1.508 1
1 992 . 10 1 1 A 89 89 HIS HA H 89 4.546 4.636 -0.090 1
1 993 . 10 1 1 A 89 89 HIS CB C 89 32.365 30.504 1.861 1
1 999 . 10 1 1 A 89 89 HIS C C 89 178.152 175.927 2.225 1
1 1001 . 10 1 1 A 90 90 VAL N N 90 117.749 119.412 -1.663 1
1 1002 . 10 1 1 A 90 90 VAL H H 90 8.436 8.186 0.250 1
1 1003 . 10 1 1 A 90 90 VAL CA C 90 60.473 60.902 -0.429 1
1 1004 . 10 1 1 A 90 90 VAL HA H 90 4.535 4.323 0.212 1
1 1005 . 10 1 1 A 90 90 VAL CB C 90 32.489 34.218 -1.729 1
1 1015 . 10 1 1 A 90 90 VAL C C 90 176.018 175.659 0.359 1
1 1016 . 10 1 1 A 91 91 THR N N 91 118.099 117.220 0.879 1
1 1017 . 10 1 1 A 91 91 THR H H 91 8.491 8.394 0.097 1
1 1018 . 10 1 1 A 91 91 THR CA C 91 65.519 65.158 0.361 1
1 1019 . 10 1 1 A 91 91 THR HA H 91 3.924 3.866 0.058 1
1 1020 . 10 1 1 A 91 91 THR CB C 91 68.972 68.397 0.575 1
1 1026 . 10 1 1 A 91 91 THR C C 91 174.771 175.943 -1.172 1
1 1027 . 10 1 1 A 92 92 GLY N N 92 116.032 114.863 1.169 1
1 1028 . 10 1 1 A 92 92 GLY H H 92 8.563 8.822 -0.259 1
1 1029 . 10 1 1 A 92 92 GLY CA C 92 44.842 45.282 -0.440 1
1 1030 . 10 1 1 A 92 92 GLY HA3 H 92 4.213 3.935 0.278 1
1 1031 . 10 1 1 A 92 92 GLY C C 92 172.199 172.838 -0.639 1
1 1032 . 10 1 1 A 92 92 GLY HA2 H 92 3.361 3.866 -0.505 1
1 1033 . 10 1 1 A 93 93 SER N N 93 113.106 115.323 -2.217 1
1 1034 . 10 1 1 A 93 93 SER H H 93 7.806 7.155 0.651 1
1 1035 . 10 1 1 A 93 93 SER CA C 93 54.600 54.535 0.065 1
1 1036 . 10 1 1 A 93 93 SER HA H 93 4.159 4.320 -0.161 1
1 1037 . 10 1 1 A 93 93 SER CB C 93 62.787 65.250 -2.463 1
1 1039 . 10 1 1 A 93 93 SER C C 93 174.123 171.997 2.126 1
1 1041 . 10 1 1 A 94 94 PRO CA C 94 62.619 62.265 0.354 1
1 1042 . 10 1 1 A 94 94 PRO HA H 94 5.537 4.545 0.992 1
1 1043 . 10 1 1 A 94 94 PRO CB C 94 34.521 31.973 2.548 1
1 1049 . 10 1 1 A 94 94 PRO C C 94 176.046 176.142 -0.096 1
1 1053 . 10 1 1 A 95 95 PHE N N 95 120.547 120.871 -0.324 1
1 1054 . 10 1 1 A 95 95 PHE H H 95 9.127 8.919 0.208 1
1 1055 . 10 1 1 A 95 95 PHE CA C 95 56.700 57.677 -0.977 1
1 1056 . 10 1 1 A 95 95 PHE HA H 95 4.844 4.932 -0.088 1
1 1057 . 10 1 1 A 95 95 PHE CB C 95 41.285 40.063 1.222 1
1 1069 . 10 1 1 A 95 95 PHE C C 95 175.219 176.154 -0.935 1
1 1071 . 10 1 1 A 96 96 GLN N N 96 120.382 121.200 -0.818 1
1 1072 . 10 1 1 A 96 96 GLN H H 96 8.896 8.664 0.232 1
1 1073 . 10 1 1 A 96 96 GLN CA C 96 55.028 54.234 0.794 1
1 1074 . 10 1 1 A 96 96 GLN HA H 96 5.440 5.170 0.270 1
1 1075 . 10 1 1 A 96 96 GLN CB C 96 31.867 32.063 -0.196 1
1 1082 . 10 1 1 A 96 96 GLN C C 96 175.480 174.728 0.752 1
1 1085 . 10 1 1 A 97 97 PHE N N 97 121.331 119.408 1.923 1
1 1086 . 10 1 1 A 97 97 PHE H H 97 8.822 8.186 0.636 1
1 1087 . 10 1 1 A 97 97 PHE CA C 97 56.931 56.076 0.855 1
1 1088 . 10 1 1 A 97 97 PHE HA H 97 4.960 5.166 -0.206 1
1 1089 . 10 1 1 A 97 97 PHE CB C 97 42.133 41.844 0.289 1
1 1101 . 10 1 1 A 97 97 PHE C C 97 173.780 172.165 1.615 1
1 1103 . 10 1 1 A 98 98 THR N N 98 121.160 116.528 4.632 1
1 1104 . 10 1 1 A 98 98 THR H H 98 8.907 8.868 0.039 1
1 1105 . 10 1 1 A 98 98 THR CA C 98 63.381 62.044 1.337 1
1 1106 . 10 1 1 A 98 98 THR HA H 98 4.487 4.794 -0.307 1
1 1107 . 10 1 1 A 98 98 THR CB C 98 69.599 69.725 -0.126 1
1 1113 . 10 1 1 A 98 98 THR C C 98 173.058 174.521 -1.463 1
1 1114 . 10 1 1 A 99 99 VAL N N 99 128.111 127.243 0.868 1
1 1115 . 10 1 1 A 99 99 VAL H H 99 8.240 8.821 -0.581 1
1 1116 . 10 1 1 A 99 99 VAL CA C 99 61.670 60.771 0.899 1
1 1117 . 10 1 1 A 99 99 VAL HA H 99 4.271 4.575 -0.304 1
1 1118 . 10 1 1 A 99 99 VAL CB C 99 32.962 33.232 -0.270 1
1 1128 . 10 1 1 A 99 99 VAL C C 99 176.689 175.590 1.099 1
1 1129 . 10 1 1 A 100 100 GLY N N 100 118.412 113.711 4.701 1
1 1130 . 10 1 1 A 100 100 GLY H H 100 8.946 8.653 0.293 1
1 1131 . 10 1 1 A 100 100 GLY CA C 100 44.504 44.020 0.484 1
1 1132 . 10 1 1 A 100 100 GLY HA3 H 100 4.506 4.328 0.178 1
1 1133 . 10 1 1 A 100 100 GLY C C 100 170.474 172.040 -1.566 1
1 1134 . 10 1 1 A 100 100 GLY HA2 H 100 4.136 4.320 -0.184 1
1 1135 . 10 1 1 A 101 101 PRO CA C 101 62.588 62.689 -0.101 1
1 1136 . 10 1 1 A 101 101 PRO HA H 101 4.525 4.589 -0.064 1
1 1137 . 10 1 1 A 101 101 PRO CB C 101 32.641 32.628 0.013 1
1 1143 . 10 1 1 A 101 101 PRO C C 101 176.696 175.894 0.802 1
1 1147 . 10 1 1 A 102 102 LEU N N 102 121.326 122.153 -0.827 1
1 1148 . 10 1 1 A 102 102 LEU H H 102 8.374 8.273 0.101 1
1 1149 . 10 1 1 A 102 102 LEU CA C 102 55.855 54.035 1.820 1
1 1150 . 10 1 1 A 102 102 LEU HA H 102 4.221 4.818 -0.597 1
1 1151 . 10 1 1 A 102 102 LEU CB C 102 42.652 44.434 -1.782 1
1 1163 . 10 1 1 A 102 102 LEU C C 102 178.005 175.400 2.605 1
1 1165 . 10 1 1 A 103 103 GLY N N 103 110.870 110.734 0.136 1
1 1166 . 10 1 1 A 103 103 GLY H H 103 8.481 8.398 0.083 1
1 1167 . 10 1 1 A 103 103 GLY CA C 103 45.208 45.241 -0.033 1
1 1168 . 10 1 1 A 103 103 GLY HA3 H 103 3.927 4.185 -0.258 1
1 1169 . 10 1 1 A 103 103 GLY C C 103 174.126 171.992 2.134 1
1 1170 . 10 1 1 A 103 103 GLY HA2 H 103 3.991 4.185 -0.194 1
1 1171 . 10 1 1 A 104 104 GLU N N 104 120.771 126.172 -5.401 1
1 1172 . 10 1 1 A 104 104 GLU H H 104 8.308 8.865 -0.557 1
1 1173 . 10 1 1 A 104 104 GLU CA C 104 56.713 55.254 1.459 1
1 1174 . 10 1 1 A 104 104 GLU HA H 104 4.318 4.975 -0.657 1
1 1175 . 10 1 1 A 104 104 GLU CB C 104 30.470 31.378 -0.908 1
1 1179 . 10 1 1 A 104 104 GLU C C 104 177.052 176.449 0.603 1
1 1182 . 10 1 1 A 105 105 GLY N N 105 110.589 113.265 -2.676 1
1 1183 . 10 1 1 A 105 105 GLY H H 105 8.546 8.662 -0.116 1
1 1184 . 10 1 1 A 105 105 GLY CA C 105 45.256 46.744 -1.488 1
1 1185 . 10 1 1 A 105 105 GLY HA3 H 105 3.925 3.833 0.092 1
1 1186 . 10 1 1 A 105 105 GLY C C 105 173.795 174.912 -1.117 1
1 1187 . 10 1 1 A 105 105 GLY HA2 H 105 3.992 3.833 0.159 1
1 1 . 11 1 1 A 7 7 GLY CA C 7 45.415 44.447 0.968 1
1 2 . 11 1 1 A 7 7 GLY HA3 H 7 3.972 4.031 -0.059 1
1 3 . 11 1 1 A 7 7 GLY C C 7 174.102 172.778 1.324 1
1 4 . 11 1 1 A 7 7 GLY HA2 H 7 3.972 4.031 -0.059 1
1 5 . 11 1 1 A 8 8 ARG N N 8 120.724 120.595 0.129 1
1 6 . 11 1 1 A 8 8 ARG H H 8 8.124 8.454 -0.330 1
1 7 . 11 1 1 A 8 8 ARG CA C 8 56.123 54.379 1.744 1
1 8 . 11 1 1 A 8 8 ARG HA H 8 4.363 5.008 -0.645 1
1 9 . 11 1 1 A 8 8 ARG CB C 8 30.881 33.815 -2.934 1
1 15 . 11 1 1 A 8 8 ARG C C 8 176.487 174.327 2.160 1
1 19 . 11 1 1 A 9 9 VAL N N 9 121.839 123.878 -2.039 1
1 20 . 11 1 1 A 9 9 VAL H H 9 8.204 9.052 -0.848 1
1 21 . 11 1 1 A 9 9 VAL CA C 9 62.438 60.461 1.977 1
1 22 . 11 1 1 A 9 9 VAL HA H 9 4.081 4.845 -0.764 1
1 23 . 11 1 1 A 9 9 VAL CB C 9 32.773 33.791 -1.018 1
1 33 . 11 1 1 A 9 9 VAL C C 9 176.204 174.904 1.300 1
1 34 . 11 1 1 A 10 10 LYS N N 10 125.552 126.065 -0.513 1
1 35 . 11 1 1 A 10 10 LYS H H 10 8.437 8.756 -0.319 1
1 36 . 11 1 1 A 10 10 LYS CA C 10 56.575 54.211 2.364 1
1 37 . 11 1 1 A 10 10 LYS HA H 10 4.280 4.943 -0.663 1
1 38 . 11 1 1 A 10 10 LYS CB C 10 33.046 35.723 -2.677 1
1 46 . 11 1 1 A 10 10 LYS C C 10 176.486 174.296 2.190 1
1 51 . 11 1 1 A 11 11 GLU N N 11 122.741 121.836 0.905 1
1 52 . 11 1 1 A 11 11 GLU H H 11 8.490 8.575 -0.085 1
1 53 . 11 1 1 A 11 11 GLU CA C 11 56.717 57.374 -0.657 1
1 54 . 11 1 1 A 11 11 GLU HA H 11 4.303 4.155 0.148 1
1 55 . 11 1 1 A 11 11 GLU CB C 11 30.422 30.257 0.165 1
1 59 . 11 1 1 A 11 11 GLU C C 11 176.428 176.646 -0.218 1
1 62 . 11 1 1 A 12 12 SER N N 12 117.227 120.535 -3.308 1
1 63 . 11 1 1 A 12 12 SER H H 12 8.434 8.406 0.028 1
1 64 . 11 1 1 A 12 12 SER CA C 12 58.340 60.568 -2.228 1
1 65 . 11 1 1 A 12 12 SER HA H 12 4.477 4.315 0.162 1
1 66 . 11 1 1 A 12 12 SER CB C 12 63.670 63.640 0.030 1
1 68 . 11 1 1 A 12 12 SER C C 12 174.574 174.458 0.116 1
1 70 . 11 1 1 A 13 13 ILE N N 13 122.704 128.163 -5.459 1
1 71 . 11 1 1 A 13 13 ILE H H 13 8.189 8.413 -0.224 1
1 72 . 11 1 1 A 13 13 ILE CA C 13 61.364 61.128 0.236 1
1 73 . 11 1 1 A 13 13 ILE HA H 13 4.270 4.417 -0.147 1
1 74 . 11 1 1 A 13 13 ILE CB C 13 38.870 38.400 0.470 1
1 86 . 11 1 1 A 13 13 ILE C C 13 176.445 175.593 0.852 1
1 88 . 11 1 1 A 14 14 THR N N 14 118.671 123.726 -5.055 1
1 89 . 11 1 1 A 14 14 THR H H 14 8.265 8.620 -0.355 1
1 90 . 11 1 1 A 14 14 THR CA C 14 62.080 63.382 -1.302 1
1 91 . 11 1 1 A 14 14 THR HA H 14 4.338 4.210 0.128 1
1 92 . 11 1 1 A 14 14 THR CB C 14 69.779 69.077 0.702 1
1 98 . 11 1 1 A 14 14 THR C C 14 174.465 173.676 0.789 1
1 99 . 11 1 1 A 15 15 ARG N N 15 124.132 128.525 -4.393 1
1 100 . 11 1 1 A 15 15 ARG H H 15 8.428 8.412 0.016 1
1 101 . 11 1 1 A 15 15 ARG CA C 15 56.221 55.495 0.726 1
1 102 . 11 1 1 A 15 15 ARG HA H 15 4.447 4.793 -0.346 1
1 103 . 11 1 1 A 15 15 ARG CB C 15 30.949 33.751 -2.802 1
1 109 . 11 1 1 A 15 15 ARG C C 15 176.374 174.500 1.874 1
1 113 . 11 1 1 A 16 16 THR N N 16 115.339 121.248 -5.909 1
1 114 . 11 1 1 A 16 16 THR H H 16 8.232 8.912 -0.680 1
1 115 . 11 1 1 A 16 16 THR CA C 16 61.828 61.238 0.590 1
1 116 . 11 1 1 A 16 16 THR HA H 16 4.389 4.816 -0.427 1
1 117 . 11 1 1 A 16 16 THR CB C 16 69.896 72.416 -2.520 1
1 123 . 11 1 1 A 16 16 THR C C 16 174.518 173.437 1.081 1
1 124 . 11 1 1 A 17 17 SER N N 17 118.278 120.911 -2.633 1
1 125 . 11 1 1 A 17 17 SER H H 17 8.331 8.836 -0.505 1
1 126 . 11 1 1 A 17 17 SER CA C 17 58.326 56.673 1.653 1
1 127 . 11 1 1 A 17 17 SER HA H 17 4.500 5.135 -0.635 1
1 128 . 11 1 1 A 17 17 SER CB C 17 63.918 64.489 -0.571 1
1 130 . 11 1 1 A 17 17 SER C C 17 174.172 173.294 0.878 1
1 132 . 11 1 1 A 18 18 ARG N N 18 122.935 126.513 -3.578 1
1 133 . 11 1 1 A 18 18 ARG H H 18 8.376 8.731 -0.355 1
1 134 . 11 1 1 A 18 18 ARG CA C 18 55.772 56.483 -0.711 1
1 135 . 11 1 1 A 18 18 ARG HA H 18 4.386 4.629 -0.243 1
1 136 . 11 1 1 A 18 18 ARG CB C 18 31.073 30.673 0.400 1
1 142 . 11 1 1 A 18 18 ARG C C 18 175.493 175.344 0.149 1
1 146 . 11 1 1 A 19 19 ALA N N 19 126.804 128.316 -1.512 1
1 147 . 11 1 1 A 19 19 ALA H H 19 8.357 8.946 -0.589 1
1 148 . 11 1 1 A 19 19 ALA CA C 19 50.553 49.610 0.943 1
1 149 . 11 1 1 A 19 19 ALA HA H 19 4.585 4.802 -0.217 1
1 150 . 11 1 1 A 19 19 ALA CB C 19 18.208 22.349 -4.141 1
1 154 . 11 1 1 A 19 19 ALA C C 19 175.408 174.517 0.891 1
1 155 . 11 1 1 A 20 20 PRO CA C 20 63.352 62.826 0.526 1
1 156 . 11 1 1 A 20 20 PRO HA H 20 4.455 4.837 -0.382 1
1 157 . 11 1 1 A 20 20 PRO CB C 20 32.196 33.117 -0.921 1
1 163 . 11 1 1 A 20 20 PRO C C 20 176.846 175.224 1.622 1
1 167 . 11 1 1 A 21 21 SER N N 21 116.414 118.100 -1.686 1
1 168 . 11 1 1 A 21 21 SER H H 21 8.449 9.077 -0.628 1
1 169 . 11 1 1 A 21 21 SER CA C 21 58.507 57.695 0.812 1
1 170 . 11 1 1 A 21 21 SER HA H 21 4.475 4.908 -0.433 1
1 171 . 11 1 1 A 21 21 SER CB C 21 63.851 65.858 -2.007 1
1 173 . 11 1 1 A 21 21 SER C C 21 174.344 172.846 1.498 1
1 175 . 11 1 1 A 22 22 VAL N N 22 120.580 125.945 -5.365 1
1 176 . 11 1 1 A 22 22 VAL H H 22 8.110 8.439 -0.329 1
1 177 . 11 1 1 A 22 22 VAL CA C 22 61.788 62.428 -0.640 1
1 178 . 11 1 1 A 22 22 VAL HA H 22 4.293 4.007 0.286 1
1 179 . 11 1 1 A 22 22 VAL CB C 22 33.445 32.130 1.315 1
1 189 . 11 1 1 A 22 22 VAL C C 22 175.160 175.867 -0.707 1
1 190 . 11 1 1 A 23 23 ALA N N 23 127.788 127.026 0.762 1
1 191 . 11 1 1 A 23 23 ALA H H 23 8.428 8.792 -0.364 1
1 192 . 11 1 1 A 23 23 ALA CA C 23 51.790 51.667 0.123 1
1 193 . 11 1 1 A 23 23 ALA HA H 23 4.594 4.855 -0.261 1
1 194 . 11 1 1 A 23 23 ALA CB C 23 21.050 23.621 -2.571 1
1 198 . 11 1 1 A 23 23 ALA C C 23 176.198 175.244 0.954 1
1 199 . 11 1 1 A 24 24 THR N N 24 115.139 114.983 0.156 1
1 200 . 11 1 1 A 24 24 THR H H 24 8.338 8.427 -0.089 1
1 201 . 11 1 1 A 24 24 THR CA C 24 60.519 60.942 -0.423 1
1 202 . 11 1 1 A 24 24 THR HA H 24 4.674 5.141 -0.467 1
1 203 . 11 1 1 A 24 24 THR CB C 24 72.048 72.517 -0.469 1
1 209 . 11 1 1 A 24 24 THR C C 24 173.979 172.796 1.183 1
1 210 . 11 1 1 A 25 25 VAL N N 25 122.772 122.832 -0.060 1
1 211 . 11 1 1 A 25 25 VAL H H 25 8.002 8.723 -0.721 1
1 212 . 11 1 1 A 25 25 VAL CA C 25 64.582 59.937 4.645 1
1 213 . 11 1 1 A 25 25 VAL HA H 25 3.280 4.658 -1.378 1
1 214 . 11 1 1 A 25 25 VAL CB C 25 32.102 34.124 -2.022 1
1 224 . 11 1 1 A 25 25 VAL C C 25 176.709 176.116 0.593 1
1 225 . 11 1 1 A 26 26 GLY N N 26 112.345 116.380 -4.035 1
1 226 . 11 1 1 A 26 26 GLY H H 26 8.344 8.753 -0.409 1
1 227 . 11 1 1 A 26 26 GLY CA C 26 45.534 45.777 -0.243 1
1 228 . 11 1 1 A 26 26 GLY HA3 H 26 4.166 3.997 0.169 1
1 229 . 11 1 1 A 26 26 GLY C C 26 173.701 173.306 0.395 1
1 230 . 11 1 1 A 26 26 GLY HA2 H 26 3.519 3.987 -0.468 1
1 231 . 11 1 1 A 27 27 SER N N 27 116.474 114.121 2.353 1
1 232 . 11 1 1 A 27 27 SER H H 27 7.738 7.639 0.099 1
1 233 . 11 1 1 A 27 27 SER CA C 27 57.264 57.124 0.140 1
1 234 . 11 1 1 A 27 27 SER HA H 27 4.692 4.815 -0.123 1
1 235 . 11 1 1 A 27 27 SER CB C 27 65.270 65.774 -0.504 1
1 237 . 11 1 1 A 27 27 SER C C 27 172.491 172.957 -0.466 1
1 239 . 11 1 1 A 28 28 ILE N N 28 122.052 123.441 -1.389 1
1 240 . 11 1 1 A 28 28 ILE H H 28 8.350 8.637 -0.287 1
1 241 . 11 1 1 A 28 28 ILE CA C 28 62.995 61.946 1.049 1
1 242 . 11 1 1 A 28 28 ILE HA H 28 3.693 4.038 -0.345 1
1 243 . 11 1 1 A 28 28 ILE CB C 28 38.221 36.922 1.299 1
1 255 . 11 1 1 A 28 28 ILE C C 28 175.624 174.911 0.713 1
1 257 . 11 1 1 A 29 29 CYS N N 29 129.493 127.670 1.823 1
1 258 . 11 1 1 A 29 29 CYS H H 29 8.730 8.977 -0.247 1
1 259 . 11 1 1 A 29 29 CYS CA C 29 58.201 57.320 0.881 1
1 260 . 11 1 1 A 29 29 CYS HA H 29 4.451 4.664 -0.213 1
1 261 . 11 1 1 A 29 29 CYS CB C 29 28.560 27.861 0.699 1
1 263 . 11 1 1 A 29 29 CYS C C 29 171.207 173.064 -1.857 1
1 265 . 11 1 1 A 30 30 ASP N N 30 123.789 127.296 -3.507 1
1 266 . 11 1 1 A 30 30 ASP H H 30 8.000 8.422 -0.422 1
1 267 . 11 1 1 A 30 30 ASP CA C 30 52.692 53.746 -1.054 1
1 268 . 11 1 1 A 30 30 ASP HA H 30 5.315 5.058 0.257 1
1 269 . 11 1 1 A 30 30 ASP CB C 30 43.397 41.050 2.347 1
1 271 . 11 1 1 A 30 30 ASP C C 30 175.569 175.039 0.530 1
1 273 . 11 1 1 A 31 31 LEU N N 31 125.116 126.624 -1.508 1
1 274 . 11 1 1 A 31 31 LEU H H 31 9.147 9.059 0.088 1
1 275 . 11 1 1 A 31 31 LEU CA C 31 53.606 53.788 -0.182 1
1 276 . 11 1 1 A 31 31 LEU HA H 31 4.515 4.835 -0.320 1
1 277 . 11 1 1 A 31 31 LEU CB C 31 43.262 43.942 -0.680 1
1 289 . 11 1 1 A 31 31 LEU C C 31 174.935 175.068 -0.133 1
1 291 . 11 1 1 A 32 32 ASN N N 32 124.687 127.034 -2.347 1
1 292 . 11 1 1 A 32 32 ASN H H 32 8.690 8.988 -0.298 1
1 293 . 11 1 1 A 32 32 ASN CA C 32 53.696 52.780 0.916 1
1 294 . 11 1 1 A 32 32 ASN HA H 32 5.077 5.237 -0.160 1
1 295 . 11 1 1 A 32 32 ASN CB C 32 39.842 39.957 -0.115 1
1 300 . 11 1 1 A 32 32 ASN C C 32 174.322 174.140 0.182 1
1 302 . 11 1 1 A 33 33 LEU N N 33 123.838 126.804 -2.966 1
1 303 . 11 1 1 A 33 33 LEU H H 33 8.912 8.523 0.389 1
1 304 . 11 1 1 A 33 33 LEU CA C 33 53.820 53.308 0.512 1
1 305 . 11 1 1 A 33 33 LEU HA H 33 4.638 4.966 -0.328 1
1 306 . 11 1 1 A 33 33 LEU CB C 33 45.587 45.172 0.415 1
1 318 . 11 1 1 A 33 33 LEU C C 33 175.719 175.599 0.120 1
1 320 . 11 1 1 A 34 34 LYS N N 34 124.925 121.509 3.416 1
1 321 . 11 1 1 A 34 34 LYS H H 34 8.718 8.487 0.231 1
1 322 . 11 1 1 A 34 34 LYS CA C 34 55.079 55.587 -0.508 1
1 323 . 11 1 1 A 34 34 LYS HA H 34 5.036 4.622 0.414 1
1 324 . 11 1 1 A 34 34 LYS CB C 34 32.121 32.759 -0.638 1
1 332 . 11 1 1 A 34 34 LYS C C 34 176.081 175.752 0.329 1
1 337 . 11 1 1 A 35 35 ILE N N 35 123.769 126.441 -2.672 1
1 338 . 11 1 1 A 35 35 ILE H H 35 7.935 7.878 0.057 1
1 339 . 11 1 1 A 35 35 ILE CA C 35 58.161 57.489 0.672 1
1 340 . 11 1 1 A 35 35 ILE HA H 35 4.612 4.598 0.014 1
1 341 . 11 1 1 A 35 35 ILE CB C 35 40.616 41.540 -0.924 1
1 353 . 11 1 1 A 35 35 ILE C C 35 173.405 174.251 -0.846 1
1 355 . 11 1 1 A 36 36 PRO CA C 36 63.143 62.297 0.846 1
1 356 . 11 1 1 A 36 36 PRO HA H 36 4.435 4.624 -0.189 1
1 357 . 11 1 1 A 36 36 PRO CB C 36 32.806 33.313 -0.507 1
1 363 . 11 1 1 A 36 36 PRO C C 36 176.844 177.559 -0.715 1
1 367 . 11 1 1 A 37 37 GLU N N 37 114.188 120.437 -6.249 1
1 368 . 11 1 1 A 37 37 GLU H H 37 8.358 8.860 -0.502 1
1 369 . 11 1 1 A 37 37 GLU CA C 37 59.038 58.861 0.177 1
1 370 . 11 1 1 A 37 37 GLU HA H 37 3.916 4.090 -0.174 1
1 371 . 11 1 1 A 37 37 GLU CB C 37 28.206 28.761 -0.555 1
1 375 . 11 1 1 A 37 37 GLU C C 37 175.996 177.372 -1.376 1
1 378 . 11 1 1 A 38 38 ILE N N 38 118.733 124.003 -5.270 1
1 379 . 11 1 1 A 38 38 ILE H H 38 7.679 7.461 0.218 1
1 380 . 11 1 1 A 38 38 ILE CA C 38 60.711 62.356 -1.645 1
1 381 . 11 1 1 A 38 38 ILE HA H 38 4.029 3.881 0.148 1
1 382 . 11 1 1 A 38 38 ILE CB C 38 40.278 37.556 2.722 1
1 394 . 11 1 1 A 38 38 ILE C C 38 175.255 176.103 -0.848 1
1 396 . 11 1 1 A 39 39 ASN H H 39 8.593 8.659 -0.066 1
1 397 . 11 1 1 A 39 39 ASN CA C 39 52.929 53.422 -0.493 1
1 398 . 11 1 1 A 39 39 ASN HA H 39 4.921 4.876 0.045 1
1 399 . 11 1 1 A 39 39 ASN CB C 39 39.419 39.797 -0.378 1
1 404 . 11 1 1 A 39 39 ASN C C 39 176.891 175.774 1.117 1
1 406 . 11 1 1 A 40 40 SER N N 40 120.676 116.701 3.975 1
1 407 . 11 1 1 A 40 40 SER H H 40 8.995 8.987 0.008 1
1 408 . 11 1 1 A 40 40 SER CA C 40 62.318 60.901 1.417 1
1 409 . 11 1 1 A 40 40 SER HA H 40 4.058 4.205 -0.147 1
1 410 . 11 1 1 A 40 40 SER CB C 40 63.297 63.298 -0.001 1
1 412 . 11 1 1 A 40 40 SER C C 40 176.866 176.160 0.706 1
1 414 . 11 1 1 A 41 41 SER N N 41 112.249 116.238 -3.989 1
1 415 . 11 1 1 A 41 41 SER H H 41 8.253 8.218 0.035 1
1 416 . 11 1 1 A 41 41 SER CA C 41 60.133 61.361 -1.228 1
1 417 . 11 1 1 A 41 41 SER HA H 41 4.348 4.284 0.064 1
1 418 . 11 1 1 A 41 41 SER CB C 41 62.986 62.654 0.332 1
1 420 . 11 1 1 A 41 41 SER C C 41 174.885 174.788 0.097 1
1 422 . 11 1 1 A 42 42 ASP N N 42 119.471 118.558 0.913 1
1 423 . 11 1 1 A 42 42 ASP H H 42 7.835 8.420 -0.585 1
1 424 . 11 1 1 A 42 42 ASP CA C 42 54.713 54.255 0.458 1
1 425 . 11 1 1 A 42 42 ASP HA H 42 4.933 4.725 0.208 1
1 426 . 11 1 1 A 42 42 ASP CB C 42 42.479 41.892 0.587 1
1 428 . 11 1 1 A 42 42 ASP C C 42 175.586 176.247 -0.661 1
1 430 . 11 1 1 A 43 43 MET N N 43 119.155 119.263 -0.108 1
1 431 . 11 1 1 A 43 43 MET H H 43 7.549 7.866 -0.317 1
1 432 . 11 1 1 A 43 43 MET CA C 43 54.927 54.974 -0.047 1
1 433 . 11 1 1 A 43 43 MET HA H 43 5.359 4.745 0.614 1
1 434 . 11 1 1 A 43 43 MET CB C 43 37.158 34.070 3.088 1
1 442 . 11 1 1 A 43 43 MET C C 43 174.894 175.210 -0.316 1
1 445 . 11 1 1 A 44 44 SER N N 44 114.070 113.088 0.982 1
1 446 . 11 1 1 A 44 44 SER H H 44 8.739 8.807 -0.068 1
1 447 . 11 1 1 A 44 44 SER CA C 44 56.937 57.785 -0.848 1
1 448 . 11 1 1 A 44 44 SER HA H 44 4.700 5.277 -0.577 1
1 449 . 11 1 1 A 44 44 SER CB C 44 66.247 65.628 0.619 1
1 451 . 11 1 1 A 44 44 SER C C 44 172.764 172.675 0.089 1
1 453 . 11 1 1 A 45 45 ALA N N 45 126.192 128.753 -2.561 1
1 454 . 11 1 1 A 45 45 ALA H H 45 9.123 8.930 0.193 1
1 455 . 11 1 1 A 45 45 ALA CA C 45 50.378 50.161 0.217 1
1 456 . 11 1 1 A 45 45 ALA HA H 45 5.741 5.319 0.422 1
1 457 . 11 1 1 A 45 45 ALA CB C 45 23.330 21.799 1.531 1
1 461 . 11 1 1 A 45 45 ALA C C 45 175.089 176.145 -1.056 1
1 462 . 11 1 1 A 46 46 HIS N N 46 119.075 118.158 0.917 1
1 463 . 11 1 1 A 46 46 HIS H H 46 8.701 8.884 -0.183 1
1 464 . 11 1 1 A 46 46 HIS CA C 46 55.999 54.690 1.309 1
1 465 . 11 1 1 A 46 46 HIS HA H 46 5.157 4.820 0.337 1
1 466 . 11 1 1 A 46 46 HIS CB C 46 34.239 33.617 0.622 1
1 472 . 11 1 1 A 46 46 HIS C C 46 174.155 173.787 0.368 1
1 474 . 11 1 1 A 47 47 VAL N N 47 125.059 123.556 1.503 1
1 475 . 11 1 1 A 47 47 VAL H H 47 9.488 8.827 0.661 1
1 476 . 11 1 1 A 47 47 VAL CA C 47 60.604 61.989 -1.385 1
1 477 . 11 1 1 A 47 47 VAL HA H 47 4.730 4.443 0.287 1
1 478 . 11 1 1 A 47 47 VAL CB C 47 33.769 32.471 1.298 1
1 488 . 11 1 1 A 47 47 VAL C C 47 175.126 175.667 -0.541 1
1 489 . 11 1 1 A 48 48 THR N N 48 124.473 123.214 1.259 1
1 490 . 11 1 1 A 48 48 THR H H 48 9.432 9.133 0.299 1
1 491 . 11 1 1 A 48 48 THR CA C 48 61.766 62.151 -0.385 1
1 492 . 11 1 1 A 48 48 THR HA H 48 5.164 4.526 0.638 1
1 493 . 11 1 1 A 48 48 THR CB C 48 69.384 69.904 -0.520 1
1 499 . 11 1 1 A 48 48 THR C C 48 174.573 174.414 0.159 1
1 500 . 11 1 1 A 49 49 SER N N 49 125.657 119.034 6.623 1
1 501 . 11 1 1 A 49 49 SER H H 49 9.043 9.061 -0.018 1
1 502 . 11 1 1 A 49 49 SER CA C 49 56.638 55.119 1.519 1
1 503 . 11 1 1 A 49 49 SER HA H 49 4.225 4.944 -0.719 1
1 504 . 11 1 1 A 49 49 SER CB C 49 62.948 64.488 -1.540 1
1 506 . 11 1 1 A 49 49 SER C C 49 174.034 174.394 -0.360 1
1 508 . 11 1 1 A 50 50 PRO CA C 50 65.784 64.201 1.583 1
1 509 . 11 1 1 A 50 50 PRO HA H 50 4.260 4.479 -0.219 1
1 510 . 11 1 1 A 50 50 PRO CB C 50 31.493 31.675 -0.182 1
1 516 . 11 1 1 A 50 50 PRO C C 50 177.687 176.877 0.810 1
1 520 . 11 1 1 A 51 51 SER N N 51 110.322 110.911 -0.589 1
1 521 . 11 1 1 A 51 51 SER H H 51 8.349 7.457 0.892 1
1 522 . 11 1 1 A 51 51 SER CA C 51 59.076 58.325 0.751 1
1 523 . 11 1 1 A 51 51 SER HA H 51 4.332 4.484 -0.152 1
1 524 . 11 1 1 A 51 51 SER CB C 51 62.825 65.179 -2.354 1
1 526 . 11 1 1 A 51 51 SER C C 51 175.363 175.130 0.233 1
1 528 . 11 1 1 A 52 52 GLY N N 52 111.132 109.962 1.170 1
1 529 . 11 1 1 A 52 52 GLY H H 52 8.289 7.723 0.566 1
1 530 . 11 1 1 A 52 52 GLY CA C 52 44.831 45.117 -0.286 1
1 531 . 11 1 1 A 52 52 GLY HA3 H 52 4.302 4.044 0.258 1
1 532 . 11 1 1 A 52 52 GLY C C 52 174.002 174.524 -0.522 1
1 533 . 11 1 1 A 52 52 GLY HA2 H 52 3.421 4.043 -0.622 1
1 534 . 11 1 1 A 53 53 ARG N N 53 121.515 120.396 1.119 1
1 535 . 11 1 1 A 53 53 ARG H H 53 7.322 7.701 -0.379 1
1 536 . 11 1 1 A 53 53 ARG CA C 53 56.749 56.359 0.390 1
1 537 . 11 1 1 A 53 53 ARG HA H 53 4.222 4.387 -0.165 1
1 538 . 11 1 1 A 53 53 ARG CB C 53 30.430 31.435 -1.005 1
1 544 . 11 1 1 A 53 53 ARG C C 53 176.023 175.159 0.864 1
1 548 . 11 1 1 A 54 54 VAL N N 54 128.383 120.747 7.636 1
1 549 . 11 1 1 A 54 54 VAL H H 54 8.780 8.467 0.313 1
1 550 . 11 1 1 A 54 54 VAL CA C 54 61.533 60.714 0.819 1
1 551 . 11 1 1 A 54 54 VAL HA H 54 5.243 4.982 0.261 1
1 552 . 11 1 1 A 54 54 VAL CB C 54 33.205 35.779 -2.574 1
1 562 . 11 1 1 A 54 54 VAL C C 54 176.783 174.874 1.909 1
1 563 . 11 1 1 A 55 55 THR N N 55 121.757 121.610 0.147 1
1 564 . 11 1 1 A 55 55 THR H H 55 9.188 9.259 -0.071 1
1 565 . 11 1 1 A 55 55 THR CA C 55 60.216 60.683 -0.467 1
1 566 . 11 1 1 A 55 55 THR HA H 55 4.751 4.945 -0.194 1
1 567 . 11 1 1 A 55 55 THR CB C 55 71.896 72.740 -0.844 1
1 573 . 11 1 1 A 55 55 THR C C 55 173.454 172.768 0.686 1
1 574 . 11 1 1 A 56 56 GLU N N 56 125.373 122.828 2.545 1
1 575 . 11 1 1 A 56 56 GLU H H 56 8.927 8.888 0.039 1
1 576 . 11 1 1 A 56 56 GLU CA C 56 57.019 54.405 2.614 1
1 577 . 11 1 1 A 56 56 GLU HA H 56 4.365 5.010 -0.645 1
1 578 . 11 1 1 A 56 56 GLU CB C 56 30.230 33.314 -3.084 1
1 582 . 11 1 1 A 56 56 GLU C C 56 175.556 174.953 0.603 1
1 585 . 11 1 1 A 57 57 ALA N N 57 128.204 128.152 0.052 1
1 586 . 11 1 1 A 57 57 ALA H H 57 8.201 8.716 -0.515 1
1 587 . 11 1 1 A 57 57 ALA CA C 57 50.068 49.895 0.173 1
1 588 . 11 1 1 A 57 57 ALA HA H 57 4.827 5.226 -0.399 1
1 589 . 11 1 1 A 57 57 ALA CB C 57 21.531 23.048 -1.517 1
1 593 . 11 1 1 A 57 57 ALA C C 57 175.178 174.769 0.409 1
1 594 . 11 1 1 A 58 58 GLU N N 58 120.950 120.627 0.323 1
1 595 . 11 1 1 A 58 58 GLU H H 58 8.202 8.825 -0.623 1
1 596 . 11 1 1 A 58 58 GLU CA C 58 55.505 55.231 0.274 1
1 597 . 11 1 1 A 58 58 GLU HA H 58 4.509 5.066 -0.557 1
1 598 . 11 1 1 A 58 58 GLU CB C 58 32.301 32.717 -0.416 1
1 602 . 11 1 1 A 58 58 GLU C C 58 175.025 175.013 0.012 1
1 605 . 11 1 1 A 59 59 ILE N N 59 122.574 126.151 -3.577 1
1 606 . 11 1 1 A 59 59 ILE H H 59 8.578 8.796 -0.218 1
1 607 . 11 1 1 A 59 59 ILE CA C 59 60.355 60.115 0.240 1
1 608 . 11 1 1 A 59 59 ILE HA H 59 4.954 4.749 0.205 1
1 609 . 11 1 1 A 59 59 ILE CB C 59 38.374 39.738 -1.364 1
1 621 . 11 1 1 A 59 59 ILE C C 59 175.709 174.682 1.027 1
1 623 . 11 1 1 A 60 60 VAL N N 60 129.074 127.411 1.663 1
1 624 . 11 1 1 A 60 60 VAL H H 60 9.543 9.341 0.202 1
1 625 . 11 1 1 A 60 60 VAL CA C 60 58.472 58.594 -0.122 1
1 626 . 11 1 1 A 60 60 VAL HA H 60 4.737 4.568 0.169 1
1 627 . 11 1 1 A 60 60 VAL CB C 60 34.522 33.593 0.929 1
1 637 . 11 1 1 A 60 60 VAL C C 60 174.024 174.330 -0.306 1
1 638 . 11 1 1 A 61 61 PRO CA C 61 63.313 62.795 0.518 1
1 639 . 11 1 1 A 61 61 PRO HA H 61 4.611 4.487 0.124 1
1 640 . 11 1 1 A 61 61 PRO CB C 61 32.270 32.121 0.149 1
1 646 . 11 1 1 A 61 61 PRO C C 61 177.388 176.210 1.178 1
1 650 . 11 1 1 A 62 62 MET N N 62 122.153 122.901 -0.748 1
1 651 . 11 1 1 A 62 62 MET H H 62 7.843 8.198 -0.355 1
1 652 . 11 1 1 A 62 62 MET CA C 62 53.470 54.428 -0.958 1
1 653 . 11 1 1 A 62 62 MET HA H 62 4.765 4.756 0.009 1
1 654 . 11 1 1 A 62 62 MET CB C 62 33.144 33.020 0.124 1
1 662 . 11 1 1 A 62 62 MET C C 62 175.742 175.983 -0.241 1
1 665 . 11 1 1 A 63 63 GLY N N 63 109.196 110.473 -1.277 1
1 666 . 11 1 1 A 63 63 GLY H H 63 7.757 8.493 -0.736 1
1 667 . 11 1 1 A 63 63 GLY CA C 63 44.092 47.265 -3.173 1
1 668 . 11 1 1 A 63 63 GLY HA3 H 63 4.193 3.784 0.409 1
1 669 . 11 1 1 A 63 63 GLY C C 63 173.451 174.106 -0.655 1
1 670 . 11 1 1 A 63 63 GLY HA2 H 63 3.757 3.780 -0.023 1
1 671 . 11 1 1 A 64 64 LYS CA C 64 58.104 56.120 1.984 1
1 672 . 11 1 1 A 64 64 LYS HA H 64 3.994 4.241 -0.247 1
1 673 . 11 1 1 A 64 64 LYS CB C 64 31.766 33.551 -1.785 1
1 681 . 11 1 1 A 64 64 LYS C C 64 177.657 177.102 0.555 1
1 686 . 11 1 1 A 65 65 ASN N N 65 117.648 120.700 -3.052 1
1 687 . 11 1 1 A 65 65 ASN H H 65 8.860 8.596 0.264 1
1 688 . 11 1 1 A 65 65 ASN CA C 65 54.222 53.108 1.114 1
1 689 . 11 1 1 A 65 65 ASN HA H 65 4.587 4.698 -0.111 1
1 690 . 11 1 1 A 65 65 ASN CB C 65 38.313 37.607 0.706 1
1 695 . 11 1 1 A 65 65 ASN C C 65 173.302 174.370 -1.068 1
1 697 . 11 1 1 A 66 66 SER N N 66 112.701 115.257 -2.556 1
1 698 . 11 1 1 A 66 66 SER H H 66 7.367 7.939 -0.572 1
1 699 . 11 1 1 A 66 66 SER CA C 66 57.766 57.131 0.635 1
1 700 . 11 1 1 A 66 66 SER HA H 66 5.112 5.419 -0.307 1
1 701 . 11 1 1 A 66 66 SER CB C 66 65.000 66.542 -1.542 1
1 703 . 11 1 1 A 66 66 SER C C 66 172.793 172.595 0.198 1
1 705 . 11 1 1 A 67 67 HIS N N 67 124.096 119.620 4.476 1
1 706 . 11 1 1 A 67 67 HIS H H 67 8.735 8.425 0.310 1
1 707 . 11 1 1 A 67 67 HIS CA C 67 55.123 54.643 0.480 1
1 708 . 11 1 1 A 67 67 HIS HA H 67 4.975 5.196 -0.221 1
1 709 . 11 1 1 A 67 67 HIS CB C 67 34.914 33.898 1.016 1
1 715 . 11 1 1 A 67 67 HIS C C 67 173.884 173.460 0.424 1
1 717 . 11 1 1 A 68 68 CYS N N 68 122.598 121.580 1.018 1
1 718 . 11 1 1 A 68 68 CYS H H 68 9.333 9.016 0.317 1
1 719 . 11 1 1 A 68 68 CYS CA C 68 56.907 57.084 -0.177 1
1 720 . 11 1 1 A 68 68 CYS HA H 68 5.311 5.029 0.282 1
1 721 . 11 1 1 A 68 68 CYS CB C 68 29.314 30.753 -1.439 1
1 723 . 11 1 1 A 68 68 CYS C C 68 173.554 172.985 0.569 1
1 725 . 11 1 1 A 69 69 VAL N N 69 128.613 127.668 0.945 1
1 726 . 11 1 1 A 69 69 VAL H H 69 9.074 8.789 0.285 1
1 727 . 11 1 1 A 69 69 VAL CA C 69 61.632 61.478 0.154 1
1 728 . 11 1 1 A 69 69 VAL HA H 69 4.725 5.156 -0.431 1
1 729 . 11 1 1 A 69 69 VAL CB C 69 32.387 33.487 -1.100 1
1 739 . 11 1 1 A 69 69 VAL C C 69 174.230 174.922 -0.692 1
1 740 . 11 1 1 A 70 70 ARG N N 70 128.053 126.884 1.169 1
1 741 . 11 1 1 A 70 70 ARG H H 70 9.052 9.009 0.043 1
1 742 . 11 1 1 A 70 70 ARG CA C 70 54.797 54.890 -0.093 1
1 743 . 11 1 1 A 70 70 ARG HA H 70 5.761 4.930 0.831 1
1 744 . 11 1 1 A 70 70 ARG CB C 70 34.395 31.364 3.031 1
1 751 . 11 1 1 A 70 70 ARG C C 70 175.918 175.495 0.423 1
1 755 . 11 1 1 A 71 71 PHE N N 71 122.942 120.114 2.828 1
1 756 . 11 1 1 A 71 71 PHE H H 71 8.702 8.304 0.398 1
1 757 . 11 1 1 A 71 71 PHE CA C 71 55.748 56.180 -0.432 1
1 758 . 11 1 1 A 71 71 PHE HA H 71 4.936 5.113 -0.177 1
1 759 . 11 1 1 A 71 71 PHE CB C 71 41.245 40.899 0.346 1
1 771 . 11 1 1 A 71 71 PHE C C 71 171.709 172.125 -0.416 1
1 773 . 11 1 1 A 72 72 VAL N N 72 122.214 120.568 1.646 1
1 774 . 11 1 1 A 72 72 VAL H H 72 8.512 8.885 -0.373 1
1 775 . 11 1 1 A 72 72 VAL CA C 72 58.398 59.359 -0.961 1
1 776 . 11 1 1 A 72 72 VAL HA H 72 4.752 4.811 -0.059 1
1 777 . 11 1 1 A 72 72 VAL CB C 72 32.747 32.246 0.501 1
1 787 . 11 1 1 A 72 72 VAL C C 72 174.416 175.089 -0.673 1
1 788 . 11 1 1 A 73 73 PRO CA C 73 62.606 62.647 -0.041 1
1 789 . 11 1 1 A 73 73 PRO HA H 73 4.646 5.100 -0.454 1
1 790 . 11 1 1 A 73 73 PRO CB C 73 33.679 29.652 4.027 1
1 796 . 11 1 1 A 73 73 PRO C C 73 176.757 175.692 1.065 1
1 800 . 11 1 1 A 74 74 GLN N N 74 119.992 118.603 1.389 1
1 801 . 11 1 1 A 74 74 GLN H H 74 9.869 8.351 1.518 1
1 802 . 11 1 1 A 74 74 GLN CA C 74 55.156 54.337 0.819 1
1 803 . 11 1 1 A 74 74 GLN HA H 74 4.602 5.340 -0.738 1
1 804 . 11 1 1 A 74 74 GLN CB C 74 31.405 30.270 1.135 1
1 811 . 11 1 1 A 74 74 GLN C C 74 174.987 174.176 0.811 1
1 814 . 11 1 1 A 75 75 GLU N N 75 119.264 124.451 -5.187 1
1 815 . 11 1 1 A 75 75 GLU H H 75 8.009 9.002 -0.993 1
1 816 . 11 1 1 A 75 75 GLU CA C 75 54.138 55.047 -0.909 1
1 817 . 11 1 1 A 75 75 GLU HA H 75 4.657 4.899 -0.242 1
1 818 . 11 1 1 A 75 75 GLU CB C 75 34.046 32.942 1.104 1
1 822 . 11 1 1 A 75 75 GLU C C 75 173.922 175.053 -1.131 1
1 825 . 11 1 1 A 76 76 MET N N 76 117.176 120.349 -3.173 1
1 826 . 11 1 1 A 76 76 MET H H 76 8.450 8.684 -0.234 1
1 827 . 11 1 1 A 76 76 MET CA C 76 55.468 55.588 -0.120 1
1 828 . 11 1 1 A 76 76 MET HA H 76 4.275 4.840 -0.565 1
1 829 . 11 1 1 A 76 76 MET CB C 76 34.487 33.332 1.155 1
1 837 . 11 1 1 A 76 76 MET C C 76 175.964 176.120 -0.156 1
1 840 . 11 1 1 A 77 77 GLY N N 77 106.906 105.872 1.034 1
1 841 . 11 1 1 A 77 77 GLY H H 77 9.058 7.796 1.262 1
1 842 . 11 1 1 A 77 77 GLY CA C 77 43.832 45.561 -1.729 1
1 843 . 11 1 1 A 77 77 GLY HA3 H 77 3.944 4.085 -0.141 1
1 844 . 11 1 1 A 77 77 GLY C C 77 176.459 172.464 3.995 1
1 845 . 11 1 1 A 77 77 GLY HA2 H 77 4.787 4.062 0.725 1
1 846 . 11 1 1 A 78 78 VAL N N 78 125.184 122.314 2.870 1
1 847 . 11 1 1 A 78 78 VAL H H 78 9.293 8.199 1.094 1
1 848 . 11 1 1 A 78 78 VAL CA C 78 64.999 61.558 3.441 1
1 849 . 11 1 1 A 78 78 VAL HA H 78 4.178 4.453 -0.275 1
1 850 . 11 1 1 A 78 78 VAL CB C 78 31.558 33.070 -1.512 1
1 860 . 11 1 1 A 78 78 VAL C C 78 175.942 174.796 1.146 1
1 861 . 11 1 1 A 79 79 HIS N N 79 128.345 127.316 1.029 1
1 862 . 11 1 1 A 79 79 HIS H H 79 9.553 8.673 0.880 1
1 863 . 11 1 1 A 79 79 HIS CA C 79 55.063 54.888 0.175 1
1 864 . 11 1 1 A 79 79 HIS HA H 79 4.798 4.996 -0.198 1
1 865 . 11 1 1 A 79 79 HIS CB C 79 31.489 30.680 0.809 1
1 871 . 11 1 1 A 79 79 HIS C C 79 174.069 174.706 -0.637 1
1 873 . 11 1 1 A 80 80 THR N N 80 114.672 116.522 -1.850 1
1 874 . 11 1 1 A 80 80 THR H H 80 8.452 8.293 0.159 1
1 875 . 11 1 1 A 80 80 THR CA C 80 61.075 61.615 -0.540 1
1 876 . 11 1 1 A 80 80 THR HA H 80 5.213 5.015 0.198 1
1 877 . 11 1 1 A 80 80 THR CB C 80 70.795 71.412 -0.617 1
1 883 . 11 1 1 A 80 80 THR C C 80 173.863 173.315 0.548 1
1 884 . 11 1 1 A 81 81 VAL N N 81 127.546 129.039 -1.493 1
1 885 . 11 1 1 A 81 81 VAL H H 81 9.701 9.403 0.298 1
1 886 . 11 1 1 A 81 81 VAL CA C 81 60.799 62.253 -1.454 1
1 887 . 11 1 1 A 81 81 VAL HA H 81 4.782 4.540 0.242 1
1 888 . 11 1 1 A 81 81 VAL CB C 81 33.635 32.272 1.363 1
1 898 . 11 1 1 A 81 81 VAL C C 81 174.707 175.481 -0.774 1
1 899 . 11 1 1 A 82 82 SER N N 82 123.308 125.341 -2.033 1
1 900 . 11 1 1 A 82 82 SER H H 82 9.104 9.025 0.079 1
1 901 . 11 1 1 A 82 82 SER CA C 82 56.981 58.042 -1.061 1
1 902 . 11 1 1 A 82 82 SER HA H 82 5.108 5.207 -0.099 1
1 903 . 11 1 1 A 82 82 SER CB C 82 64.728 63.843 0.885 1
1 905 . 11 1 1 A 82 82 SER C C 82 173.688 173.673 0.015 1
1 907 . 11 1 1 A 83 83 VAL N N 83 129.049 126.872 2.177 1
1 908 . 11 1 1 A 83 83 VAL H H 83 9.925 8.964 0.961 1
1 909 . 11 1 1 A 83 83 VAL CA C 83 61.669 61.378 0.291 1
1 910 . 11 1 1 A 83 83 VAL HA H 83 4.897 4.709 0.188 1
1 911 . 11 1 1 A 83 83 VAL CB C 83 33.590 32.997 0.593 1
1 921 . 11 1 1 A 83 83 VAL C C 83 174.094 174.776 -0.682 1
1 922 . 11 1 1 A 84 84 LYS N N 84 123.792 127.182 -3.390 1
1 923 . 11 1 1 A 84 84 LYS H H 84 8.768 8.586 0.182 1
1 924 . 11 1 1 A 84 84 LYS CA C 84 54.435 54.402 0.033 1
1 925 . 11 1 1 A 84 84 LYS HA H 84 5.153 4.844 0.309 1
1 926 . 11 1 1 A 84 84 LYS CB C 84 37.608 35.329 2.279 1
1 934 . 11 1 1 A 84 84 LYS C C 84 174.908 174.136 0.772 1
1 939 . 11 1 1 A 85 85 TYR N N 85 120.439 125.253 -4.814 1
1 940 . 11 1 1 A 85 85 TYR H H 85 8.926 9.249 -0.323 1
1 941 . 11 1 1 A 85 85 TYR CA C 85 56.005 57.272 -1.267 1
1 942 . 11 1 1 A 85 85 TYR HA H 85 4.938 4.830 0.108 1
1 943 . 11 1 1 A 85 85 TYR CB C 85 41.386 40.248 1.138 1
1 953 . 11 1 1 A 85 85 TYR C C 85 175.255 175.061 0.194 1
1 955 . 11 1 1 A 86 86 ARG N N 86 127.150 128.511 -1.361 1
1 956 . 11 1 1 A 86 86 ARG H H 86 9.115 9.372 -0.257 1
1 957 . 11 1 1 A 86 86 ARG CA C 86 57.122 57.021 0.101 1
1 958 . 11 1 1 A 86 86 ARG HA H 86 3.659 3.873 -0.214 1
1 959 . 11 1 1 A 86 86 ARG CB C 86 27.563 27.536 0.027 1
1 965 . 11 1 1 A 86 86 ARG C C 86 176.482 176.164 0.318 1
1 969 . 11 1 1 A 87 87 GLY N N 87 102.394 104.879 -2.485 1
1 970 . 11 1 1 A 87 87 GLY H H 87 8.564 8.460 0.104 1
1 971 . 11 1 1 A 87 87 GLY CA C 87 45.388 45.640 -0.252 1
1 972 . 11 1 1 A 87 87 GLY HA3 H 87 4.099 3.811 0.288 1
1 973 . 11 1 1 A 87 87 GLY C C 87 173.631 173.839 -0.208 1
1 974 . 11 1 1 A 87 87 GLY HA2 H 87 3.460 3.802 -0.342 1
1 975 . 11 1 1 A 88 88 GLN N N 88 119.060 119.124 -0.064 1
1 976 . 11 1 1 A 88 88 GLN H H 88 7.665 7.798 -0.133 1
1 977 . 11 1 1 A 88 88 GLN CA C 88 53.265 54.392 -1.127 1
1 978 . 11 1 1 A 88 88 GLN HA H 88 4.749 4.714 0.035 1
1 979 . 11 1 1 A 88 88 GLN CB C 88 31.383 30.859 0.524 1
1 986 . 11 1 1 A 88 88 GLN C C 88 175.689 174.795 0.894 1
1 989 . 11 1 1 A 89 89 HIS N N 89 123.344 123.704 -0.360 1
1 990 . 11 1 1 A 89 89 HIS H H 89 8.789 8.753 0.036 1
1 991 . 11 1 1 A 89 89 HIS CA C 89 59.011 57.415 1.596 1
1 992 . 11 1 1 A 89 89 HIS HA H 89 4.546 4.621 -0.075 1
1 993 . 11 1 1 A 89 89 HIS CB C 89 32.365 29.955 2.410 1
1 999 . 11 1 1 A 89 89 HIS C C 89 178.152 175.632 2.520 1
1 1001 . 11 1 1 A 90 90 VAL N N 90 117.749 122.094 -4.345 1
1 1002 . 11 1 1 A 90 90 VAL H H 90 8.436 8.279 0.157 1
1 1003 . 11 1 1 A 90 90 VAL CA C 90 60.473 62.086 -1.613 1
1 1004 . 11 1 1 A 90 90 VAL HA H 90 4.535 4.118 0.417 1
1 1005 . 11 1 1 A 90 90 VAL CB C 90 32.489 33.523 -1.034 1
1 1015 . 11 1 1 A 90 90 VAL C C 90 176.018 175.461 0.557 1
1 1016 . 11 1 1 A 91 91 THR N N 91 118.099 116.711 1.388 1
1 1017 . 11 1 1 A 91 91 THR H H 91 8.491 8.496 -0.005 1
1 1018 . 11 1 1 A 91 91 THR CA C 91 65.519 65.067 0.452 1
1 1019 . 11 1 1 A 91 91 THR HA H 91 3.924 3.806 0.118 1
1 1020 . 11 1 1 A 91 91 THR CB C 91 68.972 68.476 0.496 1
1 1026 . 11 1 1 A 91 91 THR C C 91 174.771 176.107 -1.336 1
1 1027 . 11 1 1 A 92 92 GLY N N 92 116.032 115.071 0.961 1
1 1028 . 11 1 1 A 92 92 GLY H H 92 8.563 8.973 -0.410 1
1 1029 . 11 1 1 A 92 92 GLY CA C 92 44.842 46.640 -1.798 1
1 1030 . 11 1 1 A 92 92 GLY HA3 H 92 4.213 3.950 0.263 1
1 1031 . 11 1 1 A 92 92 GLY C C 92 172.199 173.295 -1.096 1
1 1032 . 11 1 1 A 92 92 GLY HA2 H 92 3.361 3.828 -0.467 1
1 1033 . 11 1 1 A 93 93 SER N N 93 113.106 115.402 -2.296 1
1 1034 . 11 1 1 A 93 93 SER H H 93 7.806 7.302 0.504 1
1 1035 . 11 1 1 A 93 93 SER CA C 93 54.600 54.501 0.099 1
1 1036 . 11 1 1 A 93 93 SER HA H 93 4.159 4.114 0.045 1
1 1037 . 11 1 1 A 93 93 SER CB C 93 62.787 65.183 -2.396 1
1 1039 . 11 1 1 A 93 93 SER C C 93 174.123 172.343 1.780 1
1 1041 . 11 1 1 A 94 94 PRO CA C 94 62.619 62.236 0.383 1
1 1042 . 11 1 1 A 94 94 PRO HA H 94 5.537 4.478 1.059 1
1 1043 . 11 1 1 A 94 94 PRO CB C 94 34.521 32.991 1.530 1
1 1049 . 11 1 1 A 94 94 PRO C C 94 176.046 174.982 1.064 1
1 1053 . 11 1 1 A 95 95 PHE N N 95 120.547 119.726 0.821 1
1 1054 . 11 1 1 A 95 95 PHE H H 95 9.127 8.955 0.172 1
1 1055 . 11 1 1 A 95 95 PHE CA C 95 56.700 56.745 -0.045 1
1 1056 . 11 1 1 A 95 95 PHE HA H 95 4.844 5.022 -0.178 1
1 1057 . 11 1 1 A 95 95 PHE CB C 95 41.285 40.368 0.917 1
1 1069 . 11 1 1 A 95 95 PHE C C 95 175.219 174.916 0.303 1
1 1071 . 11 1 1 A 96 96 GLN N N 96 120.382 125.580 -5.198 1
1 1072 . 11 1 1 A 96 96 GLN H H 96 8.896 9.049 -0.153 1
1 1073 . 11 1 1 A 96 96 GLN CA C 96 55.028 55.475 -0.447 1
1 1074 . 11 1 1 A 96 96 GLN HA H 96 5.440 4.909 0.531 1
1 1075 . 11 1 1 A 96 96 GLN CB C 96 31.867 29.895 1.972 1
1 1082 . 11 1 1 A 96 96 GLN C C 96 175.480 175.265 0.215 1
1 1085 . 11 1 1 A 97 97 PHE N N 97 121.331 121.330 0.001 1
1 1086 . 11 1 1 A 97 97 PHE H H 97 8.822 8.873 -0.051 1
1 1087 . 11 1 1 A 97 97 PHE CA C 97 56.931 56.363 0.568 1
1 1088 . 11 1 1 A 97 97 PHE HA H 97 4.960 5.169 -0.209 1
1 1089 . 11 1 1 A 97 97 PHE CB C 97 42.133 41.888 0.245 1
1 1101 . 11 1 1 A 97 97 PHE C C 97 173.780 172.165 1.615 1
1 1103 . 11 1 1 A 98 98 THR N N 98 121.160 116.586 4.574 1
1 1104 . 11 1 1 A 98 98 THR H H 98 8.907 8.813 0.094 1
1 1105 . 11 1 1 A 98 98 THR CA C 98 63.381 61.898 1.483 1
1 1106 . 11 1 1 A 98 98 THR HA H 98 4.487 4.718 -0.231 1
1 1107 . 11 1 1 A 98 98 THR CB C 98 69.599 69.935 -0.336 1
1 1113 . 11 1 1 A 98 98 THR C C 98 173.058 173.897 -0.839 1
1 1114 . 11 1 1 A 99 99 VAL N N 99 128.111 125.183 2.928 1
1 1115 . 11 1 1 A 99 99 VAL H H 99 8.240 8.671 -0.431 1
1 1116 . 11 1 1 A 99 99 VAL CA C 99 61.670 60.423 1.247 1
1 1117 . 11 1 1 A 99 99 VAL HA H 99 4.271 4.918 -0.647 1
1 1118 . 11 1 1 A 99 99 VAL CB C 99 32.962 34.149 -1.187 1
1 1128 . 11 1 1 A 99 99 VAL C C 99 176.689 175.268 1.421 1
1 1129 . 11 1 1 A 100 100 GLY N N 100 118.412 111.525 6.887 1
1 1130 . 11 1 1 A 100 100 GLY H H 100 8.946 8.522 0.424 1
1 1131 . 11 1 1 A 100 100 GLY CA C 100 44.504 44.483 0.021 1
1 1132 . 11 1 1 A 100 100 GLY HA3 H 100 4.506 4.349 0.157 1
1 1133 . 11 1 1 A 100 100 GLY C C 100 170.474 171.928 -1.454 1
1 1134 . 11 1 1 A 100 100 GLY HA2 H 100 4.136 4.345 -0.209 1
1 1135 . 11 1 1 A 101 101 PRO CA C 101 62.588 62.388 0.200 1
1 1136 . 11 1 1 A 101 101 PRO HA H 101 4.525 4.537 -0.012 1
1 1137 . 11 1 1 A 101 101 PRO CB C 101 32.641 33.155 -0.514 1
1 1143 . 11 1 1 A 101 101 PRO C C 101 176.696 176.104 0.592 1
1 1147 . 11 1 1 A 102 102 LEU N N 102 121.326 122.947 -1.621 1
1 1148 . 11 1 1 A 102 102 LEU H H 102 8.374 8.459 -0.085 1
1 1149 . 11 1 1 A 102 102 LEU CA C 102 55.855 54.757 1.098 1
1 1150 . 11 1 1 A 102 102 LEU HA H 102 4.221 4.383 -0.162 1
1 1151 . 11 1 1 A 102 102 LEU CB C 102 42.652 42.028 0.624 1
1 1163 . 11 1 1 A 102 102 LEU C C 102 178.005 176.361 1.644 1
1 1165 . 11 1 1 A 103 103 GLY N N 103 110.870 113.636 -2.766 1
1 1166 . 11 1 1 A 103 103 GLY H H 103 8.481 8.390 0.091 1
1 1167 . 11 1 1 A 103 103 GLY CA C 103 45.208 46.519 -1.311 1
1 1168 . 11 1 1 A 103 103 GLY HA3 H 103 3.927 4.036 -0.109 1
1 1169 . 11 1 1 A 103 103 GLY C C 103 174.126 175.326 -1.200 1
1 1170 . 11 1 1 A 103 103 GLY HA2 H 103 3.991 4.035 -0.044 1
1 1171 . 11 1 1 A 104 104 GLU N N 104 120.771 121.068 -0.297 1
1 1172 . 11 1 1 A 104 104 GLU H H 104 8.308 7.838 0.470 1
1 1173 . 11 1 1 A 104 104 GLU CA C 104 56.713 58.159 -1.446 1
1 1174 . 11 1 1 A 104 104 GLU HA H 104 4.318 4.296 0.022 1
1 1175 . 11 1 1 A 104 104 GLU CB C 104 30.470 31.320 -0.850 1
1 1179 . 11 1 1 A 104 104 GLU C C 104 177.052 176.558 0.494 1
1 1182 . 11 1 1 A 105 105 GLY N N 105 110.589 107.301 3.288 1
1 1183 . 11 1 1 A 105 105 GLY H H 105 8.546 7.821 0.725 1
1 1184 . 11 1 1 A 105 105 GLY CA C 105 45.256 45.444 -0.188 1
1 1185 . 11 1 1 A 105 105 GLY HA3 H 105 3.925 4.091 -0.166 1
1 1186 . 11 1 1 A 105 105 GLY C C 105 173.795 174.151 -0.356 1
1 1187 . 11 1 1 A 105 105 GLY HA2 H 105 3.992 4.091 -0.099 1
1 1 . 12 1 1 A 7 7 GLY CA C 7 45.415 46.529 -1.114 1
1 2 . 12 1 1 A 7 7 GLY HA3 H 7 3.972 3.955 0.017 1
1 3 . 12 1 1 A 7 7 GLY C C 7 174.102 174.469 -0.367 1
1 4 . 12 1 1 A 7 7 GLY HA2 H 7 3.972 3.955 0.017 1
1 5 . 12 1 1 A 8 8 ARG N N 8 120.724 119.226 1.498 1
1 6 . 12 1 1 A 8 8 ARG H H 8 8.124 7.920 0.204 1
1 7 . 12 1 1 A 8 8 ARG CA C 8 56.123 54.071 2.052 1
1 8 . 12 1 1 A 8 8 ARG HA H 8 4.363 4.734 -0.371 1
1 9 . 12 1 1 A 8 8 ARG CB C 8 30.881 32.620 -1.739 1
1 15 . 12 1 1 A 8 8 ARG C C 8 176.487 175.008 1.479 1
1 19 . 12 1 1 A 9 9 VAL N N 9 121.839 120.496 1.343 1
1 20 . 12 1 1 A 9 9 VAL H H 9 8.204 8.685 -0.481 1
1 21 . 12 1 1 A 9 9 VAL CA C 9 62.438 61.556 0.882 1
1 22 . 12 1 1 A 9 9 VAL HA H 9 4.081 4.640 -0.559 1
1 23 . 12 1 1 A 9 9 VAL CB C 9 32.773 34.057 -1.284 1
1 33 . 12 1 1 A 9 9 VAL C C 9 176.204 175.097 1.107 1
1 34 . 12 1 1 A 10 10 LYS N N 10 125.552 126.259 -0.707 1
1 35 . 12 1 1 A 10 10 LYS H H 10 8.437 8.698 -0.261 1
1 36 . 12 1 1 A 10 10 LYS CA C 10 56.575 55.584 0.991 1
1 37 . 12 1 1 A 10 10 LYS HA H 10 4.280 4.529 -0.249 1
1 38 . 12 1 1 A 10 10 LYS CB C 10 33.046 32.156 0.890 1
1 46 . 12 1 1 A 10 10 LYS C C 10 176.486 176.090 0.396 1
1 51 . 12 1 1 A 11 11 GLU N N 11 122.741 121.182 1.559 1
1 52 . 12 1 1 A 11 11 GLU H H 11 8.490 7.573 0.917 1
1 53 . 12 1 1 A 11 11 GLU CA C 11 56.717 56.782 -0.065 1
1 54 . 12 1 1 A 11 11 GLU HA H 11 4.303 4.344 -0.041 1
1 55 . 12 1 1 A 11 11 GLU CB C 11 30.422 30.351 0.071 1
1 59 . 12 1 1 A 11 11 GLU C C 11 176.428 176.364 0.064 1
1 62 . 12 1 1 A 12 12 SER N N 12 117.227 118.596 -1.369 1
1 63 . 12 1 1 A 12 12 SER H H 12 8.434 8.711 -0.277 1
1 64 . 12 1 1 A 12 12 SER CA C 12 58.340 57.995 0.345 1
1 65 . 12 1 1 A 12 12 SER HA H 12 4.477 4.679 -0.202 1
1 66 . 12 1 1 A 12 12 SER CB C 12 63.670 64.285 -0.615 1
1 68 . 12 1 1 A 12 12 SER C C 12 174.574 174.071 0.503 1
1 70 . 12 1 1 A 13 13 ILE N N 13 122.704 119.546 3.158 1
1 71 . 12 1 1 A 13 13 ILE H H 13 8.189 8.610 -0.421 1
1 72 . 12 1 1 A 13 13 ILE CA C 13 61.364 58.789 2.575 1
1 73 . 12 1 1 A 13 13 ILE HA H 13 4.270 5.133 -0.863 1
1 74 . 12 1 1 A 13 13 ILE CB C 13 38.870 42.154 -3.284 1
1 86 . 12 1 1 A 13 13 ILE C C 13 176.445 174.247 2.198 1
1 88 . 12 1 1 A 14 14 THR N N 14 118.671 116.412 2.259 1
1 89 . 12 1 1 A 14 14 THR H H 14 8.265 8.639 -0.374 1
1 90 . 12 1 1 A 14 14 THR CA C 14 62.080 59.792 2.288 1
1 91 . 12 1 1 A 14 14 THR HA H 14 4.338 5.151 -0.813 1
1 92 . 12 1 1 A 14 14 THR CB C 14 69.779 71.197 -1.418 1
1 98 . 12 1 1 A 14 14 THR C C 14 174.465 172.224 2.241 1
1 99 . 12 1 1 A 15 15 ARG N N 15 124.132 126.083 -1.951 1
1 100 . 12 1 1 A 15 15 ARG H H 15 8.428 8.538 -0.110 1
1 101 . 12 1 1 A 15 15 ARG CA C 15 56.221 55.280 0.941 1
1 102 . 12 1 1 A 15 15 ARG HA H 15 4.447 4.664 -0.217 1
1 103 . 12 1 1 A 15 15 ARG CB C 15 30.949 34.007 -3.058 1
1 109 . 12 1 1 A 15 15 ARG C C 15 176.374 174.644 1.730 1
1 113 . 12 1 1 A 16 16 THR N N 16 115.339 116.080 -0.741 1
1 114 . 12 1 1 A 16 16 THR H H 16 8.232 8.533 -0.301 1
1 115 . 12 1 1 A 16 16 THR CA C 16 61.828 61.736 0.092 1
1 116 . 12 1 1 A 16 16 THR HA H 16 4.389 4.503 -0.114 1
1 117 . 12 1 1 A 16 16 THR CB C 16 69.896 68.479 1.417 1
1 123 . 12 1 1 A 16 16 THR C C 16 174.518 174.026 0.492 1
1 124 . 12 1 1 A 17 17 SER N N 17 118.278 122.712 -4.434 1
1 125 . 12 1 1 A 17 17 SER H H 17 8.331 8.220 0.111 1
1 126 . 12 1 1 A 17 17 SER CA C 17 58.326 58.901 -0.575 1
1 127 . 12 1 1 A 17 17 SER HA H 17 4.500 4.334 0.166 1
1 128 . 12 1 1 A 17 17 SER CB C 17 63.918 63.476 0.442 1
1 130 . 12 1 1 A 17 17 SER C C 17 174.172 174.052 0.120 1
1 132 . 12 1 1 A 18 18 ARG N N 18 122.935 126.246 -3.311 1
1 133 . 12 1 1 A 18 18 ARG H H 18 8.376 8.492 -0.116 1
1 134 . 12 1 1 A 18 18 ARG CA C 18 55.772 56.278 -0.506 1
1 135 . 12 1 1 A 18 18 ARG HA H 18 4.386 4.237 0.149 1
1 136 . 12 1 1 A 18 18 ARG CB C 18 31.073 30.613 0.460 1
1 142 . 12 1 1 A 18 18 ARG C C 18 175.493 176.177 -0.684 1
1 146 . 12 1 1 A 19 19 ALA N N 19 126.804 122.913 3.891 1
1 147 . 12 1 1 A 19 19 ALA H H 19 8.357 8.247 0.110 1
1 148 . 12 1 1 A 19 19 ALA CA C 19 50.553 51.086 -0.533 1
1 149 . 12 1 1 A 19 19 ALA HA H 19 4.585 4.326 0.259 1
1 150 . 12 1 1 A 19 19 ALA CB C 19 18.208 18.443 -0.235 1
1 154 . 12 1 1 A 19 19 ALA C C 19 175.408 176.201 -0.793 1
1 155 . 12 1 1 A 20 20 PRO CA C 20 63.352 62.558 0.794 1
1 156 . 12 1 1 A 20 20 PRO HA H 20 4.455 4.639 -0.184 1
1 157 . 12 1 1 A 20 20 PRO CB C 20 32.196 32.837 -0.641 1
1 163 . 12 1 1 A 20 20 PRO C C 20 176.846 175.311 1.535 1
1 167 . 12 1 1 A 21 21 SER N N 21 116.414 115.404 1.010 1
1 168 . 12 1 1 A 21 21 SER H H 21 8.449 8.261 0.188 1
1 169 . 12 1 1 A 21 21 SER CA C 21 58.507 57.959 0.548 1
1 170 . 12 1 1 A 21 21 SER HA H 21 4.475 4.852 -0.377 1
1 171 . 12 1 1 A 21 21 SER CB C 21 63.851 66.146 -2.295 1
1 173 . 12 1 1 A 21 21 SER C C 21 174.344 172.987 1.357 1
1 175 . 12 1 1 A 22 22 VAL N N 22 120.580 128.584 -8.004 1
1 176 . 12 1 1 A 22 22 VAL H H 22 8.110 8.627 -0.517 1
1 177 . 12 1 1 A 22 22 VAL CA C 22 61.788 62.887 -1.099 1
1 178 . 12 1 1 A 22 22 VAL HA H 22 4.293 4.166 0.127 1
1 179 . 12 1 1 A 22 22 VAL CB C 22 33.445 31.946 1.499 1
1 189 . 12 1 1 A 22 22 VAL C C 22 175.160 174.693 0.467 1
1 190 . 12 1 1 A 23 23 ALA N N 23 127.788 131.187 -3.399 1
1 191 . 12 1 1 A 23 23 ALA H H 23 8.428 8.771 -0.343 1
1 192 . 12 1 1 A 23 23 ALA CA C 23 51.790 50.425 1.365 1
1 193 . 12 1 1 A 23 23 ALA HA H 23 4.594 5.160 -0.566 1
1 194 . 12 1 1 A 23 23 ALA CB C 23 21.050 23.325 -2.275 1
1 198 . 12 1 1 A 23 23 ALA C C 23 176.198 175.121 1.077 1
1 199 . 12 1 1 A 24 24 THR N N 24 115.139 116.367 -1.228 1
1 200 . 12 1 1 A 24 24 THR H H 24 8.338 8.937 -0.599 1
1 201 . 12 1 1 A 24 24 THR CA C 24 60.519 59.525 0.994 1
1 202 . 12 1 1 A 24 24 THR HA H 24 4.674 5.014 -0.340 1
1 203 . 12 1 1 A 24 24 THR CB C 24 72.048 71.243 0.805 1
1 209 . 12 1 1 A 24 24 THR C C 24 173.979 172.295 1.684 1
1 210 . 12 1 1 A 25 25 VAL N N 25 122.772 122.370 0.402 1
1 211 . 12 1 1 A 25 25 VAL H H 25 8.002 8.805 -0.803 1
1 212 . 12 1 1 A 25 25 VAL CA C 25 64.582 59.733 4.849 1
1 213 . 12 1 1 A 25 25 VAL HA H 25 3.280 4.742 -1.462 1
1 214 . 12 1 1 A 25 25 VAL CB C 25 32.102 34.480 -2.378 1
1 224 . 12 1 1 A 25 25 VAL C C 25 176.709 175.904 0.805 1
1 225 . 12 1 1 A 26 26 GLY N N 26 112.345 116.267 -3.922 1
1 226 . 12 1 1 A 26 26 GLY H H 26 8.344 8.814 -0.470 1
1 227 . 12 1 1 A 26 26 GLY CA C 26 45.534 46.604 -1.070 1
1 228 . 12 1 1 A 26 26 GLY HA3 H 26 4.166 3.957 0.209 1
1 229 . 12 1 1 A 26 26 GLY C C 26 173.701 173.385 0.316 1
1 230 . 12 1 1 A 26 26 GLY HA2 H 26 3.519 3.945 -0.426 1
1 231 . 12 1 1 A 27 27 SER N N 27 116.474 113.173 3.301 1
1 232 . 12 1 1 A 27 27 SER H H 27 7.738 7.690 0.048 1
1 233 . 12 1 1 A 27 27 SER CA C 27 57.264 57.320 -0.056 1
1 234 . 12 1 1 A 27 27 SER HA H 27 4.692 4.681 0.011 1
1 235 . 12 1 1 A 27 27 SER CB C 27 65.270 64.538 0.732 1
1 237 . 12 1 1 A 27 27 SER C C 27 172.491 172.979 -0.488 1
1 239 . 12 1 1 A 28 28 ILE N N 28 122.052 123.306 -1.254 1
1 240 . 12 1 1 A 28 28 ILE H H 28 8.350 8.632 -0.282 1
1 241 . 12 1 1 A 28 28 ILE CA C 28 62.995 61.920 1.075 1
1 242 . 12 1 1 A 28 28 ILE HA H 28 3.693 4.122 -0.429 1
1 243 . 12 1 1 A 28 28 ILE CB C 28 38.221 36.907 1.314 1
1 255 . 12 1 1 A 28 28 ILE C C 28 175.624 174.655 0.969 1
1 257 . 12 1 1 A 29 29 CYS N N 29 129.493 127.803 1.690 1
1 258 . 12 1 1 A 29 29 CYS H H 29 8.730 9.010 -0.280 1
1 259 . 12 1 1 A 29 29 CYS CA C 29 58.201 57.334 0.867 1
1 260 . 12 1 1 A 29 29 CYS HA H 29 4.451 4.754 -0.303 1
1 261 . 12 1 1 A 29 29 CYS CB C 29 28.560 28.119 0.441 1
1 263 . 12 1 1 A 29 29 CYS C C 29 171.207 173.230 -2.023 1
1 265 . 12 1 1 A 30 30 ASP N N 30 123.789 130.063 -6.274 1
1 266 . 12 1 1 A 30 30 ASP H H 30 8.000 8.795 -0.795 1
1 267 . 12 1 1 A 30 30 ASP CA C 30 52.692 54.492 -1.800 1
1 268 . 12 1 1 A 30 30 ASP HA H 30 5.315 4.555 0.760 1
1 269 . 12 1 1 A 30 30 ASP CB C 30 43.397 41.563 1.834 1
1 271 . 12 1 1 A 30 30 ASP C C 30 175.569 175.079 0.490 1
1 273 . 12 1 1 A 31 31 LEU N N 31 125.116 127.186 -2.070 1
1 274 . 12 1 1 A 31 31 LEU H H 31 9.147 9.029 0.118 1
1 275 . 12 1 1 A 31 31 LEU CA C 31 53.606 53.520 0.086 1
1 276 . 12 1 1 A 31 31 LEU HA H 31 4.515 4.704 -0.189 1
1 277 . 12 1 1 A 31 31 LEU CB C 31 43.262 43.976 -0.714 1
1 289 . 12 1 1 A 31 31 LEU C C 31 174.935 175.574 -0.639 1
1 291 . 12 1 1 A 32 32 ASN N N 32 124.687 124.760 -0.073 1
1 292 . 12 1 1 A 32 32 ASN H H 32 8.690 8.638 0.052 1
1 293 . 12 1 1 A 32 32 ASN CA C 32 53.696 52.565 1.131 1
1 294 . 12 1 1 A 32 32 ASN HA H 32 5.077 5.058 0.019 1
1 295 . 12 1 1 A 32 32 ASN CB C 32 39.842 39.113 0.729 1
1 300 . 12 1 1 A 32 32 ASN C C 32 174.322 174.845 -0.523 1
1 302 . 12 1 1 A 33 33 LEU N N 33 123.838 124.999 -1.161 1
1 303 . 12 1 1 A 33 33 LEU H H 33 8.912 8.402 0.510 1
1 304 . 12 1 1 A 33 33 LEU CA C 33 53.820 53.098 0.722 1
1 305 . 12 1 1 A 33 33 LEU HA H 33 4.638 5.030 -0.392 1
1 306 . 12 1 1 A 33 33 LEU CB C 33 45.587 45.272 0.315 1
1 318 . 12 1 1 A 33 33 LEU C C 33 175.719 175.233 0.486 1
1 320 . 12 1 1 A 34 34 LYS N N 34 124.925 122.104 2.821 1
1 321 . 12 1 1 A 34 34 LYS H H 34 8.718 8.604 0.114 1
1 322 . 12 1 1 A 34 34 LYS CA C 34 55.079 55.665 -0.586 1
1 323 . 12 1 1 A 34 34 LYS HA H 34 5.036 4.600 0.436 1
1 324 . 12 1 1 A 34 34 LYS CB C 34 32.121 32.346 -0.225 1
1 332 . 12 1 1 A 34 34 LYS C C 34 176.081 175.553 0.528 1
1 337 . 12 1 1 A 35 35 ILE N N 35 123.769 126.312 -2.543 1
1 338 . 12 1 1 A 35 35 ILE H H 35 7.935 8.497 -0.562 1
1 339 . 12 1 1 A 35 35 ILE CA C 35 58.161 57.338 0.823 1
1 340 . 12 1 1 A 35 35 ILE HA H 35 4.612 4.599 0.013 1
1 341 . 12 1 1 A 35 35 ILE CB C 35 40.616 39.740 0.876 1
1 353 . 12 1 1 A 35 35 ILE C C 35 173.405 174.518 -1.113 1
1 355 . 12 1 1 A 36 36 PRO CA C 36 63.143 62.283 0.860 1
1 356 . 12 1 1 A 36 36 PRO HA H 36 4.435 4.609 -0.174 1
1 357 . 12 1 1 A 36 36 PRO CB C 36 32.806 33.299 -0.493 1
1 363 . 12 1 1 A 36 36 PRO C C 36 176.844 177.365 -0.521 1
1 367 . 12 1 1 A 37 37 GLU N N 37 114.188 120.061 -5.873 1
1 368 . 12 1 1 A 37 37 GLU H H 37 8.358 8.862 -0.504 1
1 369 . 12 1 1 A 37 37 GLU CA C 37 59.038 58.788 0.250 1
1 370 . 12 1 1 A 37 37 GLU HA H 37 3.916 4.118 -0.202 1
1 371 . 12 1 1 A 37 37 GLU CB C 37 28.206 28.773 -0.567 1
1 375 . 12 1 1 A 37 37 GLU C C 37 175.996 177.288 -1.292 1
1 378 . 12 1 1 A 38 38 ILE N N 38 118.733 123.733 -5.000 1
1 379 . 12 1 1 A 38 38 ILE H H 38 7.679 7.309 0.370 1
1 380 . 12 1 1 A 38 38 ILE CA C 38 60.711 62.056 -1.345 1
1 381 . 12 1 1 A 38 38 ILE HA H 38 4.029 3.779 0.250 1
1 382 . 12 1 1 A 38 38 ILE CB C 38 40.278 37.860 2.418 1
1 394 . 12 1 1 A 38 38 ILE C C 38 175.255 175.883 -0.628 1
1 396 . 12 1 1 A 39 39 ASN H H 39 8.593 8.860 -0.267 1
1 397 . 12 1 1 A 39 39 ASN CA C 39 52.929 52.352 0.577 1
1 398 . 12 1 1 A 39 39 ASN HA H 39 4.921 4.951 -0.030 1
1 399 . 12 1 1 A 39 39 ASN CB C 39 39.419 39.674 -0.255 1
1 404 . 12 1 1 A 39 39 ASN C C 39 176.891 176.554 0.337 1
1 406 . 12 1 1 A 40 40 SER N N 40 120.676 117.990 2.686 1
1 407 . 12 1 1 A 40 40 SER H H 40 8.995 8.997 -0.002 1
1 408 . 12 1 1 A 40 40 SER CA C 40 62.318 62.000 0.318 1
1 409 . 12 1 1 A 40 40 SER HA H 40 4.058 4.065 -0.007 1
1 410 . 12 1 1 A 40 40 SER CB C 40 63.297 62.552 0.745 1
1 412 . 12 1 1 A 40 40 SER C C 40 176.866 176.576 0.290 1
1 414 . 12 1 1 A 41 41 SER N N 41 112.249 116.257 -4.008 1
1 415 . 12 1 1 A 41 41 SER H H 41 8.253 8.308 -0.055 1
1 416 . 12 1 1 A 41 41 SER CA C 41 60.133 61.187 -1.054 1
1 417 . 12 1 1 A 41 41 SER HA H 41 4.348 4.088 0.260 1
1 418 . 12 1 1 A 41 41 SER CB C 41 62.986 63.005 -0.019 1
1 420 . 12 1 1 A 41 41 SER C C 41 174.885 176.067 -1.182 1
1 422 . 12 1 1 A 42 42 ASP N N 42 119.471 118.799 0.672 1
1 423 . 12 1 1 A 42 42 ASP H H 42 7.835 7.794 0.041 1
1 424 . 12 1 1 A 42 42 ASP CA C 42 54.713 56.331 -1.618 1
1 425 . 12 1 1 A 42 42 ASP HA H 42 4.933 4.679 0.254 1
1 426 . 12 1 1 A 42 42 ASP CB C 42 42.479 41.626 0.853 1
1 428 . 12 1 1 A 42 42 ASP C C 42 175.586 176.697 -1.111 1
1 430 . 12 1 1 A 43 43 MET N N 43 119.155 118.809 0.346 1
1 431 . 12 1 1 A 43 43 MET H H 43 7.549 7.759 -0.210 1
1 432 . 12 1 1 A 43 43 MET CA C 43 54.927 55.281 -0.354 1
1 433 . 12 1 1 A 43 43 MET HA H 43 5.359 4.773 0.586 1
1 434 . 12 1 1 A 43 43 MET CB C 43 37.158 34.169 2.989 1
1 442 . 12 1 1 A 43 43 MET C C 43 174.894 175.336 -0.442 1
1 445 . 12 1 1 A 44 44 SER N N 44 114.070 116.694 -2.624 1
1 446 . 12 1 1 A 44 44 SER H H 44 8.739 8.154 0.585 1
1 447 . 12 1 1 A 44 44 SER CA C 44 56.937 57.816 -0.879 1
1 448 . 12 1 1 A 44 44 SER HA H 44 4.700 5.244 -0.544 1
1 449 . 12 1 1 A 44 44 SER CB C 44 66.247 65.844 0.403 1
1 451 . 12 1 1 A 44 44 SER C C 44 172.764 173.188 -0.424 1
1 453 . 12 1 1 A 45 45 ALA N N 45 126.192 128.582 -2.390 1
1 454 . 12 1 1 A 45 45 ALA H H 45 9.123 8.874 0.249 1
1 455 . 12 1 1 A 45 45 ALA CA C 45 50.378 50.036 0.342 1
1 456 . 12 1 1 A 45 45 ALA HA H 45 5.741 5.817 -0.076 1
1 457 . 12 1 1 A 45 45 ALA CB C 45 23.330 22.248 1.082 1
1 461 . 12 1 1 A 45 45 ALA C C 45 175.089 175.794 -0.705 1
1 462 . 12 1 1 A 46 46 HIS N N 46 119.075 118.395 0.680 1
1 463 . 12 1 1 A 46 46 HIS H H 46 8.701 8.669 0.032 1
1 464 . 12 1 1 A 46 46 HIS CA C 46 55.999 54.921 1.078 1
1 465 . 12 1 1 A 46 46 HIS HA H 46 5.157 4.859 0.298 1
1 466 . 12 1 1 A 46 46 HIS CB C 46 34.239 33.536 0.703 1
1 472 . 12 1 1 A 46 46 HIS C C 46 174.155 173.822 0.333 1
1 474 . 12 1 1 A 47 47 VAL N N 47 125.059 124.079 0.980 1
1 475 . 12 1 1 A 47 47 VAL H H 47 9.488 8.715 0.773 1
1 476 . 12 1 1 A 47 47 VAL CA C 47 60.604 62.066 -1.462 1
1 477 . 12 1 1 A 47 47 VAL HA H 47 4.730 4.217 0.513 1
1 478 . 12 1 1 A 47 47 VAL CB C 47 33.769 31.916 1.853 1
1 488 . 12 1 1 A 47 47 VAL C C 47 175.126 175.218 -0.092 1
1 489 . 12 1 1 A 48 48 THR N N 48 124.473 122.830 1.643 1
1 490 . 12 1 1 A 48 48 THR H H 48 9.432 8.945 0.487 1
1 491 . 12 1 1 A 48 48 THR CA C 48 61.766 61.395 0.371 1
1 492 . 12 1 1 A 48 48 THR HA H 48 5.164 5.038 0.126 1
1 493 . 12 1 1 A 48 48 THR CB C 48 69.384 71.025 -1.641 1
1 499 . 12 1 1 A 48 48 THR C C 48 174.573 173.796 0.777 1
1 500 . 12 1 1 A 49 49 SER N N 49 125.657 118.993 6.664 1
1 501 . 12 1 1 A 49 49 SER H H 49 9.043 9.188 -0.145 1
1 502 . 12 1 1 A 49 49 SER CA C 49 56.638 55.480 1.158 1
1 503 . 12 1 1 A 49 49 SER HA H 49 4.225 5.180 -0.955 1
1 504 . 12 1 1 A 49 49 SER CB C 49 62.948 64.626 -1.678 1
1 506 . 12 1 1 A 49 49 SER C C 49 174.034 174.279 -0.245 1
1 508 . 12 1 1 A 50 50 PRO CA C 50 65.784 64.094 1.690 1
1 509 . 12 1 1 A 50 50 PRO HA H 50 4.260 4.463 -0.203 1
1 510 . 12 1 1 A 50 50 PRO CB C 50 31.493 31.579 -0.086 1
1 516 . 12 1 1 A 50 50 PRO C C 50 177.687 176.840 0.847 1
1 520 . 12 1 1 A 51 51 SER N N 51 110.322 110.762 -0.440 1
1 521 . 12 1 1 A 51 51 SER H H 51 8.349 7.698 0.651 1
1 522 . 12 1 1 A 51 51 SER CA C 51 59.076 58.395 0.681 1
1 523 . 12 1 1 A 51 51 SER HA H 51 4.332 4.531 -0.199 1
1 524 . 12 1 1 A 51 51 SER CB C 51 62.825 65.306 -2.481 1
1 526 . 12 1 1 A 51 51 SER C C 51 175.363 175.133 0.230 1
1 528 . 12 1 1 A 52 52 GLY N N 52 111.132 110.229 0.903 1
1 529 . 12 1 1 A 52 52 GLY H H 52 8.289 7.790 0.499 1
1 530 . 12 1 1 A 52 52 GLY CA C 52 44.831 45.050 -0.219 1
1 531 . 12 1 1 A 52 52 GLY HA3 H 52 4.302 4.019 0.283 1
1 532 . 12 1 1 A 52 52 GLY C C 52 174.002 173.901 0.101 1
1 533 . 12 1 1 A 52 52 GLY HA2 H 52 3.421 4.016 -0.595 1
1 534 . 12 1 1 A 53 53 ARG N N 53 121.515 119.318 2.197 1
1 535 . 12 1 1 A 53 53 ARG H H 53 7.322 7.721 -0.399 1
1 536 . 12 1 1 A 53 53 ARG CA C 53 56.749 54.131 2.618 1
1 537 . 12 1 1 A 53 53 ARG HA H 53 4.222 4.766 -0.544 1
1 538 . 12 1 1 A 53 53 ARG CB C 53 30.430 32.511 -2.081 1
1 544 . 12 1 1 A 53 53 ARG C C 53 176.023 175.470 0.553 1
1 548 . 12 1 1 A 54 54 VAL N N 54 128.383 121.720 6.663 1
1 549 . 12 1 1 A 54 54 VAL H H 54 8.780 8.622 0.158 1
1 550 . 12 1 1 A 54 54 VAL CA C 54 61.533 60.936 0.597 1
1 551 . 12 1 1 A 54 54 VAL HA H 54 5.243 5.059 0.184 1
1 552 . 12 1 1 A 54 54 VAL CB C 54 33.205 35.583 -2.378 1
1 562 . 12 1 1 A 54 54 VAL C C 54 176.783 175.636 1.147 1
1 563 . 12 1 1 A 55 55 THR N N 55 121.757 116.619 5.138 1
1 564 . 12 1 1 A 55 55 THR H H 55 9.188 9.279 -0.091 1
1 565 . 12 1 1 A 55 55 THR CA C 55 60.216 59.931 0.285 1
1 566 . 12 1 1 A 55 55 THR HA H 55 4.751 5.120 -0.369 1
1 567 . 12 1 1 A 55 55 THR CB C 55 71.896 71.301 0.595 1
1 573 . 12 1 1 A 55 55 THR C C 55 173.454 172.555 0.899 1
1 574 . 12 1 1 A 56 56 GLU N N 56 125.373 121.153 4.220 1
1 575 . 12 1 1 A 56 56 GLU H H 56 8.927 8.842 0.085 1
1 576 . 12 1 1 A 56 56 GLU CA C 56 57.019 54.507 2.512 1
1 577 . 12 1 1 A 56 56 GLU HA H 56 4.365 5.235 -0.870 1
1 578 . 12 1 1 A 56 56 GLU CB C 56 30.230 33.365 -3.135 1
1 582 . 12 1 1 A 56 56 GLU C C 56 175.556 175.287 0.269 1
1 585 . 12 1 1 A 57 57 ALA N N 57 128.204 128.866 -0.662 1
1 586 . 12 1 1 A 57 57 ALA H H 57 8.201 8.492 -0.291 1
1 587 . 12 1 1 A 57 57 ALA CA C 57 50.068 50.009 0.059 1
1 588 . 12 1 1 A 57 57 ALA HA H 57 4.827 5.239 -0.412 1
1 589 . 12 1 1 A 57 57 ALA CB C 57 21.531 22.763 -1.232 1
1 593 . 12 1 1 A 57 57 ALA C C 57 175.178 175.033 0.145 1
1 594 . 12 1 1 A 58 58 GLU N N 58 120.950 120.404 0.546 1
1 595 . 12 1 1 A 58 58 GLU H H 58 8.202 8.883 -0.681 1
1 596 . 12 1 1 A 58 58 GLU CA C 58 55.505 55.007 0.498 1
1 597 . 12 1 1 A 58 58 GLU HA H 58 4.509 5.035 -0.526 1
1 598 . 12 1 1 A 58 58 GLU CB C 58 32.301 32.497 -0.196 1
1 602 . 12 1 1 A 58 58 GLU C C 58 175.025 175.447 -0.422 1
1 605 . 12 1 1 A 59 59 ILE N N 59 122.574 127.287 -4.713 1
1 606 . 12 1 1 A 59 59 ILE H H 59 8.578 8.935 -0.357 1
1 607 . 12 1 1 A 59 59 ILE CA C 59 60.355 60.618 -0.263 1
1 608 . 12 1 1 A 59 59 ILE HA H 59 4.954 4.536 0.418 1
1 609 . 12 1 1 A 59 59 ILE CB C 59 38.374 37.157 1.217 1
1 621 . 12 1 1 A 59 59 ILE C C 59 175.709 175.626 0.083 1
1 623 . 12 1 1 A 60 60 VAL N N 60 129.074 127.626 1.448 1
1 624 . 12 1 1 A 60 60 VAL H H 60 9.543 8.302 1.241 1
1 625 . 12 1 1 A 60 60 VAL CA C 60 58.472 61.138 -2.666 1
1 626 . 12 1 1 A 60 60 VAL HA H 60 4.737 4.036 0.701 1
1 627 . 12 1 1 A 60 60 VAL CB C 60 34.522 32.424 2.098 1
1 637 . 12 1 1 A 60 60 VAL C C 60 174.024 174.731 -0.707 1
1 638 . 12 1 1 A 61 61 PRO CA C 61 63.313 62.573 0.740 1
1 639 . 12 1 1 A 61 61 PRO HA H 61 4.611 4.644 -0.033 1
1 640 . 12 1 1 A 61 61 PRO CB C 61 32.270 31.598 0.672 1
1 646 . 12 1 1 A 61 61 PRO C C 61 177.388 177.187 0.201 1
1 650 . 12 1 1 A 62 62 MET N N 62 122.153 121.282 0.871 1
1 651 . 12 1 1 A 62 62 MET H H 62 7.843 8.357 -0.514 1
1 652 . 12 1 1 A 62 62 MET CA C 62 53.470 58.016 -4.546 1
1 653 . 12 1 1 A 62 62 MET HA H 62 4.765 4.274 0.491 1
1 654 . 12 1 1 A 62 62 MET CB C 62 33.144 33.917 -0.773 1
1 662 . 12 1 1 A 62 62 MET C C 62 175.742 176.101 -0.359 1
1 665 . 12 1 1 A 63 63 GLY N N 63 109.196 103.748 5.448 1
1 666 . 12 1 1 A 63 63 GLY H H 63 7.757 7.002 0.755 1
1 667 . 12 1 1 A 63 63 GLY CA C 63 44.092 45.785 -1.693 1
1 668 . 12 1 1 A 63 63 GLY HA3 H 63 4.193 4.022 0.171 1
1 669 . 12 1 1 A 63 63 GLY C C 63 173.451 171.932 1.519 1
1 670 . 12 1 1 A 63 63 GLY HA2 H 63 3.757 4.013 -0.256 1
1 671 . 12 1 1 A 64 64 LYS CA C 64 58.104 56.827 1.277 1
1 672 . 12 1 1 A 64 64 LYS HA H 64 3.994 4.146 -0.152 1
1 673 . 12 1 1 A 64 64 LYS CB C 64 31.766 32.069 -0.303 1
1 681 . 12 1 1 A 64 64 LYS C C 64 177.657 176.780 0.877 1
1 686 . 12 1 1 A 65 65 ASN N N 65 117.648 120.602 -2.954 1
1 687 . 12 1 1 A 65 65 ASN H H 65 8.860 8.960 -0.100 1
1 688 . 12 1 1 A 65 65 ASN CA C 65 54.222 54.237 -0.015 1
1 689 . 12 1 1 A 65 65 ASN HA H 65 4.587 4.244 0.343 1
1 690 . 12 1 1 A 65 65 ASN CB C 65 38.313 37.263 1.050 1
1 695 . 12 1 1 A 65 65 ASN C C 65 173.302 173.679 -0.377 1
1 697 . 12 1 1 A 66 66 SER N N 66 112.701 112.701 0.000 1
1 698 . 12 1 1 A 66 66 SER H H 66 7.367 7.224 0.143 1
1 699 . 12 1 1 A 66 66 SER CA C 66 57.766 56.830 0.936 1
1 700 . 12 1 1 A 66 66 SER HA H 66 5.112 4.871 0.241 1
1 701 . 12 1 1 A 66 66 SER CB C 66 65.000 65.231 -0.231 1
1 703 . 12 1 1 A 66 66 SER C C 66 172.793 172.510 0.283 1
1 705 . 12 1 1 A 67 67 HIS N N 67 124.096 122.660 1.436 1
1 706 . 12 1 1 A 67 67 HIS H H 67 8.735 8.830 -0.095 1
1 707 . 12 1 1 A 67 67 HIS CA C 67 55.123 54.514 0.609 1
1 708 . 12 1 1 A 67 67 HIS HA H 67 4.975 5.079 -0.104 1
1 709 . 12 1 1 A 67 67 HIS CB C 67 34.914 33.852 1.062 1
1 715 . 12 1 1 A 67 67 HIS C C 67 173.884 173.467 0.417 1
1 717 . 12 1 1 A 68 68 CYS N N 68 122.598 120.711 1.887 1
1 718 . 12 1 1 A 68 68 CYS H H 68 9.333 9.008 0.325 1
1 719 . 12 1 1 A 68 68 CYS CA C 68 56.907 57.390 -0.483 1
1 720 . 12 1 1 A 68 68 CYS HA H 68 5.311 4.930 0.381 1
1 721 . 12 1 1 A 68 68 CYS CB C 68 29.314 30.451 -1.137 1
1 723 . 12 1 1 A 68 68 CYS C C 68 173.554 173.007 0.547 1
1 725 . 12 1 1 A 69 69 VAL N N 69 128.613 127.563 1.050 1
1 726 . 12 1 1 A 69 69 VAL H H 69 9.074 8.990 0.084 1
1 727 . 12 1 1 A 69 69 VAL CA C 69 61.632 61.555 0.077 1
1 728 . 12 1 1 A 69 69 VAL HA H 69 4.725 4.668 0.057 1
1 729 . 12 1 1 A 69 69 VAL CB C 69 32.387 32.858 -0.471 1
1 739 . 12 1 1 A 69 69 VAL C C 69 174.230 175.209 -0.979 1
1 740 . 12 1 1 A 70 70 ARG N N 70 128.053 126.161 1.892 1
1 741 . 12 1 1 A 70 70 ARG H H 70 9.052 8.367 0.685 1
1 742 . 12 1 1 A 70 70 ARG CA C 70 54.797 54.687 0.110 1
1 743 . 12 1 1 A 70 70 ARG HA H 70 5.761 4.865 0.896 1
1 744 . 12 1 1 A 70 70 ARG CB C 70 34.395 32.514 1.881 1
1 751 . 12 1 1 A 70 70 ARG C C 70 175.918 175.022 0.896 1
1 755 . 12 1 1 A 71 71 PHE N N 71 122.942 119.647 3.295 1
1 756 . 12 1 1 A 71 71 PHE H H 71 8.702 8.357 0.345 1
1 757 . 12 1 1 A 71 71 PHE CA C 71 55.748 56.179 -0.431 1
1 758 . 12 1 1 A 71 71 PHE HA H 71 4.936 5.108 -0.172 1
1 759 . 12 1 1 A 71 71 PHE CB C 71 41.245 40.881 0.364 1
1 771 . 12 1 1 A 71 71 PHE C C 71 171.709 172.131 -0.422 1
1 773 . 12 1 1 A 72 72 VAL N N 72 122.214 120.448 1.766 1
1 774 . 12 1 1 A 72 72 VAL H H 72 8.512 8.954 -0.442 1
1 775 . 12 1 1 A 72 72 VAL CA C 72 58.398 59.479 -1.081 1
1 776 . 12 1 1 A 72 72 VAL HA H 72 4.752 4.885 -0.133 1
1 777 . 12 1 1 A 72 72 VAL CB C 72 32.747 32.296 0.451 1
1 787 . 12 1 1 A 72 72 VAL C C 72 174.416 175.104 -0.688 1
1 788 . 12 1 1 A 73 73 PRO CA C 73 62.606 62.678 -0.072 1
1 789 . 12 1 1 A 73 73 PRO HA H 73 4.646 5.016 -0.370 1
1 790 . 12 1 1 A 73 73 PRO CB C 73 33.679 29.921 3.758 1
1 796 . 12 1 1 A 73 73 PRO C C 73 176.757 175.748 1.009 1
1 800 . 12 1 1 A 74 74 GLN N N 74 119.992 118.174 1.818 1
1 801 . 12 1 1 A 74 74 GLN H H 74 9.869 8.278 1.591 1
1 802 . 12 1 1 A 74 74 GLN CA C 74 55.156 54.278 0.878 1
1 803 . 12 1 1 A 74 74 GLN HA H 74 4.602 5.317 -0.715 1
1 804 . 12 1 1 A 74 74 GLN CB C 74 31.405 30.458 0.947 1
1 811 . 12 1 1 A 74 74 GLN C C 74 174.987 174.436 0.551 1
1 814 . 12 1 1 A 75 75 GLU N N 75 119.264 123.094 -3.830 1
1 815 . 12 1 1 A 75 75 GLU H H 75 8.009 8.871 -0.862 1
1 816 . 12 1 1 A 75 75 GLU CA C 75 54.138 54.262 -0.124 1
1 817 . 12 1 1 A 75 75 GLU HA H 75 4.657 4.734 -0.077 1
1 818 . 12 1 1 A 75 75 GLU CB C 75 34.046 33.123 0.923 1
1 822 . 12 1 1 A 75 75 GLU C C 75 173.922 176.021 -2.099 1
1 825 . 12 1 1 A 76 76 MET N N 76 117.176 119.227 -2.051 1
1 826 . 12 1 1 A 76 76 MET H H 76 8.450 8.614 -0.164 1
1 827 . 12 1 1 A 76 76 MET CA C 76 55.468 55.720 -0.252 1
1 828 . 12 1 1 A 76 76 MET HA H 76 4.275 4.772 -0.497 1
1 829 . 12 1 1 A 76 76 MET CB C 76 34.487 33.386 1.101 1
1 837 . 12 1 1 A 76 76 MET C C 76 175.964 175.752 0.212 1
1 840 . 12 1 1 A 77 77 GLY N N 77 106.906 106.360 0.546 1
1 841 . 12 1 1 A 77 77 GLY H H 77 9.058 7.615 1.443 1
1 842 . 12 1 1 A 77 77 GLY CA C 77 43.832 46.170 -2.338 1
1 843 . 12 1 1 A 77 77 GLY HA3 H 77 3.944 4.103 -0.159 1
1 844 . 12 1 1 A 77 77 GLY C C 77 176.459 172.042 4.417 1
1 845 . 12 1 1 A 77 77 GLY HA2 H 77 4.787 4.071 0.716 1
1 846 . 12 1 1 A 78 78 VAL N N 78 125.184 122.267 2.917 1
1 847 . 12 1 1 A 78 78 VAL H H 78 9.293 8.251 1.042 1
1 848 . 12 1 1 A 78 78 VAL CA C 78 64.999 62.061 2.938 1
1 849 . 12 1 1 A 78 78 VAL HA H 78 4.178 4.419 -0.241 1
1 850 . 12 1 1 A 78 78 VAL CB C 78 31.558 32.642 -1.084 1
1 860 . 12 1 1 A 78 78 VAL C C 78 175.942 174.951 0.991 1
1 861 . 12 1 1 A 79 79 HIS N N 79 128.345 125.102 3.243 1
1 862 . 12 1 1 A 79 79 HIS H H 79 9.553 8.714 0.839 1
1 863 . 12 1 1 A 79 79 HIS CA C 79 55.063 54.064 0.999 1
1 864 . 12 1 1 A 79 79 HIS HA H 79 4.798 5.609 -0.811 1
1 865 . 12 1 1 A 79 79 HIS CB C 79 31.489 32.114 -0.625 1
1 871 . 12 1 1 A 79 79 HIS C C 79 174.069 174.682 -0.613 1
1 873 . 12 1 1 A 80 80 THR N N 80 114.672 117.071 -2.399 1
1 874 . 12 1 1 A 80 80 THR H H 80 8.452 8.427 0.025 1
1 875 . 12 1 1 A 80 80 THR CA C 80 61.075 61.606 -0.531 1
1 876 . 12 1 1 A 80 80 THR HA H 80 5.213 5.203 0.010 1
1 877 . 12 1 1 A 80 80 THR CB C 80 70.795 71.215 -0.420 1
1 883 . 12 1 1 A 80 80 THR C C 80 173.863 173.223 0.640 1
1 884 . 12 1 1 A 81 81 VAL N N 81 127.546 129.055 -1.509 1
1 885 . 12 1 1 A 81 81 VAL H H 81 9.701 9.120 0.581 1
1 886 . 12 1 1 A 81 81 VAL CA C 81 60.799 61.839 -1.040 1
1 887 . 12 1 1 A 81 81 VAL HA H 81 4.782 4.505 0.277 1
1 888 . 12 1 1 A 81 81 VAL CB C 81 33.635 33.206 0.429 1
1 898 . 12 1 1 A 81 81 VAL C C 81 174.707 175.204 -0.497 1
1 899 . 12 1 1 A 82 82 SER N N 82 123.308 121.387 1.921 1
1 900 . 12 1 1 A 82 82 SER H H 82 9.104 8.892 0.212 1
1 901 . 12 1 1 A 82 82 SER CA C 82 56.981 56.804 0.177 1
1 902 . 12 1 1 A 82 82 SER HA H 82 5.108 5.548 -0.440 1
1 903 . 12 1 1 A 82 82 SER CB C 82 64.728 64.434 0.294 1
1 905 . 12 1 1 A 82 82 SER C C 82 173.688 173.353 0.335 1
1 907 . 12 1 1 A 83 83 VAL N N 83 129.049 126.351 2.698 1
1 908 . 12 1 1 A 83 83 VAL H H 83 9.925 8.756 1.169 1
1 909 . 12 1 1 A 83 83 VAL CA C 83 61.669 61.594 0.075 1
1 910 . 12 1 1 A 83 83 VAL HA H 83 4.897 4.931 -0.034 1
1 911 . 12 1 1 A 83 83 VAL CB C 83 33.590 34.102 -0.512 1
1 921 . 12 1 1 A 83 83 VAL C C 83 174.094 175.349 -1.255 1
1 922 . 12 1 1 A 84 84 LYS N N 84 123.792 126.430 -2.638 1
1 923 . 12 1 1 A 84 84 LYS H H 84 8.768 8.462 0.306 1
1 924 . 12 1 1 A 84 84 LYS CA C 84 54.435 54.385 0.050 1
1 925 . 12 1 1 A 84 84 LYS HA H 84 5.153 5.074 0.079 1
1 926 . 12 1 1 A 84 84 LYS CB C 84 37.608 36.594 1.014 1
1 934 . 12 1 1 A 84 84 LYS C C 84 174.908 174.237 0.671 1
1 939 . 12 1 1 A 85 85 TYR N N 85 120.439 123.728 -3.289 1
1 940 . 12 1 1 A 85 85 TYR H H 85 8.926 9.386 -0.460 1
1 941 . 12 1 1 A 85 85 TYR CA C 85 56.005 57.496 -1.491 1
1 942 . 12 1 1 A 85 85 TYR HA H 85 4.938 4.853 0.085 1
1 943 . 12 1 1 A 85 85 TYR CB C 85 41.386 41.067 0.319 1
1 953 . 12 1 1 A 85 85 TYR C C 85 175.255 174.965 0.290 1
1 955 . 12 1 1 A 86 86 ARG N N 86 127.150 128.505 -1.355 1
1 956 . 12 1 1 A 86 86 ARG H H 86 9.115 9.580 -0.465 1
1 957 . 12 1 1 A 86 86 ARG CA C 86 57.122 56.945 0.177 1
1 958 . 12 1 1 A 86 86 ARG HA H 86 3.659 3.793 -0.134 1
1 959 . 12 1 1 A 86 86 ARG CB C 86 27.563 27.362 0.201 1
1 965 . 12 1 1 A 86 86 ARG C C 86 176.482 176.297 0.185 1
1 969 . 12 1 1 A 87 87 GLY N N 87 102.394 104.782 -2.388 1
1 970 . 12 1 1 A 87 87 GLY H H 87 8.564 8.512 0.052 1
1 971 . 12 1 1 A 87 87 GLY CA C 87 45.388 45.743 -0.355 1
1 972 . 12 1 1 A 87 87 GLY HA3 H 87 4.099 3.820 0.279 1
1 973 . 12 1 1 A 87 87 GLY C C 87 173.631 173.843 -0.212 1
1 974 . 12 1 1 A 87 87 GLY HA2 H 87 3.460 3.807 -0.347 1
1 975 . 12 1 1 A 88 88 GLN N N 88 119.060 118.912 0.148 1
1 976 . 12 1 1 A 88 88 GLN H H 88 7.665 7.799 -0.134 1
1 977 . 12 1 1 A 88 88 GLN CA C 88 53.265 54.243 -0.978 1
1 978 . 12 1 1 A 88 88 GLN HA H 88 4.749 4.758 -0.009 1
1 979 . 12 1 1 A 88 88 GLN CB C 88 31.383 31.459 -0.076 1
1 986 . 12 1 1 A 88 88 GLN C C 88 175.689 174.608 1.081 1
1 989 . 12 1 1 A 89 89 HIS N N 89 123.344 123.613 -0.269 1
1 990 . 12 1 1 A 89 89 HIS H H 89 8.789 8.839 -0.050 1
1 991 . 12 1 1 A 89 89 HIS CA C 89 59.011 57.388 1.623 1
1 992 . 12 1 1 A 89 89 HIS HA H 89 4.546 4.695 -0.149 1
1 993 . 12 1 1 A 89 89 HIS CB C 89 32.365 30.095 2.270 1
1 999 . 12 1 1 A 89 89 HIS C C 89 178.152 175.840 2.312 1
1 1001 . 12 1 1 A 90 90 VAL N N 90 117.749 121.523 -3.774 1
1 1002 . 12 1 1 A 90 90 VAL H H 90 8.436 8.186 0.250 1
1 1003 . 12 1 1 A 90 90 VAL CA C 90 60.473 61.962 -1.489 1
1 1004 . 12 1 1 A 90 90 VAL HA H 90 4.535 4.086 0.449 1
1 1005 . 12 1 1 A 90 90 VAL CB C 90 32.489 33.459 -0.970 1
1 1015 . 12 1 1 A 90 90 VAL C C 90 176.018 175.490 0.528 1
1 1016 . 12 1 1 A 91 91 THR N N 91 118.099 117.313 0.786 1
1 1017 . 12 1 1 A 91 91 THR H H 91 8.491 8.470 0.021 1
1 1018 . 12 1 1 A 91 91 THR CA C 91 65.519 65.217 0.302 1
1 1019 . 12 1 1 A 91 91 THR HA H 91 3.924 3.816 0.108 1
1 1020 . 12 1 1 A 91 91 THR CB C 91 68.972 68.371 0.601 1
1 1026 . 12 1 1 A 91 91 THR C C 91 174.771 176.101 -1.330 1
1 1027 . 12 1 1 A 92 92 GLY N N 92 116.032 114.685 1.347 1
1 1028 . 12 1 1 A 92 92 GLY H H 92 8.563 8.815 -0.252 1
1 1029 . 12 1 1 A 92 92 GLY CA C 92 44.842 46.375 -1.533 1
1 1030 . 12 1 1 A 92 92 GLY HA3 H 92 4.213 3.746 0.467 1
1 1031 . 12 1 1 A 92 92 GLY C C 92 172.199 172.748 -0.549 1
1 1032 . 12 1 1 A 92 92 GLY HA2 H 92 3.361 3.707 -0.346 1
1 1033 . 12 1 1 A 93 93 SER N N 93 113.106 114.531 -1.425 1
1 1034 . 12 1 1 A 93 93 SER H H 93 7.806 7.099 0.707 1
1 1035 . 12 1 1 A 93 93 SER CA C 93 54.600 54.578 0.022 1
1 1036 . 12 1 1 A 93 93 SER HA H 93 4.159 4.320 -0.161 1
1 1037 . 12 1 1 A 93 93 SER CB C 93 62.787 65.861 -3.074 1
1 1039 . 12 1 1 A 93 93 SER C C 93 174.123 171.789 2.334 1
1 1041 . 12 1 1 A 94 94 PRO CA C 94 62.619 62.331 0.288 1
1 1042 . 12 1 1 A 94 94 PRO HA H 94 5.537 4.636 0.901 1
1 1043 . 12 1 1 A 94 94 PRO CB C 94 34.521 32.666 1.855 1
1 1049 . 12 1 1 A 94 94 PRO C C 94 176.046 175.292 0.754 1
1 1053 . 12 1 1 A 95 95 PHE N N 95 120.547 119.285 1.262 1
1 1054 . 12 1 1 A 95 95 PHE H H 95 9.127 8.366 0.761 1
1 1055 . 12 1 1 A 95 95 PHE CA C 95 56.700 57.525 -0.825 1
1 1056 . 12 1 1 A 95 95 PHE HA H 95 4.844 5.093 -0.249 1
1 1057 . 12 1 1 A 95 95 PHE CB C 95 41.285 41.967 -0.682 1
1 1069 . 12 1 1 A 95 95 PHE C C 95 175.219 175.111 0.108 1
1 1071 . 12 1 1 A 96 96 GLN N N 96 120.382 119.753 0.629 1
1 1072 . 12 1 1 A 96 96 GLN H H 96 8.896 8.899 -0.003 1
1 1073 . 12 1 1 A 96 96 GLN CA C 96 55.028 54.623 0.405 1
1 1074 . 12 1 1 A 96 96 GLN HA H 96 5.440 5.313 0.127 1
1 1075 . 12 1 1 A 96 96 GLN CB C 96 31.867 32.484 -0.617 1
1 1082 . 12 1 1 A 96 96 GLN C C 96 175.480 174.712 0.768 1
1 1085 . 12 1 1 A 97 97 PHE N N 97 121.331 119.634 1.697 1
1 1086 . 12 1 1 A 97 97 PHE H H 97 8.822 8.486 0.336 1
1 1087 . 12 1 1 A 97 97 PHE CA C 97 56.931 56.408 0.523 1
1 1088 . 12 1 1 A 97 97 PHE HA H 97 4.960 5.155 -0.195 1
1 1089 . 12 1 1 A 97 97 PHE CB C 97 42.133 41.825 0.308 1
1 1101 . 12 1 1 A 97 97 PHE C C 97 173.780 172.521 1.259 1
1 1103 . 12 1 1 A 98 98 THR N N 98 121.160 117.390 3.770 1
1 1104 . 12 1 1 A 98 98 THR H H 98 8.907 8.868 0.039 1
1 1105 . 12 1 1 A 98 98 THR CA C 98 63.381 62.412 0.969 1
1 1106 . 12 1 1 A 98 98 THR HA H 98 4.487 4.633 -0.146 1
1 1107 . 12 1 1 A 98 98 THR CB C 98 69.599 69.853 -0.254 1
1 1113 . 12 1 1 A 98 98 THR C C 98 173.058 173.350 -0.292 1
1 1114 . 12 1 1 A 99 99 VAL N N 99 128.111 127.338 0.773 1
1 1115 . 12 1 1 A 99 99 VAL H H 99 8.240 8.698 -0.458 1
1 1116 . 12 1 1 A 99 99 VAL CA C 99 61.670 60.096 1.574 1
1 1117 . 12 1 1 A 99 99 VAL HA H 99 4.271 4.860 -0.589 1
1 1118 . 12 1 1 A 99 99 VAL CB C 99 32.962 34.735 -1.773 1
1 1128 . 12 1 1 A 99 99 VAL C C 99 176.689 175.119 1.570 1
1 1129 . 12 1 1 A 100 100 GLY N N 100 118.412 112.340 6.072 1
1 1130 . 12 1 1 A 100 100 GLY H H 100 8.946 8.442 0.504 1
1 1131 . 12 1 1 A 100 100 GLY CA C 100 44.504 44.074 0.430 1
1 1132 . 12 1 1 A 100 100 GLY HA3 H 100 4.506 4.211 0.295 1
1 1133 . 12 1 1 A 100 100 GLY C C 100 170.474 173.197 -2.723 1
1 1134 . 12 1 1 A 100 100 GLY HA2 H 100 4.136 4.209 -0.073 1
1 1135 . 12 1 1 A 101 101 PRO CA C 101 62.588 62.497 0.091 1
1 1136 . 12 1 1 A 101 101 PRO HA H 101 4.525 4.636 -0.111 1
1 1137 . 12 1 1 A 101 101 PRO CB C 101 32.641 32.509 0.132 1
1 1143 . 12 1 1 A 101 101 PRO C C 101 176.696 176.920 -0.224 1
1 1147 . 12 1 1 A 102 102 LEU N N 102 121.326 119.978 1.348 1
1 1148 . 12 1 1 A 102 102 LEU H H 102 8.374 8.420 -0.046 1
1 1149 . 12 1 1 A 102 102 LEU CA C 102 55.855 54.442 1.413 1
1 1150 . 12 1 1 A 102 102 LEU HA H 102 4.221 4.328 -0.107 1
1 1151 . 12 1 1 A 102 102 LEU CB C 102 42.652 42.733 -0.081 1
1 1163 . 12 1 1 A 102 102 LEU C C 102 178.005 176.740 1.265 1
1 1165 . 12 1 1 A 103 103 GLY N N 103 110.870 107.005 3.865 1
1 1166 . 12 1 1 A 103 103 GLY H H 103 8.481 8.572 -0.091 1
1 1167 . 12 1 1 A 103 103 GLY CA C 103 45.208 45.712 -0.504 1
1 1168 . 12 1 1 A 103 103 GLY HA3 H 103 3.927 4.006 -0.079 1
1 1169 . 12 1 1 A 103 103 GLY C C 103 174.126 172.489 1.637 1
1 1170 . 12 1 1 A 103 103 GLY HA2 H 103 3.991 4.005 -0.014 1
1 1171 . 12 1 1 A 104 104 GLU N N 104 120.771 125.113 -4.342 1
1 1172 . 12 1 1 A 104 104 GLU H H 104 8.308 8.598 -0.290 1
1 1173 . 12 1 1 A 104 104 GLU CA C 104 56.713 55.620 1.093 1
1 1174 . 12 1 1 A 104 104 GLU HA H 104 4.318 4.535 -0.217 1
1 1175 . 12 1 1 A 104 104 GLU CB C 104 30.470 29.894 0.576 1
1 1179 . 12 1 1 A 104 104 GLU C C 104 177.052 175.890 1.162 1
1 1182 . 12 1 1 A 105 105 GLY N N 105 110.589 114.592 -4.003 1
1 1183 . 12 1 1 A 105 105 GLY H H 105 8.546 8.767 -0.221 1
1 1184 . 12 1 1 A 105 105 GLY CA C 105 45.256 46.187 -0.931 1
1 1185 . 12 1 1 A 105 105 GLY HA3 H 105 3.925 3.915 0.010 1
1 1186 . 12 1 1 A 105 105 GLY C C 105 173.795 174.355 -0.560 1
1 1187 . 12 1 1 A 105 105 GLY HA2 H 105 3.992 3.915 0.077 1
1 1 . 13 1 1 A 7 7 GLY CA C 7 45.415 46.127 -0.712 1
1 2 . 13 1 1 A 7 7 GLY HA3 H 7 3.972 4.095 -0.123 1
1 3 . 13 1 1 A 7 7 GLY C C 7 174.102 173.589 0.513 1
1 4 . 13 1 1 A 7 7 GLY HA2 H 7 3.972 4.095 -0.123 1
1 5 . 13 1 1 A 8 8 ARG N N 8 120.724 123.061 -2.337 1
1 6 . 13 1 1 A 8 8 ARG H H 8 8.124 8.249 -0.125 1
1 7 . 13 1 1 A 8 8 ARG CA C 8 56.123 56.366 -0.243 1
1 8 . 13 1 1 A 8 8 ARG HA H 8 4.363 4.327 0.036 1
1 9 . 13 1 1 A 8 8 ARG CB C 8 30.881 30.743 0.138 1
1 15 . 13 1 1 A 8 8 ARG C C 8 176.487 175.686 0.801 1
1 19 . 13 1 1 A 9 9 VAL N N 9 121.839 124.921 -3.082 1
1 20 . 13 1 1 A 9 9 VAL H H 9 8.204 8.598 -0.394 1
1 21 . 13 1 1 A 9 9 VAL CA C 9 62.438 61.392 1.046 1
1 22 . 13 1 1 A 9 9 VAL HA H 9 4.081 4.542 -0.461 1
1 23 . 13 1 1 A 9 9 VAL CB C 9 32.773 32.724 0.049 1
1 33 . 13 1 1 A 9 9 VAL C C 9 176.204 175.135 1.069 1
1 34 . 13 1 1 A 10 10 LYS N N 10 125.552 124.419 1.133 1
1 35 . 13 1 1 A 10 10 LYS H H 10 8.437 8.859 -0.422 1
1 36 . 13 1 1 A 10 10 LYS CA C 10 56.575 54.314 2.261 1
1 37 . 13 1 1 A 10 10 LYS HA H 10 4.280 4.921 -0.641 1
1 38 . 13 1 1 A 10 10 LYS CB C 10 33.046 35.651 -2.605 1
1 46 . 13 1 1 A 10 10 LYS C C 10 176.486 175.765 0.721 1
1 51 . 13 1 1 A 11 11 GLU N N 11 122.741 120.188 2.553 1
1 52 . 13 1 1 A 11 11 GLU H H 11 8.490 8.820 -0.330 1
1 53 . 13 1 1 A 11 11 GLU CA C 11 56.717 58.029 -1.312 1
1 54 . 13 1 1 A 11 11 GLU HA H 11 4.303 4.478 -0.175 1
1 55 . 13 1 1 A 11 11 GLU CB C 11 30.422 32.095 -1.673 1
1 59 . 13 1 1 A 11 11 GLU C C 11 176.428 176.495 -0.067 1
1 62 . 13 1 1 A 12 12 SER N N 12 117.227 115.147 2.080 1
1 63 . 13 1 1 A 12 12 SER H H 12 8.434 7.929 0.505 1
1 64 . 13 1 1 A 12 12 SER CA C 12 58.340 60.454 -2.114 1
1 65 . 13 1 1 A 12 12 SER HA H 12 4.477 4.325 0.152 1
1 66 . 13 1 1 A 12 12 SER CB C 12 63.670 63.702 -0.032 1
1 68 . 13 1 1 A 12 12 SER C C 12 174.574 174.377 0.197 1
1 70 . 13 1 1 A 13 13 ILE N N 13 122.704 127.479 -4.775 1
1 71 . 13 1 1 A 13 13 ILE H H 13 8.189 8.546 -0.357 1
1 72 . 13 1 1 A 13 13 ILE CA C 13 61.364 60.912 0.452 1
1 73 . 13 1 1 A 13 13 ILE HA H 13 4.270 4.514 -0.244 1
1 74 . 13 1 1 A 13 13 ILE CB C 13 38.870 39.592 -0.722 1
1 86 . 13 1 1 A 13 13 ILE C C 13 176.445 174.591 1.854 1
1 88 . 13 1 1 A 14 14 THR N N 14 118.671 123.336 -4.665 1
1 89 . 13 1 1 A 14 14 THR H H 14 8.265 8.834 -0.569 1
1 90 . 13 1 1 A 14 14 THR CA C 14 62.080 59.872 2.208 1
1 91 . 13 1 1 A 14 14 THR HA H 14 4.338 5.126 -0.788 1
1 92 . 13 1 1 A 14 14 THR CB C 14 69.779 71.680 -1.901 1
1 98 . 13 1 1 A 14 14 THR C C 14 174.465 173.445 1.020 1
1 99 . 13 1 1 A 15 15 ARG N N 15 124.132 127.512 -3.380 1
1 100 . 13 1 1 A 15 15 ARG H H 15 8.428 8.849 -0.421 1
1 101 . 13 1 1 A 15 15 ARG CA C 15 56.221 54.098 2.123 1
1 102 . 13 1 1 A 15 15 ARG HA H 15 4.447 5.009 -0.562 1
1 103 . 13 1 1 A 15 15 ARG CB C 15 30.949 33.978 -3.029 1
1 109 . 13 1 1 A 15 15 ARG C C 15 176.374 175.491 0.883 1
1 113 . 13 1 1 A 16 16 THR N N 16 115.339 114.394 0.945 1
1 114 . 13 1 1 A 16 16 THR H H 16 8.232 8.534 -0.302 1
1 115 . 13 1 1 A 16 16 THR CA C 16 61.828 61.030 0.798 1
1 116 . 13 1 1 A 16 16 THR HA H 16 4.389 4.902 -0.513 1
1 117 . 13 1 1 A 16 16 THR CB C 16 69.896 70.072 -0.176 1
1 123 . 13 1 1 A 16 16 THR C C 16 174.518 174.048 0.470 1
1 124 . 13 1 1 A 17 17 SER N N 17 118.278 119.790 -1.512 1
1 125 . 13 1 1 A 17 17 SER H H 17 8.331 9.009 -0.678 1
1 126 . 13 1 1 A 17 17 SER CA C 17 58.326 57.736 0.590 1
1 127 . 13 1 1 A 17 17 SER HA H 17 4.500 4.989 -0.489 1
1 128 . 13 1 1 A 17 17 SER CB C 17 63.918 66.281 -2.363 1
1 130 . 13 1 1 A 17 17 SER C C 17 174.172 173.043 1.129 1
1 132 . 13 1 1 A 18 18 ARG N N 18 122.935 127.025 -4.090 1
1 133 . 13 1 1 A 18 18 ARG H H 18 8.376 8.491 -0.115 1
1 134 . 13 1 1 A 18 18 ARG CA C 18 55.772 57.037 -1.265 1
1 135 . 13 1 1 A 18 18 ARG HA H 18 4.386 4.271 0.115 1
1 136 . 13 1 1 A 18 18 ARG CB C 18 31.073 30.674 0.399 1
1 142 . 13 1 1 A 18 18 ARG C C 18 175.493 176.128 -0.635 1
1 146 . 13 1 1 A 19 19 ALA N N 19 126.804 128.408 -1.604 1
1 147 . 13 1 1 A 19 19 ALA H H 19 8.357 8.520 -0.163 1
1 148 . 13 1 1 A 19 19 ALA CA C 19 50.553 50.847 -0.294 1
1 149 . 13 1 1 A 19 19 ALA HA H 19 4.585 4.547 0.038 1
1 150 . 13 1 1 A 19 19 ALA CB C 19 18.208 17.834 0.374 1
1 154 . 13 1 1 A 19 19 ALA C C 19 175.408 176.259 -0.851 1
1 155 . 13 1 1 A 20 20 PRO CA C 20 63.352 62.550 0.802 1
1 156 . 13 1 1 A 20 20 PRO HA H 20 4.455 4.784 -0.329 1
1 157 . 13 1 1 A 20 20 PRO CB C 20 32.196 30.746 1.450 1
1 163 . 13 1 1 A 20 20 PRO C C 20 176.846 175.818 1.028 1
1 167 . 13 1 1 A 21 21 SER N N 21 116.414 119.709 -3.295 1
1 168 . 13 1 1 A 21 21 SER H H 21 8.449 8.841 -0.392 1
1 169 . 13 1 1 A 21 21 SER CA C 21 58.507 57.745 0.762 1
1 170 . 13 1 1 A 21 21 SER HA H 21 4.475 4.899 -0.424 1
1 171 . 13 1 1 A 21 21 SER CB C 21 63.851 64.502 -0.651 1
1 173 . 13 1 1 A 21 21 SER C C 21 174.344 174.258 0.086 1
1 175 . 13 1 1 A 22 22 VAL N N 22 120.580 123.274 -2.694 1
1 176 . 13 1 1 A 22 22 VAL H H 22 8.110 8.536 -0.426 1
1 177 . 13 1 1 A 22 22 VAL CA C 22 61.788 61.551 0.237 1
1 178 . 13 1 1 A 22 22 VAL HA H 22 4.293 4.364 -0.071 1
1 179 . 13 1 1 A 22 22 VAL CB C 22 33.445 32.879 0.566 1
1 189 . 13 1 1 A 22 22 VAL C C 22 175.160 175.563 -0.403 1
1 190 . 13 1 1 A 23 23 ALA N N 23 127.788 125.717 2.071 1
1 191 . 13 1 1 A 23 23 ALA H H 23 8.428 8.791 -0.363 1
1 192 . 13 1 1 A 23 23 ALA CA C 23 51.790 51.651 0.139 1
1 193 . 13 1 1 A 23 23 ALA HA H 23 4.594 4.961 -0.367 1
1 194 . 13 1 1 A 23 23 ALA CB C 23 21.050 23.953 -2.903 1
1 198 . 13 1 1 A 23 23 ALA C C 23 176.198 175.452 0.746 1
1 199 . 13 1 1 A 24 24 THR N N 24 115.139 113.499 1.640 1
1 200 . 13 1 1 A 24 24 THR H H 24 8.338 8.623 -0.285 1
1 201 . 13 1 1 A 24 24 THR CA C 24 60.519 59.887 0.632 1
1 202 . 13 1 1 A 24 24 THR HA H 24 4.674 5.018 -0.344 1
1 203 . 13 1 1 A 24 24 THR CB C 24 72.048 71.535 0.513 1
1 209 . 13 1 1 A 24 24 THR C C 24 173.979 172.042 1.937 1
1 210 . 13 1 1 A 25 25 VAL N N 25 122.772 123.026 -0.254 1
1 211 . 13 1 1 A 25 25 VAL H H 25 8.002 8.024 -0.022 1
1 212 . 13 1 1 A 25 25 VAL CA C 25 64.582 61.008 3.574 1
1 213 . 13 1 1 A 25 25 VAL HA H 25 3.280 4.557 -1.277 1
1 214 . 13 1 1 A 25 25 VAL CB C 25 32.102 33.494 -1.392 1
1 224 . 13 1 1 A 25 25 VAL C C 25 176.709 176.370 0.339 1
1 225 . 13 1 1 A 26 26 GLY N N 26 112.345 116.450 -4.105 1
1 226 . 13 1 1 A 26 26 GLY H H 26 8.344 9.037 -0.693 1
1 227 . 13 1 1 A 26 26 GLY CA C 26 45.534 46.646 -1.112 1
1 228 . 13 1 1 A 26 26 GLY HA3 H 26 4.166 3.910 0.256 1
1 229 . 13 1 1 A 26 26 GLY C C 26 173.701 173.635 0.066 1
1 230 . 13 1 1 A 26 26 GLY HA2 H 26 3.519 3.898 -0.379 1
1 231 . 13 1 1 A 27 27 SER N N 27 116.474 113.806 2.668 1
1 232 . 13 1 1 A 27 27 SER H H 27 7.738 7.678 0.060 1
1 233 . 13 1 1 A 27 27 SER CA C 27 57.264 57.453 -0.189 1
1 234 . 13 1 1 A 27 27 SER HA H 27 4.692 4.997 -0.305 1
1 235 . 13 1 1 A 27 27 SER CB C 27 65.270 67.001 -1.731 1
1 237 . 13 1 1 A 27 27 SER C C 27 172.491 173.128 -0.637 1
1 239 . 13 1 1 A 28 28 ILE N N 28 122.052 126.248 -4.196 1
1 240 . 13 1 1 A 28 28 ILE H H 28 8.350 8.682 -0.332 1
1 241 . 13 1 1 A 28 28 ILE CA C 28 62.995 62.243 0.752 1
1 242 . 13 1 1 A 28 28 ILE HA H 28 3.693 3.952 -0.259 1
1 243 . 13 1 1 A 28 28 ILE CB C 28 38.221 37.005 1.216 1
1 255 . 13 1 1 A 28 28 ILE C C 28 175.624 175.444 0.180 1
1 257 . 13 1 1 A 29 29 CYS N N 29 129.493 127.421 2.072 1
1 258 . 13 1 1 A 29 29 CYS H H 29 8.730 8.793 -0.063 1
1 259 . 13 1 1 A 29 29 CYS CA C 29 58.201 57.439 0.762 1
1 260 . 13 1 1 A 29 29 CYS HA H 29 4.451 4.787 -0.336 1
1 261 . 13 1 1 A 29 29 CYS CB C 29 28.560 28.788 -0.228 1
1 263 . 13 1 1 A 29 29 CYS C C 29 171.207 172.673 -1.466 1
1 265 . 13 1 1 A 30 30 ASP N N 30 123.789 127.150 -3.361 1
1 266 . 13 1 1 A 30 30 ASP H H 30 8.000 8.706 -0.706 1
1 267 . 13 1 1 A 30 30 ASP CA C 30 52.692 53.579 -0.887 1
1 268 . 13 1 1 A 30 30 ASP HA H 30 5.315 5.005 0.310 1
1 269 . 13 1 1 A 30 30 ASP CB C 30 43.397 41.516 1.881 1
1 271 . 13 1 1 A 30 30 ASP C C 30 175.569 174.342 1.227 1
1 273 . 13 1 1 A 31 31 LEU N N 31 125.116 126.955 -1.839 1
1 274 . 13 1 1 A 31 31 LEU H H 31 9.147 9.064 0.083 1
1 275 . 13 1 1 A 31 31 LEU CA C 31 53.606 53.798 -0.192 1
1 276 . 13 1 1 A 31 31 LEU HA H 31 4.515 4.689 -0.174 1
1 277 . 13 1 1 A 31 31 LEU CB C 31 43.262 43.437 -0.175 1
1 289 . 13 1 1 A 31 31 LEU C C 31 174.935 175.519 -0.584 1
1 291 . 13 1 1 A 32 32 ASN N N 32 124.687 124.762 -0.075 1
1 292 . 13 1 1 A 32 32 ASN H H 32 8.690 8.589 0.101 1
1 293 . 13 1 1 A 32 32 ASN CA C 32 53.696 52.997 0.699 1
1 294 . 13 1 1 A 32 32 ASN HA H 32 5.077 4.930 0.147 1
1 295 . 13 1 1 A 32 32 ASN CB C 32 39.842 38.989 0.853 1
1 300 . 13 1 1 A 32 32 ASN C C 32 174.322 175.081 -0.759 1
1 302 . 13 1 1 A 33 33 LEU N N 33 123.838 124.208 -0.370 1
1 303 . 13 1 1 A 33 33 LEU H H 33 8.912 8.462 0.450 1
1 304 . 13 1 1 A 33 33 LEU CA C 33 53.820 53.249 0.571 1
1 305 . 13 1 1 A 33 33 LEU HA H 33 4.638 4.928 -0.290 1
1 306 . 13 1 1 A 33 33 LEU CB C 33 45.587 46.288 -0.701 1
1 318 . 13 1 1 A 33 33 LEU C C 33 175.719 175.725 -0.006 1
1 320 . 13 1 1 A 34 34 LYS N N 34 124.925 124.074 0.851 1
1 321 . 13 1 1 A 34 34 LYS H H 34 8.718 8.563 0.155 1
1 322 . 13 1 1 A 34 34 LYS CA C 34 55.079 55.634 -0.555 1
1 323 . 13 1 1 A 34 34 LYS HA H 34 5.036 4.444 0.592 1
1 324 . 13 1 1 A 34 34 LYS CB C 34 32.121 31.214 0.907 1
1 332 . 13 1 1 A 34 34 LYS C C 34 176.081 175.267 0.814 1
1 337 . 13 1 1 A 35 35 ILE N N 35 123.769 126.148 -2.379 1
1 338 . 13 1 1 A 35 35 ILE H H 35 7.935 8.280 -0.345 1
1 339 . 13 1 1 A 35 35 ILE CA C 35 58.161 57.983 0.178 1
1 340 . 13 1 1 A 35 35 ILE HA H 35 4.612 4.563 0.049 1
1 341 . 13 1 1 A 35 35 ILE CB C 35 40.616 37.755 2.861 1
1 353 . 13 1 1 A 35 35 ILE C C 35 173.405 174.567 -1.162 1
1 355 . 13 1 1 A 36 36 PRO CA C 36 63.143 62.323 0.820 1
1 356 . 13 1 1 A 36 36 PRO HA H 36 4.435 4.596 -0.161 1
1 357 . 13 1 1 A 36 36 PRO CB C 36 32.806 33.293 -0.487 1
1 363 . 13 1 1 A 36 36 PRO C C 36 176.844 177.061 -0.217 1
1 367 . 13 1 1 A 37 37 GLU N N 37 114.188 119.956 -5.768 1
1 368 . 13 1 1 A 37 37 GLU H H 37 8.358 8.722 -0.364 1
1 369 . 13 1 1 A 37 37 GLU CA C 37 59.038 59.681 -0.643 1
1 370 . 13 1 1 A 37 37 GLU HA H 37 3.916 3.991 -0.075 1
1 371 . 13 1 1 A 37 37 GLU CB C 37 28.206 29.317 -1.111 1
1 375 . 13 1 1 A 37 37 GLU C C 37 175.996 177.685 -1.689 1
1 378 . 13 1 1 A 38 38 ILE N N 38 118.733 122.434 -3.701 1
1 379 . 13 1 1 A 38 38 ILE H H 38 7.679 7.501 0.178 1
1 380 . 13 1 1 A 38 38 ILE CA C 38 60.711 62.294 -1.583 1
1 381 . 13 1 1 A 38 38 ILE HA H 38 4.029 3.975 0.054 1
1 382 . 13 1 1 A 38 38 ILE CB C 38 40.278 37.986 2.292 1
1 394 . 13 1 1 A 38 38 ILE C C 38 175.255 176.408 -1.153 1
1 396 . 13 1 1 A 39 39 ASN H H 39 8.593 8.738 -0.145 1
1 397 . 13 1 1 A 39 39 ASN CA C 39 52.929 53.332 -0.403 1
1 398 . 13 1 1 A 39 39 ASN HA H 39 4.921 5.001 -0.080 1
1 399 . 13 1 1 A 39 39 ASN CB C 39 39.419 39.634 -0.215 1
1 404 . 13 1 1 A 39 39 ASN C C 39 176.891 176.278 0.613 1
1 406 . 13 1 1 A 40 40 SER N N 40 120.676 118.461 2.215 1
1 407 . 13 1 1 A 40 40 SER H H 40 8.995 8.941 0.054 1
1 408 . 13 1 1 A 40 40 SER CA C 40 62.318 61.019 1.299 1
1 409 . 13 1 1 A 40 40 SER HA H 40 4.058 4.350 -0.292 1
1 410 . 13 1 1 A 40 40 SER CB C 40 63.297 63.532 -0.235 1
1 412 . 13 1 1 A 40 40 SER C C 40 176.866 176.872 -0.006 1
1 414 . 13 1 1 A 41 41 SER N N 41 112.249 117.059 -4.810 1
1 415 . 13 1 1 A 41 41 SER H H 41 8.253 8.207 0.046 1
1 416 . 13 1 1 A 41 41 SER CA C 41 60.133 61.362 -1.229 1
1 417 . 13 1 1 A 41 41 SER HA H 41 4.348 4.319 0.029 1
1 418 . 13 1 1 A 41 41 SER CB C 41 62.986 63.111 -0.125 1
1 420 . 13 1 1 A 41 41 SER C C 41 174.885 174.898 -0.013 1
1 422 . 13 1 1 A 42 42 ASP N N 42 119.471 118.884 0.587 1
1 423 . 13 1 1 A 42 42 ASP H H 42 7.835 7.906 -0.071 1
1 424 . 13 1 1 A 42 42 ASP CA C 42 54.713 54.994 -0.281 1
1 425 . 13 1 1 A 42 42 ASP HA H 42 4.933 4.678 0.255 1
1 426 . 13 1 1 A 42 42 ASP CB C 42 42.479 42.933 -0.454 1
1 428 . 13 1 1 A 42 42 ASP C C 42 175.586 175.856 -0.270 1
1 430 . 13 1 1 A 43 43 MET N N 43 119.155 118.877 0.278 1
1 431 . 13 1 1 A 43 43 MET H H 43 7.549 7.905 -0.356 1
1 432 . 13 1 1 A 43 43 MET CA C 43 54.927 55.143 -0.216 1
1 433 . 13 1 1 A 43 43 MET HA H 43 5.359 4.735 0.624 1
1 434 . 13 1 1 A 43 43 MET CB C 43 37.158 34.298 2.860 1
1 442 . 13 1 1 A 43 43 MET C C 43 174.894 174.990 -0.096 1
1 445 . 13 1 1 A 44 44 SER N N 44 114.070 113.070 1.000 1
1 446 . 13 1 1 A 44 44 SER H H 44 8.739 8.437 0.302 1
1 447 . 13 1 1 A 44 44 SER CA C 44 56.937 57.883 -0.946 1
1 448 . 13 1 1 A 44 44 SER HA H 44 4.700 5.330 -0.630 1
1 449 . 13 1 1 A 44 44 SER CB C 44 66.247 65.782 0.465 1
1 451 . 13 1 1 A 44 44 SER C C 44 172.764 172.832 -0.068 1
1 453 . 13 1 1 A 45 45 ALA N N 45 126.192 128.508 -2.316 1
1 454 . 13 1 1 A 45 45 ALA H H 45 9.123 9.035 0.088 1
1 455 . 13 1 1 A 45 45 ALA CA C 45 50.378 50.209 0.169 1
1 456 . 13 1 1 A 45 45 ALA HA H 45 5.741 5.446 0.295 1
1 457 . 13 1 1 A 45 45 ALA CB C 45 23.330 21.402 1.928 1
1 461 . 13 1 1 A 45 45 ALA C C 45 175.089 176.435 -1.346 1
1 462 . 13 1 1 A 46 46 HIS N N 46 119.075 119.015 0.060 1
1 463 . 13 1 1 A 46 46 HIS H H 46 8.701 9.140 -0.439 1
1 464 . 13 1 1 A 46 46 HIS CA C 46 55.999 54.759 1.240 1
1 465 . 13 1 1 A 46 46 HIS HA H 46 5.157 4.890 0.267 1
1 466 . 13 1 1 A 46 46 HIS CB C 46 34.239 33.662 0.577 1
1 472 . 13 1 1 A 46 46 HIS C C 46 174.155 174.027 0.128 1
1 474 . 13 1 1 A 47 47 VAL N N 47 125.059 123.281 1.778 1
1 475 . 13 1 1 A 47 47 VAL H H 47 9.488 8.867 0.621 1
1 476 . 13 1 1 A 47 47 VAL CA C 47 60.604 61.760 -1.156 1
1 477 . 13 1 1 A 47 47 VAL HA H 47 4.730 4.446 0.284 1
1 478 . 13 1 1 A 47 47 VAL CB C 47 33.769 32.246 1.523 1
1 488 . 13 1 1 A 47 47 VAL C C 47 175.126 175.521 -0.395 1
1 489 . 13 1 1 A 48 48 THR N N 48 124.473 123.630 0.843 1
1 490 . 13 1 1 A 48 48 THR H H 48 9.432 9.132 0.300 1
1 491 . 13 1 1 A 48 48 THR CA C 48 61.766 61.973 -0.207 1
1 492 . 13 1 1 A 48 48 THR HA H 48 5.164 4.529 0.635 1
1 493 . 13 1 1 A 48 48 THR CB C 48 69.384 69.853 -0.469 1
1 499 . 13 1 1 A 48 48 THR C C 48 174.573 174.035 0.538 1
1 500 . 13 1 1 A 49 49 SER N N 49 125.657 119.148 6.509 1
1 501 . 13 1 1 A 49 49 SER H H 49 9.043 8.983 0.060 1
1 502 . 13 1 1 A 49 49 SER CA C 49 56.638 55.801 0.837 1
1 503 . 13 1 1 A 49 49 SER HA H 49 4.225 4.792 -0.567 1
1 504 . 13 1 1 A 49 49 SER CB C 49 62.948 64.323 -1.375 1
1 506 . 13 1 1 A 49 49 SER C C 49 174.034 174.291 -0.257 1
1 508 . 13 1 1 A 50 50 PRO CA C 50 65.784 64.078 1.706 1
1 509 . 13 1 1 A 50 50 PRO HA H 50 4.260 4.474 -0.214 1
1 510 . 13 1 1 A 50 50 PRO CB C 50 31.493 31.578 -0.085 1
1 516 . 13 1 1 A 50 50 PRO C C 50 177.687 176.930 0.757 1
1 520 . 13 1 1 A 51 51 SER N N 51 110.322 111.362 -1.040 1
1 521 . 13 1 1 A 51 51 SER H H 51 8.349 7.716 0.633 1
1 522 . 13 1 1 A 51 51 SER CA C 51 59.076 58.438 0.638 1
1 523 . 13 1 1 A 51 51 SER HA H 51 4.332 4.568 -0.236 1
1 524 . 13 1 1 A 51 51 SER CB C 51 62.825 65.448 -2.623 1
1 526 . 13 1 1 A 51 51 SER C C 51 175.363 175.075 0.288 1
1 528 . 13 1 1 A 52 52 GLY N N 52 111.132 109.537 1.595 1
1 529 . 13 1 1 A 52 52 GLY H H 52 8.289 7.761 0.528 1
1 530 . 13 1 1 A 52 52 GLY CA C 52 44.831 45.360 -0.529 1
1 531 . 13 1 1 A 52 52 GLY HA3 H 52 4.302 4.017 0.285 1
1 532 . 13 1 1 A 52 52 GLY C C 52 174.002 174.759 -0.757 1
1 533 . 13 1 1 A 52 52 GLY HA2 H 52 3.421 4.017 -0.596 1
1 534 . 13 1 1 A 53 53 ARG N N 53 121.515 120.981 0.534 1
1 535 . 13 1 1 A 53 53 ARG H H 53 7.322 7.811 -0.489 1
1 536 . 13 1 1 A 53 53 ARG CA C 53 56.749 56.998 -0.249 1
1 537 . 13 1 1 A 53 53 ARG HA H 53 4.222 4.283 -0.061 1
1 538 . 13 1 1 A 53 53 ARG CB C 53 30.430 31.547 -1.117 1
1 544 . 13 1 1 A 53 53 ARG C C 53 176.023 174.828 1.195 1
1 548 . 13 1 1 A 54 54 VAL N N 54 128.383 122.983 5.400 1
1 549 . 13 1 1 A 54 54 VAL H H 54 8.780 8.622 0.158 1
1 550 . 13 1 1 A 54 54 VAL CA C 54 61.533 60.981 0.552 1
1 551 . 13 1 1 A 54 54 VAL HA H 54 5.243 4.919 0.324 1
1 552 . 13 1 1 A 54 54 VAL CB C 54 33.205 35.617 -2.412 1
1 562 . 13 1 1 A 54 54 VAL C C 54 176.783 174.814 1.969 1
1 563 . 13 1 1 A 55 55 THR N N 55 121.757 122.925 -1.168 1
1 564 . 13 1 1 A 55 55 THR H H 55 9.188 9.179 0.009 1
1 565 . 13 1 1 A 55 55 THR CA C 55 60.216 60.443 -0.227 1
1 566 . 13 1 1 A 55 55 THR HA H 55 4.751 4.978 -0.227 1
1 567 . 13 1 1 A 55 55 THR CB C 55 71.896 72.700 -0.804 1
1 573 . 13 1 1 A 55 55 THR C C 55 173.454 172.762 0.692 1
1 574 . 13 1 1 A 56 56 GLU N N 56 125.373 123.781 1.592 1
1 575 . 13 1 1 A 56 56 GLU H H 56 8.927 8.817 0.110 1
1 576 . 13 1 1 A 56 56 GLU CA C 56 57.019 54.680 2.339 1
1 577 . 13 1 1 A 56 56 GLU HA H 56 4.365 4.642 -0.277 1
1 578 . 13 1 1 A 56 56 GLU CB C 56 30.230 32.343 -2.113 1
1 582 . 13 1 1 A 56 56 GLU C C 56 175.556 175.529 0.027 1
1 585 . 13 1 1 A 57 57 ALA N N 57 128.204 129.572 -1.368 1
1 586 . 13 1 1 A 57 57 ALA H H 57 8.201 9.016 -0.815 1
1 587 . 13 1 1 A 57 57 ALA CA C 57 50.068 50.209 -0.141 1
1 588 . 13 1 1 A 57 57 ALA HA H 57 4.827 5.155 -0.328 1
1 589 . 13 1 1 A 57 57 ALA CB C 57 21.531 22.232 -0.701 1
1 593 . 13 1 1 A 57 57 ALA C C 57 175.178 175.352 -0.174 1
1 594 . 13 1 1 A 58 58 GLU N N 58 120.950 120.478 0.472 1
1 595 . 13 1 1 A 58 58 GLU H H 58 8.202 8.893 -0.691 1
1 596 . 13 1 1 A 58 58 GLU CA C 58 55.505 55.250 0.255 1
1 597 . 13 1 1 A 58 58 GLU HA H 58 4.509 5.074 -0.565 1
1 598 . 13 1 1 A 58 58 GLU CB C 58 32.301 32.501 -0.200 1
1 602 . 13 1 1 A 58 58 GLU C C 58 175.025 175.085 -0.060 1
1 605 . 13 1 1 A 59 59 ILE N N 59 122.574 125.942 -3.368 1
1 606 . 13 1 1 A 59 59 ILE H H 59 8.578 8.796 -0.218 1
1 607 . 13 1 1 A 59 59 ILE CA C 59 60.355 60.062 0.293 1
1 608 . 13 1 1 A 59 59 ILE HA H 59 4.954 4.832 0.122 1
1 609 . 13 1 1 A 59 59 ILE CB C 59 38.374 40.242 -1.868 1
1 621 . 13 1 1 A 59 59 ILE C C 59 175.709 174.620 1.089 1
1 623 . 13 1 1 A 60 60 VAL N N 60 129.074 127.658 1.416 1
1 624 . 13 1 1 A 60 60 VAL H H 60 9.543 9.226 0.317 1
1 625 . 13 1 1 A 60 60 VAL CA C 60 58.472 58.707 -0.235 1
1 626 . 13 1 1 A 60 60 VAL HA H 60 4.737 4.540 0.197 1
1 627 . 13 1 1 A 60 60 VAL CB C 60 34.522 33.326 1.196 1
1 637 . 13 1 1 A 60 60 VAL C C 60 174.024 174.884 -0.860 1
1 638 . 13 1 1 A 61 61 PRO CA C 61 63.313 62.052 1.261 1
1 639 . 13 1 1 A 61 61 PRO HA H 61 4.611 4.473 0.138 1
1 640 . 13 1 1 A 61 61 PRO CB C 61 32.270 29.121 3.149 1
1 646 . 13 1 1 A 61 61 PRO C C 61 177.388 177.097 0.291 1
1 650 . 13 1 1 A 62 62 MET N N 62 122.153 122.534 -0.381 1
1 651 . 13 1 1 A 62 62 MET H H 62 7.843 8.562 -0.719 1
1 652 . 13 1 1 A 62 62 MET CA C 62 53.470 58.822 -5.352 1
1 653 . 13 1 1 A 62 62 MET HA H 62 4.765 4.101 0.664 1
1 654 . 13 1 1 A 62 62 MET CB C 62 33.144 33.209 -0.065 1
1 662 . 13 1 1 A 62 62 MET C C 62 175.742 176.449 -0.707 1
1 665 . 13 1 1 A 63 63 GLY N N 63 109.196 103.406 5.790 1
1 666 . 13 1 1 A 63 63 GLY H H 63 7.757 6.958 0.799 1
1 667 . 13 1 1 A 63 63 GLY CA C 63 44.092 45.921 -1.829 1
1 668 . 13 1 1 A 63 63 GLY HA3 H 63 4.193 4.037 0.156 1
1 669 . 13 1 1 A 63 63 GLY C C 63 173.451 172.155 1.296 1
1 670 . 13 1 1 A 63 63 GLY HA2 H 63 3.757 4.024 -0.267 1
1 671 . 13 1 1 A 64 64 LYS CA C 64 58.104 57.190 0.914 1
1 672 . 13 1 1 A 64 64 LYS HA H 64 3.994 4.024 -0.030 1
1 673 . 13 1 1 A 64 64 LYS CB C 64 31.766 32.011 -0.245 1
1 681 . 13 1 1 A 64 64 LYS C C 64 177.657 177.353 0.304 1
1 686 . 13 1 1 A 65 65 ASN N N 65 117.648 123.884 -6.236 1
1 687 . 13 1 1 A 65 65 ASN H H 65 8.860 8.840 0.020 1
1 688 . 13 1 1 A 65 65 ASN CA C 65 54.222 54.001 0.221 1
1 689 . 13 1 1 A 65 65 ASN HA H 65 4.587 4.459 0.128 1
1 690 . 13 1 1 A 65 65 ASN CB C 65 38.313 36.294 2.019 1
1 695 . 13 1 1 A 65 65 ASN C C 65 173.302 174.596 -1.294 1
1 697 . 13 1 1 A 66 66 SER N N 66 112.701 115.285 -2.584 1
1 698 . 13 1 1 A 66 66 SER H H 66 7.367 7.545 -0.178 1
1 699 . 13 1 1 A 66 66 SER CA C 66 57.766 56.312 1.454 1
1 700 . 13 1 1 A 66 66 SER HA H 66 5.112 5.054 0.058 1
1 701 . 13 1 1 A 66 66 SER CB C 66 65.000 65.758 -0.758 1
1 703 . 13 1 1 A 66 66 SER C C 66 172.793 172.971 -0.178 1
1 705 . 13 1 1 A 67 67 HIS N N 67 124.096 122.204 1.892 1
1 706 . 13 1 1 A 67 67 HIS H H 67 8.735 8.417 0.318 1
1 707 . 13 1 1 A 67 67 HIS CA C 67 55.123 54.696 0.427 1
1 708 . 13 1 1 A 67 67 HIS HA H 67 4.975 5.061 -0.086 1
1 709 . 13 1 1 A 67 67 HIS CB C 67 34.914 33.722 1.192 1
1 715 . 13 1 1 A 67 67 HIS C C 67 173.884 173.508 0.376 1
1 717 . 13 1 1 A 68 68 CYS N N 68 122.598 121.571 1.027 1
1 718 . 13 1 1 A 68 68 CYS H H 68 9.333 8.708 0.625 1
1 719 . 13 1 1 A 68 68 CYS CA C 68 56.907 57.214 -0.307 1
1 720 . 13 1 1 A 68 68 CYS HA H 68 5.311 4.989 0.322 1
1 721 . 13 1 1 A 68 68 CYS CB C 68 29.314 30.638 -1.324 1
1 723 . 13 1 1 A 68 68 CYS C C 68 173.554 172.967 0.587 1
1 725 . 13 1 1 A 69 69 VAL N N 69 128.613 127.562 1.051 1
1 726 . 13 1 1 A 69 69 VAL H H 69 9.074 8.857 0.217 1
1 727 . 13 1 1 A 69 69 VAL CA C 69 61.632 61.498 0.134 1
1 728 . 13 1 1 A 69 69 VAL HA H 69 4.725 4.969 -0.244 1
1 729 . 13 1 1 A 69 69 VAL CB C 69 32.387 33.040 -0.653 1
1 739 . 13 1 1 A 69 69 VAL C C 69 174.230 175.041 -0.811 1
1 740 . 13 1 1 A 70 70 ARG N N 70 128.053 126.105 1.948 1
1 741 . 13 1 1 A 70 70 ARG H H 70 9.052 8.521 0.531 1
1 742 . 13 1 1 A 70 70 ARG CA C 70 54.797 54.727 0.070 1
1 743 . 13 1 1 A 70 70 ARG HA H 70 5.761 5.010 0.751 1
1 744 . 13 1 1 A 70 70 ARG CB C 70 34.395 32.157 2.238 1
1 751 . 13 1 1 A 70 70 ARG C C 70 175.918 174.983 0.935 1
1 755 . 13 1 1 A 71 71 PHE N N 71 122.942 117.116 5.826 1
1 756 . 13 1 1 A 71 71 PHE H H 71 8.702 7.850 0.852 1
1 757 . 13 1 1 A 71 71 PHE CA C 71 55.748 56.153 -0.405 1
1 758 . 13 1 1 A 71 71 PHE HA H 71 4.936 5.105 -0.169 1
1 759 . 13 1 1 A 71 71 PHE CB C 71 41.245 40.887 0.358 1
1 771 . 13 1 1 A 71 71 PHE C C 71 171.709 172.129 -0.420 1
1 773 . 13 1 1 A 72 72 VAL N N 72 122.214 120.420 1.794 1
1 774 . 13 1 1 A 72 72 VAL H H 72 8.512 8.930 -0.418 1
1 775 . 13 1 1 A 72 72 VAL CA C 72 58.398 59.457 -1.059 1
1 776 . 13 1 1 A 72 72 VAL HA H 72 4.752 4.712 0.040 1
1 777 . 13 1 1 A 72 72 VAL CB C 72 32.747 32.207 0.540 1
1 787 . 13 1 1 A 72 72 VAL C C 72 174.416 175.061 -0.645 1
1 788 . 13 1 1 A 73 73 PRO CA C 73 62.606 62.684 -0.078 1
1 789 . 13 1 1 A 73 73 PRO HA H 73 4.646 5.036 -0.390 1
1 790 . 13 1 1 A 73 73 PRO CB C 73 33.679 29.914 3.765 1
1 796 . 13 1 1 A 73 73 PRO C C 73 176.757 175.822 0.935 1
1 800 . 13 1 1 A 74 74 GLN N N 74 119.992 123.396 -3.404 1
1 801 . 13 1 1 A 74 74 GLN H H 74 9.869 8.728 1.141 1
1 802 . 13 1 1 A 74 74 GLN CA C 74 55.156 55.038 0.118 1
1 803 . 13 1 1 A 74 74 GLN HA H 74 4.602 5.047 -0.445 1
1 804 . 13 1 1 A 74 74 GLN CB C 74 31.405 30.414 0.991 1
1 811 . 13 1 1 A 74 74 GLN C C 74 174.987 174.956 0.031 1
1 814 . 13 1 1 A 75 75 GLU N N 75 119.264 124.108 -4.844 1
1 815 . 13 1 1 A 75 75 GLU H H 75 8.009 8.867 -0.858 1
1 816 . 13 1 1 A 75 75 GLU CA C 75 54.138 54.264 -0.126 1
1 817 . 13 1 1 A 75 75 GLU HA H 75 4.657 4.733 -0.076 1
1 818 . 13 1 1 A 75 75 GLU CB C 75 34.046 33.114 0.932 1
1 822 . 13 1 1 A 75 75 GLU C C 75 173.922 176.012 -2.090 1
1 825 . 13 1 1 A 76 76 MET N N 76 117.176 119.336 -2.160 1
1 826 . 13 1 1 A 76 76 MET H H 76 8.450 8.616 -0.166 1
1 827 . 13 1 1 A 76 76 MET CA C 76 55.468 55.708 -0.240 1
1 828 . 13 1 1 A 76 76 MET HA H 76 4.275 4.829 -0.554 1
1 829 . 13 1 1 A 76 76 MET CB C 76 34.487 33.381 1.106 1
1 837 . 13 1 1 A 76 76 MET C C 76 175.964 175.664 0.300 1
1 840 . 13 1 1 A 77 77 GLY N N 77 106.906 106.053 0.853 1
1 841 . 13 1 1 A 77 77 GLY H H 77 9.058 7.633 1.425 1
1 842 . 13 1 1 A 77 77 GLY CA C 77 43.832 46.025 -2.193 1
1 843 . 13 1 1 A 77 77 GLY HA3 H 77 3.944 4.052 -0.108 1
1 844 . 13 1 1 A 77 77 GLY C C 77 176.459 172.123 4.336 1
1 845 . 13 1 1 A 77 77 GLY HA2 H 77 4.787 4.025 0.762 1
1 846 . 13 1 1 A 78 78 VAL N N 78 125.184 121.926 3.258 1
1 847 . 13 1 1 A 78 78 VAL H H 78 9.293 8.206 1.087 1
1 848 . 13 1 1 A 78 78 VAL CA C 78 64.999 62.111 2.888 1
1 849 . 13 1 1 A 78 78 VAL HA H 78 4.178 4.263 -0.085 1
1 850 . 13 1 1 A 78 78 VAL CB C 78 31.558 32.674 -1.116 1
1 860 . 13 1 1 A 78 78 VAL C C 78 175.942 175.655 0.287 1
1 861 . 13 1 1 A 79 79 HIS N N 79 128.345 127.372 0.973 1
1 862 . 13 1 1 A 79 79 HIS H H 79 9.553 8.511 1.042 1
1 863 . 13 1 1 A 79 79 HIS CA C 79 55.063 55.201 -0.138 1
1 864 . 13 1 1 A 79 79 HIS HA H 79 4.798 5.057 -0.259 1
1 865 . 13 1 1 A 79 79 HIS CB C 79 31.489 31.562 -0.073 1
1 871 . 13 1 1 A 79 79 HIS C C 79 174.069 174.795 -0.726 1
1 873 . 13 1 1 A 80 80 THR N N 80 114.672 116.020 -1.348 1
1 874 . 13 1 1 A 80 80 THR H H 80 8.452 8.242 0.210 1
1 875 . 13 1 1 A 80 80 THR CA C 80 61.075 61.623 -0.548 1
1 876 . 13 1 1 A 80 80 THR HA H 80 5.213 5.154 0.059 1
1 877 . 13 1 1 A 80 80 THR CB C 80 70.795 71.560 -0.765 1
1 883 . 13 1 1 A 80 80 THR C C 80 173.863 173.180 0.683 1
1 884 . 13 1 1 A 81 81 VAL N N 81 127.546 129.219 -1.673 1
1 885 . 13 1 1 A 81 81 VAL H H 81 9.701 9.480 0.221 1
1 886 . 13 1 1 A 81 81 VAL CA C 81 60.799 61.995 -1.196 1
1 887 . 13 1 1 A 81 81 VAL HA H 81 4.782 4.717 0.065 1
1 888 . 13 1 1 A 81 81 VAL CB C 81 33.635 32.170 1.465 1
1 898 . 13 1 1 A 81 81 VAL C C 81 174.707 175.420 -0.713 1
1 899 . 13 1 1 A 82 82 SER N N 82 123.308 124.252 -0.944 1
1 900 . 13 1 1 A 82 82 SER H H 82 9.104 9.150 -0.046 1
1 901 . 13 1 1 A 82 82 SER CA C 82 56.981 58.167 -1.186 1
1 902 . 13 1 1 A 82 82 SER HA H 82 5.108 5.102 0.006 1
1 903 . 13 1 1 A 82 82 SER CB C 82 64.728 63.911 0.817 1
1 905 . 13 1 1 A 82 82 SER C C 82 173.688 174.171 -0.483 1
1 907 . 13 1 1 A 83 83 VAL N N 83 129.049 127.052 1.997 1
1 908 . 13 1 1 A 83 83 VAL H H 83 9.925 9.041 0.884 1
1 909 . 13 1 1 A 83 83 VAL CA C 83 61.669 61.451 0.218 1
1 910 . 13 1 1 A 83 83 VAL HA H 83 4.897 5.016 -0.119 1
1 911 . 13 1 1 A 83 83 VAL CB C 83 33.590 34.206 -0.616 1
1 921 . 13 1 1 A 83 83 VAL C C 83 174.094 174.950 -0.856 1
1 922 . 13 1 1 A 84 84 LYS N N 84 123.792 126.644 -2.852 1
1 923 . 13 1 1 A 84 84 LYS H H 84 8.768 8.622 0.146 1
1 924 . 13 1 1 A 84 84 LYS CA C 84 54.435 54.217 0.218 1
1 925 . 13 1 1 A 84 84 LYS HA H 84 5.153 4.969 0.184 1
1 926 . 13 1 1 A 84 84 LYS CB C 84 37.608 35.848 1.760 1
1 934 . 13 1 1 A 84 84 LYS C C 84 174.908 174.770 0.138 1
1 939 . 13 1 1 A 85 85 TYR N N 85 120.439 122.504 -2.065 1
1 940 . 13 1 1 A 85 85 TYR H H 85 8.926 9.329 -0.403 1
1 941 . 13 1 1 A 85 85 TYR CA C 85 56.005 57.526 -1.521 1
1 942 . 13 1 1 A 85 85 TYR HA H 85 4.938 4.872 0.066 1
1 943 . 13 1 1 A 85 85 TYR CB C 85 41.386 41.101 0.285 1
1 953 . 13 1 1 A 85 85 TYR C C 85 175.255 174.928 0.327 1
1 955 . 13 1 1 A 86 86 ARG N N 86 127.150 128.366 -1.216 1
1 956 . 13 1 1 A 86 86 ARG H H 86 9.115 9.568 -0.453 1
1 957 . 13 1 1 A 86 86 ARG CA C 86 57.122 56.987 0.135 1
1 958 . 13 1 1 A 86 86 ARG HA H 86 3.659 3.781 -0.122 1
1 959 . 13 1 1 A 86 86 ARG CB C 86 27.563 27.459 0.104 1
1 965 . 13 1 1 A 86 86 ARG C C 86 176.482 176.228 0.254 1
1 969 . 13 1 1 A 87 87 GLY N N 87 102.394 104.843 -2.449 1
1 970 . 13 1 1 A 87 87 GLY H H 87 8.564 8.521 0.043 1
1 971 . 13 1 1 A 87 87 GLY CA C 87 45.388 46.111 -0.723 1
1 972 . 13 1 1 A 87 87 GLY HA3 H 87 4.099 3.897 0.202 1
1 973 . 13 1 1 A 87 87 GLY C C 87 173.631 173.657 -0.026 1
1 974 . 13 1 1 A 87 87 GLY HA2 H 87 3.460 3.887 -0.427 1
1 975 . 13 1 1 A 88 88 GLN N N 88 119.060 119.245 -0.185 1
1 976 . 13 1 1 A 88 88 GLN H H 88 7.665 7.886 -0.221 1
1 977 . 13 1 1 A 88 88 GLN CA C 88 53.265 54.299 -1.034 1
1 978 . 13 1 1 A 88 88 GLN HA H 88 4.749 4.859 -0.110 1
1 979 . 13 1 1 A 88 88 GLN CB C 88 31.383 32.046 -0.663 1
1 986 . 13 1 1 A 88 88 GLN C C 88 175.689 174.723 0.966 1
1 989 . 13 1 1 A 89 89 HIS N N 89 123.344 123.069 0.275 1
1 990 . 13 1 1 A 89 89 HIS H H 89 8.789 8.871 -0.082 1
1 991 . 13 1 1 A 89 89 HIS CA C 89 59.011 57.467 1.544 1
1 992 . 13 1 1 A 89 89 HIS HA H 89 4.546 4.560 -0.014 1
1 993 . 13 1 1 A 89 89 HIS CB C 89 32.365 29.883 2.482 1
1 999 . 13 1 1 A 89 89 HIS C C 89 178.152 175.572 2.580 1
1 1001 . 13 1 1 A 90 90 VAL N N 90 117.749 122.179 -4.430 1
1 1002 . 13 1 1 A 90 90 VAL H H 90 8.436 8.253 0.183 1
1 1003 . 13 1 1 A 90 90 VAL CA C 90 60.473 62.077 -1.604 1
1 1004 . 13 1 1 A 90 90 VAL HA H 90 4.535 4.060 0.475 1
1 1005 . 13 1 1 A 90 90 VAL CB C 90 32.489 33.495 -1.006 1
1 1015 . 13 1 1 A 90 90 VAL C C 90 176.018 175.382 0.636 1
1 1016 . 13 1 1 A 91 91 THR N N 91 118.099 117.449 0.650 1
1 1017 . 13 1 1 A 91 91 THR H H 91 8.491 8.453 0.038 1
1 1018 . 13 1 1 A 91 91 THR CA C 91 65.519 65.181 0.338 1
1 1019 . 13 1 1 A 91 91 THR HA H 91 3.924 3.826 0.098 1
1 1020 . 13 1 1 A 91 91 THR CB C 91 68.972 68.332 0.640 1
1 1026 . 13 1 1 A 91 91 THR C C 91 174.771 176.253 -1.482 1
1 1027 . 13 1 1 A 92 92 GLY N N 92 116.032 114.881 1.151 1
1 1028 . 13 1 1 A 92 92 GLY H H 92 8.563 8.884 -0.321 1
1 1029 . 13 1 1 A 92 92 GLY CA C 92 44.842 45.685 -0.843 1
1 1030 . 13 1 1 A 92 92 GLY HA3 H 92 4.213 3.934 0.279 1
1 1031 . 13 1 1 A 92 92 GLY C C 92 172.199 172.928 -0.729 1
1 1032 . 13 1 1 A 92 92 GLY HA2 H 92 3.361 3.797 -0.436 1
1 1033 . 13 1 1 A 93 93 SER N N 93 113.106 115.601 -2.495 1
1 1034 . 13 1 1 A 93 93 SER H H 93 7.806 7.439 0.367 1
1 1035 . 13 1 1 A 93 93 SER CA C 93 54.600 54.322 0.278 1
1 1036 . 13 1 1 A 93 93 SER HA H 93 4.159 3.973 0.186 1
1 1037 . 13 1 1 A 93 93 SER CB C 93 62.787 64.965 -2.178 1
1 1039 . 13 1 1 A 93 93 SER C C 93 174.123 172.790 1.333 1
1 1041 . 13 1 1 A 94 94 PRO CA C 94 62.619 62.167 0.452 1
1 1042 . 13 1 1 A 94 94 PRO HA H 94 5.537 4.465 1.072 1
1 1043 . 13 1 1 A 94 94 PRO CB C 94 34.521 33.111 1.410 1
1 1049 . 13 1 1 A 94 94 PRO C C 94 176.046 174.765 1.281 1
1 1053 . 13 1 1 A 95 95 PHE N N 95 120.547 119.696 0.851 1
1 1054 . 13 1 1 A 95 95 PHE H H 95 9.127 8.410 0.717 1
1 1055 . 13 1 1 A 95 95 PHE CA C 95 56.700 56.649 0.051 1
1 1056 . 13 1 1 A 95 95 PHE HA H 95 4.844 5.108 -0.264 1
1 1057 . 13 1 1 A 95 95 PHE CB C 95 41.285 40.947 0.338 1
1 1069 . 13 1 1 A 95 95 PHE C C 95 175.219 174.554 0.665 1
1 1071 . 13 1 1 A 96 96 GLN N N 96 120.382 125.528 -5.146 1
1 1072 . 13 1 1 A 96 96 GLN H H 96 8.896 9.159 -0.263 1
1 1073 . 13 1 1 A 96 96 GLN CA C 96 55.028 55.415 -0.387 1
1 1074 . 13 1 1 A 96 96 GLN HA H 96 5.440 4.950 0.490 1
1 1075 . 13 1 1 A 96 96 GLN CB C 96 31.867 29.975 1.892 1
1 1082 . 13 1 1 A 96 96 GLN C C 96 175.480 175.264 0.216 1
1 1085 . 13 1 1 A 97 97 PHE N N 97 121.331 121.156 0.175 1
1 1086 . 13 1 1 A 97 97 PHE H H 97 8.822 8.721 0.101 1
1 1087 . 13 1 1 A 97 97 PHE CA C 97 56.931 56.284 0.647 1
1 1088 . 13 1 1 A 97 97 PHE HA H 97 4.960 5.192 -0.232 1
1 1089 . 13 1 1 A 97 97 PHE CB C 97 42.133 41.976 0.157 1
1 1101 . 13 1 1 A 97 97 PHE C C 97 173.780 172.476 1.304 1
1 1103 . 13 1 1 A 98 98 THR N N 98 121.160 116.969 4.191 1
1 1104 . 13 1 1 A 98 98 THR H H 98 8.907 8.939 -0.032 1
1 1105 . 13 1 1 A 98 98 THR CA C 98 63.381 62.267 1.114 1
1 1106 . 13 1 1 A 98 98 THR HA H 98 4.487 4.607 -0.120 1
1 1107 . 13 1 1 A 98 98 THR CB C 98 69.599 69.433 0.166 1
1 1113 . 13 1 1 A 98 98 THR C C 98 173.058 173.973 -0.915 1
1 1114 . 13 1 1 A 99 99 VAL N N 99 128.111 126.819 1.292 1
1 1115 . 13 1 1 A 99 99 VAL H H 99 8.240 8.790 -0.550 1
1 1116 . 13 1 1 A 99 99 VAL CA C 99 61.670 60.519 1.151 1
1 1117 . 13 1 1 A 99 99 VAL HA H 99 4.271 4.708 -0.437 1
1 1118 . 13 1 1 A 99 99 VAL CB C 99 32.962 34.086 -1.124 1
1 1128 . 13 1 1 A 99 99 VAL C C 99 176.689 175.232 1.457 1
1 1129 . 13 1 1 A 100 100 GLY N N 100 118.412 114.661 3.751 1
1 1130 . 13 1 1 A 100 100 GLY H H 100 8.946 8.372 0.574 1
1 1131 . 13 1 1 A 100 100 GLY CA C 100 44.504 43.810 0.694 1
1 1132 . 13 1 1 A 100 100 GLY HA3 H 100 4.506 4.361 0.145 1
1 1133 . 13 1 1 A 100 100 GLY C C 100 170.474 172.693 -2.219 1
1 1134 . 13 1 1 A 100 100 GLY HA2 H 100 4.136 4.355 -0.219 1
1 1135 . 13 1 1 A 101 101 PRO CA C 101 62.588 62.317 0.271 1
1 1136 . 13 1 1 A 101 101 PRO HA H 101 4.525 4.605 -0.080 1
1 1137 . 13 1 1 A 101 101 PRO CB C 101 32.641 32.962 -0.321 1
1 1143 . 13 1 1 A 101 101 PRO C C 101 176.696 175.806 0.890 1
1 1147 . 13 1 1 A 102 102 LEU N N 102 121.326 122.165 -0.839 1
1 1148 . 13 1 1 A 102 102 LEU H H 102 8.374 8.403 -0.029 1
1 1149 . 13 1 1 A 102 102 LEU CA C 102 55.855 54.494 1.361 1
1 1150 . 13 1 1 A 102 102 LEU HA H 102 4.221 4.638 -0.417 1
1 1151 . 13 1 1 A 102 102 LEU CB C 102 42.652 42.710 -0.058 1
1 1163 . 13 1 1 A 102 102 LEU C C 102 178.005 177.440 0.565 1
1 1165 . 13 1 1 A 103 103 GLY N N 103 110.870 108.486 2.384 1
1 1166 . 13 1 1 A 103 103 GLY H H 103 8.481 8.682 -0.201 1
1 1167 . 13 1 1 A 103 103 GLY CA C 103 45.208 45.249 -0.041 1
1 1168 . 13 1 1 A 103 103 GLY HA3 H 103 3.927 4.037 -0.110 1
1 1169 . 13 1 1 A 103 103 GLY C C 103 174.126 174.951 -0.825 1
1 1170 . 13 1 1 A 103 103 GLY HA2 H 103 3.991 4.037 -0.046 1
1 1171 . 13 1 1 A 104 104 GLU N N 104 120.771 123.779 -3.008 1
1 1172 . 13 1 1 A 104 104 GLU H H 104 8.308 9.253 -0.945 1
1 1173 . 13 1 1 A 104 104 GLU CA C 104 56.713 57.378 -0.665 1
1 1174 . 13 1 1 A 104 104 GLU HA H 104 4.318 3.955 0.363 1
1 1175 . 13 1 1 A 104 104 GLU CB C 104 30.470 28.556 1.914 1
1 1179 . 13 1 1 A 104 104 GLU C C 104 177.052 175.674 1.378 1
1 1182 . 13 1 1 A 105 105 GLY N N 105 110.589 106.113 4.476 1
1 1183 . 13 1 1 A 105 105 GLY H H 105 8.546 8.559 -0.013 1
1 1184 . 13 1 1 A 105 105 GLY CA C 105 45.256 44.616 0.640 1
1 1185 . 13 1 1 A 105 105 GLY HA3 H 105 3.925 4.030 -0.105 1
1 1186 . 13 1 1 A 105 105 GLY C C 105 173.795 173.210 0.585 1
1 1187 . 13 1 1 A 105 105 GLY HA2 H 105 3.992 4.029 -0.037 1
1 1 . 14 1 1 A 7 7 GLY CA C 7 45.415 47.364 -1.949 1
1 2 . 14 1 1 A 7 7 GLY HA3 H 7 3.972 3.861 0.111 1
1 3 . 14 1 1 A 7 7 GLY C C 7 174.102 173.301 0.801 1
1 4 . 14 1 1 A 7 7 GLY HA2 H 7 3.972 3.861 0.111 1
1 5 . 14 1 1 A 8 8 ARG N N 8 120.724 124.282 -3.558 1
1 6 . 14 1 1 A 8 8 ARG H H 8 8.124 8.377 -0.253 1
1 7 . 14 1 1 A 8 8 ARG CA C 8 56.123 54.409 1.714 1
1 8 . 14 1 1 A 8 8 ARG HA H 8 4.363 4.949 -0.586 1
1 9 . 14 1 1 A 8 8 ARG CB C 8 30.881 33.365 -2.484 1
1 15 . 14 1 1 A 8 8 ARG C C 8 176.487 174.605 1.882 1
1 19 . 14 1 1 A 9 9 VAL N N 9 121.839 124.928 -3.089 1
1 20 . 14 1 1 A 9 9 VAL H H 9 8.204 9.007 -0.803 1
1 21 . 14 1 1 A 9 9 VAL CA C 9 62.438 61.290 1.148 1
1 22 . 14 1 1 A 9 9 VAL HA H 9 4.081 4.702 -0.621 1
1 23 . 14 1 1 A 9 9 VAL CB C 9 32.773 33.634 -0.861 1
1 33 . 14 1 1 A 9 9 VAL C C 9 176.204 174.639 1.565 1
1 34 . 14 1 1 A 10 10 LYS N N 10 125.552 129.309 -3.757 1
1 35 . 14 1 1 A 10 10 LYS H H 10 8.437 9.180 -0.743 1
1 36 . 14 1 1 A 10 10 LYS CA C 10 56.575 54.828 1.747 1
1 37 . 14 1 1 A 10 10 LYS HA H 10 4.280 4.906 -0.626 1
1 38 . 14 1 1 A 10 10 LYS CB C 10 33.046 34.412 -1.366 1
1 46 . 14 1 1 A 10 10 LYS C C 10 176.486 175.010 1.476 1
1 51 . 14 1 1 A 11 11 GLU N N 11 122.741 127.015 -4.274 1
1 52 . 14 1 1 A 11 11 GLU H H 11 8.490 8.737 -0.247 1
1 53 . 14 1 1 A 11 11 GLU CA C 11 56.717 54.553 2.164 1
1 54 . 14 1 1 A 11 11 GLU HA H 11 4.303 4.727 -0.424 1
1 55 . 14 1 1 A 11 11 GLU CB C 11 30.422 31.574 -1.152 1
1 59 . 14 1 1 A 11 11 GLU C C 11 176.428 176.783 -0.355 1
1 62 . 14 1 1 A 12 12 SER N N 12 117.227 117.711 -0.484 1
1 63 . 14 1 1 A 12 12 SER H H 12 8.434 8.537 -0.103 1
1 64 . 14 1 1 A 12 12 SER CA C 12 58.340 59.074 -0.734 1
1 65 . 14 1 1 A 12 12 SER HA H 12 4.477 4.375 0.102 1
1 66 . 14 1 1 A 12 12 SER CB C 12 63.670 64.185 -0.515 1
1 68 . 14 1 1 A 12 12 SER C C 12 174.574 174.086 0.488 1
1 70 . 14 1 1 A 13 13 ILE N N 13 122.704 122.046 0.658 1
1 71 . 14 1 1 A 13 13 ILE H H 13 8.189 8.386 -0.197 1
1 72 . 14 1 1 A 13 13 ILE CA C 13 61.364 61.465 -0.101 1
1 73 . 14 1 1 A 13 13 ILE HA H 13 4.270 3.978 0.292 1
1 74 . 14 1 1 A 13 13 ILE CB C 13 38.870 38.606 0.264 1
1 86 . 14 1 1 A 13 13 ILE C C 13 176.445 175.262 1.183 1
1 88 . 14 1 1 A 14 14 THR N N 14 118.671 120.357 -1.686 1
1 89 . 14 1 1 A 14 14 THR H H 14 8.265 8.277 -0.012 1
1 90 . 14 1 1 A 14 14 THR CA C 14 62.080 59.940 2.140 1
1 91 . 14 1 1 A 14 14 THR HA H 14 4.338 4.879 -0.541 1
1 92 . 14 1 1 A 14 14 THR CB C 14 69.779 70.645 -0.866 1
1 98 . 14 1 1 A 14 14 THR C C 14 174.465 174.703 -0.238 1
1 99 . 14 1 1 A 15 15 ARG N N 15 124.132 124.739 -0.607 1
1 100 . 14 1 1 A 15 15 ARG H H 15 8.428 8.791 -0.363 1
1 101 . 14 1 1 A 15 15 ARG CA C 15 56.221 55.645 0.576 1
1 102 . 14 1 1 A 15 15 ARG HA H 15 4.447 4.670 -0.223 1
1 103 . 14 1 1 A 15 15 ARG CB C 15 30.949 31.172 -0.223 1
1 109 . 14 1 1 A 15 15 ARG C C 15 176.374 176.043 0.331 1
1 113 . 14 1 1 A 16 16 THR N N 16 115.339 115.439 -0.100 1
1 114 . 14 1 1 A 16 16 THR H H 16 8.232 7.622 0.610 1
1 115 . 14 1 1 A 16 16 THR CA C 16 61.828 61.581 0.247 1
1 116 . 14 1 1 A 16 16 THR HA H 16 4.389 4.810 -0.421 1
1 117 . 14 1 1 A 16 16 THR CB C 16 69.896 70.969 -1.073 1
1 123 . 14 1 1 A 16 16 THR C C 16 174.518 173.047 1.471 1
1 124 . 14 1 1 A 17 17 SER N N 17 118.278 119.725 -1.447 1
1 125 . 14 1 1 A 17 17 SER H H 17 8.331 8.662 -0.331 1
1 126 . 14 1 1 A 17 17 SER CA C 17 58.326 57.129 1.197 1
1 127 . 14 1 1 A 17 17 SER HA H 17 4.500 4.972 -0.472 1
1 128 . 14 1 1 A 17 17 SER CB C 17 63.918 65.914 -1.996 1
1 130 . 14 1 1 A 17 17 SER C C 17 174.172 172.894 1.278 1
1 132 . 14 1 1 A 18 18 ARG N N 18 122.935 126.436 -3.501 1
1 133 . 14 1 1 A 18 18 ARG H H 18 8.376 8.721 -0.345 1
1 134 . 14 1 1 A 18 18 ARG CA C 18 55.772 55.276 0.496 1
1 135 . 14 1 1 A 18 18 ARG HA H 18 4.386 4.901 -0.515 1
1 136 . 14 1 1 A 18 18 ARG CB C 18 31.073 30.823 0.250 1
1 142 . 14 1 1 A 18 18 ARG C C 18 175.493 175.346 0.147 1
1 146 . 14 1 1 A 19 19 ALA N N 19 126.804 127.598 -0.794 1
1 147 . 14 1 1 A 19 19 ALA H H 19 8.357 8.953 -0.596 1
1 148 . 14 1 1 A 19 19 ALA CA C 19 50.553 49.303 1.250 1
1 149 . 14 1 1 A 19 19 ALA HA H 19 4.585 4.830 -0.245 1
1 150 . 14 1 1 A 19 19 ALA CB C 19 18.208 21.724 -3.516 1
1 154 . 14 1 1 A 19 19 ALA C C 19 175.408 174.899 0.509 1
1 155 . 14 1 1 A 20 20 PRO CA C 20 63.352 62.850 0.502 1
1 156 . 14 1 1 A 20 20 PRO HA H 20 4.455 4.787 -0.332 1
1 157 . 14 1 1 A 20 20 PRO CB C 20 32.196 31.701 0.495 1
1 163 . 14 1 1 A 20 20 PRO C C 20 176.846 175.355 1.491 1
1 167 . 14 1 1 A 21 21 SER N N 21 116.414 118.225 -1.811 1
1 168 . 14 1 1 A 21 21 SER H H 21 8.449 8.952 -0.503 1
1 169 . 14 1 1 A 21 21 SER CA C 21 58.507 57.302 1.205 1
1 170 . 14 1 1 A 21 21 SER HA H 21 4.475 4.795 -0.320 1
1 171 . 14 1 1 A 21 21 SER CB C 21 63.851 66.151 -2.300 1
1 173 . 14 1 1 A 21 21 SER C C 21 174.344 173.047 1.297 1
1 175 . 14 1 1 A 22 22 VAL N N 22 120.580 125.261 -4.681 1
1 176 . 14 1 1 A 22 22 VAL H H 22 8.110 8.495 -0.385 1
1 177 . 14 1 1 A 22 22 VAL CA C 22 61.788 61.834 -0.046 1
1 178 . 14 1 1 A 22 22 VAL HA H 22 4.293 4.237 0.056 1
1 179 . 14 1 1 A 22 22 VAL CB C 22 33.445 32.318 1.127 1
1 189 . 14 1 1 A 22 22 VAL C C 22 175.160 175.518 -0.358 1
1 190 . 14 1 1 A 23 23 ALA N N 23 127.788 126.791 0.997 1
1 191 . 14 1 1 A 23 23 ALA H H 23 8.428 8.845 -0.417 1
1 192 . 14 1 1 A 23 23 ALA CA C 23 51.790 51.897 -0.107 1
1 193 . 14 1 1 A 23 23 ALA HA H 23 4.594 4.968 -0.374 1
1 194 . 14 1 1 A 23 23 ALA CB C 23 21.050 22.282 -1.232 1
1 198 . 14 1 1 A 23 23 ALA C C 23 176.198 175.750 0.448 1
1 199 . 14 1 1 A 24 24 THR N N 24 115.139 118.597 -3.458 1
1 200 . 14 1 1 A 24 24 THR H H 24 8.338 8.791 -0.453 1
1 201 . 14 1 1 A 24 24 THR CA C 24 60.519 62.145 -1.626 1
1 202 . 14 1 1 A 24 24 THR HA H 24 4.674 4.962 -0.288 1
1 203 . 14 1 1 A 24 24 THR CB C 24 72.048 70.443 1.605 1
1 209 . 14 1 1 A 24 24 THR C C 24 173.979 173.433 0.546 1
1 210 . 14 1 1 A 25 25 VAL N N 25 122.772 125.571 -2.799 1
1 211 . 14 1 1 A 25 25 VAL H H 25 8.002 8.582 -0.580 1
1 212 . 14 1 1 A 25 25 VAL CA C 25 64.582 61.323 3.259 1
1 213 . 14 1 1 A 25 25 VAL HA H 25 3.280 4.336 -1.056 1
1 214 . 14 1 1 A 25 25 VAL CB C 25 32.102 33.106 -1.004 1
1 224 . 14 1 1 A 25 25 VAL C C 25 176.709 176.724 -0.015 1
1 225 . 14 1 1 A 26 26 GLY N N 26 112.345 116.121 -3.776 1
1 226 . 14 1 1 A 26 26 GLY H H 26 8.344 8.736 -0.392 1
1 227 . 14 1 1 A 26 26 GLY CA C 26 45.534 46.468 -0.934 1
1 228 . 14 1 1 A 26 26 GLY HA3 H 26 4.166 3.978 0.188 1
1 229 . 14 1 1 A 26 26 GLY C C 26 173.701 173.377 0.324 1
1 230 . 14 1 1 A 26 26 GLY HA2 H 26 3.519 3.966 -0.447 1
1 231 . 14 1 1 A 27 27 SER N N 27 116.474 113.648 2.826 1
1 232 . 14 1 1 A 27 27 SER H H 27 7.738 7.737 0.001 1
1 233 . 14 1 1 A 27 27 SER CA C 27 57.264 57.189 0.075 1
1 234 . 14 1 1 A 27 27 SER HA H 27 4.692 4.655 0.037 1
1 235 . 14 1 1 A 27 27 SER CB C 27 65.270 64.535 0.735 1
1 237 . 14 1 1 A 27 27 SER C C 27 172.491 173.040 -0.549 1
1 239 . 14 1 1 A 28 28 ILE N N 28 122.052 123.596 -1.544 1
1 240 . 14 1 1 A 28 28 ILE H H 28 8.350 8.562 -0.212 1
1 241 . 14 1 1 A 28 28 ILE CA C 28 62.995 62.115 0.880 1
1 242 . 14 1 1 A 28 28 ILE HA H 28 3.693 4.385 -0.692 1
1 243 . 14 1 1 A 28 28 ILE CB C 28 38.221 37.359 0.862 1
1 255 . 14 1 1 A 28 28 ILE C C 28 175.624 175.551 0.073 1
1 257 . 14 1 1 A 29 29 CYS N N 29 129.493 126.563 2.930 1
1 258 . 14 1 1 A 29 29 CYS H H 29 8.730 8.736 -0.006 1
1 259 . 14 1 1 A 29 29 CYS CA C 29 58.201 56.945 1.256 1
1 260 . 14 1 1 A 29 29 CYS HA H 29 4.451 5.292 -0.841 1
1 261 . 14 1 1 A 29 29 CYS CB C 29 28.560 29.240 -0.680 1
1 263 . 14 1 1 A 29 29 CYS C C 29 171.207 172.963 -1.756 1
1 265 . 14 1 1 A 30 30 ASP N N 30 123.789 124.384 -0.595 1
1 266 . 14 1 1 A 30 30 ASP H H 30 8.000 8.586 -0.586 1
1 267 . 14 1 1 A 30 30 ASP CA C 30 52.692 53.520 -0.828 1
1 268 . 14 1 1 A 30 30 ASP HA H 30 5.315 4.771 0.544 1
1 269 . 14 1 1 A 30 30 ASP CB C 30 43.397 41.040 2.357 1
1 271 . 14 1 1 A 30 30 ASP C C 30 175.569 174.745 0.824 1
1 273 . 14 1 1 A 31 31 LEU N N 31 125.116 126.727 -1.611 1
1 274 . 14 1 1 A 31 31 LEU H H 31 9.147 9.183 -0.036 1
1 275 . 14 1 1 A 31 31 LEU CA C 31 53.606 53.627 -0.021 1
1 276 . 14 1 1 A 31 31 LEU HA H 31 4.515 4.786 -0.271 1
1 277 . 14 1 1 A 31 31 LEU CB C 31 43.262 44.030 -0.768 1
1 289 . 14 1 1 A 31 31 LEU C C 31 174.935 175.194 -0.259 1
1 291 . 14 1 1 A 32 32 ASN N N 32 124.687 124.602 0.085 1
1 292 . 14 1 1 A 32 32 ASN H H 32 8.690 8.782 -0.092 1
1 293 . 14 1 1 A 32 32 ASN CA C 32 53.696 52.003 1.693 1
1 294 . 14 1 1 A 32 32 ASN HA H 32 5.077 5.161 -0.084 1
1 295 . 14 1 1 A 32 32 ASN CB C 32 39.842 39.335 0.507 1
1 300 . 14 1 1 A 32 32 ASN C C 32 174.322 174.558 -0.236 1
1 302 . 14 1 1 A 33 33 LEU N N 33 123.838 126.175 -2.337 1
1 303 . 14 1 1 A 33 33 LEU H H 33 8.912 8.620 0.292 1
1 304 . 14 1 1 A 33 33 LEU CA C 33 53.820 53.214 0.606 1
1 305 . 14 1 1 A 33 33 LEU HA H 33 4.638 4.909 -0.271 1
1 306 . 14 1 1 A 33 33 LEU CB C 33 45.587 44.472 1.115 1
1 318 . 14 1 1 A 33 33 LEU C C 33 175.719 175.856 -0.137 1
1 320 . 14 1 1 A 34 34 LYS N N 34 124.925 122.909 2.016 1
1 321 . 14 1 1 A 34 34 LYS H H 34 8.718 8.355 0.363 1
1 322 . 14 1 1 A 34 34 LYS CA C 34 55.079 56.172 -1.093 1
1 323 . 14 1 1 A 34 34 LYS HA H 34 5.036 4.409 0.627 1
1 324 . 14 1 1 A 34 34 LYS CB C 34 32.121 31.291 0.830 1
1 332 . 14 1 1 A 34 34 LYS C C 34 176.081 175.561 0.520 1
1 337 . 14 1 1 A 35 35 ILE N N 35 123.769 125.387 -1.618 1
1 338 . 14 1 1 A 35 35 ILE H H 35 7.935 8.283 -0.348 1
1 339 . 14 1 1 A 35 35 ILE CA C 35 58.161 57.705 0.456 1
1 340 . 14 1 1 A 35 35 ILE HA H 35 4.612 4.612 0.000 1
1 341 . 14 1 1 A 35 35 ILE CB C 35 40.616 38.238 2.378 1
1 353 . 14 1 1 A 35 35 ILE C C 35 173.405 174.498 -1.093 1
1 355 . 14 1 1 A 36 36 PRO CA C 36 63.143 62.328 0.815 1
1 356 . 14 1 1 A 36 36 PRO HA H 36 4.435 4.581 -0.146 1
1 357 . 14 1 1 A 36 36 PRO CB C 36 32.806 33.148 -0.342 1
1 363 . 14 1 1 A 36 36 PRO C C 36 176.844 177.158 -0.314 1
1 367 . 14 1 1 A 37 37 GLU N N 37 114.188 120.590 -6.402 1
1 368 . 14 1 1 A 37 37 GLU H H 37 8.358 9.099 -0.741 1
1 369 . 14 1 1 A 37 37 GLU CA C 37 59.038 59.706 -0.668 1
1 370 . 14 1 1 A 37 37 GLU HA H 37 3.916 4.069 -0.153 1
1 371 . 14 1 1 A 37 37 GLU CB C 37 28.206 29.491 -1.285 1
1 375 . 14 1 1 A 37 37 GLU C C 37 175.996 177.510 -1.514 1
1 378 . 14 1 1 A 38 38 ILE N N 38 118.733 122.012 -3.279 1
1 379 . 14 1 1 A 38 38 ILE H H 38 7.679 7.453 0.226 1
1 380 . 14 1 1 A 38 38 ILE CA C 38 60.711 62.325 -1.614 1
1 381 . 14 1 1 A 38 38 ILE HA H 38 4.029 4.051 -0.022 1
1 382 . 14 1 1 A 38 38 ILE CB C 38 40.278 38.156 2.122 1
1 394 . 14 1 1 A 38 38 ILE C C 38 175.255 176.005 -0.750 1
1 396 . 14 1 1 A 39 39 ASN H H 39 8.593 8.916 -0.323 1
1 397 . 14 1 1 A 39 39 ASN CA C 39 52.929 52.274 0.655 1
1 398 . 14 1 1 A 39 39 ASN HA H 39 4.921 5.142 -0.221 1
1 399 . 14 1 1 A 39 39 ASN CB C 39 39.419 39.931 -0.512 1
1 404 . 14 1 1 A 39 39 ASN C C 39 176.891 176.584 0.307 1
1 406 . 14 1 1 A 40 40 SER N N 40 120.676 118.779 1.897 1
1 407 . 14 1 1 A 40 40 SER H H 40 8.995 9.170 -0.175 1
1 408 . 14 1 1 A 40 40 SER CA C 40 62.318 62.020 0.298 1
1 409 . 14 1 1 A 40 40 SER HA H 40 4.058 3.964 0.094 1
1 410 . 14 1 1 A 40 40 SER CB C 40 63.297 62.447 0.850 1
1 412 . 14 1 1 A 40 40 SER C C 40 176.866 176.766 0.100 1
1 414 . 14 1 1 A 41 41 SER N N 41 112.249 115.391 -3.142 1
1 415 . 14 1 1 A 41 41 SER H H 41 8.253 8.432 -0.179 1
1 416 . 14 1 1 A 41 41 SER CA C 41 60.133 61.759 -1.626 1
1 417 . 14 1 1 A 41 41 SER HA H 41 4.348 4.344 0.004 1
1 418 . 14 1 1 A 41 41 SER CB C 41 62.986 62.812 0.174 1
1 420 . 14 1 1 A 41 41 SER C C 41 174.885 176.242 -1.357 1
1 422 . 14 1 1 A 42 42 ASP N N 42 119.471 119.354 0.117 1
1 423 . 14 1 1 A 42 42 ASP H H 42 7.835 7.556 0.279 1
1 424 . 14 1 1 A 42 42 ASP CA C 42 54.713 56.343 -1.630 1
1 425 . 14 1 1 A 42 42 ASP HA H 42 4.933 4.536 0.397 1
1 426 . 14 1 1 A 42 42 ASP CB C 42 42.479 41.609 0.870 1
1 428 . 14 1 1 A 42 42 ASP C C 42 175.586 177.022 -1.436 1
1 430 . 14 1 1 A 43 43 MET N N 43 119.155 118.748 0.407 1
1 431 . 14 1 1 A 43 43 MET H H 43 7.549 7.831 -0.282 1
1 432 . 14 1 1 A 43 43 MET CA C 43 54.927 55.250 -0.323 1
1 433 . 14 1 1 A 43 43 MET HA H 43 5.359 4.819 0.540 1
1 434 . 14 1 1 A 43 43 MET CB C 43 37.158 33.738 3.420 1
1 442 . 14 1 1 A 43 43 MET C C 43 174.894 175.171 -0.277 1
1 445 . 14 1 1 A 44 44 SER N N 44 114.070 116.348 -2.278 1
1 446 . 14 1 1 A 44 44 SER H H 44 8.739 8.334 0.405 1
1 447 . 14 1 1 A 44 44 SER CA C 44 56.937 57.826 -0.889 1
1 448 . 14 1 1 A 44 44 SER HA H 44 4.700 5.233 -0.533 1
1 449 . 14 1 1 A 44 44 SER CB C 44 66.247 65.827 0.420 1
1 451 . 14 1 1 A 44 44 SER C C 44 172.764 173.072 -0.308 1
1 453 . 14 1 1 A 45 45 ALA N N 45 126.192 129.105 -2.913 1
1 454 . 14 1 1 A 45 45 ALA H H 45 9.123 8.980 0.143 1
1 455 . 14 1 1 A 45 45 ALA CA C 45 50.378 50.162 0.216 1
1 456 . 14 1 1 A 45 45 ALA HA H 45 5.741 5.564 0.177 1
1 457 . 14 1 1 A 45 45 ALA CB C 45 23.330 22.296 1.034 1
1 461 . 14 1 1 A 45 45 ALA C C 45 175.089 176.294 -1.205 1
1 462 . 14 1 1 A 46 46 HIS N N 46 119.075 118.137 0.938 1
1 463 . 14 1 1 A 46 46 HIS H H 46 8.701 8.959 -0.258 1
1 464 . 14 1 1 A 46 46 HIS CA C 46 55.999 54.746 1.253 1
1 465 . 14 1 1 A 46 46 HIS HA H 46 5.157 4.947 0.210 1
1 466 . 14 1 1 A 46 46 HIS CB C 46 34.239 33.563 0.676 1
1 472 . 14 1 1 A 46 46 HIS C C 46 174.155 174.052 0.103 1
1 474 . 14 1 1 A 47 47 VAL N N 47 125.059 124.099 0.960 1
1 475 . 14 1 1 A 47 47 VAL H H 47 9.488 8.376 1.112 1
1 476 . 14 1 1 A 47 47 VAL CA C 47 60.604 62.730 -2.126 1
1 477 . 14 1 1 A 47 47 VAL HA H 47 4.730 4.229 0.501 1
1 478 . 14 1 1 A 47 47 VAL CB C 47 33.769 31.464 2.305 1
1 488 . 14 1 1 A 47 47 VAL C C 47 175.126 175.501 -0.375 1
1 489 . 14 1 1 A 48 48 THR N N 48 124.473 124.058 0.415 1
1 490 . 14 1 1 A 48 48 THR H H 48 9.432 9.150 0.282 1
1 491 . 14 1 1 A 48 48 THR CA C 48 61.766 62.581 -0.815 1
1 492 . 14 1 1 A 48 48 THR HA H 48 5.164 4.494 0.670 1
1 493 . 14 1 1 A 48 48 THR CB C 48 69.384 69.425 -0.041 1
1 499 . 14 1 1 A 48 48 THR C C 48 174.573 174.471 0.102 1
1 500 . 14 1 1 A 49 49 SER N N 49 125.657 123.534 2.123 1
1 501 . 14 1 1 A 49 49 SER H H 49 9.043 9.162 -0.119 1
1 502 . 14 1 1 A 49 49 SER CA C 49 56.638 56.844 -0.206 1
1 503 . 14 1 1 A 49 49 SER HA H 49 4.225 4.641 -0.416 1
1 504 . 14 1 1 A 49 49 SER CB C 49 62.948 63.094 -0.146 1
1 506 . 14 1 1 A 49 49 SER C C 49 174.034 174.822 -0.788 1
1 508 . 14 1 1 A 50 50 PRO CA C 50 65.784 64.096 1.688 1
1 509 . 14 1 1 A 50 50 PRO HA H 50 4.260 4.489 -0.229 1
1 510 . 14 1 1 A 50 50 PRO CB C 50 31.493 31.563 -0.070 1
1 516 . 14 1 1 A 50 50 PRO C C 50 177.687 176.796 0.891 1
1 520 . 14 1 1 A 51 51 SER N N 51 110.322 111.023 -0.701 1
1 521 . 14 1 1 A 51 51 SER H H 51 8.349 7.720 0.629 1
1 522 . 14 1 1 A 51 51 SER CA C 51 59.076 58.609 0.467 1
1 523 . 14 1 1 A 51 51 SER HA H 51 4.332 4.494 -0.162 1
1 524 . 14 1 1 A 51 51 SER CB C 51 62.825 65.087 -2.262 1
1 526 . 14 1 1 A 51 51 SER C C 51 175.363 175.054 0.309 1
1 528 . 14 1 1 A 52 52 GLY N N 52 111.132 109.820 1.312 1
1 529 . 14 1 1 A 52 52 GLY H H 52 8.289 7.465 0.824 1
1 530 . 14 1 1 A 52 52 GLY CA C 52 44.831 45.207 -0.376 1
1 531 . 14 1 1 A 52 52 GLY HA3 H 52 4.302 4.009 0.293 1
1 532 . 14 1 1 A 52 52 GLY C C 52 174.002 174.478 -0.476 1
1 533 . 14 1 1 A 52 52 GLY HA2 H 52 3.421 4.007 -0.586 1
1 534 . 14 1 1 A 53 53 ARG N N 53 121.515 120.555 0.960 1
1 535 . 14 1 1 A 53 53 ARG H H 53 7.322 7.534 -0.212 1
1 536 . 14 1 1 A 53 53 ARG CA C 53 56.749 56.740 0.009 1
1 537 . 14 1 1 A 53 53 ARG HA H 53 4.222 4.385 -0.163 1
1 538 . 14 1 1 A 53 53 ARG CB C 53 30.430 31.461 -1.031 1
1 544 . 14 1 1 A 53 53 ARG C C 53 176.023 175.008 1.015 1
1 548 . 14 1 1 A 54 54 VAL N N 54 128.383 122.266 6.117 1
1 549 . 14 1 1 A 54 54 VAL H H 54 8.780 8.655 0.125 1
1 550 . 14 1 1 A 54 54 VAL CA C 54 61.533 61.249 0.284 1
1 551 . 14 1 1 A 54 54 VAL HA H 54 5.243 4.887 0.356 1
1 552 . 14 1 1 A 54 54 VAL CB C 54 33.205 34.283 -1.078 1
1 562 . 14 1 1 A 54 54 VAL C C 54 176.783 175.116 1.667 1
1 563 . 14 1 1 A 55 55 THR N N 55 121.757 123.092 -1.335 1
1 564 . 14 1 1 A 55 55 THR H H 55 9.188 9.129 0.059 1
1 565 . 14 1 1 A 55 55 THR CA C 55 60.216 61.034 -0.818 1
1 566 . 14 1 1 A 55 55 THR HA H 55 4.751 4.823 -0.072 1
1 567 . 14 1 1 A 55 55 THR CB C 55 71.896 70.985 0.911 1
1 573 . 14 1 1 A 55 55 THR C C 55 173.454 173.264 0.190 1
1 574 . 14 1 1 A 56 56 GLU N N 56 125.373 124.011 1.362 1
1 575 . 14 1 1 A 56 56 GLU H H 56 8.927 8.725 0.202 1
1 576 . 14 1 1 A 56 56 GLU CA C 56 57.019 55.522 1.497 1
1 577 . 14 1 1 A 56 56 GLU HA H 56 4.365 4.624 -0.259 1
1 578 . 14 1 1 A 56 56 GLU CB C 56 30.230 31.312 -1.082 1
1 582 . 14 1 1 A 56 56 GLU C C 56 175.556 175.429 0.127 1
1 585 . 14 1 1 A 57 57 ALA N N 57 128.204 126.281 1.923 1
1 586 . 14 1 1 A 57 57 ALA H H 57 8.201 7.888 0.313 1
1 587 . 14 1 1 A 57 57 ALA CA C 57 50.068 50.076 -0.008 1
1 588 . 14 1 1 A 57 57 ALA HA H 57 4.827 5.332 -0.505 1
1 589 . 14 1 1 A 57 57 ALA CB C 57 21.531 23.756 -2.225 1
1 593 . 14 1 1 A 57 57 ALA C C 57 175.178 174.731 0.447 1
1 594 . 14 1 1 A 58 58 GLU N N 58 120.950 120.303 0.647 1
1 595 . 14 1 1 A 58 58 GLU H H 58 8.202 8.972 -0.770 1
1 596 . 14 1 1 A 58 58 GLU CA C 58 55.505 55.111 0.394 1
1 597 . 14 1 1 A 58 58 GLU HA H 58 4.509 5.089 -0.580 1
1 598 . 14 1 1 A 58 58 GLU CB C 58 32.301 33.032 -0.731 1
1 602 . 14 1 1 A 58 58 GLU C C 58 175.025 175.246 -0.221 1
1 605 . 14 1 1 A 59 59 ILE N N 59 122.574 126.234 -3.660 1
1 606 . 14 1 1 A 59 59 ILE H H 59 8.578 9.059 -0.481 1
1 607 . 14 1 1 A 59 59 ILE CA C 59 60.355 60.142 0.213 1
1 608 . 14 1 1 A 59 59 ILE HA H 59 4.954 4.533 0.421 1
1 609 . 14 1 1 A 59 59 ILE CB C 59 38.374 38.371 0.003 1
1 621 . 14 1 1 A 59 59 ILE C C 59 175.709 175.560 0.149 1
1 623 . 14 1 1 A 60 60 VAL N N 60 129.074 128.897 0.177 1
1 624 . 14 1 1 A 60 60 VAL H H 60 9.543 8.868 0.675 1
1 625 . 14 1 1 A 60 60 VAL CA C 60 58.472 61.030 -2.558 1
1 626 . 14 1 1 A 60 60 VAL HA H 60 4.737 4.068 0.669 1
1 627 . 14 1 1 A 60 60 VAL CB C 60 34.522 32.404 2.118 1
1 637 . 14 1 1 A 60 60 VAL C C 60 174.024 175.114 -1.090 1
1 638 . 14 1 1 A 61 61 PRO CA C 61 63.313 62.173 1.140 1
1 639 . 14 1 1 A 61 61 PRO HA H 61 4.611 4.693 -0.082 1
1 640 . 14 1 1 A 61 61 PRO CB C 61 32.270 29.185 3.085 1
1 646 . 14 1 1 A 61 61 PRO C C 61 177.388 177.541 -0.153 1
1 650 . 14 1 1 A 62 62 MET N N 62 122.153 123.142 -0.989 1
1 651 . 14 1 1 A 62 62 MET H H 62 7.843 8.502 -0.659 1
1 652 . 14 1 1 A 62 62 MET CA C 62 53.470 58.109 -4.639 1
1 653 . 14 1 1 A 62 62 MET HA H 62 4.765 4.120 0.645 1
1 654 . 14 1 1 A 62 62 MET CB C 62 33.144 32.762 0.382 1
1 662 . 14 1 1 A 62 62 MET C C 62 175.742 176.094 -0.352 1
1 665 . 14 1 1 A 63 63 GLY N N 63 109.196 107.175 2.021 1
1 666 . 14 1 1 A 63 63 GLY H H 63 7.757 7.732 0.025 1
1 667 . 14 1 1 A 63 63 GLY CA C 63 44.092 45.372 -1.280 1
1 668 . 14 1 1 A 63 63 GLY HA3 H 63 4.193 4.018 0.175 1
1 669 . 14 1 1 A 63 63 GLY C C 63 173.451 173.583 -0.132 1
1 670 . 14 1 1 A 63 63 GLY HA2 H 63 3.757 4.016 -0.259 1
1 671 . 14 1 1 A 64 64 LYS CA C 64 58.104 54.187 3.917 1
1 672 . 14 1 1 A 64 64 LYS HA H 64 3.994 4.738 -0.744 1
1 673 . 14 1 1 A 64 64 LYS CB C 64 31.766 35.010 -3.244 1
1 681 . 14 1 1 A 64 64 LYS C C 64 177.657 177.082 0.575 1
1 686 . 14 1 1 A 65 65 ASN N N 65 117.648 117.610 0.038 1
1 687 . 14 1 1 A 65 65 ASN H H 65 8.860 8.996 -0.136 1
1 688 . 14 1 1 A 65 65 ASN CA C 65 54.222 55.408 -1.186 1
1 689 . 14 1 1 A 65 65 ASN HA H 65 4.587 4.463 0.124 1
1 690 . 14 1 1 A 65 65 ASN CB C 65 38.313 37.628 0.685 1
1 695 . 14 1 1 A 65 65 ASN C C 65 173.302 176.109 -2.807 1
1 697 . 14 1 1 A 66 66 SER N N 66 112.701 115.919 -3.218 1
1 698 . 14 1 1 A 66 66 SER H H 66 7.367 7.769 -0.402 1
1 699 . 14 1 1 A 66 66 SER CA C 66 57.766 59.298 -1.532 1
1 700 . 14 1 1 A 66 66 SER HA H 66 5.112 4.459 0.653 1
1 701 . 14 1 1 A 66 66 SER CB C 66 65.000 63.813 1.187 1
1 703 . 14 1 1 A 66 66 SER C C 66 172.793 173.588 -0.795 1
1 705 . 14 1 1 A 67 67 HIS N N 67 124.096 122.414 1.682 1
1 706 . 14 1 1 A 67 67 HIS H H 67 8.735 8.551 0.184 1
1 707 . 14 1 1 A 67 67 HIS CA C 67 55.123 54.560 0.563 1
1 708 . 14 1 1 A 67 67 HIS HA H 67 4.975 5.214 -0.239 1
1 709 . 14 1 1 A 67 67 HIS CB C 67 34.914 33.141 1.773 1
1 715 . 14 1 1 A 67 67 HIS C C 67 173.884 173.561 0.323 1
1 717 . 14 1 1 A 68 68 CYS N N 68 122.598 122.378 0.220 1
1 718 . 14 1 1 A 68 68 CYS H H 68 9.333 8.632 0.701 1
1 719 . 14 1 1 A 68 68 CYS CA C 68 56.907 56.938 -0.031 1
1 720 . 14 1 1 A 68 68 CYS HA H 68 5.311 4.890 0.421 1
1 721 . 14 1 1 A 68 68 CYS CB C 68 29.314 29.461 -0.147 1
1 723 . 14 1 1 A 68 68 CYS C C 68 173.554 173.047 0.507 1
1 725 . 14 1 1 A 69 69 VAL N N 69 128.613 127.087 1.526 1
1 726 . 14 1 1 A 69 69 VAL H H 69 9.074 9.100 -0.026 1
1 727 . 14 1 1 A 69 69 VAL CA C 69 61.632 61.749 -0.117 1
1 728 . 14 1 1 A 69 69 VAL HA H 69 4.725 4.776 -0.051 1
1 729 . 14 1 1 A 69 69 VAL CB C 69 32.387 32.709 -0.322 1
1 739 . 14 1 1 A 69 69 VAL C C 69 174.230 175.182 -0.952 1
1 740 . 14 1 1 A 70 70 ARG N N 70 128.053 127.023 1.030 1
1 741 . 14 1 1 A 70 70 ARG H H 70 9.052 8.465 0.587 1
1 742 . 14 1 1 A 70 70 ARG CA C 70 54.797 54.710 0.087 1
1 743 . 14 1 1 A 70 70 ARG HA H 70 5.761 5.044 0.717 1
1 744 . 14 1 1 A 70 70 ARG CB C 70 34.395 32.615 1.780 1
1 751 . 14 1 1 A 70 70 ARG C C 70 175.918 175.133 0.785 1
1 755 . 14 1 1 A 71 71 PHE N N 71 122.942 119.377 3.565 1
1 756 . 14 1 1 A 71 71 PHE H H 71 8.702 7.875 0.827 1
1 757 . 14 1 1 A 71 71 PHE CA C 71 55.748 56.188 -0.440 1
1 758 . 14 1 1 A 71 71 PHE HA H 71 4.936 5.122 -0.186 1
1 759 . 14 1 1 A 71 71 PHE CB C 71 41.245 40.940 0.305 1
1 771 . 14 1 1 A 71 71 PHE C C 71 171.709 172.125 -0.416 1
1 773 . 14 1 1 A 72 72 VAL N N 72 122.214 120.425 1.789 1
1 774 . 14 1 1 A 72 72 VAL H H 72 8.512 8.945 -0.433 1
1 775 . 14 1 1 A 72 72 VAL CA C 72 58.398 59.465 -1.067 1
1 776 . 14 1 1 A 72 72 VAL HA H 72 4.752 4.882 -0.130 1
1 777 . 14 1 1 A 72 72 VAL CB C 72 32.747 32.211 0.536 1
1 787 . 14 1 1 A 72 72 VAL C C 72 174.416 175.169 -0.753 1
1 788 . 14 1 1 A 73 73 PRO CA C 73 62.606 62.721 -0.115 1
1 789 . 14 1 1 A 73 73 PRO HA H 73 4.646 5.080 -0.434 1
1 790 . 14 1 1 A 73 73 PRO CB C 73 33.679 29.865 3.814 1
1 796 . 14 1 1 A 73 73 PRO C C 73 176.757 175.341 1.416 1
1 800 . 14 1 1 A 74 74 GLN N N 74 119.992 123.450 -3.458 1
1 801 . 14 1 1 A 74 74 GLN H H 74 9.869 8.597 1.272 1
1 802 . 14 1 1 A 74 74 GLN CA C 74 55.156 54.978 0.178 1
1 803 . 14 1 1 A 74 74 GLN HA H 74 4.602 5.180 -0.578 1
1 804 . 14 1 1 A 74 74 GLN CB C 74 31.405 31.423 -0.018 1
1 811 . 14 1 1 A 74 74 GLN C C 74 174.987 174.587 0.400 1
1 814 . 14 1 1 A 75 75 GLU N N 75 119.264 125.168 -5.904 1
1 815 . 14 1 1 A 75 75 GLU H H 75 8.009 8.953 -0.944 1
1 816 . 14 1 1 A 75 75 GLU CA C 75 54.138 54.189 -0.051 1
1 817 . 14 1 1 A 75 75 GLU HA H 75 4.657 4.727 -0.070 1
1 818 . 14 1 1 A 75 75 GLU CB C 75 34.046 33.214 0.832 1
1 822 . 14 1 1 A 75 75 GLU C C 75 173.922 176.017 -2.095 1
1 825 . 14 1 1 A 76 76 MET N N 76 117.176 119.214 -2.038 1
1 826 . 14 1 1 A 76 76 MET H H 76 8.450 8.618 -0.168 1
1 827 . 14 1 1 A 76 76 MET CA C 76 55.468 55.715 -0.247 1
1 828 . 14 1 1 A 76 76 MET HA H 76 4.275 4.825 -0.550 1
1 829 . 14 1 1 A 76 76 MET CB C 76 34.487 33.396 1.091 1
1 837 . 14 1 1 A 76 76 MET C C 76 175.964 176.071 -0.107 1
1 840 . 14 1 1 A 77 77 GLY N N 77 106.906 106.328 0.578 1
1 841 . 14 1 1 A 77 77 GLY H H 77 9.058 7.672 1.386 1
1 842 . 14 1 1 A 77 77 GLY CA C 77 43.832 46.003 -2.171 1
1 843 . 14 1 1 A 77 77 GLY HA3 H 77 3.944 4.152 -0.208 1
1 844 . 14 1 1 A 77 77 GLY C C 77 176.459 172.087 4.372 1
1 845 . 14 1 1 A 77 77 GLY HA2 H 77 4.787 4.121 0.666 1
1 846 . 14 1 1 A 78 78 VAL N N 78 125.184 122.578 2.606 1
1 847 . 14 1 1 A 78 78 VAL H H 78 9.293 8.323 0.970 1
1 848 . 14 1 1 A 78 78 VAL CA C 78 64.999 60.515 4.484 1
1 849 . 14 1 1 A 78 78 VAL HA H 78 4.178 4.622 -0.444 1
1 850 . 14 1 1 A 78 78 VAL CB C 78 31.558 33.587 -2.029 1
1 860 . 14 1 1 A 78 78 VAL C C 78 175.942 173.718 2.224 1
1 861 . 14 1 1 A 79 79 HIS N N 79 128.345 126.575 1.770 1
1 862 . 14 1 1 A 79 79 HIS H H 79 9.553 8.725 0.828 1
1 863 . 14 1 1 A 79 79 HIS CA C 79 55.063 54.643 0.420 1
1 864 . 14 1 1 A 79 79 HIS HA H 79 4.798 5.023 -0.225 1
1 865 . 14 1 1 A 79 79 HIS CB C 79 31.489 30.893 0.596 1
1 871 . 14 1 1 A 79 79 HIS C C 79 174.069 174.133 -0.064 1
1 873 . 14 1 1 A 80 80 THR N N 80 114.672 116.499 -1.827 1
1 874 . 14 1 1 A 80 80 THR H H 80 8.452 8.693 -0.241 1
1 875 . 14 1 1 A 80 80 THR CA C 80 61.075 61.641 -0.566 1
1 876 . 14 1 1 A 80 80 THR HA H 80 5.213 5.055 0.158 1
1 877 . 14 1 1 A 80 80 THR CB C 80 70.795 71.827 -1.032 1
1 883 . 14 1 1 A 80 80 THR C C 80 173.863 173.152 0.711 1
1 884 . 14 1 1 A 81 81 VAL N N 81 127.546 128.593 -1.047 1
1 885 . 14 1 1 A 81 81 VAL H H 81 9.701 9.126 0.575 1
1 886 . 14 1 1 A 81 81 VAL CA C 81 60.799 61.295 -0.496 1
1 887 . 14 1 1 A 81 81 VAL HA H 81 4.782 4.515 0.267 1
1 888 . 14 1 1 A 81 81 VAL CB C 81 33.635 33.366 0.269 1
1 898 . 14 1 1 A 81 81 VAL C C 81 174.707 174.582 0.125 1
1 899 . 14 1 1 A 82 82 SER N N 82 123.308 122.754 0.554 1
1 900 . 14 1 1 A 82 82 SER H H 82 9.104 9.312 -0.208 1
1 901 . 14 1 1 A 82 82 SER CA C 82 56.981 56.983 -0.002 1
1 902 . 14 1 1 A 82 82 SER HA H 82 5.108 4.970 0.138 1
1 903 . 14 1 1 A 82 82 SER CB C 82 64.728 64.242 0.486 1
1 905 . 14 1 1 A 82 82 SER C C 82 173.688 173.126 0.562 1
1 907 . 14 1 1 A 83 83 VAL N N 83 129.049 127.881 1.168 1
1 908 . 14 1 1 A 83 83 VAL H H 83 9.925 8.878 1.047 1
1 909 . 14 1 1 A 83 83 VAL CA C 83 61.669 61.590 0.079 1
1 910 . 14 1 1 A 83 83 VAL HA H 83 4.897 4.957 -0.060 1
1 911 . 14 1 1 A 83 83 VAL CB C 83 33.590 32.520 1.070 1
1 921 . 14 1 1 A 83 83 VAL C C 83 174.094 175.474 -1.380 1
1 922 . 14 1 1 A 84 84 LYS N N 84 123.792 127.179 -3.387 1
1 923 . 14 1 1 A 84 84 LYS H H 84 8.768 8.675 0.093 1
1 924 . 14 1 1 A 84 84 LYS CA C 84 54.435 54.303 0.132 1
1 925 . 14 1 1 A 84 84 LYS HA H 84 5.153 5.065 0.088 1
1 926 . 14 1 1 A 84 84 LYS CB C 84 37.608 35.653 1.955 1
1 934 . 14 1 1 A 84 84 LYS C C 84 174.908 174.752 0.156 1
1 939 . 14 1 1 A 85 85 TYR N N 85 120.439 122.768 -2.329 1
1 940 . 14 1 1 A 85 85 TYR H H 85 8.926 9.328 -0.402 1
1 941 . 14 1 1 A 85 85 TYR CA C 85 56.005 57.526 -1.521 1
1 942 . 14 1 1 A 85 85 TYR HA H 85 4.938 4.885 0.053 1
1 943 . 14 1 1 A 85 85 TYR CB C 85 41.386 41.150 0.236 1
1 953 . 14 1 1 A 85 85 TYR C C 85 175.255 174.922 0.333 1
1 955 . 14 1 1 A 86 86 ARG N N 86 127.150 128.418 -1.268 1
1 956 . 14 1 1 A 86 86 ARG H H 86 9.115 9.490 -0.375 1
1 957 . 14 1 1 A 86 86 ARG CA C 86 57.122 57.004 0.118 1
1 958 . 14 1 1 A 86 86 ARG HA H 86 3.659 3.758 -0.099 1
1 959 . 14 1 1 A 86 86 ARG CB C 86 27.563 27.462 0.101 1
1 965 . 14 1 1 A 86 86 ARG C C 86 176.482 176.272 0.210 1
1 969 . 14 1 1 A 87 87 GLY N N 87 102.394 104.821 -2.427 1
1 970 . 14 1 1 A 87 87 GLY H H 87 8.564 8.545 0.019 1
1 971 . 14 1 1 A 87 87 GLY CA C 87 45.388 46.228 -0.840 1
1 972 . 14 1 1 A 87 87 GLY HA3 H 87 4.099 3.871 0.228 1
1 973 . 14 1 1 A 87 87 GLY C C 87 173.631 173.505 0.126 1
1 974 . 14 1 1 A 87 87 GLY HA2 H 87 3.460 3.860 -0.400 1
1 975 . 14 1 1 A 88 88 GLN N N 88 119.060 114.874 4.186 1
1 976 . 14 1 1 A 88 88 GLN H H 88 7.665 7.511 0.154 1
1 977 . 14 1 1 A 88 88 GLN CA C 88 53.265 54.474 -1.209 1
1 978 . 14 1 1 A 88 88 GLN HA H 88 4.749 4.806 -0.057 1
1 979 . 14 1 1 A 88 88 GLN CB C 88 31.383 32.077 -0.694 1
1 986 . 14 1 1 A 88 88 GLN C C 88 175.689 174.418 1.271 1
1 989 . 14 1 1 A 89 89 HIS N N 89 123.344 122.815 0.529 1
1 990 . 14 1 1 A 89 89 HIS H H 89 8.789 8.907 -0.118 1
1 991 . 14 1 1 A 89 89 HIS CA C 89 59.011 57.456 1.555 1
1 992 . 14 1 1 A 89 89 HIS HA H 89 4.546 4.614 -0.068 1
1 993 . 14 1 1 A 89 89 HIS CB C 89 32.365 29.838 2.527 1
1 999 . 14 1 1 A 89 89 HIS C C 89 178.152 175.557 2.595 1
1 1001 . 14 1 1 A 90 90 VAL N N 90 117.749 122.827 -5.078 1
1 1002 . 14 1 1 A 90 90 VAL H H 90 8.436 8.363 0.073 1
1 1003 . 14 1 1 A 90 90 VAL CA C 90 60.473 62.275 -1.802 1
1 1004 . 14 1 1 A 90 90 VAL HA H 90 4.535 4.068 0.467 1
1 1005 . 14 1 1 A 90 90 VAL CB C 90 32.489 33.440 -0.951 1
1 1015 . 14 1 1 A 90 90 VAL C C 90 176.018 175.324 0.694 1
1 1016 . 14 1 1 A 91 91 THR N N 91 118.099 116.512 1.587 1
1 1017 . 14 1 1 A 91 91 THR H H 91 8.491 8.449 0.042 1
1 1018 . 14 1 1 A 91 91 THR CA C 91 65.519 65.058 0.461 1
1 1019 . 14 1 1 A 91 91 THR HA H 91 3.924 3.817 0.107 1
1 1020 . 14 1 1 A 91 91 THR CB C 91 68.972 68.755 0.217 1
1 1026 . 14 1 1 A 91 91 THR C C 91 174.771 175.939 -1.168 1
1 1027 . 14 1 1 A 92 92 GLY N N 92 116.032 114.514 1.518 1
1 1028 . 14 1 1 A 92 92 GLY H H 92 8.563 8.978 -0.415 1
1 1029 . 14 1 1 A 92 92 GLY CA C 92 44.842 46.683 -1.841 1
1 1030 . 14 1 1 A 92 92 GLY HA3 H 92 4.213 3.858 0.355 1
1 1031 . 14 1 1 A 92 92 GLY C C 92 172.199 173.419 -1.220 1
1 1032 . 14 1 1 A 92 92 GLY HA2 H 92 3.361 3.758 -0.397 1
1 1033 . 14 1 1 A 93 93 SER N N 93 113.106 115.405 -2.299 1
1 1034 . 14 1 1 A 93 93 SER H H 93 7.806 7.332 0.474 1
1 1035 . 14 1 1 A 93 93 SER CA C 93 54.600 54.358 0.242 1
1 1036 . 14 1 1 A 93 93 SER HA H 93 4.159 4.023 0.136 1
1 1037 . 14 1 1 A 93 93 SER CB C 93 62.787 65.269 -2.482 1
1 1039 . 14 1 1 A 93 93 SER C C 93 174.123 172.640 1.483 1
1 1041 . 14 1 1 A 94 94 PRO CA C 94 62.619 62.211 0.408 1
1 1042 . 14 1 1 A 94 94 PRO HA H 94 5.537 4.534 1.003 1
1 1043 . 14 1 1 A 94 94 PRO CB C 94 34.521 33.078 1.443 1
1 1049 . 14 1 1 A 94 94 PRO C C 94 176.046 174.872 1.174 1
1 1053 . 14 1 1 A 95 95 PHE N N 95 120.547 119.644 0.903 1
1 1054 . 14 1 1 A 95 95 PHE H H 95 9.127 8.421 0.706 1
1 1055 . 14 1 1 A 95 95 PHE CA C 95 56.700 56.680 0.020 1
1 1056 . 14 1 1 A 95 95 PHE HA H 95 4.844 5.063 -0.219 1
1 1057 . 14 1 1 A 95 95 PHE CB C 95 41.285 40.995 0.290 1
1 1069 . 14 1 1 A 95 95 PHE C C 95 175.219 174.960 0.259 1
1 1071 . 14 1 1 A 96 96 GLN N N 96 120.382 125.529 -5.147 1
1 1072 . 14 1 1 A 96 96 GLN H H 96 8.896 9.076 -0.180 1
1 1073 . 14 1 1 A 96 96 GLN CA C 96 55.028 55.645 -0.617 1
1 1074 . 14 1 1 A 96 96 GLN HA H 96 5.440 4.784 0.656 1
1 1075 . 14 1 1 A 96 96 GLN CB C 96 31.867 29.867 2.000 1
1 1082 . 14 1 1 A 96 96 GLN C C 96 175.480 175.321 0.159 1
1 1085 . 14 1 1 A 97 97 PHE N N 97 121.331 121.370 -0.039 1
1 1086 . 14 1 1 A 97 97 PHE H H 97 8.822 8.631 0.191 1
1 1087 . 14 1 1 A 97 97 PHE CA C 97 56.931 56.274 0.657 1
1 1088 . 14 1 1 A 97 97 PHE HA H 97 4.960 5.199 -0.239 1
1 1089 . 14 1 1 A 97 97 PHE CB C 97 42.133 41.842 0.291 1
1 1101 . 14 1 1 A 97 97 PHE C C 97 173.780 172.124 1.656 1
1 1103 . 14 1 1 A 98 98 THR N N 98 121.160 116.359 4.801 1
1 1104 . 14 1 1 A 98 98 THR H H 98 8.907 8.752 0.155 1
1 1105 . 14 1 1 A 98 98 THR CA C 98 63.381 61.757 1.624 1
1 1106 . 14 1 1 A 98 98 THR HA H 98 4.487 4.941 -0.454 1
1 1107 . 14 1 1 A 98 98 THR CB C 98 69.599 70.366 -0.767 1
1 1113 . 14 1 1 A 98 98 THR C C 98 173.058 174.071 -1.013 1
1 1114 . 14 1 1 A 99 99 VAL N N 99 128.111 125.745 2.366 1
1 1115 . 14 1 1 A 99 99 VAL H H 99 8.240 8.830 -0.590 1
1 1116 . 14 1 1 A 99 99 VAL CA C 99 61.670 60.611 1.059 1
1 1117 . 14 1 1 A 99 99 VAL HA H 99 4.271 4.702 -0.431 1
1 1118 . 14 1 1 A 99 99 VAL CB C 99 32.962 34.402 -1.440 1
1 1128 . 14 1 1 A 99 99 VAL C C 99 176.689 175.487 1.202 1
1 1129 . 14 1 1 A 100 100 GLY N N 100 118.412 114.052 4.360 1
1 1130 . 14 1 1 A 100 100 GLY H H 100 8.946 8.481 0.465 1
1 1131 . 14 1 1 A 100 100 GLY CA C 100 44.504 44.752 -0.248 1
1 1132 . 14 1 1 A 100 100 GLY HA3 H 100 4.506 4.018 0.488 1
1 1133 . 14 1 1 A 100 100 GLY C C 100 170.474 173.247 -2.773 1
1 1134 . 14 1 1 A 100 100 GLY HA2 H 100 4.136 4.017 0.119 1
1 1135 . 14 1 1 A 101 101 PRO CA C 101 62.588 62.266 0.322 1
1 1136 . 14 1 1 A 101 101 PRO HA H 101 4.525 4.585 -0.060 1
1 1137 . 14 1 1 A 101 101 PRO CB C 101 32.641 32.960 -0.319 1
1 1143 . 14 1 1 A 101 101 PRO C C 101 176.696 176.389 0.307 1
1 1147 . 14 1 1 A 102 102 LEU N N 102 121.326 122.529 -1.203 1
1 1148 . 14 1 1 A 102 102 LEU H H 102 8.374 8.376 -0.002 1
1 1149 . 14 1 1 A 102 102 LEU CA C 102 55.855 56.414 -0.559 1
1 1150 . 14 1 1 A 102 102 LEU HA H 102 4.221 4.057 0.164 1
1 1151 . 14 1 1 A 102 102 LEU CB C 102 42.652 42.040 0.612 1
1 1163 . 14 1 1 A 102 102 LEU C C 102 178.005 177.323 0.682 1
1 1165 . 14 1 1 A 103 103 GLY N N 103 110.870 109.881 0.989 1
1 1166 . 14 1 1 A 103 103 GLY H H 103 8.481 8.531 -0.050 1
1 1167 . 14 1 1 A 103 103 GLY CA C 103 45.208 45.104 0.104 1
1 1168 . 14 1 1 A 103 103 GLY HA3 H 103 3.927 4.027 -0.100 1
1 1169 . 14 1 1 A 103 103 GLY C C 103 174.126 173.751 0.375 1
1 1170 . 14 1 1 A 103 103 GLY HA2 H 103 3.991 4.027 -0.036 1
1 1171 . 14 1 1 A 104 104 GLU N N 104 120.771 124.742 -3.971 1
1 1172 . 14 1 1 A 104 104 GLU H H 104 8.308 8.405 -0.097 1
1 1173 . 14 1 1 A 104 104 GLU CA C 104 56.713 56.887 -0.174 1
1 1174 . 14 1 1 A 104 104 GLU HA H 104 4.318 4.509 -0.191 1
1 1175 . 14 1 1 A 104 104 GLU CB C 104 30.470 30.996 -0.526 1
1 1179 . 14 1 1 A 104 104 GLU C C 104 177.052 176.277 0.775 1
1 1182 . 14 1 1 A 105 105 GLY N N 105 110.589 112.983 -2.394 1
1 1183 . 14 1 1 A 105 105 GLY H H 105 8.546 8.306 0.240 1
1 1184 . 14 1 1 A 105 105 GLY CA C 105 45.256 45.381 -0.125 1
1 1185 . 14 1 1 A 105 105 GLY HA3 H 105 3.925 4.118 -0.193 1
1 1186 . 14 1 1 A 105 105 GLY C C 105 173.795 173.287 0.508 1
1 1187 . 14 1 1 A 105 105 GLY HA2 H 105 3.992 4.116 -0.124 1
1 1 . 15 1 1 A 7 7 GLY CA C 7 45.415 45.752 -0.337 1
1 2 . 15 1 1 A 7 7 GLY HA3 H 7 3.972 3.981 -0.009 1
1 3 . 15 1 1 A 7 7 GLY C C 7 174.102 174.347 -0.245 1
1 4 . 15 1 1 A 7 7 GLY HA2 H 7 3.972 3.981 -0.009 1
1 5 . 15 1 1 A 8 8 ARG N N 8 120.724 124.236 -3.512 1
1 6 . 15 1 1 A 8 8 ARG H H 8 8.124 8.499 -0.375 1
1 7 . 15 1 1 A 8 8 ARG CA C 8 56.123 56.325 -0.202 1
1 8 . 15 1 1 A 8 8 ARG HA H 8 4.363 4.177 0.186 1
1 9 . 15 1 1 A 8 8 ARG CB C 8 30.881 30.485 0.396 1
1 15 . 15 1 1 A 8 8 ARG C C 8 176.487 175.828 0.659 1
1 19 . 15 1 1 A 9 9 VAL N N 9 121.839 121.421 0.418 1
1 20 . 15 1 1 A 9 9 VAL H H 9 8.204 8.211 -0.007 1
1 21 . 15 1 1 A 9 9 VAL CA C 9 62.438 62.832 -0.394 1
1 22 . 15 1 1 A 9 9 VAL HA H 9 4.081 4.119 -0.038 1
1 23 . 15 1 1 A 9 9 VAL CB C 9 32.773 30.056 2.717 1
1 33 . 15 1 1 A 9 9 VAL C C 9 176.204 175.485 0.719 1
1 34 . 15 1 1 A 10 10 LYS N N 10 125.552 126.573 -1.021 1
1 35 . 15 1 1 A 10 10 LYS H H 10 8.437 8.145 0.292 1
1 36 . 15 1 1 A 10 10 LYS CA C 10 56.575 55.051 1.524 1
1 37 . 15 1 1 A 10 10 LYS HA H 10 4.280 4.795 -0.515 1
1 38 . 15 1 1 A 10 10 LYS CB C 10 33.046 35.366 -2.320 1
1 46 . 15 1 1 A 10 10 LYS C C 10 176.486 175.550 0.936 1
1 51 . 15 1 1 A 11 11 GLU N N 11 122.741 123.917 -1.176 1
1 52 . 15 1 1 A 11 11 GLU H H 11 8.490 9.023 -0.533 1
1 53 . 15 1 1 A 11 11 GLU CA C 11 56.717 56.503 0.214 1
1 54 . 15 1 1 A 11 11 GLU HA H 11 4.303 4.310 -0.007 1
1 55 . 15 1 1 A 11 11 GLU CB C 11 30.422 28.936 1.486 1
1 59 . 15 1 1 A 11 11 GLU C C 11 176.428 175.925 0.503 1
1 62 . 15 1 1 A 12 12 SER N N 12 117.227 115.901 1.326 1
1 63 . 15 1 1 A 12 12 SER H H 12 8.434 7.782 0.652 1
1 64 . 15 1 1 A 12 12 SER CA C 12 58.340 57.150 1.190 1
1 65 . 15 1 1 A 12 12 SER HA H 12 4.477 4.599 -0.122 1
1 66 . 15 1 1 A 12 12 SER CB C 12 63.670 63.939 -0.269 1
1 68 . 15 1 1 A 12 12 SER C C 12 174.574 175.329 -0.755 1
1 70 . 15 1 1 A 13 13 ILE N N 13 122.704 121.777 0.927 1
1 71 . 15 1 1 A 13 13 ILE H H 13 8.189 8.534 -0.345 1
1 72 . 15 1 1 A 13 13 ILE CA C 13 61.364 60.714 0.650 1
1 73 . 15 1 1 A 13 13 ILE HA H 13 4.270 4.575 -0.305 1
1 74 . 15 1 1 A 13 13 ILE CB C 13 38.870 38.576 0.294 1
1 86 . 15 1 1 A 13 13 ILE C C 13 176.445 176.232 0.213 1
1 88 . 15 1 1 A 14 14 THR N N 14 118.671 116.344 2.327 1
1 89 . 15 1 1 A 14 14 THR H H 14 8.265 7.736 0.529 1
1 90 . 15 1 1 A 14 14 THR CA C 14 62.080 62.503 -0.423 1
1 91 . 15 1 1 A 14 14 THR HA H 14 4.338 4.446 -0.108 1
1 92 . 15 1 1 A 14 14 THR CB C 14 69.779 69.106 0.673 1
1 98 . 15 1 1 A 14 14 THR C C 14 174.465 174.798 -0.333 1
1 99 . 15 1 1 A 15 15 ARG N N 15 124.132 122.932 1.200 1
1 100 . 15 1 1 A 15 15 ARG H H 15 8.428 7.646 0.782 1
1 101 . 15 1 1 A 15 15 ARG CA C 15 56.221 55.033 1.188 1
1 102 . 15 1 1 A 15 15 ARG HA H 15 4.447 4.454 -0.007 1
1 103 . 15 1 1 A 15 15 ARG CB C 15 30.949 29.249 1.700 1
1 109 . 15 1 1 A 15 15 ARG C C 15 176.374 174.783 1.591 1
1 113 . 15 1 1 A 16 16 THR N N 16 115.339 117.024 -1.685 1
1 114 . 15 1 1 A 16 16 THR H H 16 8.232 7.531 0.701 1
1 115 . 15 1 1 A 16 16 THR CA C 16 61.828 59.330 2.498 1
1 116 . 15 1 1 A 16 16 THR HA H 16 4.389 4.769 -0.380 1
1 117 . 15 1 1 A 16 16 THR CB C 16 69.896 71.234 -1.338 1
1 123 . 15 1 1 A 16 16 THR C C 16 174.518 173.312 1.206 1
1 124 . 15 1 1 A 17 17 SER N N 17 118.278 120.239 -1.961 1
1 125 . 15 1 1 A 17 17 SER H H 17 8.331 8.561 -0.230 1
1 126 . 15 1 1 A 17 17 SER CA C 17 58.326 59.915 -1.589 1
1 127 . 15 1 1 A 17 17 SER HA H 17 4.500 4.630 -0.130 1
1 128 . 15 1 1 A 17 17 SER CB C 17 63.918 64.737 -0.819 1
1 130 . 15 1 1 A 17 17 SER C C 17 174.172 173.745 0.427 1
1 132 . 15 1 1 A 18 18 ARG N N 18 122.935 118.462 4.473 1
1 133 . 15 1 1 A 18 18 ARG H H 18 8.376 7.940 0.436 1
1 134 . 15 1 1 A 18 18 ARG CA C 18 55.772 54.196 1.576 1
1 135 . 15 1 1 A 18 18 ARG HA H 18 4.386 4.777 -0.391 1
1 136 . 15 1 1 A 18 18 ARG CB C 18 31.073 31.918 -0.845 1
1 142 . 15 1 1 A 18 18 ARG C C 18 175.493 175.740 -0.247 1
1 146 . 15 1 1 A 19 19 ALA N N 19 126.804 124.453 2.351 1
1 147 . 15 1 1 A 19 19 ALA H H 19 8.357 8.584 -0.227 1
1 148 . 15 1 1 A 19 19 ALA CA C 19 50.553 51.036 -0.483 1
1 149 . 15 1 1 A 19 19 ALA HA H 19 4.585 4.492 0.093 1
1 150 . 15 1 1 A 19 19 ALA CB C 19 18.208 18.360 -0.152 1
1 154 . 15 1 1 A 19 19 ALA C C 19 175.408 177.672 -2.264 1
1 155 . 15 1 1 A 20 20 PRO CA C 20 63.352 63.510 -0.158 1
1 156 . 15 1 1 A 20 20 PRO HA H 20 4.455 4.454 0.001 1
1 157 . 15 1 1 A 20 20 PRO CB C 20 32.196 32.125 0.071 1
1 163 . 15 1 1 A 20 20 PRO C C 20 176.846 177.301 -0.455 1
1 167 . 15 1 1 A 21 21 SER N N 21 116.414 114.469 1.945 1
1 168 . 15 1 1 A 21 21 SER H H 21 8.449 8.169 0.280 1
1 169 . 15 1 1 A 21 21 SER CA C 21 58.507 59.583 -1.076 1
1 170 . 15 1 1 A 21 21 SER HA H 21 4.475 4.109 0.366 1
1 171 . 15 1 1 A 21 21 SER CB C 21 63.851 61.921 1.930 1
1 173 . 15 1 1 A 21 21 SER C C 21 174.344 173.782 0.562 1
1 175 . 15 1 1 A 22 22 VAL N N 22 120.580 116.100 4.480 1
1 176 . 15 1 1 A 22 22 VAL H H 22 8.110 7.738 0.372 1
1 177 . 15 1 1 A 22 22 VAL CA C 22 61.788 60.478 1.310 1
1 178 . 15 1 1 A 22 22 VAL HA H 22 4.293 4.574 -0.281 1
1 179 . 15 1 1 A 22 22 VAL CB C 22 33.445 33.053 0.392 1
1 189 . 15 1 1 A 22 22 VAL C C 22 175.160 175.212 -0.052 1
1 190 . 15 1 1 A 23 23 ALA N N 23 127.788 126.315 1.473 1
1 191 . 15 1 1 A 23 23 ALA H H 23 8.428 8.776 -0.348 1
1 192 . 15 1 1 A 23 23 ALA CA C 23 51.790 51.748 0.042 1
1 193 . 15 1 1 A 23 23 ALA HA H 23 4.594 4.872 -0.278 1
1 194 . 15 1 1 A 23 23 ALA CB C 23 21.050 23.324 -2.274 1
1 198 . 15 1 1 A 23 23 ALA C C 23 176.198 175.034 1.164 1
1 199 . 15 1 1 A 24 24 THR N N 24 115.139 113.192 1.947 1
1 200 . 15 1 1 A 24 24 THR H H 24 8.338 8.624 -0.286 1
1 201 . 15 1 1 A 24 24 THR CA C 24 60.519 60.171 0.348 1
1 202 . 15 1 1 A 24 24 THR HA H 24 4.674 4.849 -0.175 1
1 203 . 15 1 1 A 24 24 THR CB C 24 72.048 71.394 0.654 1
1 209 . 15 1 1 A 24 24 THR C C 24 173.979 171.905 2.074 1
1 210 . 15 1 1 A 25 25 VAL N N 25 122.772 122.819 -0.047 1
1 211 . 15 1 1 A 25 25 VAL H H 25 8.002 8.884 -0.882 1
1 212 . 15 1 1 A 25 25 VAL CA C 25 64.582 59.720 4.862 1
1 213 . 15 1 1 A 25 25 VAL HA H 25 3.280 4.643 -1.363 1
1 214 . 15 1 1 A 25 25 VAL CB C 25 32.102 34.552 -2.450 1
1 224 . 15 1 1 A 25 25 VAL C C 25 176.709 175.387 1.322 1
1 225 . 15 1 1 A 26 26 GLY N N 26 112.345 115.824 -3.479 1
1 226 . 15 1 1 A 26 26 GLY H H 26 8.344 8.796 -0.452 1
1 227 . 15 1 1 A 26 26 GLY CA C 26 45.534 46.357 -0.823 1
1 228 . 15 1 1 A 26 26 GLY HA3 H 26 4.166 3.908 0.258 1
1 229 . 15 1 1 A 26 26 GLY C C 26 173.701 173.518 0.183 1
1 230 . 15 1 1 A 26 26 GLY HA2 H 26 3.519 3.901 -0.382 1
1 231 . 15 1 1 A 27 27 SER N N 27 116.474 111.550 4.924 1
1 232 . 15 1 1 A 27 27 SER H H 27 7.738 7.582 0.156 1
1 233 . 15 1 1 A 27 27 SER CA C 27 57.264 56.564 0.700 1
1 234 . 15 1 1 A 27 27 SER HA H 27 4.692 4.999 -0.307 1
1 235 . 15 1 1 A 27 27 SER CB C 27 65.270 65.843 -0.573 1
1 237 . 15 1 1 A 27 27 SER C C 27 172.491 172.985 -0.494 1
1 239 . 15 1 1 A 28 28 ILE N N 28 122.052 122.118 -0.066 1
1 240 . 15 1 1 A 28 28 ILE H H 28 8.350 8.603 -0.253 1
1 241 . 15 1 1 A 28 28 ILE CA C 28 62.995 61.412 1.583 1
1 242 . 15 1 1 A 28 28 ILE HA H 28 3.693 4.212 -0.519 1
1 243 . 15 1 1 A 28 28 ILE CB C 28 38.221 37.055 1.166 1
1 255 . 15 1 1 A 28 28 ILE C C 28 175.624 174.712 0.912 1
1 257 . 15 1 1 A 29 29 CYS N N 29 129.493 128.119 1.374 1
1 258 . 15 1 1 A 29 29 CYS H H 29 8.730 9.093 -0.363 1
1 259 . 15 1 1 A 29 29 CYS CA C 29 58.201 57.468 0.733 1
1 260 . 15 1 1 A 29 29 CYS HA H 29 4.451 4.986 -0.535 1
1 261 . 15 1 1 A 29 29 CYS CB C 29 28.560 29.220 -0.660 1
1 263 . 15 1 1 A 29 29 CYS C C 29 171.207 173.157 -1.950 1
1 265 . 15 1 1 A 30 30 ASP N N 30 123.789 124.920 -1.131 1
1 266 . 15 1 1 A 30 30 ASP H H 30 8.000 8.854 -0.854 1
1 267 . 15 1 1 A 30 30 ASP CA C 30 52.692 52.863 -0.171 1
1 268 . 15 1 1 A 30 30 ASP HA H 30 5.315 5.336 -0.021 1
1 269 . 15 1 1 A 30 30 ASP CB C 30 43.397 42.055 1.342 1
1 271 . 15 1 1 A 30 30 ASP C C 30 175.569 174.334 1.235 1
1 273 . 15 1 1 A 31 31 LEU N N 31 125.116 126.663 -1.547 1
1 274 . 15 1 1 A 31 31 LEU H H 31 9.147 8.964 0.183 1
1 275 . 15 1 1 A 31 31 LEU CA C 31 53.606 54.134 -0.528 1
1 276 . 15 1 1 A 31 31 LEU HA H 31 4.515 4.729 -0.214 1
1 277 . 15 1 1 A 31 31 LEU CB C 31 43.262 43.355 -0.093 1
1 289 . 15 1 1 A 31 31 LEU C C 31 174.935 175.326 -0.391 1
1 291 . 15 1 1 A 32 32 ASN N N 32 124.687 126.581 -1.894 1
1 292 . 15 1 1 A 32 32 ASN H H 32 8.690 9.041 -0.351 1
1 293 . 15 1 1 A 32 32 ASN CA C 32 53.696 52.612 1.084 1
1 294 . 15 1 1 A 32 32 ASN HA H 32 5.077 5.141 -0.064 1
1 295 . 15 1 1 A 32 32 ASN CB C 32 39.842 39.629 0.213 1
1 300 . 15 1 1 A 32 32 ASN C C 32 174.322 174.165 0.157 1
1 302 . 15 1 1 A 33 33 LEU N N 33 123.838 126.827 -2.989 1
1 303 . 15 1 1 A 33 33 LEU H H 33 8.912 8.434 0.478 1
1 304 . 15 1 1 A 33 33 LEU CA C 33 53.820 53.246 0.574 1
1 305 . 15 1 1 A 33 33 LEU HA H 33 4.638 5.014 -0.376 1
1 306 . 15 1 1 A 33 33 LEU CB C 33 45.587 45.077 0.510 1
1 318 . 15 1 1 A 33 33 LEU C C 33 175.719 175.951 -0.232 1
1 320 . 15 1 1 A 34 34 LYS N N 34 124.925 124.037 0.888 1
1 321 . 15 1 1 A 34 34 LYS H H 34 8.718 8.515 0.203 1
1 322 . 15 1 1 A 34 34 LYS CA C 34 55.079 55.173 -0.094 1
1 323 . 15 1 1 A 34 34 LYS HA H 34 5.036 4.419 0.617 1
1 324 . 15 1 1 A 34 34 LYS CB C 34 32.121 31.065 1.056 1
1 332 . 15 1 1 A 34 34 LYS C C 34 176.081 174.744 1.337 1
1 337 . 15 1 1 A 35 35 ILE N N 35 123.769 125.264 -1.495 1
1 338 . 15 1 1 A 35 35 ILE H H 35 7.935 8.174 -0.239 1
1 339 . 15 1 1 A 35 35 ILE CA C 35 58.161 58.725 -0.564 1
1 340 . 15 1 1 A 35 35 ILE HA H 35 4.612 4.375 0.237 1
1 341 . 15 1 1 A 35 35 ILE CB C 35 40.616 37.863 2.753 1
1 353 . 15 1 1 A 35 35 ILE C C 35 173.405 174.609 -1.204 1
1 355 . 15 1 1 A 36 36 PRO CA C 36 63.143 62.286 0.857 1
1 356 . 15 1 1 A 36 36 PRO HA H 36 4.435 4.609 -0.174 1
1 357 . 15 1 1 A 36 36 PRO CB C 36 32.806 33.295 -0.489 1
1 363 . 15 1 1 A 36 36 PRO C C 36 176.844 176.965 -0.121 1
1 367 . 15 1 1 A 37 37 GLU N N 37 114.188 119.524 -5.336 1
1 368 . 15 1 1 A 37 37 GLU H H 37 8.358 8.720 -0.362 1
1 369 . 15 1 1 A 37 37 GLU CA C 37 59.038 59.396 -0.358 1
1 370 . 15 1 1 A 37 37 GLU HA H 37 3.916 4.005 -0.089 1
1 371 . 15 1 1 A 37 37 GLU CB C 37 28.206 29.329 -1.123 1
1 375 . 15 1 1 A 37 37 GLU C C 37 175.996 177.556 -1.560 1
1 378 . 15 1 1 A 38 38 ILE N N 38 118.733 123.150 -4.417 1
1 379 . 15 1 1 A 38 38 ILE H H 38 7.679 7.369 0.310 1
1 380 . 15 1 1 A 38 38 ILE CA C 38 60.711 62.135 -1.424 1
1 381 . 15 1 1 A 38 38 ILE HA H 38 4.029 3.871 0.158 1
1 382 . 15 1 1 A 38 38 ILE CB C 38 40.278 37.727 2.551 1
1 394 . 15 1 1 A 38 38 ILE C C 38 175.255 176.289 -1.034 1
1 396 . 15 1 1 A 39 39 ASN H H 39 8.593 8.725 -0.132 1
1 397 . 15 1 1 A 39 39 ASN CA C 39 52.929 53.240 -0.311 1
1 398 . 15 1 1 A 39 39 ASN HA H 39 4.921 5.042 -0.121 1
1 399 . 15 1 1 A 39 39 ASN CB C 39 39.419 39.805 -0.386 1
1 404 . 15 1 1 A 39 39 ASN C C 39 176.891 176.280 0.611 1
1 406 . 15 1 1 A 40 40 SER N N 40 120.676 115.834 4.842 1
1 407 . 15 1 1 A 40 40 SER H H 40 8.995 8.605 0.390 1
1 408 . 15 1 1 A 40 40 SER CA C 40 62.318 59.842 2.476 1
1 409 . 15 1 1 A 40 40 SER HA H 40 4.058 4.183 -0.125 1
1 410 . 15 1 1 A 40 40 SER CB C 40 63.297 64.153 -0.856 1
1 412 . 15 1 1 A 40 40 SER C C 40 176.866 176.490 0.376 1
1 414 . 15 1 1 A 41 41 SER N N 41 112.249 116.472 -4.223 1
1 415 . 15 1 1 A 41 41 SER H H 41 8.253 8.144 0.109 1
1 416 . 15 1 1 A 41 41 SER CA C 41 60.133 61.469 -1.336 1
1 417 . 15 1 1 A 41 41 SER HA H 41 4.348 4.292 0.056 1
1 418 . 15 1 1 A 41 41 SER CB C 41 62.986 62.992 -0.006 1
1 420 . 15 1 1 A 41 41 SER C C 41 174.885 174.901 -0.016 1
1 422 . 15 1 1 A 42 42 ASP N N 42 119.471 119.105 0.366 1
1 423 . 15 1 1 A 42 42 ASP H H 42 7.835 7.801 0.034 1
1 424 . 15 1 1 A 42 42 ASP CA C 42 54.713 55.433 -0.720 1
1 425 . 15 1 1 A 42 42 ASP HA H 42 4.933 4.691 0.242 1
1 426 . 15 1 1 A 42 42 ASP CB C 42 42.479 42.046 0.433 1
1 428 . 15 1 1 A 42 42 ASP C C 42 175.586 176.364 -0.778 1
1 430 . 15 1 1 A 43 43 MET N N 43 119.155 118.985 0.170 1
1 431 . 15 1 1 A 43 43 MET H H 43 7.549 7.887 -0.338 1
1 432 . 15 1 1 A 43 43 MET CA C 43 54.927 55.296 -0.369 1
1 433 . 15 1 1 A 43 43 MET HA H 43 5.359 4.763 0.596 1
1 434 . 15 1 1 A 43 43 MET CB C 43 37.158 33.748 3.410 1
1 442 . 15 1 1 A 43 43 MET C C 43 174.894 175.082 -0.188 1
1 445 . 15 1 1 A 44 44 SER N N 44 114.070 117.239 -3.169 1
1 446 . 15 1 1 A 44 44 SER H H 44 8.739 8.175 0.564 1
1 447 . 15 1 1 A 44 44 SER CA C 44 56.937 57.847 -0.910 1
1 448 . 15 1 1 A 44 44 SER HA H 44 4.700 5.187 -0.487 1
1 449 . 15 1 1 A 44 44 SER CB C 44 66.247 65.756 0.491 1
1 451 . 15 1 1 A 44 44 SER C C 44 172.764 172.792 -0.028 1
1 453 . 15 1 1 A 45 45 ALA N N 45 126.192 129.040 -2.848 1
1 454 . 15 1 1 A 45 45 ALA H H 45 9.123 8.908 0.215 1
1 455 . 15 1 1 A 45 45 ALA CA C 45 50.378 50.087 0.291 1
1 456 . 15 1 1 A 45 45 ALA HA H 45 5.741 5.532 0.209 1
1 457 . 15 1 1 A 45 45 ALA CB C 45 23.330 22.375 0.955 1
1 461 . 15 1 1 A 45 45 ALA C C 45 175.089 175.916 -0.827 1
1 462 . 15 1 1 A 46 46 HIS N N 46 119.075 117.809 1.266 1
1 463 . 15 1 1 A 46 46 HIS H H 46 8.701 8.948 -0.247 1
1 464 . 15 1 1 A 46 46 HIS CA C 46 55.999 54.823 1.176 1
1 465 . 15 1 1 A 46 46 HIS HA H 46 5.157 4.812 0.345 1
1 466 . 15 1 1 A 46 46 HIS CB C 46 34.239 33.568 0.671 1
1 472 . 15 1 1 A 46 46 HIS C C 46 174.155 173.782 0.373 1
1 474 . 15 1 1 A 47 47 VAL N N 47 125.059 124.197 0.862 1
1 475 . 15 1 1 A 47 47 VAL H H 47 9.488 8.807 0.681 1
1 476 . 15 1 1 A 47 47 VAL CA C 47 60.604 62.385 -1.781 1
1 477 . 15 1 1 A 47 47 VAL HA H 47 4.730 4.465 0.265 1
1 478 . 15 1 1 A 47 47 VAL CB C 47 33.769 31.828 1.941 1
1 488 . 15 1 1 A 47 47 VAL C C 47 175.126 175.780 -0.654 1
1 489 . 15 1 1 A 48 48 THR N N 48 124.473 123.688 0.785 1
1 490 . 15 1 1 A 48 48 THR H H 48 9.432 8.953 0.479 1
1 491 . 15 1 1 A 48 48 THR CA C 48 61.766 62.060 -0.294 1
1 492 . 15 1 1 A 48 48 THR HA H 48 5.164 4.539 0.625 1
1 493 . 15 1 1 A 48 48 THR CB C 48 69.384 69.740 -0.356 1
1 499 . 15 1 1 A 48 48 THR C C 48 174.573 174.220 0.353 1
1 500 . 15 1 1 A 49 49 SER N N 49 125.657 118.521 7.136 1
1 501 . 15 1 1 A 49 49 SER H H 49 9.043 9.030 0.013 1
1 502 . 15 1 1 A 49 49 SER CA C 49 56.638 55.516 1.122 1
1 503 . 15 1 1 A 49 49 SER HA H 49 4.225 4.811 -0.586 1
1 504 . 15 1 1 A 49 49 SER CB C 49 62.948 64.459 -1.511 1
1 506 . 15 1 1 A 49 49 SER C C 49 174.034 174.321 -0.287 1
1 508 . 15 1 1 A 50 50 PRO CA C 50 65.784 64.200 1.584 1
1 509 . 15 1 1 A 50 50 PRO HA H 50 4.260 4.489 -0.229 1
1 510 . 15 1 1 A 50 50 PRO CB C 50 31.493 31.678 -0.185 1
1 516 . 15 1 1 A 50 50 PRO C C 50 177.687 176.892 0.795 1
1 520 . 15 1 1 A 51 51 SER N N 51 110.322 110.969 -0.647 1
1 521 . 15 1 1 A 51 51 SER H H 51 8.349 7.740 0.609 1
1 522 . 15 1 1 A 51 51 SER CA C 51 59.076 58.446 0.630 1
1 523 . 15 1 1 A 51 51 SER HA H 51 4.332 4.533 -0.201 1
1 524 . 15 1 1 A 51 51 SER CB C 51 62.825 65.306 -2.481 1
1 526 . 15 1 1 A 51 51 SER C C 51 175.363 175.045 0.318 1
1 528 . 15 1 1 A 52 52 GLY N N 52 111.132 109.797 1.335 1
1 529 . 15 1 1 A 52 52 GLY H H 52 8.289 7.819 0.470 1
1 530 . 15 1 1 A 52 52 GLY CA C 52 44.831 45.270 -0.439 1
1 531 . 15 1 1 A 52 52 GLY HA3 H 52 4.302 4.025 0.277 1
1 532 . 15 1 1 A 52 52 GLY C C 52 174.002 174.724 -0.722 1
1 533 . 15 1 1 A 52 52 GLY HA2 H 52 3.421 4.024 -0.603 1
1 534 . 15 1 1 A 53 53 ARG N N 53 121.515 120.651 0.864 1
1 535 . 15 1 1 A 53 53 ARG H H 53 7.322 7.294 0.028 1
1 536 . 15 1 1 A 53 53 ARG CA C 53 56.749 56.754 -0.005 1
1 537 . 15 1 1 A 53 53 ARG HA H 53 4.222 4.293 -0.071 1
1 538 . 15 1 1 A 53 53 ARG CB C 53 30.430 31.509 -1.079 1
1 544 . 15 1 1 A 53 53 ARG C C 53 176.023 174.943 1.080 1
1 548 . 15 1 1 A 54 54 VAL N N 54 128.383 121.990 6.393 1
1 549 . 15 1 1 A 54 54 VAL H H 54 8.780 8.527 0.253 1
1 550 . 15 1 1 A 54 54 VAL CA C 54 61.533 61.111 0.422 1
1 551 . 15 1 1 A 54 54 VAL HA H 54 5.243 4.849 0.394 1
1 552 . 15 1 1 A 54 54 VAL CB C 54 33.205 35.636 -2.431 1
1 562 . 15 1 1 A 54 54 VAL C C 54 176.783 174.738 2.045 1
1 563 . 15 1 1 A 55 55 THR N N 55 121.757 123.456 -1.699 1
1 564 . 15 1 1 A 55 55 THR H H 55 9.188 8.943 0.245 1
1 565 . 15 1 1 A 55 55 THR CA C 55 60.216 60.765 -0.549 1
1 566 . 15 1 1 A 55 55 THR HA H 55 4.751 4.997 -0.246 1
1 567 . 15 1 1 A 55 55 THR CB C 55 71.896 72.680 -0.784 1
1 573 . 15 1 1 A 55 55 THR C C 55 173.454 172.835 0.619 1
1 574 . 15 1 1 A 56 56 GLU N N 56 125.373 123.294 2.079 1
1 575 . 15 1 1 A 56 56 GLU H H 56 8.927 8.857 0.070 1
1 576 . 15 1 1 A 56 56 GLU CA C 56 57.019 54.344 2.675 1
1 577 . 15 1 1 A 56 56 GLU HA H 56 4.365 4.876 -0.511 1
1 578 . 15 1 1 A 56 56 GLU CB C 56 30.230 33.321 -3.091 1
1 582 . 15 1 1 A 56 56 GLU C C 56 175.556 174.724 0.832 1
1 585 . 15 1 1 A 57 57 ALA N N 57 128.204 127.288 0.916 1
1 586 . 15 1 1 A 57 57 ALA H H 57 8.201 8.484 -0.283 1
1 587 . 15 1 1 A 57 57 ALA CA C 57 50.068 49.951 0.117 1
1 588 . 15 1 1 A 57 57 ALA HA H 57 4.827 5.195 -0.368 1
1 589 . 15 1 1 A 57 57 ALA CB C 57 21.531 23.078 -1.547 1
1 593 . 15 1 1 A 57 57 ALA C C 57 175.178 174.858 0.320 1
1 594 . 15 1 1 A 58 58 GLU N N 58 120.950 120.497 0.453 1
1 595 . 15 1 1 A 58 58 GLU H H 58 8.202 8.722 -0.520 1
1 596 . 15 1 1 A 58 58 GLU CA C 58 55.505 55.326 0.179 1
1 597 . 15 1 1 A 58 58 GLU HA H 58 4.509 4.986 -0.477 1
1 598 . 15 1 1 A 58 58 GLU CB C 58 32.301 32.060 0.241 1
1 602 . 15 1 1 A 58 58 GLU C C 58 175.025 175.293 -0.268 1
1 605 . 15 1 1 A 59 59 ILE N N 59 122.574 126.474 -3.900 1
1 606 . 15 1 1 A 59 59 ILE H H 59 8.578 9.050 -0.472 1
1 607 . 15 1 1 A 59 59 ILE CA C 59 60.355 59.708 0.647 1
1 608 . 15 1 1 A 59 59 ILE HA H 59 4.954 4.592 0.362 1
1 609 . 15 1 1 A 59 59 ILE CB C 59 38.374 39.282 -0.908 1
1 621 . 15 1 1 A 59 59 ILE C C 59 175.709 175.264 0.445 1
1 623 . 15 1 1 A 60 60 VAL N N 60 129.074 128.473 0.601 1
1 624 . 15 1 1 A 60 60 VAL H H 60 9.543 9.000 0.543 1
1 625 . 15 1 1 A 60 60 VAL CA C 60 58.472 60.033 -1.561 1
1 626 . 15 1 1 A 60 60 VAL HA H 60 4.737 4.451 0.286 1
1 627 . 15 1 1 A 60 60 VAL CB C 60 34.522 32.148 2.374 1
1 637 . 15 1 1 A 60 60 VAL C C 60 174.024 174.837 -0.813 1
1 638 . 15 1 1 A 61 61 PRO CA C 61 63.313 62.474 0.839 1
1 639 . 15 1 1 A 61 61 PRO HA H 61 4.611 4.682 -0.071 1
1 640 . 15 1 1 A 61 61 PRO CB C 61 32.270 31.721 0.549 1
1 646 . 15 1 1 A 61 61 PRO C C 61 177.388 176.325 1.063 1
1 650 . 15 1 1 A 62 62 MET N N 62 122.153 120.611 1.542 1
1 651 . 15 1 1 A 62 62 MET H H 62 7.843 8.889 -1.046 1
1 652 . 15 1 1 A 62 62 MET CA C 62 53.470 57.685 -4.215 1
1 653 . 15 1 1 A 62 62 MET HA H 62 4.765 4.342 0.423 1
1 654 . 15 1 1 A 62 62 MET CB C 62 33.144 33.194 -0.050 1
1 662 . 15 1 1 A 62 62 MET C C 62 175.742 176.333 -0.591 1
1 665 . 15 1 1 A 63 63 GLY N N 63 109.196 103.706 5.490 1
1 666 . 15 1 1 A 63 63 GLY H H 63 7.757 7.270 0.487 1
1 667 . 15 1 1 A 63 63 GLY CA C 63 44.092 46.158 -2.066 1
1 668 . 15 1 1 A 63 63 GLY HA3 H 63 4.193 4.049 0.144 1
1 669 . 15 1 1 A 63 63 GLY C C 63 173.451 172.000 1.451 1
1 670 . 15 1 1 A 63 63 GLY HA2 H 63 3.757 4.047 -0.290 1
1 671 . 15 1 1 A 64 64 LYS CA C 64 58.104 55.497 2.607 1
1 672 . 15 1 1 A 64 64 LYS HA H 64 3.994 4.527 -0.533 1
1 673 . 15 1 1 A 64 64 LYS CB C 64 31.766 33.226 -1.460 1
1 681 . 15 1 1 A 64 64 LYS C C 64 177.657 176.550 1.107 1
1 686 . 15 1 1 A 65 65 ASN N N 65 117.648 120.483 -2.835 1
1 687 . 15 1 1 A 65 65 ASN H H 65 8.860 8.946 -0.086 1
1 688 . 15 1 1 A 65 65 ASN CA C 65 54.222 53.944 0.278 1
1 689 . 15 1 1 A 65 65 ASN HA H 65 4.587 4.603 -0.016 1
1 690 . 15 1 1 A 65 65 ASN CB C 65 38.313 36.292 2.021 1
1 695 . 15 1 1 A 65 65 ASN C C 65 173.302 174.170 -0.868 1
1 697 . 15 1 1 A 66 66 SER N N 66 112.701 114.647 -1.946 1
1 698 . 15 1 1 A 66 66 SER H H 66 7.367 7.324 0.043 1
1 699 . 15 1 1 A 66 66 SER CA C 66 57.766 57.476 0.290 1
1 700 . 15 1 1 A 66 66 SER HA H 66 5.112 5.136 -0.024 1
1 701 . 15 1 1 A 66 66 SER CB C 66 65.000 65.778 -0.778 1
1 703 . 15 1 1 A 66 66 SER C C 66 172.793 172.679 0.114 1
1 705 . 15 1 1 A 67 67 HIS N N 67 124.096 120.433 3.663 1
1 706 . 15 1 1 A 67 67 HIS H H 67 8.735 8.928 -0.193 1
1 707 . 15 1 1 A 67 67 HIS CA C 67 55.123 54.646 0.477 1
1 708 . 15 1 1 A 67 67 HIS HA H 67 4.975 4.978 -0.003 1
1 709 . 15 1 1 A 67 67 HIS CB C 67 34.914 33.932 0.982 1
1 715 . 15 1 1 A 67 67 HIS C C 67 173.884 173.745 0.139 1
1 717 . 15 1 1 A 68 68 CYS N N 68 122.598 123.348 -0.750 1
1 718 . 15 1 1 A 68 68 CYS H H 68 9.333 8.586 0.747 1
1 719 . 15 1 1 A 68 68 CYS CA C 68 56.907 57.256 -0.349 1
1 720 . 15 1 1 A 68 68 CYS HA H 68 5.311 5.078 0.233 1
1 721 . 15 1 1 A 68 68 CYS CB C 68 29.314 30.630 -1.316 1
1 723 . 15 1 1 A 68 68 CYS C C 68 173.554 173.114 0.440 1
1 725 . 15 1 1 A 69 69 VAL N N 69 128.613 127.325 1.288 1
1 726 . 15 1 1 A 69 69 VAL H H 69 9.074 8.696 0.378 1
1 727 . 15 1 1 A 69 69 VAL CA C 69 61.632 61.604 0.028 1
1 728 . 15 1 1 A 69 69 VAL HA H 69 4.725 4.917 -0.192 1
1 729 . 15 1 1 A 69 69 VAL CB C 69 32.387 33.152 -0.765 1
1 739 . 15 1 1 A 69 69 VAL C C 69 174.230 175.089 -0.859 1
1 740 . 15 1 1 A 70 70 ARG N N 70 128.053 127.231 0.822 1
1 741 . 15 1 1 A 70 70 ARG H H 70 9.052 8.997 0.055 1
1 742 . 15 1 1 A 70 70 ARG CA C 70 54.797 55.087 -0.290 1
1 743 . 15 1 1 A 70 70 ARG HA H 70 5.761 5.018 0.743 1
1 744 . 15 1 1 A 70 70 ARG CB C 70 34.395 31.250 3.145 1
1 751 . 15 1 1 A 70 70 ARG C C 70 175.918 175.670 0.248 1
1 755 . 15 1 1 A 71 71 PHE N N 71 122.942 119.860 3.082 1
1 756 . 15 1 1 A 71 71 PHE H H 71 8.702 8.199 0.503 1
1 757 . 15 1 1 A 71 71 PHE CA C 71 55.748 56.188 -0.440 1
1 758 . 15 1 1 A 71 71 PHE HA H 71 4.936 5.115 -0.179 1
1 759 . 15 1 1 A 71 71 PHE CB C 71 41.245 41.015 0.230 1
1 771 . 15 1 1 A 71 71 PHE C C 71 171.709 172.132 -0.423 1
1 773 . 15 1 1 A 72 72 VAL N N 72 122.214 120.255 1.959 1
1 774 . 15 1 1 A 72 72 VAL H H 72 8.512 8.862 -0.350 1
1 775 . 15 1 1 A 72 72 VAL CA C 72 58.398 59.281 -0.883 1
1 776 . 15 1 1 A 72 72 VAL HA H 72 4.752 4.752 0.000 1
1 777 . 15 1 1 A 72 72 VAL CB C 72 32.747 32.164 0.583 1
1 787 . 15 1 1 A 72 72 VAL C C 72 174.416 174.976 -0.560 1
1 788 . 15 1 1 A 73 73 PRO CA C 73 62.606 62.556 0.050 1
1 789 . 15 1 1 A 73 73 PRO HA H 73 4.646 5.076 -0.430 1
1 790 . 15 1 1 A 73 73 PRO CB C 73 33.679 29.516 4.163 1
1 796 . 15 1 1 A 73 73 PRO C C 73 176.757 175.745 1.012 1
1 800 . 15 1 1 A 74 74 GLN N N 74 119.992 123.239 -3.247 1
1 801 . 15 1 1 A 74 74 GLN H H 74 9.869 8.658 1.211 1
1 802 . 15 1 1 A 74 74 GLN CA C 74 55.156 55.051 0.105 1
1 803 . 15 1 1 A 74 74 GLN HA H 74 4.602 5.056 -0.454 1
1 804 . 15 1 1 A 74 74 GLN CB C 74 31.405 30.580 0.825 1
1 811 . 15 1 1 A 74 74 GLN C C 74 174.987 174.709 0.278 1
1 814 . 15 1 1 A 75 75 GLU N N 75 119.264 124.422 -5.158 1
1 815 . 15 1 1 A 75 75 GLU H H 75 8.009 8.994 -0.985 1
1 816 . 15 1 1 A 75 75 GLU CA C 75 54.138 55.084 -0.946 1
1 817 . 15 1 1 A 75 75 GLU HA H 75 4.657 4.915 -0.258 1
1 818 . 15 1 1 A 75 75 GLU CB C 75 34.046 33.038 1.008 1
1 822 . 15 1 1 A 75 75 GLU C C 75 173.922 175.078 -1.156 1
1 825 . 15 1 1 A 76 76 MET N N 76 117.176 120.148 -2.972 1
1 826 . 15 1 1 A 76 76 MET H H 76 8.450 8.696 -0.246 1
1 827 . 15 1 1 A 76 76 MET CA C 76 55.468 55.757 -0.289 1
1 828 . 15 1 1 A 76 76 MET HA H 76 4.275 4.741 -0.466 1
1 829 . 15 1 1 A 76 76 MET CB C 76 34.487 33.420 1.067 1
1 837 . 15 1 1 A 76 76 MET C C 76 175.964 176.063 -0.099 1
1 840 . 15 1 1 A 77 77 GLY N N 77 106.906 105.918 0.988 1
1 841 . 15 1 1 A 77 77 GLY H H 77 9.058 7.756 1.302 1
1 842 . 15 1 1 A 77 77 GLY CA C 77 43.832 45.732 -1.900 1
1 843 . 15 1 1 A 77 77 GLY HA3 H 77 3.944 4.118 -0.174 1
1 844 . 15 1 1 A 77 77 GLY C C 77 176.459 172.284 4.175 1
1 845 . 15 1 1 A 77 77 GLY HA2 H 77 4.787 4.101 0.686 1
1 846 . 15 1 1 A 78 78 VAL N N 78 125.184 122.323 2.861 1
1 847 . 15 1 1 A 78 78 VAL H H 78 9.293 8.228 1.065 1
1 848 . 15 1 1 A 78 78 VAL CA C 78 64.999 61.225 3.774 1
1 849 . 15 1 1 A 78 78 VAL HA H 78 4.178 4.512 -0.334 1
1 850 . 15 1 1 A 78 78 VAL CB C 78 31.558 33.261 -1.703 1
1 860 . 15 1 1 A 78 78 VAL C C 78 175.942 174.056 1.886 1
1 861 . 15 1 1 A 79 79 HIS N N 79 128.345 126.419 1.926 1
1 862 . 15 1 1 A 79 79 HIS H H 79 9.553 8.707 0.846 1
1 863 . 15 1 1 A 79 79 HIS CA C 79 55.063 55.092 -0.029 1
1 864 . 15 1 1 A 79 79 HIS HA H 79 4.798 5.164 -0.366 1
1 865 . 15 1 1 A 79 79 HIS CB C 79 31.489 31.407 0.082 1
1 871 . 15 1 1 A 79 79 HIS C C 79 174.069 174.820 -0.751 1
1 873 . 15 1 1 A 80 80 THR N N 80 114.672 116.289 -1.617 1
1 874 . 15 1 1 A 80 80 THR H H 80 8.452 8.148 0.304 1
1 875 . 15 1 1 A 80 80 THR CA C 80 61.075 61.620 -0.545 1
1 876 . 15 1 1 A 80 80 THR HA H 80 5.213 5.351 -0.138 1
1 877 . 15 1 1 A 80 80 THR CB C 80 70.795 71.537 -0.742 1
1 883 . 15 1 1 A 80 80 THR C C 80 173.863 173.259 0.604 1
1 884 . 15 1 1 A 81 81 VAL N N 81 127.546 129.246 -1.700 1
1 885 . 15 1 1 A 81 81 VAL H H 81 9.701 9.507 0.194 1
1 886 . 15 1 1 A 81 81 VAL CA C 81 60.799 61.688 -0.889 1
1 887 . 15 1 1 A 81 81 VAL HA H 81 4.782 4.628 0.154 1
1 888 . 15 1 1 A 81 81 VAL CB C 81 33.635 32.921 0.714 1
1 898 . 15 1 1 A 81 81 VAL C C 81 174.707 175.350 -0.643 1
1 899 . 15 1 1 A 82 82 SER N N 82 123.308 125.228 -1.920 1
1 900 . 15 1 1 A 82 82 SER H H 82 9.104 9.071 0.033 1
1 901 . 15 1 1 A 82 82 SER CA C 82 56.981 58.114 -1.133 1
1 902 . 15 1 1 A 82 82 SER HA H 82 5.108 5.213 -0.105 1
1 903 . 15 1 1 A 82 82 SER CB C 82 64.728 63.701 1.027 1
1 905 . 15 1 1 A 82 82 SER C C 82 173.688 173.633 0.055 1
1 907 . 15 1 1 A 83 83 VAL N N 83 129.049 127.363 1.686 1
1 908 . 15 1 1 A 83 83 VAL H H 83 9.925 9.002 0.923 1
1 909 . 15 1 1 A 83 83 VAL CA C 83 61.669 61.458 0.211 1
1 910 . 15 1 1 A 83 83 VAL HA H 83 4.897 4.776 0.121 1
1 911 . 15 1 1 A 83 83 VAL CB C 83 33.590 32.985 0.605 1
1 921 . 15 1 1 A 83 83 VAL C C 83 174.094 175.350 -1.256 1
1 922 . 15 1 1 A 84 84 LYS N N 84 123.792 127.052 -3.260 1
1 923 . 15 1 1 A 84 84 LYS H H 84 8.768 8.582 0.186 1
1 924 . 15 1 1 A 84 84 LYS CA C 84 54.435 54.238 0.197 1
1 925 . 15 1 1 A 84 84 LYS HA H 84 5.153 5.315 -0.162 1
1 926 . 15 1 1 A 84 84 LYS CB C 84 37.608 35.682 1.926 1
1 934 . 15 1 1 A 84 84 LYS C C 84 174.908 174.289 0.619 1
1 939 . 15 1 1 A 85 85 TYR N N 85 120.439 123.637 -3.198 1
1 940 . 15 1 1 A 85 85 TYR H H 85 8.926 9.268 -0.342 1
1 941 . 15 1 1 A 85 85 TYR CA C 85 56.005 57.488 -1.483 1
1 942 . 15 1 1 A 85 85 TYR HA H 85 4.938 4.848 0.090 1
1 943 . 15 1 1 A 85 85 TYR CB C 85 41.386 41.063 0.323 1
1 953 . 15 1 1 A 85 85 TYR C C 85 175.255 174.930 0.325 1
1 955 . 15 1 1 A 86 86 ARG N N 86 127.150 128.420 -1.270 1
1 956 . 15 1 1 A 86 86 ARG H H 86 9.115 9.604 -0.489 1
1 957 . 15 1 1 A 86 86 ARG CA C 86 57.122 56.961 0.161 1
1 958 . 15 1 1 A 86 86 ARG HA H 86 3.659 3.756 -0.097 1
1 959 . 15 1 1 A 86 86 ARG CB C 86 27.563 27.294 0.269 1
1 965 . 15 1 1 A 86 86 ARG C C 86 176.482 176.373 0.109 1
1 969 . 15 1 1 A 87 87 GLY N N 87 102.394 104.481 -2.087 1
1 970 . 15 1 1 A 87 87 GLY H H 87 8.564 8.564 0.000 1
1 971 . 15 1 1 A 87 87 GLY CA C 87 45.388 46.333 -0.945 1
1 972 . 15 1 1 A 87 87 GLY HA3 H 87 4.099 3.875 0.224 1
1 973 . 15 1 1 A 87 87 GLY C C 87 173.631 173.386 0.245 1
1 974 . 15 1 1 A 87 87 GLY HA2 H 87 3.460 3.859 -0.399 1
1 975 . 15 1 1 A 88 88 GLN N N 88 119.060 114.530 4.530 1
1 976 . 15 1 1 A 88 88 GLN H H 88 7.665 7.403 0.262 1
1 977 . 15 1 1 A 88 88 GLN CA C 88 53.265 54.327 -1.062 1
1 978 . 15 1 1 A 88 88 GLN HA H 88 4.749 4.713 0.036 1
1 979 . 15 1 1 A 88 88 GLN CB C 88 31.383 31.940 -0.557 1
1 986 . 15 1 1 A 88 88 GLN C C 88 175.689 173.999 1.690 1
1 989 . 15 1 1 A 89 89 HIS N N 89 123.344 122.237 1.107 1
1 990 . 15 1 1 A 89 89 HIS H H 89 8.789 8.801 -0.012 1
1 991 . 15 1 1 A 89 89 HIS CA C 89 59.011 56.453 2.558 1
1 992 . 15 1 1 A 89 89 HIS HA H 89 4.546 4.704 -0.158 1
1 993 . 15 1 1 A 89 89 HIS CB C 89 32.365 29.692 2.673 1
1 999 . 15 1 1 A 89 89 HIS C C 89 178.152 175.332 2.820 1
1 1001 . 15 1 1 A 90 90 VAL N N 90 117.749 122.058 -4.309 1
1 1002 . 15 1 1 A 90 90 VAL H H 90 8.436 8.036 0.400 1
1 1003 . 15 1 1 A 90 90 VAL CA C 90 60.473 61.994 -1.521 1
1 1004 . 15 1 1 A 90 90 VAL HA H 90 4.535 4.103 0.432 1
1 1005 . 15 1 1 A 90 90 VAL CB C 90 32.489 33.314 -0.825 1
1 1015 . 15 1 1 A 90 90 VAL C C 90 176.018 175.414 0.604 1
1 1016 . 15 1 1 A 91 91 THR N N 91 118.099 116.416 1.683 1
1 1017 . 15 1 1 A 91 91 THR H H 91 8.491 8.390 0.101 1
1 1018 . 15 1 1 A 91 91 THR CA C 91 65.519 65.064 0.455 1
1 1019 . 15 1 1 A 91 91 THR HA H 91 3.924 3.822 0.102 1
1 1020 . 15 1 1 A 91 91 THR CB C 91 68.972 68.407 0.565 1
1 1026 . 15 1 1 A 91 91 THR C C 91 174.771 176.051 -1.280 1
1 1027 . 15 1 1 A 92 92 GLY N N 92 116.032 114.911 1.121 1
1 1028 . 15 1 1 A 92 92 GLY H H 92 8.563 8.886 -0.323 1
1 1029 . 15 1 1 A 92 92 GLY CA C 92 44.842 46.364 -1.522 1
1 1030 . 15 1 1 A 92 92 GLY HA3 H 92 4.213 3.728 0.485 1
1 1031 . 15 1 1 A 92 92 GLY C C 92 172.199 172.834 -0.635 1
1 1032 . 15 1 1 A 92 92 GLY HA2 H 92 3.361 3.715 -0.354 1
1 1033 . 15 1 1 A 93 93 SER N N 93 113.106 114.711 -1.605 1
1 1034 . 15 1 1 A 93 93 SER H H 93 7.806 7.214 0.592 1
1 1035 . 15 1 1 A 93 93 SER CA C 93 54.600 54.642 -0.042 1
1 1036 . 15 1 1 A 93 93 SER HA H 93 4.159 4.394 -0.235 1
1 1037 . 15 1 1 A 93 93 SER CB C 93 62.787 65.845 -3.058 1
1 1039 . 15 1 1 A 93 93 SER C C 93 174.123 171.931 2.192 1
1 1041 . 15 1 1 A 94 94 PRO CA C 94 62.619 62.245 0.374 1
1 1042 . 15 1 1 A 94 94 PRO HA H 94 5.537 4.583 0.954 1
1 1043 . 15 1 1 A 94 94 PRO CB C 94 34.521 32.644 1.877 1
1 1049 . 15 1 1 A 94 94 PRO C C 94 176.046 175.134 0.912 1
1 1053 . 15 1 1 A 95 95 PHE N N 95 120.547 119.497 1.050 1
1 1054 . 15 1 1 A 95 95 PHE H H 95 9.127 8.913 0.214 1
1 1055 . 15 1 1 A 95 95 PHE CA C 95 56.700 57.474 -0.774 1
1 1056 . 15 1 1 A 95 95 PHE HA H 95 4.844 5.032 -0.188 1
1 1057 . 15 1 1 A 95 95 PHE CB C 95 41.285 42.015 -0.730 1
1 1069 . 15 1 1 A 95 95 PHE C C 95 175.219 175.231 -0.012 1
1 1071 . 15 1 1 A 96 96 GLN N N 96 120.382 120.853 -0.471 1
1 1072 . 15 1 1 A 96 96 GLN H H 96 8.896 8.819 0.077 1
1 1073 . 15 1 1 A 96 96 GLN CA C 96 55.028 54.651 0.377 1
1 1074 . 15 1 1 A 96 96 GLN HA H 96 5.440 5.496 -0.056 1
1 1075 . 15 1 1 A 96 96 GLN CB C 96 31.867 32.101 -0.234 1
1 1082 . 15 1 1 A 96 96 GLN C C 96 175.480 174.798 0.682 1
1 1085 . 15 1 1 A 97 97 PHE N N 97 121.331 119.625 1.706 1
1 1086 . 15 1 1 A 97 97 PHE H H 97 8.822 8.721 0.101 1
1 1087 . 15 1 1 A 97 97 PHE CA C 97 56.931 56.084 0.847 1
1 1088 . 15 1 1 A 97 97 PHE HA H 97 4.960 5.224 -0.264 1
1 1089 . 15 1 1 A 97 97 PHE CB C 97 42.133 42.021 0.112 1
1 1101 . 15 1 1 A 97 97 PHE C C 97 173.780 172.162 1.618 1
1 1103 . 15 1 1 A 98 98 THR N N 98 121.160 116.449 4.711 1
1 1104 . 15 1 1 A 98 98 THR H H 98 8.907 8.834 0.073 1
1 1105 . 15 1 1 A 98 98 THR CA C 98 63.381 61.788 1.593 1
1 1106 . 15 1 1 A 98 98 THR HA H 98 4.487 4.561 -0.074 1
1 1107 . 15 1 1 A 98 98 THR CB C 98 69.599 69.636 -0.037 1
1 1113 . 15 1 1 A 98 98 THR C C 98 173.058 174.314 -1.256 1
1 1114 . 15 1 1 A 99 99 VAL N N 99 128.111 126.557 1.554 1
1 1115 . 15 1 1 A 99 99 VAL H H 99 8.240 8.270 -0.030 1
1 1116 . 15 1 1 A 99 99 VAL CA C 99 61.670 61.792 -0.122 1
1 1117 . 15 1 1 A 99 99 VAL HA H 99 4.271 4.279 -0.008 1
1 1118 . 15 1 1 A 99 99 VAL CB C 99 32.962 32.267 0.695 1
1 1128 . 15 1 1 A 99 99 VAL C C 99 176.689 175.347 1.342 1
1 1129 . 15 1 1 A 100 100 GLY N N 100 118.412 111.918 6.494 1
1 1130 . 15 1 1 A 100 100 GLY H H 100 8.946 8.560 0.386 1
1 1131 . 15 1 1 A 100 100 GLY CA C 100 44.504 44.226 0.278 1
1 1132 . 15 1 1 A 100 100 GLY HA3 H 100 4.506 4.338 0.168 1
1 1133 . 15 1 1 A 100 100 GLY C C 100 170.474 172.068 -1.594 1
1 1134 . 15 1 1 A 100 100 GLY HA2 H 100 4.136 4.331 -0.195 1
1 1135 . 15 1 1 A 101 101 PRO CA C 101 62.588 62.307 0.281 1
1 1136 . 15 1 1 A 101 101 PRO HA H 101 4.525 4.586 -0.061 1
1 1137 . 15 1 1 A 101 101 PRO CB C 101 32.641 33.104 -0.463 1
1 1143 . 15 1 1 A 101 101 PRO C C 101 176.696 175.701 0.995 1
1 1147 . 15 1 1 A 102 102 LEU N N 102 121.326 122.462 -1.136 1
1 1148 . 15 1 1 A 102 102 LEU H H 102 8.374 8.531 -0.157 1
1 1149 . 15 1 1 A 102 102 LEU CA C 102 55.855 55.040 0.815 1
1 1150 . 15 1 1 A 102 102 LEU HA H 102 4.221 4.533 -0.312 1
1 1151 . 15 1 1 A 102 102 LEU CB C 102 42.652 43.125 -0.473 1
1 1163 . 15 1 1 A 102 102 LEU C C 102 178.005 176.777 1.228 1
1 1165 . 15 1 1 A 103 103 GLY N N 103 110.870 109.088 1.782 1
1 1166 . 15 1 1 A 103 103 GLY H H 103 8.481 8.434 0.047 1
1 1167 . 15 1 1 A 103 103 GLY CA C 103 45.208 44.202 1.006 1
1 1168 . 15 1 1 A 103 103 GLY HA3 H 103 3.927 4.191 -0.264 1
1 1169 . 15 1 1 A 103 103 GLY C C 103 174.126 173.170 0.956 1
1 1170 . 15 1 1 A 103 103 GLY HA2 H 103 3.991 4.191 -0.200 1
1 1171 . 15 1 1 A 104 104 GLU N N 104 120.771 117.866 2.905 1
1 1172 . 15 1 1 A 104 104 GLU H H 104 8.308 8.454 -0.146 1
1 1173 . 15 1 1 A 104 104 GLU CA C 104 56.713 55.946 0.767 1
1 1174 . 15 1 1 A 104 104 GLU HA H 104 4.318 4.569 -0.251 1
1 1175 . 15 1 1 A 104 104 GLU CB C 104 30.470 30.530 -0.060 1
1 1179 . 15 1 1 A 104 104 GLU C C 104 177.052 176.589 0.463 1
1 1182 . 15 1 1 A 105 105 GLY N N 105 110.589 110.509 0.080 1
1 1183 . 15 1 1 A 105 105 GLY H H 105 8.546 8.615 -0.069 1
1 1184 . 15 1 1 A 105 105 GLY CA C 105 45.256 44.902 0.354 1
1 1185 . 15 1 1 A 105 105 GLY HA3 H 105 3.925 4.066 -0.141 1
1 1186 . 15 1 1 A 105 105 GLY C C 105 173.795 172.989 0.806 1
1 1187 . 15 1 1 A 105 105 GLY HA2 H 105 3.992 4.066 -0.074 1
1 1 . 16 1 1 A 7 7 GLY CA C 7 45.415 44.780 0.635 1
1 2 . 16 1 1 A 7 7 GLY HA3 H 7 3.972 4.157 -0.185 1
1 3 . 16 1 1 A 7 7 GLY C C 7 174.102 172.568 1.534 1
1 4 . 16 1 1 A 7 7 GLY HA2 H 7 3.972 4.157 -0.185 1
1 5 . 16 1 1 A 8 8 ARG N N 8 120.724 121.778 -1.054 1
1 6 . 16 1 1 A 8 8 ARG H H 8 8.124 8.618 -0.494 1
1 7 . 16 1 1 A 8 8 ARG CA C 8 56.123 54.227 1.896 1
1 8 . 16 1 1 A 8 8 ARG HA H 8 4.363 5.187 -0.824 1
1 9 . 16 1 1 A 8 8 ARG CB C 8 30.881 34.648 -3.767 1
1 15 . 16 1 1 A 8 8 ARG C C 8 176.487 174.139 2.348 1
1 19 . 16 1 1 A 9 9 VAL N N 9 121.839 119.892 1.947 1
1 20 . 16 1 1 A 9 9 VAL H H 9 8.204 8.635 -0.431 1
1 21 . 16 1 1 A 9 9 VAL CA C 9 62.438 60.750 1.688 1
1 22 . 16 1 1 A 9 9 VAL HA H 9 4.081 4.748 -0.667 1
1 23 . 16 1 1 A 9 9 VAL CB C 9 32.773 35.690 -2.917 1
1 33 . 16 1 1 A 9 9 VAL C C 9 176.204 174.817 1.387 1
1 34 . 16 1 1 A 10 10 LYS N N 10 125.552 126.854 -1.302 1
1 35 . 16 1 1 A 10 10 LYS H H 10 8.437 8.481 -0.044 1
1 36 . 16 1 1 A 10 10 LYS CA C 10 56.575 55.276 1.299 1
1 37 . 16 1 1 A 10 10 LYS HA H 10 4.280 4.707 -0.427 1
1 38 . 16 1 1 A 10 10 LYS CB C 10 33.046 34.321 -1.275 1
1 46 . 16 1 1 A 10 10 LYS C C 10 176.486 175.745 0.741 1
1 51 . 16 1 1 A 11 11 GLU N N 11 122.741 119.743 2.998 1
1 52 . 16 1 1 A 11 11 GLU H H 11 8.490 8.709 -0.219 1
1 53 . 16 1 1 A 11 11 GLU CA C 11 56.717 55.072 1.645 1
1 54 . 16 1 1 A 11 11 GLU HA H 11 4.303 5.114 -0.811 1
1 55 . 16 1 1 A 11 11 GLU CB C 11 30.422 32.275 -1.853 1
1 59 . 16 1 1 A 11 11 GLU C C 11 176.428 174.691 1.737 1
1 62 . 16 1 1 A 12 12 SER N N 12 117.227 120.690 -3.463 1
1 63 . 16 1 1 A 12 12 SER H H 12 8.434 8.948 -0.514 1
1 64 . 16 1 1 A 12 12 SER CA C 12 58.340 56.376 1.964 1
1 65 . 16 1 1 A 12 12 SER HA H 12 4.477 5.273 -0.796 1
1 66 . 16 1 1 A 12 12 SER CB C 12 63.670 65.181 -1.511 1
1 68 . 16 1 1 A 12 12 SER C C 12 174.574 173.277 1.297 1
1 70 . 16 1 1 A 13 13 ILE N N 13 122.704 126.252 -3.548 1
1 71 . 16 1 1 A 13 13 ILE H H 13 8.189 9.193 -1.004 1
1 72 . 16 1 1 A 13 13 ILE CA C 13 61.364 60.550 0.814 1
1 73 . 16 1 1 A 13 13 ILE HA H 13 4.270 4.722 -0.452 1
1 74 . 16 1 1 A 13 13 ILE CB C 13 38.870 39.831 -0.961 1
1 86 . 16 1 1 A 13 13 ILE C C 13 176.445 174.666 1.779 1
1 88 . 16 1 1 A 14 14 THR N N 14 118.671 120.207 -1.536 1
1 89 . 16 1 1 A 14 14 THR H H 14 8.265 8.928 -0.663 1
1 90 . 16 1 1 A 14 14 THR CA C 14 62.080 60.665 1.415 1
1 91 . 16 1 1 A 14 14 THR HA H 14 4.338 5.308 -0.970 1
1 92 . 16 1 1 A 14 14 THR CB C 14 69.779 70.339 -0.560 1
1 98 . 16 1 1 A 14 14 THR C C 14 174.465 173.423 1.042 1
1 99 . 16 1 1 A 15 15 ARG N N 15 124.132 124.998 -0.866 1
1 100 . 16 1 1 A 15 15 ARG H H 15 8.428 8.489 -0.061 1
1 101 . 16 1 1 A 15 15 ARG CA C 15 56.221 55.773 0.448 1
1 102 . 16 1 1 A 15 15 ARG HA H 15 4.447 4.678 -0.231 1
1 103 . 16 1 1 A 15 15 ARG CB C 15 30.949 34.200 -3.251 1
1 109 . 16 1 1 A 15 15 ARG C C 15 176.374 173.520 2.854 1
1 113 . 16 1 1 A 16 16 THR N N 16 115.339 120.367 -5.028 1
1 114 . 16 1 1 A 16 16 THR H H 16 8.232 8.657 -0.425 1
1 115 . 16 1 1 A 16 16 THR CA C 16 61.828 60.382 1.446 1
1 116 . 16 1 1 A 16 16 THR HA H 16 4.389 5.173 -0.784 1
1 117 . 16 1 1 A 16 16 THR CB C 16 69.896 71.454 -1.558 1
1 123 . 16 1 1 A 16 16 THR C C 16 174.518 173.661 0.857 1
1 124 . 16 1 1 A 17 17 SER N N 17 118.278 124.624 -6.346 1
1 125 . 16 1 1 A 17 17 SER H H 17 8.331 8.760 -0.429 1
1 126 . 16 1 1 A 17 17 SER CA C 17 58.326 57.674 0.652 1
1 127 . 16 1 1 A 17 17 SER HA H 17 4.500 5.054 -0.554 1
1 128 . 16 1 1 A 17 17 SER CB C 17 63.918 67.726 -3.808 1
1 130 . 16 1 1 A 17 17 SER C C 17 174.172 173.165 1.007 1
1 132 . 16 1 1 A 18 18 ARG N N 18 122.935 119.180 3.755 1
1 133 . 16 1 1 A 18 18 ARG H H 18 8.376 8.999 -0.623 1
1 134 . 16 1 1 A 18 18 ARG CA C 18 55.772 53.670 2.102 1
1 135 . 16 1 1 A 18 18 ARG HA H 18 4.386 5.317 -0.931 1
1 136 . 16 1 1 A 18 18 ARG CB C 18 31.073 34.779 -3.706 1
1 142 . 16 1 1 A 18 18 ARG C C 18 175.493 174.330 1.163 1
1 146 . 16 1 1 A 19 19 ALA N N 19 126.804 121.686 5.118 1
1 147 . 16 1 1 A 19 19 ALA H H 19 8.357 8.779 -0.422 1
1 148 . 16 1 1 A 19 19 ALA CA C 19 50.553 49.515 1.038 1
1 149 . 16 1 1 A 19 19 ALA HA H 19 4.585 4.852 -0.267 1
1 150 . 16 1 1 A 19 19 ALA CB C 19 18.208 22.494 -4.286 1
1 154 . 16 1 1 A 19 19 ALA C C 19 175.408 176.548 -1.140 1
1 155 . 16 1 1 A 20 20 PRO CA C 20 63.352 63.712 -0.360 1
1 156 . 16 1 1 A 20 20 PRO HA H 20 4.455 4.486 -0.031 1
1 157 . 16 1 1 A 20 20 PRO CB C 20 32.196 31.557 0.639 1
1 163 . 16 1 1 A 20 20 PRO C C 20 176.846 176.491 0.355 1
1 167 . 16 1 1 A 21 21 SER N N 21 116.414 111.943 4.471 1
1 168 . 16 1 1 A 21 21 SER H H 21 8.449 7.960 0.489 1
1 169 . 16 1 1 A 21 21 SER CA C 21 58.507 57.692 0.815 1
1 170 . 16 1 1 A 21 21 SER HA H 21 4.475 4.468 0.007 1
1 171 . 16 1 1 A 21 21 SER CB C 21 63.851 63.101 0.750 1
1 173 . 16 1 1 A 21 21 SER C C 21 174.344 173.786 0.558 1
1 175 . 16 1 1 A 22 22 VAL N N 22 120.580 123.166 -2.586 1
1 176 . 16 1 1 A 22 22 VAL H H 22 8.110 8.348 -0.238 1
1 177 . 16 1 1 A 22 22 VAL CA C 22 61.788 62.303 -0.515 1
1 178 . 16 1 1 A 22 22 VAL HA H 22 4.293 3.937 0.356 1
1 179 . 16 1 1 A 22 22 VAL CB C 22 33.445 32.013 1.432 1
1 189 . 16 1 1 A 22 22 VAL C C 22 175.160 175.760 -0.600 1
1 190 . 16 1 1 A 23 23 ALA N N 23 127.788 128.419 -0.631 1
1 191 . 16 1 1 A 23 23 ALA H H 23 8.428 8.488 -0.060 1
1 192 . 16 1 1 A 23 23 ALA CA C 23 51.790 50.069 1.721 1
1 193 . 16 1 1 A 23 23 ALA HA H 23 4.594 4.857 -0.263 1
1 194 . 16 1 1 A 23 23 ALA CB C 23 21.050 20.533 0.517 1
1 198 . 16 1 1 A 23 23 ALA C C 23 176.198 176.038 0.160 1
1 199 . 16 1 1 A 24 24 THR N N 24 115.139 118.054 -2.915 1
1 200 . 16 1 1 A 24 24 THR H H 24 8.338 8.885 -0.547 1
1 201 . 16 1 1 A 24 24 THR CA C 24 60.519 62.004 -1.485 1
1 202 . 16 1 1 A 24 24 THR HA H 24 4.674 4.825 -0.151 1
1 203 . 16 1 1 A 24 24 THR CB C 24 72.048 70.514 1.534 1
1 209 . 16 1 1 A 24 24 THR C C 24 173.979 173.305 0.674 1
1 210 . 16 1 1 A 25 25 VAL N N 25 122.772 125.947 -3.175 1
1 211 . 16 1 1 A 25 25 VAL H H 25 8.002 8.540 -0.538 1
1 212 . 16 1 1 A 25 25 VAL CA C 25 64.582 61.586 2.996 1
1 213 . 16 1 1 A 25 25 VAL HA H 25 3.280 4.354 -1.074 1
1 214 . 16 1 1 A 25 25 VAL CB C 25 32.102 32.975 -0.873 1
1 224 . 16 1 1 A 25 25 VAL C C 25 176.709 176.781 -0.072 1
1 225 . 16 1 1 A 26 26 GLY N N 26 112.345 116.122 -3.777 1
1 226 . 16 1 1 A 26 26 GLY H H 26 8.344 8.794 -0.450 1
1 227 . 16 1 1 A 26 26 GLY CA C 26 45.534 45.876 -0.342 1
1 228 . 16 1 1 A 26 26 GLY HA3 H 26 4.166 3.942 0.224 1
1 229 . 16 1 1 A 26 26 GLY C C 26 173.701 173.564 0.137 1
1 230 . 16 1 1 A 26 26 GLY HA2 H 26 3.519 3.929 -0.410 1
1 231 . 16 1 1 A 27 27 SER N N 27 116.474 114.567 1.907 1
1 232 . 16 1 1 A 27 27 SER H H 27 7.738 7.607 0.131 1
1 233 . 16 1 1 A 27 27 SER CA C 27 57.264 57.375 -0.111 1
1 234 . 16 1 1 A 27 27 SER HA H 27 4.692 4.858 -0.166 1
1 235 . 16 1 1 A 27 27 SER CB C 27 65.270 66.452 -1.182 1
1 237 . 16 1 1 A 27 27 SER C C 27 172.491 173.295 -0.804 1
1 239 . 16 1 1 A 28 28 ILE N N 28 122.052 126.528 -4.476 1
1 240 . 16 1 1 A 28 28 ILE H H 28 8.350 8.664 -0.314 1
1 241 . 16 1 1 A 28 28 ILE CA C 28 62.995 62.046 0.949 1
1 242 . 16 1 1 A 28 28 ILE HA H 28 3.693 4.060 -0.367 1
1 243 . 16 1 1 A 28 28 ILE CB C 28 38.221 37.067 1.154 1
1 255 . 16 1 1 A 28 28 ILE C C 28 175.624 174.735 0.889 1
1 257 . 16 1 1 A 29 29 CYS N N 29 129.493 127.709 1.784 1
1 258 . 16 1 1 A 29 29 CYS H H 29 8.730 8.527 0.203 1
1 259 . 16 1 1 A 29 29 CYS CA C 29 58.201 56.967 1.234 1
1 260 . 16 1 1 A 29 29 CYS HA H 29 4.451 4.807 -0.356 1
1 261 . 16 1 1 A 29 29 CYS CB C 29 28.560 29.311 -0.751 1
1 263 . 16 1 1 A 29 29 CYS C C 29 171.207 173.164 -1.957 1
1 265 . 16 1 1 A 30 30 ASP N N 30 123.789 126.711 -2.922 1
1 266 . 16 1 1 A 30 30 ASP H H 30 8.000 8.521 -0.521 1
1 267 . 16 1 1 A 30 30 ASP CA C 30 52.692 54.061 -1.369 1
1 268 . 16 1 1 A 30 30 ASP HA H 30 5.315 4.698 0.617 1
1 269 . 16 1 1 A 30 30 ASP CB C 30 43.397 40.717 2.680 1
1 271 . 16 1 1 A 30 30 ASP C C 30 175.569 175.355 0.214 1
1 273 . 16 1 1 A 31 31 LEU N N 31 125.116 126.103 -0.987 1
1 274 . 16 1 1 A 31 31 LEU H H 31 9.147 9.087 0.060 1
1 275 . 16 1 1 A 31 31 LEU CA C 31 53.606 53.752 -0.146 1
1 276 . 16 1 1 A 31 31 LEU HA H 31 4.515 4.799 -0.284 1
1 277 . 16 1 1 A 31 31 LEU CB C 31 43.262 44.176 -0.914 1
1 289 . 16 1 1 A 31 31 LEU C C 31 174.935 175.209 -0.274 1
1 291 . 16 1 1 A 32 32 ASN N N 32 124.687 126.785 -2.098 1
1 292 . 16 1 1 A 32 32 ASN H H 32 8.690 9.013 -0.323 1
1 293 . 16 1 1 A 32 32 ASN CA C 32 53.696 53.154 0.542 1
1 294 . 16 1 1 A 32 32 ASN HA H 32 5.077 5.095 -0.018 1
1 295 . 16 1 1 A 32 32 ASN CB C 32 39.842 39.791 0.051 1
1 300 . 16 1 1 A 32 32 ASN C C 32 174.322 174.046 0.276 1
1 302 . 16 1 1 A 33 33 LEU N N 33 123.838 126.636 -2.798 1
1 303 . 16 1 1 A 33 33 LEU H H 33 8.912 8.441 0.471 1
1 304 . 16 1 1 A 33 33 LEU CA C 33 53.820 53.548 0.272 1
1 305 . 16 1 1 A 33 33 LEU HA H 33 4.638 4.969 -0.331 1
1 306 . 16 1 1 A 33 33 LEU CB C 33 45.587 45.352 0.235 1
1 318 . 16 1 1 A 33 33 LEU C C 33 175.719 175.814 -0.095 1
1 320 . 16 1 1 A 34 34 LYS N N 34 124.925 124.125 0.800 1
1 321 . 16 1 1 A 34 34 LYS H H 34 8.718 8.621 0.097 1
1 322 . 16 1 1 A 34 34 LYS CA C 34 55.079 55.778 -0.699 1
1 323 . 16 1 1 A 34 34 LYS HA H 34 5.036 4.449 0.587 1
1 324 . 16 1 1 A 34 34 LYS CB C 34 32.121 30.953 1.168 1
1 332 . 16 1 1 A 34 34 LYS C C 34 176.081 175.199 0.882 1
1 337 . 16 1 1 A 35 35 ILE N N 35 123.769 126.177 -2.408 1
1 338 . 16 1 1 A 35 35 ILE H H 35 7.935 8.357 -0.422 1
1 339 . 16 1 1 A 35 35 ILE CA C 35 58.161 57.959 0.202 1
1 340 . 16 1 1 A 35 35 ILE HA H 35 4.612 4.553 0.059 1
1 341 . 16 1 1 A 35 35 ILE CB C 35 40.616 37.823 2.793 1
1 353 . 16 1 1 A 35 35 ILE C C 35 173.405 174.564 -1.159 1
1 355 . 16 1 1 A 36 36 PRO CA C 36 63.143 62.289 0.854 1
1 356 . 16 1 1 A 36 36 PRO HA H 36 4.435 4.592 -0.157 1
1 357 . 16 1 1 A 36 36 PRO CB C 36 32.806 33.306 -0.500 1
1 363 . 16 1 1 A 36 36 PRO C C 36 176.844 177.001 -0.157 1
1 367 . 16 1 1 A 37 37 GLU N N 37 114.188 119.740 -5.552 1
1 368 . 16 1 1 A 37 37 GLU H H 37 8.358 8.756 -0.398 1
1 369 . 16 1 1 A 37 37 GLU CA C 37 59.038 59.685 -0.647 1
1 370 . 16 1 1 A 37 37 GLU HA H 37 3.916 4.169 -0.253 1
1 371 . 16 1 1 A 37 37 GLU CB C 37 28.206 29.388 -1.182 1
1 375 . 16 1 1 A 37 37 GLU C C 37 175.996 177.678 -1.682 1
1 378 . 16 1 1 A 38 38 ILE N N 38 118.733 122.403 -3.670 1
1 379 . 16 1 1 A 38 38 ILE H H 38 7.679 7.457 0.222 1
1 380 . 16 1 1 A 38 38 ILE CA C 38 60.711 62.232 -1.521 1
1 381 . 16 1 1 A 38 38 ILE HA H 38 4.029 3.954 0.075 1
1 382 . 16 1 1 A 38 38 ILE CB C 38 40.278 37.961 2.317 1
1 394 . 16 1 1 A 38 38 ILE C C 38 175.255 175.904 -0.649 1
1 396 . 16 1 1 A 39 39 ASN H H 39 8.593 8.923 -0.330 1
1 397 . 16 1 1 A 39 39 ASN CA C 39 52.929 52.005 0.924 1
1 398 . 16 1 1 A 39 39 ASN HA H 39 4.921 5.068 -0.147 1
1 399 . 16 1 1 A 39 39 ASN CB C 39 39.419 40.063 -0.644 1
1 404 . 16 1 1 A 39 39 ASN C C 39 176.891 176.411 0.480 1
1 406 . 16 1 1 A 40 40 SER N N 40 120.676 118.576 2.100 1
1 407 . 16 1 1 A 40 40 SER H H 40 8.995 9.132 -0.137 1
1 408 . 16 1 1 A 40 40 SER CA C 40 62.318 61.992 0.326 1
1 409 . 16 1 1 A 40 40 SER HA H 40 4.058 4.117 -0.059 1
1 410 . 16 1 1 A 40 40 SER CB C 40 63.297 62.473 0.824 1
1 412 . 16 1 1 A 40 40 SER C C 40 176.866 176.801 0.065 1
1 414 . 16 1 1 A 41 41 SER N N 41 112.249 115.877 -3.628 1
1 415 . 16 1 1 A 41 41 SER H H 41 8.253 8.184 0.069 1
1 416 . 16 1 1 A 41 41 SER CA C 41 60.133 61.285 -1.152 1
1 417 . 16 1 1 A 41 41 SER HA H 41 4.348 4.355 -0.007 1
1 418 . 16 1 1 A 41 41 SER CB C 41 62.986 62.598 0.388 1
1 420 . 16 1 1 A 41 41 SER C C 41 174.885 175.693 -0.808 1
1 422 . 16 1 1 A 42 42 ASP N N 42 119.471 119.494 -0.023 1
1 423 . 16 1 1 A 42 42 ASP H H 42 7.835 7.850 -0.015 1
1 424 . 16 1 1 A 42 42 ASP CA C 42 54.713 55.697 -0.984 1
1 425 . 16 1 1 A 42 42 ASP HA H 42 4.933 4.684 0.249 1
1 426 . 16 1 1 A 42 42 ASP CB C 42 42.479 42.113 0.366 1
1 428 . 16 1 1 A 42 42 ASP C C 42 175.586 176.353 -0.767 1
1 430 . 16 1 1 A 43 43 MET N N 43 119.155 118.896 0.259 1
1 431 . 16 1 1 A 43 43 MET H H 43 7.549 7.610 -0.061 1
1 432 . 16 1 1 A 43 43 MET CA C 43 54.927 55.270 -0.343 1
1 433 . 16 1 1 A 43 43 MET HA H 43 5.359 4.809 0.550 1
1 434 . 16 1 1 A 43 43 MET CB C 43 37.158 33.983 3.175 1
1 442 . 16 1 1 A 43 43 MET C C 43 174.894 175.262 -0.368 1
1 445 . 16 1 1 A 44 44 SER N N 44 114.070 116.608 -2.538 1
1 446 . 16 1 1 A 44 44 SER H H 44 8.739 8.370 0.369 1
1 447 . 16 1 1 A 44 44 SER CA C 44 56.937 57.843 -0.906 1
1 448 . 16 1 1 A 44 44 SER HA H 44 4.700 5.265 -0.565 1
1 449 . 16 1 1 A 44 44 SER CB C 44 66.247 65.847 0.400 1
1 451 . 16 1 1 A 44 44 SER C C 44 172.764 173.244 -0.480 1
1 453 . 16 1 1 A 45 45 ALA N N 45 126.192 128.633 -2.441 1
1 454 . 16 1 1 A 45 45 ALA H H 45 9.123 8.921 0.202 1
1 455 . 16 1 1 A 45 45 ALA CA C 45 50.378 50.108 0.270 1
1 456 . 16 1 1 A 45 45 ALA HA H 45 5.741 5.597 0.144 1
1 457 . 16 1 1 A 45 45 ALA CB C 45 23.330 22.247 1.083 1
1 461 . 16 1 1 A 45 45 ALA C C 45 175.089 175.897 -0.808 1
1 462 . 16 1 1 A 46 46 HIS N N 46 119.075 118.021 1.054 1
1 463 . 16 1 1 A 46 46 HIS H H 46 8.701 8.992 -0.291 1
1 464 . 16 1 1 A 46 46 HIS CA C 46 55.999 54.621 1.378 1
1 465 . 16 1 1 A 46 46 HIS HA H 46 5.157 4.833 0.324 1
1 466 . 16 1 1 A 46 46 HIS CB C 46 34.239 33.506 0.733 1
1 472 . 16 1 1 A 46 46 HIS C C 46 174.155 173.774 0.381 1
1 474 . 16 1 1 A 47 47 VAL N N 47 125.059 122.776 2.283 1
1 475 . 16 1 1 A 47 47 VAL H H 47 9.488 8.517 0.971 1
1 476 . 16 1 1 A 47 47 VAL CA C 47 60.604 61.043 -0.439 1
1 477 . 16 1 1 A 47 47 VAL HA H 47 4.730 4.796 -0.066 1
1 478 . 16 1 1 A 47 47 VAL CB C 47 33.769 33.374 0.395 1
1 488 . 16 1 1 A 47 47 VAL C C 47 175.126 175.160 -0.034 1
1 489 . 16 1 1 A 48 48 THR N N 48 124.473 123.168 1.305 1
1 490 . 16 1 1 A 48 48 THR H H 48 9.432 9.364 0.068 1
1 491 . 16 1 1 A 48 48 THR CA C 48 61.766 62.309 -0.543 1
1 492 . 16 1 1 A 48 48 THR HA H 48 5.164 4.673 0.491 1
1 493 . 16 1 1 A 48 48 THR CB C 48 69.384 69.729 -0.345 1
1 499 . 16 1 1 A 48 48 THR C C 48 174.573 174.679 -0.106 1
1 500 . 16 1 1 A 49 49 SER N N 49 125.657 120.616 5.041 1
1 501 . 16 1 1 A 49 49 SER H H 49 9.043 9.346 -0.303 1
1 502 . 16 1 1 A 49 49 SER CA C 49 56.638 56.543 0.095 1
1 503 . 16 1 1 A 49 49 SER HA H 49 4.225 4.854 -0.629 1
1 504 . 16 1 1 A 49 49 SER CB C 49 62.948 63.540 -0.592 1
1 506 . 16 1 1 A 49 49 SER C C 49 174.034 174.907 -0.873 1
1 508 . 16 1 1 A 50 50 PRO CA C 50 65.784 64.083 1.701 1
1 509 . 16 1 1 A 50 50 PRO HA H 50 4.260 4.481 -0.221 1
1 510 . 16 1 1 A 50 50 PRO CB C 50 31.493 31.542 -0.049 1
1 516 . 16 1 1 A 50 50 PRO C C 50 177.687 176.922 0.765 1
1 520 . 16 1 1 A 51 51 SER N N 51 110.322 111.438 -1.116 1
1 521 . 16 1 1 A 51 51 SER H H 51 8.349 7.494 0.855 1
1 522 . 16 1 1 A 51 51 SER CA C 51 59.076 58.636 0.440 1
1 523 . 16 1 1 A 51 51 SER HA H 51 4.332 4.544 -0.212 1
1 524 . 16 1 1 A 51 51 SER CB C 51 62.825 64.614 -1.789 1
1 526 . 16 1 1 A 51 51 SER C C 51 175.363 174.974 0.389 1
1 528 . 16 1 1 A 52 52 GLY N N 52 111.132 109.268 1.864 1
1 529 . 16 1 1 A 52 52 GLY H H 52 8.289 7.748 0.541 1
1 530 . 16 1 1 A 52 52 GLY CA C 52 44.831 45.422 -0.591 1
1 531 . 16 1 1 A 52 52 GLY HA3 H 52 4.302 4.016 0.286 1
1 532 . 16 1 1 A 52 52 GLY C C 52 174.002 174.778 -0.776 1
1 533 . 16 1 1 A 52 52 GLY HA2 H 52 3.421 4.013 -0.592 1
1 534 . 16 1 1 A 53 53 ARG N N 53 121.515 120.797 0.718 1
1 535 . 16 1 1 A 53 53 ARG H H 53 7.322 7.438 -0.116 1
1 536 . 16 1 1 A 53 53 ARG CA C 53 56.749 56.863 -0.114 1
1 537 . 16 1 1 A 53 53 ARG HA H 53 4.222 4.336 -0.114 1
1 538 . 16 1 1 A 53 53 ARG CB C 53 30.430 31.630 -1.200 1
1 544 . 16 1 1 A 53 53 ARG C C 53 176.023 174.972 1.051 1
1 548 . 16 1 1 A 54 54 VAL N N 54 128.383 123.130 5.253 1
1 549 . 16 1 1 A 54 54 VAL H H 54 8.780 8.715 0.065 1
1 550 . 16 1 1 A 54 54 VAL CA C 54 61.533 61.179 0.354 1
1 551 . 16 1 1 A 54 54 VAL HA H 54 5.243 4.872 0.371 1
1 552 . 16 1 1 A 54 54 VAL CB C 54 33.205 34.734 -1.529 1
1 562 . 16 1 1 A 54 54 VAL C C 54 176.783 175.666 1.117 1
1 563 . 16 1 1 A 55 55 THR N N 55 121.757 116.830 4.927 1
1 564 . 16 1 1 A 55 55 THR H H 55 9.188 9.279 -0.091 1
1 565 . 16 1 1 A 55 55 THR CA C 55 60.216 59.586 0.630 1
1 566 . 16 1 1 A 55 55 THR HA H 55 4.751 5.256 -0.505 1
1 567 . 16 1 1 A 55 55 THR CB C 55 71.896 71.343 0.553 1
1 573 . 16 1 1 A 55 55 THR C C 55 173.454 172.557 0.897 1
1 574 . 16 1 1 A 56 56 GLU N N 56 125.373 121.355 4.018 1
1 575 . 16 1 1 A 56 56 GLU H H 56 8.927 8.847 0.080 1
1 576 . 16 1 1 A 56 56 GLU CA C 56 57.019 54.638 2.381 1
1 577 . 16 1 1 A 56 56 GLU HA H 56 4.365 5.113 -0.748 1
1 578 . 16 1 1 A 56 56 GLU CB C 56 30.230 33.096 -2.866 1
1 582 . 16 1 1 A 56 56 GLU C C 56 175.556 175.045 0.511 1
1 585 . 16 1 1 A 57 57 ALA N N 57 128.204 126.651 1.553 1
1 586 . 16 1 1 A 57 57 ALA H H 57 8.201 8.310 -0.109 1
1 587 . 16 1 1 A 57 57 ALA CA C 57 50.068 50.034 0.034 1
1 588 . 16 1 1 A 57 57 ALA HA H 57 4.827 5.246 -0.419 1
1 589 . 16 1 1 A 57 57 ALA CB C 57 21.531 23.117 -1.586 1
1 593 . 16 1 1 A 57 57 ALA C C 57 175.178 174.966 0.212 1
1 594 . 16 1 1 A 58 58 GLU N N 58 120.950 120.204 0.746 1
1 595 . 16 1 1 A 58 58 GLU H H 58 8.202 8.996 -0.794 1
1 596 . 16 1 1 A 58 58 GLU CA C 58 55.505 54.931 0.574 1
1 597 . 16 1 1 A 58 58 GLU HA H 58 4.509 5.116 -0.607 1
1 598 . 16 1 1 A 58 58 GLU CB C 58 32.301 33.120 -0.819 1
1 602 . 16 1 1 A 58 58 GLU C C 58 175.025 175.276 -0.251 1
1 605 . 16 1 1 A 59 59 ILE N N 59 122.574 127.262 -4.688 1
1 606 . 16 1 1 A 59 59 ILE H H 59 8.578 9.052 -0.474 1
1 607 . 16 1 1 A 59 59 ILE CA C 59 60.355 59.756 0.599 1
1 608 . 16 1 1 A 59 59 ILE HA H 59 4.954 4.684 0.270 1
1 609 . 16 1 1 A 59 59 ILE CB C 59 38.374 38.375 -0.001 1
1 621 . 16 1 1 A 59 59 ILE C C 59 175.709 175.021 0.688 1
1 623 . 16 1 1 A 60 60 VAL N N 60 129.074 128.145 0.929 1
1 624 . 16 1 1 A 60 60 VAL H H 60 9.543 9.035 0.508 1
1 625 . 16 1 1 A 60 60 VAL CA C 60 58.472 59.237 -0.765 1
1 626 . 16 1 1 A 60 60 VAL HA H 60 4.737 4.537 0.200 1
1 627 . 16 1 1 A 60 60 VAL CB C 60 34.522 32.324 2.198 1
1 637 . 16 1 1 A 60 60 VAL C C 60 174.024 175.190 -1.166 1
1 638 . 16 1 1 A 61 61 PRO CA C 61 63.313 62.317 0.996 1
1 639 . 16 1 1 A 61 61 PRO HA H 61 4.611 4.591 0.020 1
1 640 . 16 1 1 A 61 61 PRO CB C 61 32.270 31.644 0.626 1
1 646 . 16 1 1 A 61 61 PRO C C 61 177.388 176.570 0.818 1
1 650 . 16 1 1 A 62 62 MET N N 62 122.153 121.835 0.318 1
1 651 . 16 1 1 A 62 62 MET H H 62 7.843 8.593 -0.750 1
1 652 . 16 1 1 A 62 62 MET CA C 62 53.470 54.789 -1.319 1
1 653 . 16 1 1 A 62 62 MET HA H 62 4.765 4.629 0.136 1
1 654 . 16 1 1 A 62 62 MET CB C 62 33.144 32.774 0.370 1
1 662 . 16 1 1 A 62 62 MET C C 62 175.742 175.608 0.134 1
1 665 . 16 1 1 A 63 63 GLY N N 63 109.196 107.408 1.788 1
1 666 . 16 1 1 A 63 63 GLY H H 63 7.757 7.623 0.134 1
1 667 . 16 1 1 A 63 63 GLY CA C 63 44.092 43.824 0.268 1
1 668 . 16 1 1 A 63 63 GLY HA3 H 63 4.193 3.937 0.256 1
1 669 . 16 1 1 A 63 63 GLY C C 63 173.451 172.965 0.486 1
1 670 . 16 1 1 A 63 63 GLY HA2 H 63 3.757 3.937 -0.180 1
1 671 . 16 1 1 A 64 64 LYS CA C 64 58.104 56.109 1.995 1
1 672 . 16 1 1 A 64 64 LYS HA H 64 3.994 4.266 -0.272 1
1 673 . 16 1 1 A 64 64 LYS CB C 64 31.766 33.453 -1.687 1
1 681 . 16 1 1 A 64 64 LYS C C 64 177.657 176.950 0.707 1
1 686 . 16 1 1 A 65 65 ASN N N 65 117.648 120.458 -2.810 1
1 687 . 16 1 1 A 65 65 ASN H H 65 8.860 8.869 -0.009 1
1 688 . 16 1 1 A 65 65 ASN CA C 65 54.222 54.292 -0.070 1
1 689 . 16 1 1 A 65 65 ASN HA H 65 4.587 4.263 0.324 1
1 690 . 16 1 1 A 65 65 ASN CB C 65 38.313 37.390 0.923 1
1 695 . 16 1 1 A 65 65 ASN C C 65 173.302 174.019 -0.717 1
1 697 . 16 1 1 A 66 66 SER N N 66 112.701 113.134 -0.433 1
1 698 . 16 1 1 A 66 66 SER H H 66 7.367 7.440 -0.073 1
1 699 . 16 1 1 A 66 66 SER CA C 66 57.766 57.240 0.526 1
1 700 . 16 1 1 A 66 66 SER HA H 66 5.112 5.076 0.036 1
1 701 . 16 1 1 A 66 66 SER CB C 66 65.000 65.257 -0.257 1
1 703 . 16 1 1 A 66 66 SER C C 66 172.793 172.751 0.042 1
1 705 . 16 1 1 A 67 67 HIS N N 67 124.096 123.386 0.710 1
1 706 . 16 1 1 A 67 67 HIS H H 67 8.735 8.924 -0.189 1
1 707 . 16 1 1 A 67 67 HIS CA C 67 55.123 54.527 0.596 1
1 708 . 16 1 1 A 67 67 HIS HA H 67 4.975 5.155 -0.180 1
1 709 . 16 1 1 A 67 67 HIS CB C 67 34.914 33.671 1.243 1
1 715 . 16 1 1 A 67 67 HIS C C 67 173.884 173.798 0.086 1
1 717 . 16 1 1 A 68 68 CYS N N 68 122.598 122.502 0.096 1
1 718 . 16 1 1 A 68 68 CYS H H 68 9.333 8.794 0.539 1
1 719 . 16 1 1 A 68 68 CYS CA C 68 56.907 57.246 -0.339 1
1 720 . 16 1 1 A 68 68 CYS HA H 68 5.311 4.994 0.317 1
1 721 . 16 1 1 A 68 68 CYS CB C 68 29.314 29.855 -0.541 1
1 723 . 16 1 1 A 68 68 CYS C C 68 173.554 173.098 0.456 1
1 725 . 16 1 1 A 69 69 VAL N N 69 128.613 127.256 1.357 1
1 726 . 16 1 1 A 69 69 VAL H H 69 9.074 9.170 -0.096 1
1 727 . 16 1 1 A 69 69 VAL CA C 69 61.632 61.814 -0.182 1
1 728 . 16 1 1 A 69 69 VAL HA H 69 4.725 4.891 -0.166 1
1 729 . 16 1 1 A 69 69 VAL CB C 69 32.387 32.328 0.059 1
1 739 . 16 1 1 A 69 69 VAL C C 69 174.230 175.243 -1.013 1
1 740 . 16 1 1 A 70 70 ARG N N 70 128.053 126.234 1.819 1
1 741 . 16 1 1 A 70 70 ARG H H 70 9.052 8.188 0.864 1
1 742 . 16 1 1 A 70 70 ARG CA C 70 54.797 55.133 -0.336 1
1 743 . 16 1 1 A 70 70 ARG HA H 70 5.761 4.969 0.792 1
1 744 . 16 1 1 A 70 70 ARG CB C 70 34.395 31.549 2.846 1
1 751 . 16 1 1 A 70 70 ARG C C 70 175.918 175.480 0.438 1
1 755 . 16 1 1 A 71 71 PHE N N 71 122.942 116.861 6.081 1
1 756 . 16 1 1 A 71 71 PHE H H 71 8.702 7.850 0.852 1
1 757 . 16 1 1 A 71 71 PHE CA C 71 55.748 56.102 -0.354 1
1 758 . 16 1 1 A 71 71 PHE HA H 71 4.936 5.091 -0.155 1
1 759 . 16 1 1 A 71 71 PHE CB C 71 41.245 40.879 0.366 1
1 771 . 16 1 1 A 71 71 PHE C C 71 171.709 172.110 -0.401 1
1 773 . 16 1 1 A 72 72 VAL N N 72 122.214 120.357 1.857 1
1 774 . 16 1 1 A 72 72 VAL H H 72 8.512 8.878 -0.366 1
1 775 . 16 1 1 A 72 72 VAL CA C 72 58.398 59.363 -0.965 1
1 776 . 16 1 1 A 72 72 VAL HA H 72 4.752 4.610 0.142 1
1 777 . 16 1 1 A 72 72 VAL CB C 72 32.747 32.114 0.633 1
1 787 . 16 1 1 A 72 72 VAL C C 72 174.416 174.958 -0.542 1
1 788 . 16 1 1 A 73 73 PRO CA C 73 62.606 62.681 -0.075 1
1 789 . 16 1 1 A 73 73 PRO HA H 73 4.646 5.113 -0.467 1
1 790 . 16 1 1 A 73 73 PRO CB C 73 33.679 30.122 3.557 1
1 796 . 16 1 1 A 73 73 PRO C C 73 176.757 175.956 0.801 1
1 800 . 16 1 1 A 74 74 GLN N N 74 119.992 118.226 1.766 1
1 801 . 16 1 1 A 74 74 GLN H H 74 9.869 8.286 1.583 1
1 802 . 16 1 1 A 74 74 GLN CA C 74 55.156 54.320 0.836 1
1 803 . 16 1 1 A 74 74 GLN HA H 74 4.602 5.333 -0.731 1
1 804 . 16 1 1 A 74 74 GLN CB C 74 31.405 30.526 0.879 1
1 811 . 16 1 1 A 74 74 GLN C C 74 174.987 174.431 0.556 1
1 814 . 16 1 1 A 75 75 GLU N N 75 119.264 123.151 -3.887 1
1 815 . 16 1 1 A 75 75 GLU H H 75 8.009 8.958 -0.949 1
1 816 . 16 1 1 A 75 75 GLU CA C 75 54.138 54.300 -0.162 1
1 817 . 16 1 1 A 75 75 GLU HA H 75 4.657 4.769 -0.112 1
1 818 . 16 1 1 A 75 75 GLU CB C 75 34.046 32.950 1.096 1
1 822 . 16 1 1 A 75 75 GLU C C 75 173.922 176.386 -2.464 1
1 825 . 16 1 1 A 76 76 MET N N 76 117.176 118.177 -1.001 1
1 826 . 16 1 1 A 76 76 MET H H 76 8.450 8.374 0.076 1
1 827 . 16 1 1 A 76 76 MET CA C 76 55.468 54.686 0.782 1
1 828 . 16 1 1 A 76 76 MET HA H 76 4.275 4.716 -0.441 1
1 829 . 16 1 1 A 76 76 MET CB C 76 34.487 33.418 1.069 1
1 837 . 16 1 1 A 76 76 MET C C 76 175.964 175.846 0.118 1
1 840 . 16 1 1 A 77 77 GLY N N 77 106.906 108.290 -1.384 1
1 841 . 16 1 1 A 77 77 GLY H H 77 9.058 7.672 1.386 1
1 842 . 16 1 1 A 77 77 GLY CA C 77 43.832 45.831 -1.999 1
1 843 . 16 1 1 A 77 77 GLY HA3 H 77 3.944 4.121 -0.177 1
1 844 . 16 1 1 A 77 77 GLY C C 77 176.459 172.330 4.129 1
1 845 . 16 1 1 A 77 77 GLY HA2 H 77 4.787 4.087 0.700 1
1 846 . 16 1 1 A 78 78 VAL N N 78 125.184 122.497 2.687 1
1 847 . 16 1 1 A 78 78 VAL H H 78 9.293 8.289 1.004 1
1 848 . 16 1 1 A 78 78 VAL CA C 78 64.999 61.968 3.031 1
1 849 . 16 1 1 A 78 78 VAL HA H 78 4.178 4.453 -0.275 1
1 850 . 16 1 1 A 78 78 VAL CB C 78 31.558 32.700 -1.142 1
1 860 . 16 1 1 A 78 78 VAL C C 78 175.942 174.478 1.464 1
1 861 . 16 1 1 A 79 79 HIS N N 79 128.345 125.881 2.464 1
1 862 . 16 1 1 A 79 79 HIS H H 79 9.553 9.261 0.292 1
1 863 . 16 1 1 A 79 79 HIS CA C 79 55.063 54.227 0.836 1
1 864 . 16 1 1 A 79 79 HIS HA H 79 4.798 5.229 -0.431 1
1 865 . 16 1 1 A 79 79 HIS CB C 79 31.489 32.199 -0.710 1
1 871 . 16 1 1 A 79 79 HIS C C 79 174.069 174.279 -0.210 1
1 873 . 16 1 1 A 80 80 THR N N 80 114.672 114.372 0.300 1
1 874 . 16 1 1 A 80 80 THR H H 80 8.452 8.018 0.434 1
1 875 . 16 1 1 A 80 80 THR CA C 80 61.075 61.420 -0.345 1
1 876 . 16 1 1 A 80 80 THR HA H 80 5.213 5.129 0.084 1
1 877 . 16 1 1 A 80 80 THR CB C 80 70.795 72.576 -1.781 1
1 883 . 16 1 1 A 80 80 THR C C 80 173.863 173.509 0.354 1
1 884 . 16 1 1 A 81 81 VAL N N 81 127.546 126.699 0.847 1
1 885 . 16 1 1 A 81 81 VAL H H 81 9.701 9.597 0.104 1
1 886 . 16 1 1 A 81 81 VAL CA C 81 60.799 61.370 -0.571 1
1 887 . 16 1 1 A 81 81 VAL HA H 81 4.782 4.820 -0.038 1
1 888 . 16 1 1 A 81 81 VAL CB C 81 33.635 33.244 0.391 1
1 898 . 16 1 1 A 81 81 VAL C C 81 174.707 175.383 -0.676 1
1 899 . 16 1 1 A 82 82 SER N N 82 123.308 124.141 -0.833 1
1 900 . 16 1 1 A 82 82 SER H H 82 9.104 9.291 -0.187 1
1 901 . 16 1 1 A 82 82 SER CA C 82 56.981 58.398 -1.417 1
1 902 . 16 1 1 A 82 82 SER HA H 82 5.108 4.824 0.284 1
1 903 . 16 1 1 A 82 82 SER CB C 82 64.728 62.668 2.060 1
1 905 . 16 1 1 A 82 82 SER C C 82 173.688 173.604 0.084 1
1 907 . 16 1 1 A 83 83 VAL N N 83 129.049 127.461 1.588 1
1 908 . 16 1 1 A 83 83 VAL H H 83 9.925 8.862 1.063 1
1 909 . 16 1 1 A 83 83 VAL CA C 83 61.669 61.574 0.095 1
1 910 . 16 1 1 A 83 83 VAL HA H 83 4.897 4.975 -0.078 1
1 911 . 16 1 1 A 83 83 VAL CB C 83 33.590 32.562 1.028 1
1 921 . 16 1 1 A 83 83 VAL C C 83 174.094 175.323 -1.229 1
1 922 . 16 1 1 A 84 84 LYS N N 84 123.792 127.210 -3.418 1
1 923 . 16 1 1 A 84 84 LYS H H 84 8.768 8.725 0.043 1
1 924 . 16 1 1 A 84 84 LYS CA C 84 54.435 54.300 0.135 1
1 925 . 16 1 1 A 84 84 LYS HA H 84 5.153 4.922 0.231 1
1 926 . 16 1 1 A 84 84 LYS CB C 84 37.608 35.549 2.059 1
1 934 . 16 1 1 A 84 84 LYS C C 84 174.908 174.199 0.709 1
1 939 . 16 1 1 A 85 85 TYR N N 85 120.439 123.786 -3.347 1
1 940 . 16 1 1 A 85 85 TYR H H 85 8.926 9.224 -0.298 1
1 941 . 16 1 1 A 85 85 TYR CA C 85 56.005 57.577 -1.572 1
1 942 . 16 1 1 A 85 85 TYR HA H 85 4.938 4.827 0.111 1
1 943 . 16 1 1 A 85 85 TYR CB C 85 41.386 40.834 0.552 1
1 953 . 16 1 1 A 85 85 TYR C C 85 175.255 175.054 0.201 1
1 955 . 16 1 1 A 86 86 ARG N N 86 127.150 128.520 -1.370 1
1 956 . 16 1 1 A 86 86 ARG H H 86 9.115 9.602 -0.487 1
1 957 . 16 1 1 A 86 86 ARG CA C 86 57.122 56.976 0.146 1
1 958 . 16 1 1 A 86 86 ARG HA H 86 3.659 3.830 -0.171 1
1 959 . 16 1 1 A 86 86 ARG CB C 86 27.563 27.488 0.075 1
1 965 . 16 1 1 A 86 86 ARG C C 86 176.482 176.284 0.198 1
1 969 . 16 1 1 A 87 87 GLY N N 87 102.394 104.846 -2.452 1
1 970 . 16 1 1 A 87 87 GLY H H 87 8.564 8.480 0.084 1
1 971 . 16 1 1 A 87 87 GLY CA C 87 45.388 45.483 -0.095 1
1 972 . 16 1 1 A 87 87 GLY HA3 H 87 4.099 3.774 0.325 1
1 973 . 16 1 1 A 87 87 GLY C C 87 173.631 173.853 -0.222 1
1 974 . 16 1 1 A 87 87 GLY HA2 H 87 3.460 3.762 -0.302 1
1 975 . 16 1 1 A 88 88 GLN N N 88 119.060 119.479 -0.419 1
1 976 . 16 1 1 A 88 88 GLN H H 88 7.665 7.810 -0.145 1
1 977 . 16 1 1 A 88 88 GLN CA C 88 53.265 54.404 -1.139 1
1 978 . 16 1 1 A 88 88 GLN HA H 88 4.749 4.690 0.059 1
1 979 . 16 1 1 A 88 88 GLN CB C 88 31.383 31.030 0.353 1
1 986 . 16 1 1 A 88 88 GLN C C 88 175.689 174.742 0.947 1
1 989 . 16 1 1 A 89 89 HIS N N 89 123.344 123.927 -0.583 1
1 990 . 16 1 1 A 89 89 HIS H H 89 8.789 8.594 0.195 1
1 991 . 16 1 1 A 89 89 HIS CA C 89 59.011 57.435 1.576 1
1 992 . 16 1 1 A 89 89 HIS HA H 89 4.546 4.513 0.033 1
1 993 . 16 1 1 A 89 89 HIS CB C 89 32.365 30.570 1.795 1
1 999 . 16 1 1 A 89 89 HIS C C 89 178.152 175.913 2.239 1
1 1001 . 16 1 1 A 90 90 VAL N N 90 117.749 120.020 -2.271 1
1 1002 . 16 1 1 A 90 90 VAL H H 90 8.436 8.442 -0.006 1
1 1003 . 16 1 1 A 90 90 VAL CA C 90 60.473 61.469 -0.996 1
1 1004 . 16 1 1 A 90 90 VAL HA H 90 4.535 4.268 0.267 1
1 1005 . 16 1 1 A 90 90 VAL CB C 90 32.489 33.952 -1.463 1
1 1015 . 16 1 1 A 90 90 VAL C C 90 176.018 175.993 0.025 1
1 1016 . 16 1 1 A 91 91 THR N N 91 118.099 117.626 0.473 1
1 1017 . 16 1 1 A 91 91 THR H H 91 8.491 8.542 -0.051 1
1 1018 . 16 1 1 A 91 91 THR CA C 91 65.519 63.386 2.133 1
1 1019 . 16 1 1 A 91 91 THR HA H 91 3.924 4.059 -0.135 1
1 1020 . 16 1 1 A 91 91 THR CB C 91 68.972 68.659 0.313 1
1 1026 . 16 1 1 A 91 91 THR C C 91 174.771 175.718 -0.947 1
1 1027 . 16 1 1 A 92 92 GLY N N 92 116.032 115.819 0.213 1
1 1028 . 16 1 1 A 92 92 GLY H H 92 8.563 8.977 -0.414 1
1 1029 . 16 1 1 A 92 92 GLY CA C 92 44.842 46.912 -2.070 1
1 1030 . 16 1 1 A 92 92 GLY HA3 H 92 4.213 3.884 0.329 1
1 1031 . 16 1 1 A 92 92 GLY C C 92 172.199 173.292 -1.093 1
1 1032 . 16 1 1 A 92 92 GLY HA2 H 92 3.361 3.778 -0.417 1
1 1033 . 16 1 1 A 93 93 SER N N 93 113.106 115.023 -1.917 1
1 1034 . 16 1 1 A 93 93 SER H H 93 7.806 7.392 0.414 1
1 1035 . 16 1 1 A 93 93 SER CA C 93 54.600 54.375 0.225 1
1 1036 . 16 1 1 A 93 93 SER HA H 93 4.159 4.047 0.112 1
1 1037 . 16 1 1 A 93 93 SER CB C 93 62.787 65.134 -2.347 1
1 1039 . 16 1 1 A 93 93 SER C C 93 174.123 171.941 2.182 1
1 1041 . 16 1 1 A 94 94 PRO CA C 94 62.619 62.208 0.411 1
1 1042 . 16 1 1 A 94 94 PRO HA H 94 5.537 4.498 1.039 1
1 1043 . 16 1 1 A 94 94 PRO CB C 94 34.521 32.328 2.193 1
1 1049 . 16 1 1 A 94 94 PRO C C 94 176.046 175.178 0.868 1
1 1053 . 16 1 1 A 95 95 PHE N N 95 120.547 119.293 1.254 1
1 1054 . 16 1 1 A 95 95 PHE H H 95 9.127 8.413 0.714 1
1 1055 . 16 1 1 A 95 95 PHE CA C 95 56.700 57.521 -0.821 1
1 1056 . 16 1 1 A 95 95 PHE HA H 95 4.844 5.043 -0.199 1
1 1057 . 16 1 1 A 95 95 PHE CB C 95 41.285 41.906 -0.621 1
1 1069 . 16 1 1 A 95 95 PHE C C 95 175.219 175.471 -0.252 1
1 1071 . 16 1 1 A 96 96 GLN N N 96 120.382 120.139 0.243 1
1 1072 . 16 1 1 A 96 96 GLN H H 96 8.896 8.782 0.114 1
1 1073 . 16 1 1 A 96 96 GLN CA C 96 55.028 54.146 0.882 1
1 1074 . 16 1 1 A 96 96 GLN HA H 96 5.440 5.273 0.167 1
1 1075 . 16 1 1 A 96 96 GLN CB C 96 31.867 32.447 -0.580 1
1 1082 . 16 1 1 A 96 96 GLN C C 96 175.480 174.673 0.807 1
1 1085 . 16 1 1 A 97 97 PHE N N 97 121.331 118.804 2.527 1
1 1086 . 16 1 1 A 97 97 PHE H H 97 8.822 8.330 0.492 1
1 1087 . 16 1 1 A 97 97 PHE CA C 97 56.931 56.446 0.485 1
1 1088 . 16 1 1 A 97 97 PHE HA H 97 4.960 5.155 -0.195 1
1 1089 . 16 1 1 A 97 97 PHE CB C 97 42.133 41.840 0.293 1
1 1101 . 16 1 1 A 97 97 PHE C C 97 173.780 172.529 1.251 1
1 1103 . 16 1 1 A 98 98 THR N N 98 121.160 117.522 3.638 1
1 1104 . 16 1 1 A 98 98 THR H H 98 8.907 9.031 -0.124 1
1 1105 . 16 1 1 A 98 98 THR CA C 98 63.381 62.487 0.894 1
1 1106 . 16 1 1 A 98 98 THR HA H 98 4.487 4.706 -0.219 1
1 1107 . 16 1 1 A 98 98 THR CB C 98 69.599 69.495 0.104 1
1 1113 . 16 1 1 A 98 98 THR C C 98 173.058 174.345 -1.287 1
1 1114 . 16 1 1 A 99 99 VAL N N 99 128.111 128.198 -0.087 1
1 1115 . 16 1 1 A 99 99 VAL H H 99 8.240 8.839 -0.599 1
1 1116 . 16 1 1 A 99 99 VAL CA C 99 61.670 61.029 0.641 1
1 1117 . 16 1 1 A 99 99 VAL HA H 99 4.271 4.726 -0.455 1
1 1118 . 16 1 1 A 99 99 VAL CB C 99 32.962 33.249 -0.287 1
1 1128 . 16 1 1 A 99 99 VAL C C 99 176.689 175.672 1.017 1
1 1129 . 16 1 1 A 100 100 GLY N N 100 118.412 111.973 6.439 1
1 1130 . 16 1 1 A 100 100 GLY H H 100 8.946 8.517 0.429 1
1 1131 . 16 1 1 A 100 100 GLY CA C 100 44.504 44.084 0.420 1
1 1132 . 16 1 1 A 100 100 GLY HA3 H 100 4.506 4.213 0.293 1
1 1133 . 16 1 1 A 100 100 GLY C C 100 170.474 173.301 -2.827 1
1 1134 . 16 1 1 A 100 100 GLY HA2 H 100 4.136 4.204 -0.068 1
1 1135 . 16 1 1 A 101 101 PRO CA C 101 62.588 62.352 0.236 1
1 1136 . 16 1 1 A 101 101 PRO HA H 101 4.525 4.618 -0.093 1
1 1137 . 16 1 1 A 101 101 PRO CB C 101 32.641 33.135 -0.494 1
1 1143 . 16 1 1 A 101 101 PRO C C 101 176.696 176.312 0.384 1
1 1147 . 16 1 1 A 102 102 LEU N N 102 121.326 118.189 3.137 1
1 1148 . 16 1 1 A 102 102 LEU H H 102 8.374 8.431 -0.057 1
1 1149 . 16 1 1 A 102 102 LEU CA C 102 55.855 53.170 2.685 1
1 1150 . 16 1 1 A 102 102 LEU HA H 102 4.221 4.683 -0.462 1
1 1151 . 16 1 1 A 102 102 LEU CB C 102 42.652 43.816 -1.164 1
1 1163 . 16 1 1 A 102 102 LEU C C 102 178.005 175.919 2.086 1
1 1165 . 16 1 1 A 103 103 GLY N N 103 110.870 108.135 2.735 1
1 1166 . 16 1 1 A 103 103 GLY H H 103 8.481 9.059 -0.578 1
1 1167 . 16 1 1 A 103 103 GLY CA C 103 45.208 45.336 -0.128 1
1 1168 . 16 1 1 A 103 103 GLY HA3 H 103 3.927 4.082 -0.155 1
1 1169 . 16 1 1 A 103 103 GLY C C 103 174.126 173.608 0.518 1
1 1170 . 16 1 1 A 103 103 GLY HA2 H 103 3.991 4.080 -0.089 1
1 1171 . 16 1 1 A 104 104 GLU N N 104 120.771 125.963 -5.192 1
1 1172 . 16 1 1 A 104 104 GLU H H 104 8.308 8.533 -0.225 1
1 1173 . 16 1 1 A 104 104 GLU CA C 104 56.713 57.378 -0.665 1
1 1174 . 16 1 1 A 104 104 GLU HA H 104 4.318 4.257 0.061 1
1 1175 . 16 1 1 A 104 104 GLU CB C 104 30.470 31.079 -0.609 1
1 1179 . 16 1 1 A 104 104 GLU C C 104 177.052 177.843 -0.791 1
1 1182 . 16 1 1 A 105 105 GLY N N 105 110.589 113.484 -2.895 1
1 1183 . 16 1 1 A 105 105 GLY H H 105 8.546 8.832 -0.286 1
1 1184 . 16 1 1 A 105 105 GLY CA C 105 45.256 46.970 -1.714 1
1 1185 . 16 1 1 A 105 105 GLY HA3 H 105 3.925 3.885 0.040 1
1 1186 . 16 1 1 A 105 105 GLY C C 105 173.795 174.744 -0.949 1
1 1187 . 16 1 1 A 105 105 GLY HA2 H 105 3.992 3.885 0.107 1
1 1 . 17 1 1 A 7 7 GLY CA C 7 45.415 44.871 0.544 1
1 2 . 17 1 1 A 7 7 GLY HA3 H 7 3.972 4.413 -0.441 1
1 3 . 17 1 1 A 7 7 GLY C C 7 174.102 171.859 2.243 1
1 4 . 17 1 1 A 7 7 GLY HA2 H 7 3.972 4.413 -0.441 1
1 5 . 17 1 1 A 8 8 ARG N N 8 120.724 124.046 -3.322 1
1 6 . 17 1 1 A 8 8 ARG H H 8 8.124 8.651 -0.527 1
1 7 . 17 1 1 A 8 8 ARG CA C 8 56.123 55.096 1.027 1
1 8 . 17 1 1 A 8 8 ARG HA H 8 4.363 4.757 -0.394 1
1 9 . 17 1 1 A 8 8 ARG CB C 8 30.881 30.388 0.493 1
1 15 . 17 1 1 A 8 8 ARG C C 8 176.487 174.756 1.731 1
1 19 . 17 1 1 A 9 9 VAL N N 9 121.839 124.576 -2.737 1
1 20 . 17 1 1 A 9 9 VAL H H 9 8.204 8.858 -0.654 1
1 21 . 17 1 1 A 9 9 VAL CA C 9 62.438 59.846 2.592 1
1 22 . 17 1 1 A 9 9 VAL HA H 9 4.081 5.011 -0.930 1
1 23 . 17 1 1 A 9 9 VAL CB C 9 32.773 34.945 -2.172 1
1 33 . 17 1 1 A 9 9 VAL C C 9 176.204 174.412 1.792 1
1 34 . 17 1 1 A 10 10 LYS N N 10 125.552 125.018 0.534 1
1 35 . 17 1 1 A 10 10 LYS H H 10 8.437 8.976 -0.539 1
1 36 . 17 1 1 A 10 10 LYS CA C 10 56.575 54.587 1.988 1
1 37 . 17 1 1 A 10 10 LYS HA H 10 4.280 5.066 -0.786 1
1 38 . 17 1 1 A 10 10 LYS CB C 10 33.046 35.858 -2.812 1
1 46 . 17 1 1 A 10 10 LYS C C 10 176.486 175.358 1.128 1
1 51 . 17 1 1 A 11 11 GLU N N 11 122.741 121.785 0.956 1
1 52 . 17 1 1 A 11 11 GLU H H 11 8.490 8.726 -0.236 1
1 53 . 17 1 1 A 11 11 GLU CA C 11 56.717 55.483 1.234 1
1 54 . 17 1 1 A 11 11 GLU HA H 11 4.303 4.839 -0.536 1
1 55 . 17 1 1 A 11 11 GLU CB C 11 30.422 31.432 -1.010 1
1 59 . 17 1 1 A 11 11 GLU C C 11 176.428 175.204 1.224 1
1 62 . 17 1 1 A 12 12 SER N N 12 117.227 115.432 1.795 1
1 63 . 17 1 1 A 12 12 SER H H 12 8.434 8.871 -0.437 1
1 64 . 17 1 1 A 12 12 SER CA C 12 58.340 56.820 1.520 1
1 65 . 17 1 1 A 12 12 SER HA H 12 4.477 5.176 -0.699 1
1 66 . 17 1 1 A 12 12 SER CB C 12 63.670 64.212 -0.542 1
1 68 . 17 1 1 A 12 12 SER C C 12 174.574 173.548 1.026 1
1 70 . 17 1 1 A 13 13 ILE N N 13 122.704 123.107 -0.403 1
1 71 . 17 1 1 A 13 13 ILE H H 13 8.189 8.804 -0.615 1
1 72 . 17 1 1 A 13 13 ILE CA C 13 61.364 58.896 2.468 1
1 73 . 17 1 1 A 13 13 ILE HA H 13 4.270 5.014 -0.744 1
1 74 . 17 1 1 A 13 13 ILE CB C 13 38.870 41.671 -2.801 1
1 86 . 17 1 1 A 13 13 ILE C C 13 176.445 174.584 1.861 1
1 88 . 17 1 1 A 14 14 THR N N 14 118.671 119.706 -1.035 1
1 89 . 17 1 1 A 14 14 THR H H 14 8.265 8.750 -0.485 1
1 90 . 17 1 1 A 14 14 THR CA C 14 62.080 61.655 0.425 1
1 91 . 17 1 1 A 14 14 THR HA H 14 4.338 4.655 -0.317 1
1 92 . 17 1 1 A 14 14 THR CB C 14 69.779 68.825 0.954 1
1 98 . 17 1 1 A 14 14 THR C C 14 174.465 173.561 0.904 1
1 99 . 17 1 1 A 15 15 ARG N N 15 124.132 128.249 -4.117 1
1 100 . 17 1 1 A 15 15 ARG H H 15 8.428 8.446 -0.018 1
1 101 . 17 1 1 A 15 15 ARG CA C 15 56.221 55.671 0.550 1
1 102 . 17 1 1 A 15 15 ARG HA H 15 4.447 4.492 -0.045 1
1 103 . 17 1 1 A 15 15 ARG CB C 15 30.949 32.268 -1.319 1
1 109 . 17 1 1 A 15 15 ARG C C 15 176.374 176.054 0.320 1
1 113 . 17 1 1 A 16 16 THR N N 16 115.339 121.048 -5.709 1
1 114 . 17 1 1 A 16 16 THR H H 16 8.232 8.897 -0.665 1
1 115 . 17 1 1 A 16 16 THR CA C 16 61.828 66.191 -4.363 1
1 116 . 17 1 1 A 16 16 THR HA H 16 4.389 3.975 0.414 1
1 117 . 17 1 1 A 16 16 THR CB C 16 69.896 68.577 1.319 1
1 123 . 17 1 1 A 16 16 THR C C 16 174.518 174.679 -0.161 1
1 124 . 17 1 1 A 17 17 SER N N 17 118.278 112.620 5.658 1
1 125 . 17 1 1 A 17 17 SER H H 17 8.331 7.713 0.618 1
1 126 . 17 1 1 A 17 17 SER CA C 17 58.326 57.615 0.711 1
1 127 . 17 1 1 A 17 17 SER HA H 17 4.500 4.811 -0.311 1
1 128 . 17 1 1 A 17 17 SER CB C 17 63.918 67.288 -3.370 1
1 130 . 17 1 1 A 17 17 SER C C 17 174.172 172.082 2.090 1
1 132 . 17 1 1 A 18 18 ARG N N 18 122.935 123.643 -0.708 1
1 133 . 17 1 1 A 18 18 ARG H H 18 8.376 8.543 -0.167 1
1 134 . 17 1 1 A 18 18 ARG CA C 18 55.772 54.706 1.066 1
1 135 . 17 1 1 A 18 18 ARG HA H 18 4.386 5.089 -0.703 1
1 136 . 17 1 1 A 18 18 ARG CB C 18 31.073 31.466 -0.393 1
1 142 . 17 1 1 A 18 18 ARG C C 18 175.493 175.107 0.386 1
1 146 . 17 1 1 A 19 19 ALA N N 19 126.804 125.228 1.576 1
1 147 . 17 1 1 A 19 19 ALA H H 19 8.357 8.825 -0.468 1
1 148 . 17 1 1 A 19 19 ALA CA C 19 50.553 50.603 -0.050 1
1 149 . 17 1 1 A 19 19 ALA HA H 19 4.585 4.839 -0.254 1
1 150 . 17 1 1 A 19 19 ALA CB C 19 18.208 22.295 -4.087 1
1 154 . 17 1 1 A 19 19 ALA C C 19 175.408 174.512 0.896 1
1 155 . 17 1 1 A 20 20 PRO CA C 20 63.352 62.585 0.767 1
1 156 . 17 1 1 A 20 20 PRO HA H 20 4.455 4.593 -0.138 1
1 157 . 17 1 1 A 20 20 PRO CB C 20 32.196 33.378 -1.182 1
1 163 . 17 1 1 A 20 20 PRO C C 20 176.846 174.913 1.933 1
1 167 . 17 1 1 A 21 21 SER N N 21 116.414 115.505 0.909 1
1 168 . 17 1 1 A 21 21 SER H H 21 8.449 8.664 -0.215 1
1 169 . 17 1 1 A 21 21 SER CA C 21 58.507 56.599 1.908 1
1 170 . 17 1 1 A 21 21 SER HA H 21 4.475 4.858 -0.383 1
1 171 . 17 1 1 A 21 21 SER CB C 21 63.851 65.206 -1.355 1
1 173 . 17 1 1 A 21 21 SER C C 21 174.344 171.996 2.348 1
1 175 . 17 1 1 A 22 22 VAL N N 22 120.580 122.027 -1.447 1
1 176 . 17 1 1 A 22 22 VAL H H 22 8.110 8.321 -0.211 1
1 177 . 17 1 1 A 22 22 VAL CA C 22 61.788 60.948 0.840 1
1 178 . 17 1 1 A 22 22 VAL HA H 22 4.293 4.772 -0.479 1
1 179 . 17 1 1 A 22 22 VAL CB C 22 33.445 34.696 -1.251 1
1 189 . 17 1 1 A 22 22 VAL C C 22 175.160 174.480 0.680 1
1 190 . 17 1 1 A 23 23 ALA N N 23 127.788 130.528 -2.740 1
1 191 . 17 1 1 A 23 23 ALA H H 23 8.428 8.966 -0.538 1
1 192 . 17 1 1 A 23 23 ALA CA C 23 51.790 49.707 2.083 1
1 193 . 17 1 1 A 23 23 ALA HA H 23 4.594 5.453 -0.859 1
1 194 . 17 1 1 A 23 23 ALA CB C 23 21.050 22.208 -1.158 1
1 198 . 17 1 1 A 23 23 ALA C C 23 176.198 175.712 0.486 1
1 199 . 17 1 1 A 24 24 THR N N 24 115.139 116.515 -1.376 1
1 200 . 17 1 1 A 24 24 THR H H 24 8.338 8.714 -0.376 1
1 201 . 17 1 1 A 24 24 THR CA C 24 60.519 59.705 0.814 1
1 202 . 17 1 1 A 24 24 THR HA H 24 4.674 4.957 -0.283 1
1 203 . 17 1 1 A 24 24 THR CB C 24 72.048 71.682 0.366 1
1 209 . 17 1 1 A 24 24 THR C C 24 173.979 171.751 2.228 1
1 210 . 17 1 1 A 25 25 VAL N N 25 122.772 122.220 0.552 1
1 211 . 17 1 1 A 25 25 VAL H H 25 8.002 8.710 -0.708 1
1 212 . 17 1 1 A 25 25 VAL CA C 25 64.582 59.894 4.688 1
1 213 . 17 1 1 A 25 25 VAL HA H 25 3.280 4.686 -1.406 1
1 214 . 17 1 1 A 25 25 VAL CB C 25 32.102 34.306 -2.204 1
1 224 . 17 1 1 A 25 25 VAL C C 25 176.709 175.934 0.775 1
1 225 . 17 1 1 A 26 26 GLY N N 26 112.345 116.195 -3.850 1
1 226 . 17 1 1 A 26 26 GLY H H 26 8.344 9.005 -0.661 1
1 227 . 17 1 1 A 26 26 GLY CA C 26 45.534 46.325 -0.791 1
1 228 . 17 1 1 A 26 26 GLY HA3 H 26 4.166 3.898 0.268 1
1 229 . 17 1 1 A 26 26 GLY C C 26 173.701 173.397 0.304 1
1 230 . 17 1 1 A 26 26 GLY HA2 H 26 3.519 3.892 -0.373 1
1 231 . 17 1 1 A 27 27 SER N N 27 116.474 113.715 2.759 1
1 232 . 17 1 1 A 27 27 SER H H 27 7.738 7.640 0.098 1
1 233 . 17 1 1 A 27 27 SER CA C 27 57.264 57.428 -0.164 1
1 234 . 17 1 1 A 27 27 SER HA H 27 4.692 4.958 -0.266 1
1 235 . 17 1 1 A 27 27 SER CB C 27 65.270 67.117 -1.847 1
1 237 . 17 1 1 A 27 27 SER C C 27 172.491 173.116 -0.625 1
1 239 . 17 1 1 A 28 28 ILE N N 28 122.052 125.351 -3.299 1
1 240 . 17 1 1 A 28 28 ILE H H 28 8.350 8.628 -0.278 1
1 241 . 17 1 1 A 28 28 ILE CA C 28 62.995 62.119 0.876 1
1 242 . 17 1 1 A 28 28 ILE HA H 28 3.693 3.963 -0.270 1
1 243 . 17 1 1 A 28 28 ILE CB C 28 38.221 37.154 1.067 1
1 255 . 17 1 1 A 28 28 ILE C C 28 175.624 175.247 0.377 1
1 257 . 17 1 1 A 29 29 CYS N N 29 129.493 127.670 1.823 1
1 258 . 17 1 1 A 29 29 CYS H H 29 8.730 8.973 -0.243 1
1 259 . 17 1 1 A 29 29 CYS CA C 29 58.201 57.668 0.533 1
1 260 . 17 1 1 A 29 29 CYS HA H 29 4.451 4.712 -0.261 1
1 261 . 17 1 1 A 29 29 CYS CB C 29 28.560 28.583 -0.023 1
1 263 . 17 1 1 A 29 29 CYS C C 29 171.207 173.092 -1.885 1
1 265 . 17 1 1 A 30 30 ASP N N 30 123.789 127.199 -3.410 1
1 266 . 17 1 1 A 30 30 ASP H H 30 8.000 8.754 -0.754 1
1 267 . 17 1 1 A 30 30 ASP CA C 30 52.692 53.669 -0.977 1
1 268 . 17 1 1 A 30 30 ASP HA H 30 5.315 4.966 0.349 1
1 269 . 17 1 1 A 30 30 ASP CB C 30 43.397 41.763 1.634 1
1 271 . 17 1 1 A 30 30 ASP C C 30 175.569 174.612 0.957 1
1 273 . 17 1 1 A 31 31 LEU N N 31 125.116 127.255 -2.139 1
1 274 . 17 1 1 A 31 31 LEU H H 31 9.147 9.212 -0.065 1
1 275 . 17 1 1 A 31 31 LEU CA C 31 53.606 53.693 -0.087 1
1 276 . 17 1 1 A 31 31 LEU HA H 31 4.515 4.951 -0.436 1
1 277 . 17 1 1 A 31 31 LEU CB C 31 43.262 44.874 -1.612 1
1 289 . 17 1 1 A 31 31 LEU C C 31 174.935 174.891 0.044 1
1 291 . 17 1 1 A 32 32 ASN N N 32 124.687 125.707 -1.020 1
1 292 . 17 1 1 A 32 32 ASN H H 32 8.690 8.953 -0.263 1
1 293 . 17 1 1 A 32 32 ASN CA C 32 53.696 52.900 0.796 1
1 294 . 17 1 1 A 32 32 ASN HA H 32 5.077 5.124 -0.047 1
1 295 . 17 1 1 A 32 32 ASN CB C 32 39.842 39.686 0.156 1
1 300 . 17 1 1 A 32 32 ASN C C 32 174.322 174.482 -0.160 1
1 302 . 17 1 1 A 33 33 LEU N N 33 123.838 124.914 -1.076 1
1 303 . 17 1 1 A 33 33 LEU H H 33 8.912 8.542 0.370 1
1 304 . 17 1 1 A 33 33 LEU CA C 33 53.820 53.552 0.268 1
1 305 . 17 1 1 A 33 33 LEU HA H 33 4.638 4.897 -0.259 1
1 306 . 17 1 1 A 33 33 LEU CB C 33 45.587 45.145 0.442 1
1 318 . 17 1 1 A 33 33 LEU C C 33 175.719 175.659 0.060 1
1 320 . 17 1 1 A 34 34 LYS N N 34 124.925 124.496 0.429 1
1 321 . 17 1 1 A 34 34 LYS H H 34 8.718 8.742 -0.024 1
1 322 . 17 1 1 A 34 34 LYS CA C 34 55.079 56.053 -0.974 1
1 323 . 17 1 1 A 34 34 LYS HA H 34 5.036 4.622 0.414 1
1 324 . 17 1 1 A 34 34 LYS CB C 34 32.121 32.086 0.035 1
1 332 . 17 1 1 A 34 34 LYS C C 34 176.081 175.068 1.013 1
1 337 . 17 1 1 A 35 35 ILE N N 35 123.769 126.242 -2.473 1
1 338 . 17 1 1 A 35 35 ILE H H 35 7.935 8.170 -0.235 1
1 339 . 17 1 1 A 35 35 ILE CA C 35 58.161 57.325 0.836 1
1 340 . 17 1 1 A 35 35 ILE HA H 35 4.612 4.558 0.054 1
1 341 . 17 1 1 A 35 35 ILE CB C 35 40.616 39.738 0.878 1
1 353 . 17 1 1 A 35 35 ILE C C 35 173.405 174.421 -1.016 1
1 355 . 17 1 1 A 36 36 PRO CA C 36 63.143 62.298 0.845 1
1 356 . 17 1 1 A 36 36 PRO HA H 36 4.435 4.602 -0.167 1
1 357 . 17 1 1 A 36 36 PRO CB C 36 32.806 33.325 -0.519 1
1 363 . 17 1 1 A 36 36 PRO C C 36 176.844 177.560 -0.716 1
1 367 . 17 1 1 A 37 37 GLU N N 37 114.188 120.240 -6.052 1
1 368 . 17 1 1 A 37 37 GLU H H 37 8.358 8.870 -0.512 1
1 369 . 17 1 1 A 37 37 GLU CA C 37 59.038 58.859 0.179 1
1 370 . 17 1 1 A 37 37 GLU HA H 37 3.916 4.101 -0.185 1
1 371 . 17 1 1 A 37 37 GLU CB C 37 28.206 28.811 -0.605 1
1 375 . 17 1 1 A 37 37 GLU C C 37 175.996 177.426 -1.430 1
1 378 . 17 1 1 A 38 38 ILE N N 38 118.733 123.768 -5.035 1
1 379 . 17 1 1 A 38 38 ILE H H 38 7.679 7.478 0.201 1
1 380 . 17 1 1 A 38 38 ILE CA C 38 60.711 62.186 -1.475 1
1 381 . 17 1 1 A 38 38 ILE HA H 38 4.029 3.917 0.112 1
1 382 . 17 1 1 A 38 38 ILE CB C 38 40.278 37.677 2.601 1
1 394 . 17 1 1 A 38 38 ILE C C 38 175.255 176.428 -1.173 1
1 396 . 17 1 1 A 39 39 ASN H H 39 8.593 8.286 0.307 1
1 397 . 17 1 1 A 39 39 ASN CA C 39 52.929 52.952 -0.023 1
1 398 . 17 1 1 A 39 39 ASN HA H 39 4.921 4.709 0.212 1
1 399 . 17 1 1 A 39 39 ASN CB C 39 39.419 40.080 -0.661 1
1 404 . 17 1 1 A 39 39 ASN C C 39 176.891 176.321 0.570 1
1 406 . 17 1 1 A 40 40 SER N N 40 120.676 120.118 0.558 1
1 407 . 17 1 1 A 40 40 SER H H 40 8.995 8.961 0.034 1
1 408 . 17 1 1 A 40 40 SER CA C 40 62.318 60.803 1.515 1
1 409 . 17 1 1 A 40 40 SER HA H 40 4.058 4.194 -0.136 1
1 410 . 17 1 1 A 40 40 SER CB C 40 63.297 63.099 0.198 1
1 412 . 17 1 1 A 40 40 SER C C 40 176.866 177.209 -0.343 1
1 414 . 17 1 1 A 41 41 SER N N 41 112.249 118.585 -6.336 1
1 415 . 17 1 1 A 41 41 SER H H 41 8.253 7.889 0.364 1
1 416 . 17 1 1 A 41 41 SER CA C 41 60.133 61.360 -1.227 1
1 417 . 17 1 1 A 41 41 SER HA H 41 4.348 4.208 0.140 1
1 418 . 17 1 1 A 41 41 SER CB C 41 62.986 63.075 -0.089 1
1 420 . 17 1 1 A 41 41 SER C C 41 174.885 176.789 -1.904 1
1 422 . 17 1 1 A 42 42 ASP N N 42 119.471 119.944 -0.473 1
1 423 . 17 1 1 A 42 42 ASP H H 42 7.835 8.160 -0.325 1
1 424 . 17 1 1 A 42 42 ASP CA C 42 54.713 57.165 -2.452 1
1 425 . 17 1 1 A 42 42 ASP HA H 42 4.933 4.614 0.319 1
1 426 . 17 1 1 A 42 42 ASP CB C 42 42.479 40.888 1.591 1
1 428 . 17 1 1 A 42 42 ASP C C 42 175.586 176.993 -1.407 1
1 430 . 17 1 1 A 43 43 MET N N 43 119.155 117.865 1.290 1
1 431 . 17 1 1 A 43 43 MET H H 43 7.549 7.853 -0.304 1
1 432 . 17 1 1 A 43 43 MET CA C 43 54.927 54.604 0.323 1
1 433 . 17 1 1 A 43 43 MET HA H 43 5.359 5.152 0.207 1
1 434 . 17 1 1 A 43 43 MET CB C 43 37.158 35.087 2.071 1
1 442 . 17 1 1 A 43 43 MET C C 43 174.894 174.786 0.108 1
1 445 . 17 1 1 A 44 44 SER N N 44 114.070 113.092 0.978 1
1 446 . 17 1 1 A 44 44 SER H H 44 8.739 8.742 -0.003 1
1 447 . 17 1 1 A 44 44 SER CA C 44 56.937 57.695 -0.758 1
1 448 . 17 1 1 A 44 44 SER HA H 44 4.700 5.294 -0.594 1
1 449 . 17 1 1 A 44 44 SER CB C 44 66.247 65.892 0.355 1
1 451 . 17 1 1 A 44 44 SER C C 44 172.764 172.817 -0.053 1
1 453 . 17 1 1 A 45 45 ALA N N 45 126.192 128.099 -1.907 1
1 454 . 17 1 1 A 45 45 ALA H H 45 9.123 8.930 0.193 1
1 455 . 17 1 1 A 45 45 ALA CA C 45 50.378 50.128 0.250 1
1 456 . 17 1 1 A 45 45 ALA HA H 45 5.741 5.628 0.113 1
1 457 . 17 1 1 A 45 45 ALA CB C 45 23.330 22.158 1.172 1
1 461 . 17 1 1 A 45 45 ALA C C 45 175.089 176.059 -0.970 1
1 462 . 17 1 1 A 46 46 HIS N N 46 119.075 118.467 0.608 1
1 463 . 17 1 1 A 46 46 HIS H H 46 8.701 8.608 0.093 1
1 464 . 17 1 1 A 46 46 HIS CA C 46 55.999 54.809 1.190 1
1 465 . 17 1 1 A 46 46 HIS HA H 46 5.157 4.813 0.344 1
1 466 . 17 1 1 A 46 46 HIS CB C 46 34.239 33.601 0.638 1
1 472 . 17 1 1 A 46 46 HIS C C 46 174.155 174.075 0.080 1
1 474 . 17 1 1 A 47 47 VAL N N 47 125.059 123.497 1.562 1
1 475 . 17 1 1 A 47 47 VAL H H 47 9.488 8.580 0.908 1
1 476 . 17 1 1 A 47 47 VAL CA C 47 60.604 62.096 -1.492 1
1 477 . 17 1 1 A 47 47 VAL HA H 47 4.730 4.597 0.133 1
1 478 . 17 1 1 A 47 47 VAL CB C 47 33.769 31.896 1.873 1
1 488 . 17 1 1 A 47 47 VAL C C 47 175.126 175.371 -0.245 1
1 489 . 17 1 1 A 48 48 THR N N 48 124.473 124.178 0.295 1
1 490 . 17 1 1 A 48 48 THR H H 48 9.432 8.937 0.495 1
1 491 . 17 1 1 A 48 48 THR CA C 48 61.766 62.402 -0.636 1
1 492 . 17 1 1 A 48 48 THR HA H 48 5.164 4.722 0.442 1
1 493 . 17 1 1 A 48 48 THR CB C 48 69.384 69.877 -0.493 1
1 499 . 17 1 1 A 48 48 THR C C 48 174.573 174.329 0.244 1
1 500 . 17 1 1 A 49 49 SER N N 49 125.657 121.985 3.672 1
1 501 . 17 1 1 A 49 49 SER H H 49 9.043 8.984 0.059 1
1 502 . 17 1 1 A 49 49 SER CA C 49 56.638 56.876 -0.238 1
1 503 . 17 1 1 A 49 49 SER HA H 49 4.225 4.693 -0.468 1
1 504 . 17 1 1 A 49 49 SER CB C 49 62.948 63.052 -0.104 1
1 506 . 17 1 1 A 49 49 SER C C 49 174.034 174.792 -0.758 1
1 508 . 17 1 1 A 50 50 PRO CA C 50 65.784 64.050 1.734 1
1 509 . 17 1 1 A 50 50 PRO HA H 50 4.260 4.489 -0.229 1
1 510 . 17 1 1 A 50 50 PRO CB C 50 31.493 31.662 -0.169 1
1 516 . 17 1 1 A 50 50 PRO C C 50 177.687 177.133 0.554 1
1 520 . 17 1 1 A 51 51 SER N N 51 110.322 111.162 -0.840 1
1 521 . 17 1 1 A 51 51 SER H H 51 8.349 8.096 0.253 1
1 522 . 17 1 1 A 51 51 SER CA C 51 59.076 59.142 -0.066 1
1 523 . 17 1 1 A 51 51 SER HA H 51 4.332 4.583 -0.251 1
1 524 . 17 1 1 A 51 51 SER CB C 51 62.825 63.415 -0.590 1
1 526 . 17 1 1 A 51 51 SER C C 51 175.363 175.231 0.132 1
1 528 . 17 1 1 A 52 52 GLY N N 52 111.132 108.417 2.715 1
1 529 . 17 1 1 A 52 52 GLY H H 52 8.289 7.034 1.255 1
1 530 . 17 1 1 A 52 52 GLY CA C 52 44.831 45.301 -0.470 1
1 531 . 17 1 1 A 52 52 GLY HA3 H 52 4.302 4.100 0.202 1
1 532 . 17 1 1 A 52 52 GLY C C 52 174.002 173.736 0.266 1
1 533 . 17 1 1 A 52 52 GLY HA2 H 52 3.421 4.099 -0.678 1
1 534 . 17 1 1 A 53 53 ARG N N 53 121.515 119.470 2.045 1
1 535 . 17 1 1 A 53 53 ARG H H 53 7.322 7.576 -0.254 1
1 536 . 17 1 1 A 53 53 ARG CA C 53 56.749 54.073 2.676 1
1 537 . 17 1 1 A 53 53 ARG HA H 53 4.222 4.867 -0.645 1
1 538 . 17 1 1 A 53 53 ARG CB C 53 30.430 33.698 -3.268 1
1 544 . 17 1 1 A 53 53 ARG C C 53 176.023 175.100 0.923 1
1 548 . 17 1 1 A 54 54 VAL N N 54 128.383 121.647 6.736 1
1 549 . 17 1 1 A 54 54 VAL H H 54 8.780 8.603 0.177 1
1 550 . 17 1 1 A 54 54 VAL CA C 54 61.533 61.134 0.399 1
1 551 . 17 1 1 A 54 54 VAL HA H 54 5.243 4.997 0.246 1
1 552 . 17 1 1 A 54 54 VAL CB C 54 33.205 34.639 -1.434 1
1 562 . 17 1 1 A 54 54 VAL C C 54 176.783 174.815 1.968 1
1 563 . 17 1 1 A 55 55 THR N N 55 121.757 122.740 -0.983 1
1 564 . 17 1 1 A 55 55 THR H H 55 9.188 8.899 0.289 1
1 565 . 17 1 1 A 55 55 THR CA C 55 60.216 60.685 -0.469 1
1 566 . 17 1 1 A 55 55 THR HA H 55 4.751 5.065 -0.314 1
1 567 . 17 1 1 A 55 55 THR CB C 55 71.896 72.275 -0.379 1
1 573 . 17 1 1 A 55 55 THR C C 55 173.454 172.948 0.506 1
1 574 . 17 1 1 A 56 56 GLU N N 56 125.373 123.515 1.858 1
1 575 . 17 1 1 A 56 56 GLU H H 56 8.927 8.878 0.049 1
1 576 . 17 1 1 A 56 56 GLU CA C 56 57.019 54.506 2.513 1
1 577 . 17 1 1 A 56 56 GLU HA H 56 4.365 4.812 -0.447 1
1 578 . 17 1 1 A 56 56 GLU CB C 56 30.230 32.730 -2.500 1
1 582 . 17 1 1 A 56 56 GLU C C 56 175.556 174.771 0.785 1
1 585 . 17 1 1 A 57 57 ALA N N 57 128.204 126.380 1.824 1
1 586 . 17 1 1 A 57 57 ALA H H 57 8.201 8.364 -0.163 1
1 587 . 17 1 1 A 57 57 ALA CA C 57 50.068 49.973 0.095 1
1 588 . 17 1 1 A 57 57 ALA HA H 57 4.827 5.213 -0.386 1
1 589 . 17 1 1 A 57 57 ALA CB C 57 21.531 23.395 -1.864 1
1 593 . 17 1 1 A 57 57 ALA C C 57 175.178 174.719 0.459 1
1 594 . 17 1 1 A 58 58 GLU N N 58 120.950 119.986 0.964 1
1 595 . 17 1 1 A 58 58 GLU H H 58 8.202 8.689 -0.487 1
1 596 . 17 1 1 A 58 58 GLU CA C 58 55.505 55.336 0.169 1
1 597 . 17 1 1 A 58 58 GLU HA H 58 4.509 4.934 -0.425 1
1 598 . 17 1 1 A 58 58 GLU CB C 58 32.301 31.991 0.310 1
1 602 . 17 1 1 A 58 58 GLU C C 58 175.025 175.455 -0.430 1
1 605 . 17 1 1 A 59 59 ILE N N 59 122.574 127.441 -4.867 1
1 606 . 17 1 1 A 59 59 ILE H H 59 8.578 9.060 -0.482 1
1 607 . 17 1 1 A 59 59 ILE CA C 59 60.355 60.503 -0.148 1
1 608 . 17 1 1 A 59 59 ILE HA H 59 4.954 4.601 0.353 1
1 609 . 17 1 1 A 59 59 ILE CB C 59 38.374 37.470 0.904 1
1 621 . 17 1 1 A 59 59 ILE C C 59 175.709 175.550 0.159 1
1 623 . 17 1 1 A 60 60 VAL N N 60 129.074 128.110 0.964 1
1 624 . 17 1 1 A 60 60 VAL H H 60 9.543 8.660 0.883 1
1 625 . 17 1 1 A 60 60 VAL CA C 60 58.472 60.933 -2.461 1
1 626 . 17 1 1 A 60 60 VAL HA H 60 4.737 4.139 0.598 1
1 627 . 17 1 1 A 60 60 VAL CB C 60 34.522 32.337 2.185 1
1 637 . 17 1 1 A 60 60 VAL C C 60 174.024 174.721 -0.697 1
1 638 . 17 1 1 A 61 61 PRO CA C 61 63.313 62.533 0.780 1
1 639 . 17 1 1 A 61 61 PRO HA H 61 4.611 4.542 0.069 1
1 640 . 17 1 1 A 61 61 PRO CB C 61 32.270 31.622 0.648 1
1 646 . 17 1 1 A 61 61 PRO C C 61 177.388 176.904 0.484 1
1 650 . 17 1 1 A 62 62 MET N N 62 122.153 120.786 1.367 1
1 651 . 17 1 1 A 62 62 MET H H 62 7.843 8.342 -0.499 1
1 652 . 17 1 1 A 62 62 MET CA C 62 53.470 58.032 -4.562 1
1 653 . 17 1 1 A 62 62 MET HA H 62 4.765 4.322 0.443 1
1 654 . 17 1 1 A 62 62 MET CB C 62 33.144 33.581 -0.437 1
1 662 . 17 1 1 A 62 62 MET C C 62 175.742 176.266 -0.524 1
1 665 . 17 1 1 A 63 63 GLY N N 63 109.196 103.691 5.505 1
1 666 . 17 1 1 A 63 63 GLY H H 63 7.757 6.836 0.921 1
1 667 . 17 1 1 A 63 63 GLY CA C 63 44.092 45.880 -1.788 1
1 668 . 17 1 1 A 63 63 GLY HA3 H 63 4.193 4.028 0.165 1
1 669 . 17 1 1 A 63 63 GLY C C 63 173.451 172.791 0.660 1
1 670 . 17 1 1 A 63 63 GLY HA2 H 63 3.757 4.013 -0.256 1
1 671 . 17 1 1 A 64 64 LYS CA C 64 58.104 56.534 1.570 1
1 672 . 17 1 1 A 64 64 LYS HA H 64 3.994 4.221 -0.227 1
1 673 . 17 1 1 A 64 64 LYS CB C 64 31.766 32.110 -0.344 1
1 681 . 17 1 1 A 64 64 LYS C C 64 177.657 176.449 1.208 1
1 686 . 17 1 1 A 65 65 ASN N N 65 117.648 117.205 0.443 1
1 687 . 17 1 1 A 65 65 ASN H H 65 8.860 9.041 -0.181 1
1 688 . 17 1 1 A 65 65 ASN CA C 65 54.222 54.352 -0.130 1
1 689 . 17 1 1 A 65 65 ASN HA H 65 4.587 4.542 0.045 1
1 690 . 17 1 1 A 65 65 ASN CB C 65 38.313 37.506 0.807 1
1 695 . 17 1 1 A 65 65 ASN C C 65 173.302 173.884 -0.582 1
1 697 . 17 1 1 A 66 66 SER N N 66 112.701 112.902 -0.201 1
1 698 . 17 1 1 A 66 66 SER H H 66 7.367 7.129 0.238 1
1 699 . 17 1 1 A 66 66 SER CA C 66 57.766 57.046 0.720 1
1 700 . 17 1 1 A 66 66 SER HA H 66 5.112 5.210 -0.098 1
1 701 . 17 1 1 A 66 66 SER CB C 66 65.000 66.043 -1.043 1
1 703 . 17 1 1 A 66 66 SER C C 66 172.793 172.793 0.000 1
1 705 . 17 1 1 A 67 67 HIS N N 67 124.096 120.032 4.064 1
1 706 . 17 1 1 A 67 67 HIS H H 67 8.735 8.902 -0.167 1
1 707 . 17 1 1 A 67 67 HIS CA C 67 55.123 54.653 0.470 1
1 708 . 17 1 1 A 67 67 HIS HA H 67 4.975 4.970 0.005 1
1 709 . 17 1 1 A 67 67 HIS CB C 67 34.914 33.867 1.047 1
1 715 . 17 1 1 A 67 67 HIS C C 67 173.884 173.761 0.123 1
1 717 . 17 1 1 A 68 68 CYS N N 68 122.598 121.181 1.417 1
1 718 . 17 1 1 A 68 68 CYS H H 68 9.333 8.992 0.341 1
1 719 . 17 1 1 A 68 68 CYS CA C 68 56.907 57.569 -0.662 1
1 720 . 17 1 1 A 68 68 CYS HA H 68 5.311 5.230 0.081 1
1 721 . 17 1 1 A 68 68 CYS CB C 68 29.314 31.045 -1.731 1
1 723 . 17 1 1 A 68 68 CYS C C 68 173.554 172.995 0.559 1
1 725 . 17 1 1 A 69 69 VAL N N 69 128.613 126.309 2.304 1
1 726 . 17 1 1 A 69 69 VAL H H 69 9.074 8.827 0.247 1
1 727 . 17 1 1 A 69 69 VAL CA C 69 61.632 61.292 0.340 1
1 728 . 17 1 1 A 69 69 VAL HA H 69 4.725 5.025 -0.300 1
1 729 . 17 1 1 A 69 69 VAL CB C 69 32.387 34.043 -1.656 1
1 739 . 17 1 1 A 69 69 VAL C C 69 174.230 175.008 -0.778 1
1 740 . 17 1 1 A 70 70 ARG N N 70 128.053 126.199 1.854 1
1 741 . 17 1 1 A 70 70 ARG H H 70 9.052 8.753 0.299 1
1 742 . 17 1 1 A 70 70 ARG CA C 70 54.797 55.209 -0.412 1
1 743 . 17 1 1 A 70 70 ARG HA H 70 5.761 5.231 0.530 1
1 744 . 17 1 1 A 70 70 ARG CB C 70 34.395 31.726 2.669 1
1 751 . 17 1 1 A 70 70 ARG C C 70 175.918 175.441 0.477 1
1 755 . 17 1 1 A 71 71 PHE N N 71 122.942 116.830 6.112 1
1 756 . 17 1 1 A 71 71 PHE H H 71 8.702 8.259 0.443 1
1 757 . 17 1 1 A 71 71 PHE CA C 71 55.748 56.188 -0.440 1
1 758 . 17 1 1 A 71 71 PHE HA H 71 4.936 5.112 -0.176 1
1 759 . 17 1 1 A 71 71 PHE CB C 71 41.245 40.959 0.286 1
1 771 . 17 1 1 A 71 71 PHE C C 71 171.709 172.121 -0.412 1
1 773 . 17 1 1 A 72 72 VAL N N 72 122.214 120.469 1.745 1
1 774 . 17 1 1 A 72 72 VAL H H 72 8.512 8.788 -0.276 1
1 775 . 17 1 1 A 72 72 VAL CA C 72 58.398 59.264 -0.866 1
1 776 . 17 1 1 A 72 72 VAL HA H 72 4.752 4.546 0.206 1
1 777 . 17 1 1 A 72 72 VAL CB C 72 32.747 32.117 0.630 1
1 787 . 17 1 1 A 72 72 VAL C C 72 174.416 174.978 -0.562 1
1 788 . 17 1 1 A 73 73 PRO CA C 73 62.606 62.609 -0.003 1
1 789 . 17 1 1 A 73 73 PRO HA H 73 4.646 5.131 -0.485 1
1 790 . 17 1 1 A 73 73 PRO CB C 73 33.679 29.557 4.122 1
1 796 . 17 1 1 A 73 73 PRO C C 73 176.757 175.582 1.175 1
1 800 . 17 1 1 A 74 74 GLN N N 74 119.992 118.608 1.384 1
1 801 . 17 1 1 A 74 74 GLN H H 74 9.869 8.317 1.552 1
1 802 . 17 1 1 A 74 74 GLN CA C 74 55.156 54.318 0.838 1
1 803 . 17 1 1 A 74 74 GLN HA H 74 4.602 5.359 -0.757 1
1 804 . 17 1 1 A 74 74 GLN CB C 74 31.405 30.464 0.941 1
1 811 . 17 1 1 A 74 74 GLN C C 74 174.987 174.475 0.512 1
1 814 . 17 1 1 A 75 75 GLU N N 75 119.264 123.249 -3.985 1
1 815 . 17 1 1 A 75 75 GLU H H 75 8.009 8.879 -0.870 1
1 816 . 17 1 1 A 75 75 GLU CA C 75 54.138 54.159 -0.021 1
1 817 . 17 1 1 A 75 75 GLU HA H 75 4.657 4.758 -0.101 1
1 818 . 17 1 1 A 75 75 GLU CB C 75 34.046 32.938 1.108 1
1 822 . 17 1 1 A 75 75 GLU C C 75 173.922 175.983 -2.061 1
1 825 . 17 1 1 A 76 76 MET N N 76 117.176 119.493 -2.317 1
1 826 . 17 1 1 A 76 76 MET H H 76 8.450 8.629 -0.179 1
1 827 . 17 1 1 A 76 76 MET CA C 76 55.468 55.849 -0.381 1
1 828 . 17 1 1 A 76 76 MET HA H 76 4.275 4.668 -0.393 1
1 829 . 17 1 1 A 76 76 MET CB C 76 34.487 33.361 1.126 1
1 837 . 17 1 1 A 76 76 MET C C 76 175.964 175.741 0.223 1
1 840 . 17 1 1 A 77 77 GLY N N 77 106.906 105.774 1.132 1
1 841 . 17 1 1 A 77 77 GLY H H 77 9.058 7.615 1.443 1
1 842 . 17 1 1 A 77 77 GLY CA C 77 43.832 46.043 -2.211 1
1 843 . 17 1 1 A 77 77 GLY HA3 H 77 3.944 4.053 -0.109 1
1 844 . 17 1 1 A 77 77 GLY C C 77 176.459 172.136 4.323 1
1 845 . 17 1 1 A 77 77 GLY HA2 H 77 4.787 4.023 0.764 1
1 846 . 17 1 1 A 78 78 VAL N N 78 125.184 121.959 3.225 1
1 847 . 17 1 1 A 78 78 VAL H H 78 9.293 8.235 1.058 1
1 848 . 17 1 1 A 78 78 VAL CA C 78 64.999 61.985 3.014 1
1 849 . 17 1 1 A 78 78 VAL HA H 78 4.178 4.368 -0.190 1
1 850 . 17 1 1 A 78 78 VAL CB C 78 31.558 32.800 -1.242 1
1 860 . 17 1 1 A 78 78 VAL C C 78 175.942 174.853 1.089 1
1 861 . 17 1 1 A 79 79 HIS N N 79 128.345 126.788 1.557 1
1 862 . 17 1 1 A 79 79 HIS H H 79 9.553 8.608 0.945 1
1 863 . 17 1 1 A 79 79 HIS CA C 79 55.063 54.861 0.202 1
1 864 . 17 1 1 A 79 79 HIS HA H 79 4.798 5.137 -0.339 1
1 865 . 17 1 1 A 79 79 HIS CB C 79 31.489 31.347 0.142 1
1 871 . 17 1 1 A 79 79 HIS C C 79 174.069 174.388 -0.319 1
1 873 . 17 1 1 A 80 80 THR N N 80 114.672 117.802 -3.130 1
1 874 . 17 1 1 A 80 80 THR H H 80 8.452 8.488 -0.036 1
1 875 . 17 1 1 A 80 80 THR CA C 80 61.075 61.818 -0.743 1
1 876 . 17 1 1 A 80 80 THR HA H 80 5.213 5.370 -0.157 1
1 877 . 17 1 1 A 80 80 THR CB C 80 70.795 70.535 0.260 1
1 883 . 17 1 1 A 80 80 THR C C 80 173.863 173.619 0.244 1
1 884 . 17 1 1 A 81 81 VAL N N 81 127.546 128.743 -1.197 1
1 885 . 17 1 1 A 81 81 VAL H H 81 9.701 9.612 0.089 1
1 886 . 17 1 1 A 81 81 VAL CA C 81 60.799 60.675 0.124 1
1 887 . 17 1 1 A 81 81 VAL HA H 81 4.782 4.817 -0.035 1
1 888 . 17 1 1 A 81 81 VAL CB C 81 33.635 33.521 0.114 1
1 898 . 17 1 1 A 81 81 VAL C C 81 174.707 174.446 0.261 1
1 899 . 17 1 1 A 82 82 SER N N 82 123.308 122.832 0.476 1
1 900 . 17 1 1 A 82 82 SER H H 82 9.104 9.024 0.080 1
1 901 . 17 1 1 A 82 82 SER CA C 82 56.981 56.825 0.156 1
1 902 . 17 1 1 A 82 82 SER HA H 82 5.108 4.891 0.217 1
1 903 . 17 1 1 A 82 82 SER CB C 82 64.728 64.105 0.623 1
1 905 . 17 1 1 A 82 82 SER C C 82 173.688 173.387 0.301 1
1 907 . 17 1 1 A 83 83 VAL N N 83 129.049 127.948 1.101 1
1 908 . 17 1 1 A 83 83 VAL H H 83 9.925 9.176 0.749 1
1 909 . 17 1 1 A 83 83 VAL CA C 83 61.669 61.417 0.252 1
1 910 . 17 1 1 A 83 83 VAL HA H 83 4.897 4.793 0.104 1
1 911 . 17 1 1 A 83 83 VAL CB C 83 33.590 32.373 1.217 1
1 921 . 17 1 1 A 83 83 VAL C C 83 174.094 175.058 -0.964 1
1 922 . 17 1 1 A 84 84 LYS N N 84 123.792 126.916 -3.124 1
1 923 . 17 1 1 A 84 84 LYS H H 84 8.768 8.794 -0.026 1
1 924 . 17 1 1 A 84 84 LYS CA C 84 54.435 54.780 -0.345 1
1 925 . 17 1 1 A 84 84 LYS HA H 84 5.153 4.972 0.181 1
1 926 . 17 1 1 A 84 84 LYS CB C 84 37.608 35.035 2.573 1
1 934 . 17 1 1 A 84 84 LYS C C 84 174.908 174.684 0.224 1
1 939 . 17 1 1 A 85 85 TYR N N 85 120.439 124.035 -3.596 1
1 940 . 17 1 1 A 85 85 TYR H H 85 8.926 9.246 -0.320 1
1 941 . 17 1 1 A 85 85 TYR CA C 85 56.005 57.375 -1.370 1
1 942 . 17 1 1 A 85 85 TYR HA H 85 4.938 4.853 0.085 1
1 943 . 17 1 1 A 85 85 TYR CB C 85 41.386 40.656 0.730 1
1 953 . 17 1 1 A 85 85 TYR C C 85 175.255 175.012 0.243 1
1 955 . 17 1 1 A 86 86 ARG N N 86 127.150 128.710 -1.560 1
1 956 . 17 1 1 A 86 86 ARG H H 86 9.115 9.491 -0.376 1
1 957 . 17 1 1 A 86 86 ARG CA C 86 57.122 57.123 -0.001 1
1 958 . 17 1 1 A 86 86 ARG HA H 86 3.659 3.949 -0.290 1
1 959 . 17 1 1 A 86 86 ARG CB C 86 27.563 27.695 -0.132 1
1 965 . 17 1 1 A 86 86 ARG C C 86 176.482 176.241 0.241 1
1 969 . 17 1 1 A 87 87 GLY N N 87 102.394 104.874 -2.480 1
1 970 . 17 1 1 A 87 87 GLY H H 87 8.564 8.574 -0.010 1
1 971 . 17 1 1 A 87 87 GLY CA C 87 45.388 46.175 -0.787 1
1 972 . 17 1 1 A 87 87 GLY HA3 H 87 4.099 3.909 0.190 1
1 973 . 17 1 1 A 87 87 GLY C C 87 173.631 173.650 -0.019 1
1 974 . 17 1 1 A 87 87 GLY HA2 H 87 3.460 3.903 -0.443 1
1 975 . 17 1 1 A 88 88 GLN N N 88 119.060 119.054 0.006 1
1 976 . 17 1 1 A 88 88 GLN H H 88 7.665 7.867 -0.202 1
1 977 . 17 1 1 A 88 88 GLN CA C 88 53.265 54.346 -1.081 1
1 978 . 17 1 1 A 88 88 GLN HA H 88 4.749 4.830 -0.081 1
1 979 . 17 1 1 A 88 88 GLN CB C 88 31.383 31.938 -0.555 1
1 986 . 17 1 1 A 88 88 GLN C C 88 175.689 174.917 0.772 1
1 989 . 17 1 1 A 89 89 HIS N N 89 123.344 123.754 -0.410 1
1 990 . 17 1 1 A 89 89 HIS H H 89 8.789 8.881 -0.092 1
1 991 . 17 1 1 A 89 89 HIS CA C 89 59.011 56.667 2.344 1
1 992 . 17 1 1 A 89 89 HIS HA H 89 4.546 4.511 0.035 1
1 993 . 17 1 1 A 89 89 HIS CB C 89 32.365 29.219 3.146 1
1 999 . 17 1 1 A 89 89 HIS C C 89 178.152 175.408 2.744 1
1 1001 . 17 1 1 A 90 90 VAL N N 90 117.749 122.710 -4.961 1
1 1002 . 17 1 1 A 90 90 VAL H H 90 8.436 8.287 0.149 1
1 1003 . 17 1 1 A 90 90 VAL CA C 90 60.473 62.310 -1.837 1
1 1004 . 17 1 1 A 90 90 VAL HA H 90 4.535 4.011 0.524 1
1 1005 . 17 1 1 A 90 90 VAL CB C 90 32.489 33.157 -0.668 1
1 1015 . 17 1 1 A 90 90 VAL C C 90 176.018 175.485 0.533 1
1 1016 . 17 1 1 A 91 91 THR N N 91 118.099 116.945 1.154 1
1 1017 . 17 1 1 A 91 91 THR H H 91 8.491 8.478 0.013 1
1 1018 . 17 1 1 A 91 91 THR CA C 91 65.519 65.085 0.434 1
1 1019 . 17 1 1 A 91 91 THR HA H 91 3.924 3.847 0.077 1
1 1020 . 17 1 1 A 91 91 THR CB C 91 68.972 68.432 0.540 1
1 1026 . 17 1 1 A 91 91 THR C C 91 174.771 176.061 -1.290 1
1 1027 . 17 1 1 A 92 92 GLY N N 92 116.032 114.626 1.406 1
1 1028 . 17 1 1 A 92 92 GLY H H 92 8.563 8.804 -0.241 1
1 1029 . 17 1 1 A 92 92 GLY CA C 92 44.842 45.706 -0.864 1
1 1030 . 17 1 1 A 92 92 GLY HA3 H 92 4.213 3.849 0.364 1
1 1031 . 17 1 1 A 92 92 GLY C C 92 172.199 172.849 -0.650 1
1 1032 . 17 1 1 A 92 92 GLY HA2 H 92 3.361 3.791 -0.430 1
1 1033 . 17 1 1 A 93 93 SER N N 93 113.106 115.479 -2.373 1
1 1034 . 17 1 1 A 93 93 SER H H 93 7.806 7.370 0.436 1
1 1035 . 17 1 1 A 93 93 SER CA C 93 54.600 54.454 0.146 1
1 1036 . 17 1 1 A 93 93 SER HA H 93 4.159 4.216 -0.057 1
1 1037 . 17 1 1 A 93 93 SER CB C 93 62.787 64.972 -2.185 1
1 1039 . 17 1 1 A 93 93 SER C C 93 174.123 172.519 1.604 1
1 1041 . 17 1 1 A 94 94 PRO CA C 94 62.619 62.301 0.318 1
1 1042 . 17 1 1 A 94 94 PRO HA H 94 5.537 4.596 0.941 1
1 1043 . 17 1 1 A 94 94 PRO CB C 94 34.521 32.621 1.900 1
1 1049 . 17 1 1 A 94 94 PRO C C 94 176.046 175.051 0.995 1
1 1053 . 17 1 1 A 95 95 PHE N N 95 120.547 119.405 1.142 1
1 1054 . 17 1 1 A 95 95 PHE H H 95 9.127 8.930 0.197 1
1 1055 . 17 1 1 A 95 95 PHE CA C 95 56.700 57.318 -0.618 1
1 1056 . 17 1 1 A 95 95 PHE HA H 95 4.844 5.146 -0.302 1
1 1057 . 17 1 1 A 95 95 PHE CB C 95 41.285 42.279 -0.994 1
1 1069 . 17 1 1 A 95 95 PHE C C 95 175.219 175.300 -0.081 1
1 1071 . 17 1 1 A 96 96 GLN N N 96 120.382 120.368 0.014 1
1 1072 . 17 1 1 A 96 96 GLN H H 96 8.896 8.813 0.083 1
1 1073 . 17 1 1 A 96 96 GLN CA C 96 55.028 54.261 0.767 1
1 1074 . 17 1 1 A 96 96 GLN HA H 96 5.440 5.392 0.048 1
1 1075 . 17 1 1 A 96 96 GLN CB C 96 31.867 32.321 -0.454 1
1 1082 . 17 1 1 A 96 96 GLN C C 96 175.480 174.864 0.616 1
1 1085 . 17 1 1 A 97 97 PHE N N 97 121.331 119.497 1.834 1
1 1086 . 17 1 1 A 97 97 PHE H H 97 8.822 8.434 0.388 1
1 1087 . 17 1 1 A 97 97 PHE CA C 97 56.931 56.098 0.833 1
1 1088 . 17 1 1 A 97 97 PHE HA H 97 4.960 5.198 -0.238 1
1 1089 . 17 1 1 A 97 97 PHE CB C 97 42.133 42.067 0.066 1
1 1101 . 17 1 1 A 97 97 PHE C C 97 173.780 172.441 1.339 1
1 1103 . 17 1 1 A 98 98 THR N N 98 121.160 116.901 4.259 1
1 1104 . 17 1 1 A 98 98 THR H H 98 8.907 9.023 -0.116 1
1 1105 . 17 1 1 A 98 98 THR CA C 98 63.381 62.319 1.062 1
1 1106 . 17 1 1 A 98 98 THR HA H 98 4.487 4.611 -0.124 1
1 1107 . 17 1 1 A 98 98 THR CB C 98 69.599 69.781 -0.182 1
1 1113 . 17 1 1 A 98 98 THR C C 98 173.058 174.152 -1.094 1
1 1114 . 17 1 1 A 99 99 VAL N N 99 128.111 125.651 2.460 1
1 1115 . 17 1 1 A 99 99 VAL H H 99 8.240 8.585 -0.345 1
1 1116 . 17 1 1 A 99 99 VAL CA C 99 61.670 60.553 1.117 1
1 1117 . 17 1 1 A 99 99 VAL HA H 99 4.271 4.827 -0.556 1
1 1118 . 17 1 1 A 99 99 VAL CB C 99 32.962 33.877 -0.915 1
1 1128 . 17 1 1 A 99 99 VAL C C 99 176.689 175.331 1.358 1
1 1129 . 17 1 1 A 100 100 GLY N N 100 118.412 113.049 5.363 1
1 1130 . 17 1 1 A 100 100 GLY H H 100 8.946 8.297 0.649 1
1 1131 . 17 1 1 A 100 100 GLY CA C 100 44.504 44.330 0.174 1
1 1132 . 17 1 1 A 100 100 GLY HA3 H 100 4.506 4.377 0.129 1
1 1133 . 17 1 1 A 100 100 GLY C C 100 170.474 171.774 -1.300 1
1 1134 . 17 1 1 A 100 100 GLY HA2 H 100 4.136 4.375 -0.239 1
1 1135 . 17 1 1 A 101 101 PRO CA C 101 62.588 62.873 -0.285 1
1 1136 . 17 1 1 A 101 101 PRO HA H 101 4.525 4.571 -0.046 1
1 1137 . 17 1 1 A 101 101 PRO CB C 101 32.641 32.200 0.441 1
1 1143 . 17 1 1 A 101 101 PRO C C 101 176.696 176.191 0.505 1
1 1147 . 17 1 1 A 102 102 LEU N N 102 121.326 122.654 -1.328 1
1 1148 . 17 1 1 A 102 102 LEU H H 102 8.374 8.248 0.126 1
1 1149 . 17 1 1 A 102 102 LEU CA C 102 55.855 54.999 0.856 1
1 1150 . 17 1 1 A 102 102 LEU HA H 102 4.221 4.569 -0.348 1
1 1151 . 17 1 1 A 102 102 LEU CB C 102 42.652 42.845 -0.193 1
1 1163 . 17 1 1 A 102 102 LEU C C 102 178.005 175.801 2.204 1
1 1165 . 17 1 1 A 103 103 GLY N N 103 110.870 112.713 -1.843 1
1 1166 . 17 1 1 A 103 103 GLY H H 103 8.481 8.259 0.222 1
1 1167 . 17 1 1 A 103 103 GLY CA C 103 45.208 45.749 -0.541 1
1 1168 . 17 1 1 A 103 103 GLY HA3 H 103 3.927 4.107 -0.180 1
1 1169 . 17 1 1 A 103 103 GLY C C 103 174.126 171.958 2.168 1
1 1170 . 17 1 1 A 103 103 GLY HA2 H 103 3.991 4.105 -0.114 1
1 1171 . 17 1 1 A 104 104 GLU N N 104 120.771 125.411 -4.640 1
1 1172 . 17 1 1 A 104 104 GLU H H 104 8.308 8.741 -0.433 1
1 1173 . 17 1 1 A 104 104 GLU CA C 104 56.713 57.401 -0.688 1
1 1174 . 17 1 1 A 104 104 GLU HA H 104 4.318 4.341 -0.023 1
1 1175 . 17 1 1 A 104 104 GLU CB C 104 30.470 29.433 1.037 1
1 1179 . 17 1 1 A 104 104 GLU C C 104 177.052 177.340 -0.288 1
1 1182 . 17 1 1 A 105 105 GLY N N 105 110.589 113.424 -2.835 1
1 1183 . 17 1 1 A 105 105 GLY H H 105 8.546 8.842 -0.296 1
1 1184 . 17 1 1 A 105 105 GLY CA C 105 45.256 45.494 -0.238 1
1 1185 . 17 1 1 A 105 105 GLY HA3 H 105 3.925 3.884 0.041 1
1 1186 . 17 1 1 A 105 105 GLY C C 105 173.795 174.439 -0.644 1
1 1187 . 17 1 1 A 105 105 GLY HA2 H 105 3.992 3.884 0.108 1
1 1 . 18 1 1 A 7 7 GLY CA C 7 45.415 44.692 0.723 1
1 2 . 18 1 1 A 7 7 GLY HA3 H 7 3.972 4.150 -0.178 1
1 3 . 18 1 1 A 7 7 GLY C C 7 174.102 171.508 2.594 1
1 4 . 18 1 1 A 7 7 GLY HA2 H 7 3.972 4.150 -0.178 1
1 5 . 18 1 1 A 8 8 ARG N N 8 120.724 121.093 -0.369 1
1 6 . 18 1 1 A 8 8 ARG H H 8 8.124 8.406 -0.282 1
1 7 . 18 1 1 A 8 8 ARG CA C 8 56.123 54.950 1.173 1
1 8 . 18 1 1 A 8 8 ARG HA H 8 4.363 4.952 -0.589 1
1 9 . 18 1 1 A 8 8 ARG CB C 8 30.881 32.022 -1.141 1
1 15 . 18 1 1 A 8 8 ARG C C 8 176.487 175.287 1.200 1
1 19 . 18 1 1 A 9 9 VAL N N 9 121.839 122.563 -0.724 1
1 20 . 18 1 1 A 9 9 VAL H H 9 8.204 8.591 -0.387 1
1 21 . 18 1 1 A 9 9 VAL CA C 9 62.438 60.406 2.032 1
1 22 . 18 1 1 A 9 9 VAL HA H 9 4.081 4.599 -0.518 1
1 23 . 18 1 1 A 9 9 VAL CB C 9 32.773 34.112 -1.339 1
1 33 . 18 1 1 A 9 9 VAL C C 9 176.204 175.068 1.136 1
1 34 . 18 1 1 A 10 10 LYS N N 10 125.552 121.147 4.405 1
1 35 . 18 1 1 A 10 10 LYS H H 10 8.437 8.823 -0.386 1
1 36 . 18 1 1 A 10 10 LYS CA C 10 56.575 57.261 -0.686 1
1 37 . 18 1 1 A 10 10 LYS HA H 10 4.280 3.792 0.488 1
1 38 . 18 1 1 A 10 10 LYS CB C 10 33.046 30.041 3.005 1
1 46 . 18 1 1 A 10 10 LYS C C 10 176.486 174.989 1.497 1
1 51 . 18 1 1 A 11 11 GLU N N 11 122.741 118.761 3.980 1
1 52 . 18 1 1 A 11 11 GLU H H 11 8.490 7.814 0.676 1
1 53 . 18 1 1 A 11 11 GLU CA C 11 56.717 55.340 1.377 1
1 54 . 18 1 1 A 11 11 GLU HA H 11 4.303 4.801 -0.498 1
1 55 . 18 1 1 A 11 11 GLU CB C 11 30.422 33.638 -3.216 1
1 59 . 18 1 1 A 11 11 GLU C C 11 176.428 174.481 1.947 1
1 62 . 18 1 1 A 12 12 SER N N 12 117.227 117.855 -0.628 1
1 63 . 18 1 1 A 12 12 SER H H 12 8.434 8.598 -0.164 1
1 64 . 18 1 1 A 12 12 SER CA C 12 58.340 56.658 1.682 1
1 65 . 18 1 1 A 12 12 SER HA H 12 4.477 5.078 -0.601 1
1 66 . 18 1 1 A 12 12 SER CB C 12 63.670 65.570 -1.900 1
1 68 . 18 1 1 A 12 12 SER C C 12 174.574 174.206 0.368 1
1 70 . 18 1 1 A 13 13 ILE N N 13 122.704 121.625 1.079 1
1 71 . 18 1 1 A 13 13 ILE H H 13 8.189 8.766 -0.577 1
1 72 . 18 1 1 A 13 13 ILE CA C 13 61.364 60.485 0.879 1
1 73 . 18 1 1 A 13 13 ILE HA H 13 4.270 4.609 -0.339 1
1 74 . 18 1 1 A 13 13 ILE CB C 13 38.870 39.072 -0.202 1
1 86 . 18 1 1 A 13 13 ILE C C 13 176.445 175.677 0.768 1
1 88 . 18 1 1 A 14 14 THR N N 14 118.671 121.469 -2.798 1
1 89 . 18 1 1 A 14 14 THR H H 14 8.265 8.626 -0.361 1
1 90 . 18 1 1 A 14 14 THR CA C 14 62.080 62.512 -0.432 1
1 91 . 18 1 1 A 14 14 THR HA H 14 4.338 4.317 0.021 1
1 92 . 18 1 1 A 14 14 THR CB C 14 69.779 69.788 -0.009 1
1 98 . 18 1 1 A 14 14 THR C C 14 174.465 175.019 -0.554 1
1 99 . 18 1 1 A 15 15 ARG N N 15 124.132 124.381 -0.249 1
1 100 . 18 1 1 A 15 15 ARG H H 15 8.428 8.569 -0.141 1
1 101 . 18 1 1 A 15 15 ARG CA C 15 56.221 55.875 0.346 1
1 102 . 18 1 1 A 15 15 ARG HA H 15 4.447 4.454 -0.007 1
1 103 . 18 1 1 A 15 15 ARG CB C 15 30.949 28.847 2.102 1
1 109 . 18 1 1 A 15 15 ARG C C 15 176.374 174.702 1.672 1
1 113 . 18 1 1 A 16 16 THR N N 16 115.339 115.542 -0.203 1
1 114 . 18 1 1 A 16 16 THR H H 16 8.232 7.452 0.780 1
1 115 . 18 1 1 A 16 16 THR CA C 16 61.828 60.386 1.442 1
1 116 . 18 1 1 A 16 16 THR HA H 16 4.389 4.832 -0.443 1
1 117 . 18 1 1 A 16 16 THR CB C 16 69.896 70.067 -0.171 1
1 123 . 18 1 1 A 16 16 THR C C 16 174.518 172.914 1.604 1
1 124 . 18 1 1 A 17 17 SER N N 17 118.278 119.033 -0.755 1
1 125 . 18 1 1 A 17 17 SER H H 17 8.331 8.786 -0.455 1
1 126 . 18 1 1 A 17 17 SER CA C 17 58.326 58.694 -0.368 1
1 127 . 18 1 1 A 17 17 SER HA H 17 4.500 4.570 -0.070 1
1 128 . 18 1 1 A 17 17 SER CB C 17 63.918 63.735 0.183 1
1 130 . 18 1 1 A 17 17 SER C C 17 174.172 174.190 -0.018 1
1 132 . 18 1 1 A 18 18 ARG N N 18 122.935 120.238 2.697 1
1 133 . 18 1 1 A 18 18 ARG H H 18 8.376 7.803 0.573 1
1 134 . 18 1 1 A 18 18 ARG CA C 18 55.772 54.526 1.246 1
1 135 . 18 1 1 A 18 18 ARG HA H 18 4.386 4.884 -0.498 1
1 136 . 18 1 1 A 18 18 ARG CB C 18 31.073 33.742 -2.669 1
1 142 . 18 1 1 A 18 18 ARG C C 18 175.493 174.477 1.016 1
1 146 . 18 1 1 A 19 19 ALA N N 19 126.804 128.801 -1.997 1
1 147 . 18 1 1 A 19 19 ALA H H 19 8.357 8.739 -0.382 1
1 148 . 18 1 1 A 19 19 ALA CA C 19 50.553 50.860 -0.307 1
1 149 . 18 1 1 A 19 19 ALA HA H 19 4.585 4.640 -0.055 1
1 150 . 18 1 1 A 19 19 ALA CB C 19 18.208 18.250 -0.042 1
1 154 . 18 1 1 A 19 19 ALA C C 19 175.408 175.651 -0.243 1
1 155 . 18 1 1 A 20 20 PRO CA C 20 63.352 62.691 0.661 1
1 156 . 18 1 1 A 20 20 PRO HA H 20 4.455 4.717 -0.262 1
1 157 . 18 1 1 A 20 20 PRO CB C 20 32.196 33.177 -0.981 1
1 163 . 18 1 1 A 20 20 PRO C C 20 176.846 175.569 1.277 1
1 167 . 18 1 1 A 21 21 SER N N 21 116.414 115.877 0.537 1
1 168 . 18 1 1 A 21 21 SER H H 21 8.449 8.382 0.067 1
1 169 . 18 1 1 A 21 21 SER CA C 21 58.507 57.897 0.610 1
1 170 . 18 1 1 A 21 21 SER HA H 21 4.475 4.893 -0.418 1
1 171 . 18 1 1 A 21 21 SER CB C 21 63.851 66.543 -2.692 1
1 173 . 18 1 1 A 21 21 SER C C 21 174.344 172.673 1.671 1
1 175 . 18 1 1 A 22 22 VAL N N 22 120.580 124.940 -4.360 1
1 176 . 18 1 1 A 22 22 VAL H H 22 8.110 8.813 -0.703 1
1 177 . 18 1 1 A 22 22 VAL CA C 22 61.788 61.164 0.624 1
1 178 . 18 1 1 A 22 22 VAL HA H 22 4.293 4.895 -0.602 1
1 179 . 18 1 1 A 22 22 VAL CB C 22 33.445 33.517 -0.072 1
1 189 . 18 1 1 A 22 22 VAL C C 22 175.160 174.871 0.289 1
1 190 . 18 1 1 A 23 23 ALA N N 23 127.788 127.638 0.150 1
1 191 . 18 1 1 A 23 23 ALA H H 23 8.428 8.887 -0.459 1
1 192 . 18 1 1 A 23 23 ALA CA C 23 51.790 51.607 0.183 1
1 193 . 18 1 1 A 23 23 ALA HA H 23 4.594 4.874 -0.280 1
1 194 . 18 1 1 A 23 23 ALA CB C 23 21.050 23.410 -2.360 1
1 198 . 18 1 1 A 23 23 ALA C C 23 176.198 175.539 0.659 1
1 199 . 18 1 1 A 24 24 THR N N 24 115.139 114.060 1.079 1
1 200 . 18 1 1 A 24 24 THR H H 24 8.338 8.637 -0.299 1
1 201 . 18 1 1 A 24 24 THR CA C 24 60.519 61.553 -1.034 1
1 202 . 18 1 1 A 24 24 THR HA H 24 4.674 4.935 -0.261 1
1 203 . 18 1 1 A 24 24 THR CB C 24 72.048 71.355 0.693 1
1 209 . 18 1 1 A 24 24 THR C C 24 173.979 173.021 0.958 1
1 210 . 18 1 1 A 25 25 VAL N N 25 122.772 121.428 1.344 1
1 211 . 18 1 1 A 25 25 VAL H H 25 8.002 8.873 -0.871 1
1 212 . 18 1 1 A 25 25 VAL CA C 25 64.582 59.882 4.700 1
1 213 . 18 1 1 A 25 25 VAL HA H 25 3.280 4.752 -1.472 1
1 214 . 18 1 1 A 25 25 VAL CB C 25 32.102 34.387 -2.285 1
1 224 . 18 1 1 A 25 25 VAL C C 25 176.709 175.818 0.891 1
1 225 . 18 1 1 A 26 26 GLY N N 26 112.345 116.338 -3.993 1
1 226 . 18 1 1 A 26 26 GLY H H 26 8.344 8.987 -0.643 1
1 227 . 18 1 1 A 26 26 GLY CA C 26 45.534 46.538 -1.004 1
1 228 . 18 1 1 A 26 26 GLY HA3 H 26 4.166 3.936 0.230 1
1 229 . 18 1 1 A 26 26 GLY C C 26 173.701 173.497 0.204 1
1 230 . 18 1 1 A 26 26 GLY HA2 H 26 3.519 3.925 -0.406 1
1 231 . 18 1 1 A 27 27 SER N N 27 116.474 113.731 2.743 1
1 232 . 18 1 1 A 27 27 SER H H 27 7.738 7.710 0.028 1
1 233 . 18 1 1 A 27 27 SER CA C 27 57.264 57.505 -0.241 1
1 234 . 18 1 1 A 27 27 SER HA H 27 4.692 5.013 -0.321 1
1 235 . 18 1 1 A 27 27 SER CB C 27 65.270 66.812 -1.542 1
1 237 . 18 1 1 A 27 27 SER C C 27 172.491 173.333 -0.842 1
1 239 . 18 1 1 A 28 28 ILE N N 28 122.052 126.318 -4.266 1
1 240 . 18 1 1 A 28 28 ILE H H 28 8.350 8.696 -0.346 1
1 241 . 18 1 1 A 28 28 ILE CA C 28 62.995 62.416 0.579 1
1 242 . 18 1 1 A 28 28 ILE HA H 28 3.693 3.974 -0.281 1
1 243 . 18 1 1 A 28 28 ILE CB C 28 38.221 37.012 1.209 1
1 255 . 18 1 1 A 28 28 ILE C C 28 175.624 175.496 0.128 1
1 257 . 18 1 1 A 29 29 CYS N N 29 129.493 127.352 2.141 1
1 258 . 18 1 1 A 29 29 CYS H H 29 8.730 9.077 -0.347 1
1 259 . 18 1 1 A 29 29 CYS CA C 29 58.201 57.804 0.397 1
1 260 . 18 1 1 A 29 29 CYS HA H 29 4.451 4.787 -0.336 1
1 261 . 18 1 1 A 29 29 CYS CB C 29 28.560 29.028 -0.468 1
1 263 . 18 1 1 A 29 29 CYS C C 29 171.207 173.245 -2.038 1
1 265 . 18 1 1 A 30 30 ASP N N 30 123.789 125.868 -2.079 1
1 266 . 18 1 1 A 30 30 ASP H H 30 8.000 8.725 -0.725 1
1 267 . 18 1 1 A 30 30 ASP CA C 30 52.692 52.980 -0.288 1
1 268 . 18 1 1 A 30 30 ASP HA H 30 5.315 4.928 0.387 1
1 269 . 18 1 1 A 30 30 ASP CB C 30 43.397 41.534 1.863 1
1 271 . 18 1 1 A 30 30 ASP C C 30 175.569 174.562 1.007 1
1 273 . 18 1 1 A 31 31 LEU N N 31 125.116 126.200 -1.084 1
1 274 . 18 1 1 A 31 31 LEU H H 31 9.147 9.114 0.033 1
1 275 . 18 1 1 A 31 31 LEU CA C 31 53.606 53.711 -0.105 1
1 276 . 18 1 1 A 31 31 LEU HA H 31 4.515 4.698 -0.183 1
1 277 . 18 1 1 A 31 31 LEU CB C 31 43.262 43.816 -0.554 1
1 289 . 18 1 1 A 31 31 LEU C C 31 174.935 174.728 0.207 1
1 291 . 18 1 1 A 32 32 ASN N N 32 124.687 125.529 -0.842 1
1 292 . 18 1 1 A 32 32 ASN H H 32 8.690 8.634 0.056 1
1 293 . 18 1 1 A 32 32 ASN CA C 32 53.696 53.088 0.608 1
1 294 . 18 1 1 A 32 32 ASN HA H 32 5.077 5.044 0.033 1
1 295 . 18 1 1 A 32 32 ASN CB C 32 39.842 39.295 0.547 1
1 300 . 18 1 1 A 32 32 ASN C C 32 174.322 174.748 -0.426 1
1 302 . 18 1 1 A 33 33 LEU N N 33 123.838 125.722 -1.884 1
1 303 . 18 1 1 A 33 33 LEU H H 33 8.912 8.250 0.662 1
1 304 . 18 1 1 A 33 33 LEU CA C 33 53.820 53.357 0.463 1
1 305 . 18 1 1 A 33 33 LEU HA H 33 4.638 4.984 -0.346 1
1 306 . 18 1 1 A 33 33 LEU CB C 33 45.587 45.156 0.431 1
1 318 . 18 1 1 A 33 33 LEU C C 33 175.719 176.376 -0.657 1
1 320 . 18 1 1 A 34 34 LYS N N 34 124.925 118.232 6.693 1
1 321 . 18 1 1 A 34 34 LYS H H 34 8.718 8.436 0.282 1
1 322 . 18 1 1 A 34 34 LYS CA C 34 55.079 56.033 -0.954 1
1 323 . 18 1 1 A 34 34 LYS HA H 34 5.036 4.551 0.485 1
1 324 . 18 1 1 A 34 34 LYS CB C 34 32.121 31.739 0.382 1
1 332 . 18 1 1 A 34 34 LYS C C 34 176.081 176.801 -0.720 1
1 337 . 18 1 1 A 35 35 ILE N N 35 123.769 122.211 1.558 1
1 338 . 18 1 1 A 35 35 ILE H H 35 7.935 7.403 0.532 1
1 339 . 18 1 1 A 35 35 ILE CA C 35 58.161 60.339 -2.178 1
1 340 . 18 1 1 A 35 35 ILE HA H 35 4.612 4.190 0.422 1
1 341 . 18 1 1 A 35 35 ILE CB C 35 40.616 38.241 2.375 1
1 353 . 18 1 1 A 35 35 ILE C C 35 173.405 174.337 -0.932 1
1 355 . 18 1 1 A 36 36 PRO CA C 36 63.143 62.284 0.859 1
1 356 . 18 1 1 A 36 36 PRO HA H 36 4.435 4.582 -0.147 1
1 357 . 18 1 1 A 36 36 PRO CB C 36 32.806 33.282 -0.476 1
1 363 . 18 1 1 A 36 36 PRO C C 36 176.844 177.355 -0.511 1
1 367 . 18 1 1 A 37 37 GLU N N 37 114.188 120.135 -5.947 1
1 368 . 18 1 1 A 37 37 GLU H H 37 8.358 8.858 -0.500 1
1 369 . 18 1 1 A 37 37 GLU CA C 37 59.038 58.851 0.187 1
1 370 . 18 1 1 A 37 37 GLU HA H 37 3.916 4.447 -0.531 1
1 371 . 18 1 1 A 37 37 GLU CB C 37 28.206 28.778 -0.572 1
1 375 . 18 1 1 A 37 37 GLU C C 37 175.996 177.304 -1.308 1
1 378 . 18 1 1 A 38 38 ILE N N 38 118.733 124.024 -5.291 1
1 379 . 18 1 1 A 38 38 ILE H H 38 7.679 7.467 0.212 1
1 380 . 18 1 1 A 38 38 ILE CA C 38 60.711 62.164 -1.453 1
1 381 . 18 1 1 A 38 38 ILE HA H 38 4.029 3.808 0.221 1
1 382 . 18 1 1 A 38 38 ILE CB C 38 40.278 37.533 2.745 1
1 394 . 18 1 1 A 38 38 ILE C C 38 175.255 176.213 -0.958 1
1 396 . 18 1 1 A 39 39 ASN H H 39 8.593 8.703 -0.110 1
1 397 . 18 1 1 A 39 39 ASN CA C 39 52.929 53.438 -0.509 1
1 398 . 18 1 1 A 39 39 ASN HA H 39 4.921 4.891 0.030 1
1 399 . 18 1 1 A 39 39 ASN CB C 39 39.419 39.758 -0.339 1
1 404 . 18 1 1 A 39 39 ASN C C 39 176.891 176.161 0.730 1
1 406 . 18 1 1 A 40 40 SER N N 40 120.676 115.392 5.284 1
1 407 . 18 1 1 A 40 40 SER H H 40 8.995 8.419 0.576 1
1 408 . 18 1 1 A 40 40 SER CA C 40 62.318 59.215 3.103 1
1 409 . 18 1 1 A 40 40 SER HA H 40 4.058 4.223 -0.165 1
1 410 . 18 1 1 A 40 40 SER CB C 40 63.297 64.145 -0.848 1
1 412 . 18 1 1 A 40 40 SER C C 40 176.866 176.585 0.281 1
1 414 . 18 1 1 A 41 41 SER N N 41 112.249 116.413 -4.164 1
1 415 . 18 1 1 A 41 41 SER H H 41 8.253 8.395 -0.142 1
1 416 . 18 1 1 A 41 41 SER CA C 41 60.133 61.244 -1.111 1
1 417 . 18 1 1 A 41 41 SER HA H 41 4.348 4.295 0.053 1
1 418 . 18 1 1 A 41 41 SER CB C 41 62.986 62.827 0.159 1
1 420 . 18 1 1 A 41 41 SER C C 41 174.885 174.877 0.008 1
1 422 . 18 1 1 A 42 42 ASP N N 42 119.471 120.128 -0.657 1
1 423 . 18 1 1 A 42 42 ASP H H 42 7.835 7.848 -0.013 1
1 424 . 18 1 1 A 42 42 ASP CA C 42 54.713 55.123 -0.410 1
1 425 . 18 1 1 A 42 42 ASP HA H 42 4.933 4.685 0.248 1
1 426 . 18 1 1 A 42 42 ASP CB C 42 42.479 42.289 0.190 1
1 428 . 18 1 1 A 42 42 ASP C C 42 175.586 175.912 -0.326 1
1 430 . 18 1 1 A 43 43 MET N N 43 119.155 118.888 0.267 1
1 431 . 18 1 1 A 43 43 MET H H 43 7.549 7.822 -0.273 1
1 432 . 18 1 1 A 43 43 MET CA C 43 54.927 54.917 0.010 1
1 433 . 18 1 1 A 43 43 MET HA H 43 5.359 4.773 0.586 1
1 434 . 18 1 1 A 43 43 MET CB C 43 37.158 34.339 2.819 1
1 442 . 18 1 1 A 43 43 MET C C 43 174.894 175.222 -0.328 1
1 445 . 18 1 1 A 44 44 SER N N 44 114.070 112.609 1.461 1
1 446 . 18 1 1 A 44 44 SER H H 44 8.739 8.459 0.280 1
1 447 . 18 1 1 A 44 44 SER CA C 44 56.937 57.436 -0.499 1
1 448 . 18 1 1 A 44 44 SER HA H 44 4.700 5.377 -0.677 1
1 449 . 18 1 1 A 44 44 SER CB C 44 66.247 66.513 -0.266 1
1 451 . 18 1 1 A 44 44 SER C C 44 172.764 173.193 -0.429 1
1 453 . 18 1 1 A 45 45 ALA N N 45 126.192 125.338 0.854 1
1 454 . 18 1 1 A 45 45 ALA H H 45 9.123 8.861 0.262 1
1 455 . 18 1 1 A 45 45 ALA CA C 45 50.378 50.431 -0.053 1
1 456 . 18 1 1 A 45 45 ALA HA H 45 5.741 5.393 0.348 1
1 457 . 18 1 1 A 45 45 ALA CB C 45 23.330 21.845 1.485 1
1 461 . 18 1 1 A 45 45 ALA C C 45 175.089 176.062 -0.973 1
1 462 . 18 1 1 A 46 46 HIS N N 46 119.075 118.523 0.552 1
1 463 . 18 1 1 A 46 46 HIS H H 46 8.701 8.612 0.089 1
1 464 . 18 1 1 A 46 46 HIS CA C 46 55.999 54.775 1.224 1
1 465 . 18 1 1 A 46 46 HIS HA H 46 5.157 5.092 0.065 1
1 466 . 18 1 1 A 46 46 HIS CB C 46 34.239 33.563 0.676 1
1 472 . 18 1 1 A 46 46 HIS C C 46 174.155 173.935 0.220 1
1 474 . 18 1 1 A 47 47 VAL N N 47 125.059 123.917 1.142 1
1 475 . 18 1 1 A 47 47 VAL H H 47 9.488 8.393 1.095 1
1 476 . 18 1 1 A 47 47 VAL CA C 47 60.604 62.563 -1.959 1
1 477 . 18 1 1 A 47 47 VAL HA H 47 4.730 4.301 0.429 1
1 478 . 18 1 1 A 47 47 VAL CB C 47 33.769 32.099 1.670 1
1 488 . 18 1 1 A 47 47 VAL C C 47 175.126 175.905 -0.779 1
1 489 . 18 1 1 A 48 48 THR N N 48 124.473 123.464 1.009 1
1 490 . 18 1 1 A 48 48 THR H H 48 9.432 8.879 0.553 1
1 491 . 18 1 1 A 48 48 THR CA C 48 61.766 62.368 -0.602 1
1 492 . 18 1 1 A 48 48 THR HA H 48 5.164 4.507 0.657 1
1 493 . 18 1 1 A 48 48 THR CB C 48 69.384 69.603 -0.219 1
1 499 . 18 1 1 A 48 48 THR C C 48 174.573 174.435 0.138 1
1 500 . 18 1 1 A 49 49 SER N N 49 125.657 120.471 5.186 1
1 501 . 18 1 1 A 49 49 SER H H 49 9.043 9.182 -0.139 1
1 502 . 18 1 1 A 49 49 SER CA C 49 56.638 56.376 0.262 1
1 503 . 18 1 1 A 49 49 SER HA H 49 4.225 4.684 -0.459 1
1 504 . 18 1 1 A 49 49 SER CB C 49 62.948 64.033 -1.085 1
1 506 . 18 1 1 A 49 49 SER C C 49 174.034 174.247 -0.213 1
1 508 . 18 1 1 A 50 50 PRO CA C 50 65.784 64.194 1.590 1
1 509 . 18 1 1 A 50 50 PRO HA H 50 4.260 4.479 -0.219 1
1 510 . 18 1 1 A 50 50 PRO CB C 50 31.493 31.669 -0.176 1
1 516 . 18 1 1 A 50 50 PRO C C 50 177.687 176.902 0.785 1
1 520 . 18 1 1 A 51 51 SER N N 51 110.322 110.769 -0.447 1
1 521 . 18 1 1 A 51 51 SER H H 51 8.349 7.742 0.607 1
1 522 . 18 1 1 A 51 51 SER CA C 51 59.076 58.435 0.641 1
1 523 . 18 1 1 A 51 51 SER HA H 51 4.332 4.542 -0.210 1
1 524 . 18 1 1 A 51 51 SER CB C 51 62.825 65.308 -2.483 1
1 526 . 18 1 1 A 51 51 SER C C 51 175.363 175.035 0.328 1
1 528 . 18 1 1 A 52 52 GLY N N 52 111.132 109.572 1.560 1
1 529 . 18 1 1 A 52 52 GLY H H 52 8.289 7.792 0.497 1
1 530 . 18 1 1 A 52 52 GLY CA C 52 44.831 45.301 -0.470 1
1 531 . 18 1 1 A 52 52 GLY HA3 H 52 4.302 4.015 0.287 1
1 532 . 18 1 1 A 52 52 GLY C C 52 174.002 174.777 -0.775 1
1 533 . 18 1 1 A 52 52 GLY HA2 H 52 3.421 4.014 -0.593 1
1 534 . 18 1 1 A 53 53 ARG N N 53 121.515 120.829 0.686 1
1 535 . 18 1 1 A 53 53 ARG H H 53 7.322 7.823 -0.501 1
1 536 . 18 1 1 A 53 53 ARG CA C 53 56.749 56.783 -0.034 1
1 537 . 18 1 1 A 53 53 ARG HA H 53 4.222 4.272 -0.050 1
1 538 . 18 1 1 A 53 53 ARG CB C 53 30.430 31.495 -1.065 1
1 544 . 18 1 1 A 53 53 ARG C C 53 176.023 174.746 1.277 1
1 548 . 18 1 1 A 54 54 VAL N N 54 128.383 120.966 7.417 1
1 549 . 18 1 1 A 54 54 VAL H H 54 8.780 8.458 0.322 1
1 550 . 18 1 1 A 54 54 VAL CA C 54 61.533 60.686 0.847 1
1 551 . 18 1 1 A 54 54 VAL HA H 54 5.243 4.890 0.353 1
1 552 . 18 1 1 A 54 54 VAL CB C 54 33.205 35.862 -2.657 1
1 562 . 18 1 1 A 54 54 VAL C C 54 176.783 174.894 1.889 1
1 563 . 18 1 1 A 55 55 THR N N 55 121.757 122.756 -0.999 1
1 564 . 18 1 1 A 55 55 THR H H 55 9.188 9.082 0.106 1
1 565 . 18 1 1 A 55 55 THR CA C 55 60.216 60.332 -0.116 1
1 566 . 18 1 1 A 55 55 THR HA H 55 4.751 5.012 -0.261 1
1 567 . 18 1 1 A 55 55 THR CB C 55 71.896 72.419 -0.523 1
1 573 . 18 1 1 A 55 55 THR C C 55 173.454 172.870 0.584 1
1 574 . 18 1 1 A 56 56 GLU N N 56 125.373 124.096 1.277 1
1 575 . 18 1 1 A 56 56 GLU H H 56 8.927 8.930 -0.003 1
1 576 . 18 1 1 A 56 56 GLU CA C 56 57.019 54.912 2.107 1
1 577 . 18 1 1 A 56 56 GLU HA H 56 4.365 4.736 -0.371 1
1 578 . 18 1 1 A 56 56 GLU CB C 56 30.230 31.887 -1.657 1
1 582 . 18 1 1 A 56 56 GLU C C 56 175.556 175.119 0.437 1
1 585 . 18 1 1 A 57 57 ALA N N 57 128.204 127.274 0.930 1
1 586 . 18 1 1 A 57 57 ALA H H 57 8.201 8.617 -0.416 1
1 587 . 18 1 1 A 57 57 ALA CA C 57 50.068 49.966 0.102 1
1 588 . 18 1 1 A 57 57 ALA HA H 57 4.827 5.308 -0.481 1
1 589 . 18 1 1 A 57 57 ALA CB C 57 21.531 23.501 -1.970 1
1 593 . 18 1 1 A 57 57 ALA C C 57 175.178 174.901 0.277 1
1 594 . 18 1 1 A 58 58 GLU N N 58 120.950 120.654 0.296 1
1 595 . 18 1 1 A 58 58 GLU H H 58 8.202 8.815 -0.613 1
1 596 . 18 1 1 A 58 58 GLU CA C 58 55.505 55.231 0.274 1
1 597 . 18 1 1 A 58 58 GLU HA H 58 4.509 5.046 -0.537 1
1 598 . 18 1 1 A 58 58 GLU CB C 58 32.301 32.484 -0.183 1
1 602 . 18 1 1 A 58 58 GLU C C 58 175.025 175.051 -0.026 1
1 605 . 18 1 1 A 59 59 ILE N N 59 122.574 126.084 -3.510 1
1 606 . 18 1 1 A 59 59 ILE H H 59 8.578 8.899 -0.321 1
1 607 . 18 1 1 A 59 59 ILE CA C 59 60.355 60.066 0.289 1
1 608 . 18 1 1 A 59 59 ILE HA H 59 4.954 4.724 0.230 1
1 609 . 18 1 1 A 59 59 ILE CB C 59 38.374 39.602 -1.228 1
1 621 . 18 1 1 A 59 59 ILE C C 59 175.709 174.823 0.886 1
1 623 . 18 1 1 A 60 60 VAL N N 60 129.074 128.057 1.017 1
1 624 . 18 1 1 A 60 60 VAL H H 60 9.543 9.037 0.506 1
1 625 . 18 1 1 A 60 60 VAL CA C 60 58.472 59.007 -0.535 1
1 626 . 18 1 1 A 60 60 VAL HA H 60 4.737 4.564 0.173 1
1 627 . 18 1 1 A 60 60 VAL CB C 60 34.522 32.322 2.200 1
1 637 . 18 1 1 A 60 60 VAL C C 60 174.024 174.701 -0.677 1
1 638 . 18 1 1 A 61 61 PRO CA C 61 63.313 62.515 0.798 1
1 639 . 18 1 1 A 61 61 PRO HA H 61 4.611 4.711 -0.100 1
1 640 . 18 1 1 A 61 61 PRO CB C 61 32.270 31.768 0.502 1
1 646 . 18 1 1 A 61 61 PRO C C 61 177.388 176.395 0.993 1
1 650 . 18 1 1 A 62 62 MET N N 62 122.153 120.603 1.550 1
1 651 . 18 1 1 A 62 62 MET H H 62 7.843 8.877 -1.034 1
1 652 . 18 1 1 A 62 62 MET CA C 62 53.470 57.698 -4.228 1
1 653 . 18 1 1 A 62 62 MET HA H 62 4.765 4.333 0.432 1
1 654 . 18 1 1 A 62 62 MET CB C 62 33.144 32.873 0.271 1
1 662 . 18 1 1 A 62 62 MET C C 62 175.742 176.455 -0.713 1
1 665 . 18 1 1 A 63 63 GLY N N 63 109.196 103.327 5.869 1
1 666 . 18 1 1 A 63 63 GLY H H 63 7.757 7.297 0.460 1
1 667 . 18 1 1 A 63 63 GLY CA C 63 44.092 45.906 -1.814 1
1 668 . 18 1 1 A 63 63 GLY HA3 H 63 4.193 4.096 0.097 1
1 669 . 18 1 1 A 63 63 GLY C C 63 173.451 172.069 1.382 1
1 670 . 18 1 1 A 63 63 GLY HA2 H 63 3.757 4.094 -0.337 1
1 671 . 18 1 1 A 64 64 LYS CA C 64 58.104 56.094 2.010 1
1 672 . 18 1 1 A 64 64 LYS HA H 64 3.994 4.238 -0.244 1
1 673 . 18 1 1 A 64 64 LYS CB C 64 31.766 32.075 -0.309 1
1 681 . 18 1 1 A 64 64 LYS C C 64 177.657 176.377 1.280 1
1 686 . 18 1 1 A 65 65 ASN N N 65 117.648 117.049 0.599 1
1 687 . 18 1 1 A 65 65 ASN H H 65 8.860 8.970 -0.110 1
1 688 . 18 1 1 A 65 65 ASN CA C 65 54.222 54.523 -0.301 1
1 689 . 18 1 1 A 65 65 ASN HA H 65 4.587 4.279 0.308 1
1 690 . 18 1 1 A 65 65 ASN CB C 65 38.313 37.335 0.978 1
1 695 . 18 1 1 A 65 65 ASN C C 65 173.302 173.482 -0.180 1
1 697 . 18 1 1 A 66 66 SER N N 66 112.701 112.655 0.046 1
1 698 . 18 1 1 A 66 66 SER H H 66 7.367 7.583 -0.216 1
1 699 . 18 1 1 A 66 66 SER CA C 66 57.766 56.367 1.399 1
1 700 . 18 1 1 A 66 66 SER HA H 66 5.112 4.921 0.191 1
1 701 . 18 1 1 A 66 66 SER CB C 66 65.000 65.831 -0.831 1
1 703 . 18 1 1 A 66 66 SER C C 66 172.793 172.567 0.226 1
1 705 . 18 1 1 A 67 67 HIS N N 67 124.096 122.155 1.941 1
1 706 . 18 1 1 A 67 67 HIS H H 67 8.735 8.908 -0.173 1
1 707 . 18 1 1 A 67 67 HIS CA C 67 55.123 54.695 0.428 1
1 708 . 18 1 1 A 67 67 HIS HA H 67 4.975 4.960 0.015 1
1 709 . 18 1 1 A 67 67 HIS CB C 67 34.914 33.943 0.971 1
1 715 . 18 1 1 A 67 67 HIS C C 67 173.884 173.558 0.326 1
1 717 . 18 1 1 A 68 68 CYS N N 68 122.598 123.943 -1.345 1
1 718 . 18 1 1 A 68 68 CYS H H 68 9.333 8.834 0.499 1
1 719 . 18 1 1 A 68 68 CYS CA C 68 56.907 56.926 -0.019 1
1 720 . 18 1 1 A 68 68 CYS HA H 68 5.311 4.956 0.355 1
1 721 . 18 1 1 A 68 68 CYS CB C 68 29.314 30.354 -1.040 1
1 723 . 18 1 1 A 68 68 CYS C C 68 173.554 172.984 0.570 1
1 725 . 18 1 1 A 69 69 VAL N N 69 128.613 127.355 1.258 1
1 726 . 18 1 1 A 69 69 VAL H H 69 9.074 8.719 0.355 1
1 727 . 18 1 1 A 69 69 VAL CA C 69 61.632 61.566 0.066 1
1 728 . 18 1 1 A 69 69 VAL HA H 69 4.725 4.687 0.038 1
1 729 . 18 1 1 A 69 69 VAL CB C 69 32.387 32.958 -0.571 1
1 739 . 18 1 1 A 69 69 VAL C C 69 174.230 175.306 -1.076 1
1 740 . 18 1 1 A 70 70 ARG N N 70 128.053 126.044 2.009 1
1 741 . 18 1 1 A 70 70 ARG H H 70 9.052 8.306 0.746 1
1 742 . 18 1 1 A 70 70 ARG CA C 70 54.797 54.670 0.127 1
1 743 . 18 1 1 A 70 70 ARG HA H 70 5.761 4.888 0.873 1
1 744 . 18 1 1 A 70 70 ARG CB C 70 34.395 32.602 1.793 1
1 751 . 18 1 1 A 70 70 ARG C C 70 175.918 175.010 0.908 1
1 755 . 18 1 1 A 71 71 PHE N N 71 122.942 119.693 3.249 1
1 756 . 18 1 1 A 71 71 PHE H H 71 8.702 8.057 0.645 1
1 757 . 18 1 1 A 71 71 PHE CA C 71 55.748 56.251 -0.503 1
1 758 . 18 1 1 A 71 71 PHE HA H 71 4.936 5.118 -0.182 1
1 759 . 18 1 1 A 71 71 PHE CB C 71 41.245 40.927 0.318 1
1 771 . 18 1 1 A 71 71 PHE C C 71 171.709 172.127 -0.418 1
1 773 . 18 1 1 A 72 72 VAL N N 72 122.214 120.465 1.749 1
1 774 . 18 1 1 A 72 72 VAL H H 72 8.512 8.925 -0.413 1
1 775 . 18 1 1 A 72 72 VAL CA C 72 58.398 59.487 -1.089 1
1 776 . 18 1 1 A 72 72 VAL HA H 72 4.752 4.705 0.047 1
1 777 . 18 1 1 A 72 72 VAL CB C 72 32.747 32.294 0.453 1
1 787 . 18 1 1 A 72 72 VAL C C 72 174.416 175.212 -0.796 1
1 788 . 18 1 1 A 73 73 PRO CA C 73 62.606 62.660 -0.054 1
1 789 . 18 1 1 A 73 73 PRO HA H 73 4.646 4.991 -0.345 1
1 790 . 18 1 1 A 73 73 PRO CB C 73 33.679 29.778 3.901 1
1 796 . 18 1 1 A 73 73 PRO C C 73 176.757 175.594 1.163 1
1 800 . 18 1 1 A 74 74 GLN N N 74 119.992 118.176 1.816 1
1 801 . 18 1 1 A 74 74 GLN H H 74 9.869 8.278 1.591 1
1 802 . 18 1 1 A 74 74 GLN CA C 74 55.156 54.258 0.898 1
1 803 . 18 1 1 A 74 74 GLN HA H 74 4.602 5.295 -0.693 1
1 804 . 18 1 1 A 74 74 GLN CB C 74 31.405 30.502 0.903 1
1 811 . 18 1 1 A 74 74 GLN C C 74 174.987 174.094 0.893 1
1 814 . 18 1 1 A 75 75 GLU N N 75 119.264 124.385 -5.121 1
1 815 . 18 1 1 A 75 75 GLU H H 75 8.009 8.965 -0.956 1
1 816 . 18 1 1 A 75 75 GLU CA C 75 54.138 55.031 -0.893 1
1 817 . 18 1 1 A 75 75 GLU HA H 75 4.657 4.789 -0.132 1
1 818 . 18 1 1 A 75 75 GLU CB C 75 34.046 32.909 1.137 1
1 822 . 18 1 1 A 75 75 GLU C C 75 173.922 175.054 -1.132 1
1 825 . 18 1 1 A 76 76 MET N N 76 117.176 120.360 -3.184 1
1 826 . 18 1 1 A 76 76 MET H H 76 8.450 8.646 -0.196 1
1 827 . 18 1 1 A 76 76 MET CA C 76 55.468 55.833 -0.365 1
1 828 . 18 1 1 A 76 76 MET HA H 76 4.275 4.756 -0.481 1
1 829 . 18 1 1 A 76 76 MET CB C 76 34.487 33.363 1.124 1
1 837 . 18 1 1 A 76 76 MET C C 76 175.964 176.156 -0.192 1
1 840 . 18 1 1 A 77 77 GLY N N 77 106.906 105.796 1.110 1
1 841 . 18 1 1 A 77 77 GLY H H 77 9.058 7.719 1.339 1
1 842 . 18 1 1 A 77 77 GLY CA C 77 43.832 45.693 -1.861 1
1 843 . 18 1 1 A 77 77 GLY HA3 H 77 3.944 4.060 -0.116 1
1 844 . 18 1 1 A 77 77 GLY C C 77 176.459 172.506 3.953 1
1 845 . 18 1 1 A 77 77 GLY HA2 H 77 4.787 4.032 0.755 1
1 846 . 18 1 1 A 78 78 VAL N N 78 125.184 122.354 2.830 1
1 847 . 18 1 1 A 78 78 VAL H H 78 9.293 8.192 1.101 1
1 848 . 18 1 1 A 78 78 VAL CA C 78 64.999 62.097 2.902 1
1 849 . 18 1 1 A 78 78 VAL HA H 78 4.178 4.409 -0.231 1
1 850 . 18 1 1 A 78 78 VAL CB C 78 31.558 32.654 -1.096 1
1 860 . 18 1 1 A 78 78 VAL C C 78 175.942 174.803 1.139 1
1 861 . 18 1 1 A 79 79 HIS N N 79 128.345 125.822 2.523 1
1 862 . 18 1 1 A 79 79 HIS H H 79 9.553 8.783 0.770 1
1 863 . 18 1 1 A 79 79 HIS CA C 79 55.063 54.170 0.893 1
1 864 . 18 1 1 A 79 79 HIS HA H 79 4.798 5.177 -0.379 1
1 865 . 18 1 1 A 79 79 HIS CB C 79 31.489 31.368 0.121 1
1 871 . 18 1 1 A 79 79 HIS C C 79 174.069 174.337 -0.268 1
1 873 . 18 1 1 A 80 80 THR N N 80 114.672 116.143 -1.471 1
1 874 . 18 1 1 A 80 80 THR H H 80 8.452 8.243 0.209 1
1 875 . 18 1 1 A 80 80 THR CA C 80 61.075 61.587 -0.512 1
1 876 . 18 1 1 A 80 80 THR HA H 80 5.213 5.206 0.007 1
1 877 . 18 1 1 A 80 80 THR CB C 80 70.795 71.722 -0.927 1
1 883 . 18 1 1 A 80 80 THR C C 80 173.863 173.042 0.821 1
1 884 . 18 1 1 A 81 81 VAL N N 81 127.546 128.953 -1.407 1
1 885 . 18 1 1 A 81 81 VAL H H 81 9.701 9.632 0.069 1
1 886 . 18 1 1 A 81 81 VAL CA C 81 60.799 61.927 -1.128 1
1 887 . 18 1 1 A 81 81 VAL HA H 81 4.782 4.680 0.102 1
1 888 . 18 1 1 A 81 81 VAL CB C 81 33.635 32.643 0.992 1
1 898 . 18 1 1 A 81 81 VAL C C 81 174.707 175.383 -0.676 1
1 899 . 18 1 1 A 82 82 SER N N 82 123.308 124.567 -1.259 1
1 900 . 18 1 1 A 82 82 SER H H 82 9.104 9.014 0.090 1
1 901 . 18 1 1 A 82 82 SER CA C 82 56.981 58.160 -1.179 1
1 902 . 18 1 1 A 82 82 SER HA H 82 5.108 4.954 0.154 1
1 903 . 18 1 1 A 82 82 SER CB C 82 64.728 63.399 1.329 1
1 905 . 18 1 1 A 82 82 SER C C 82 173.688 173.849 -0.161 1
1 907 . 18 1 1 A 83 83 VAL N N 83 129.049 127.520 1.529 1
1 908 . 18 1 1 A 83 83 VAL H H 83 9.925 8.961 0.964 1
1 909 . 18 1 1 A 83 83 VAL CA C 83 61.669 61.575 0.094 1
1 910 . 18 1 1 A 83 83 VAL HA H 83 4.897 4.718 0.179 1
1 911 . 18 1 1 A 83 83 VAL CB C 83 33.590 32.539 1.051 1
1 921 . 18 1 1 A 83 83 VAL C C 83 174.094 175.094 -1.000 1
1 922 . 18 1 1 A 84 84 LYS N N 84 123.792 127.454 -3.662 1
1 923 . 18 1 1 A 84 84 LYS H H 84 8.768 8.700 0.068 1
1 924 . 18 1 1 A 84 84 LYS CA C 84 54.435 54.416 0.019 1
1 925 . 18 1 1 A 84 84 LYS HA H 84 5.153 4.853 0.300 1
1 926 . 18 1 1 A 84 84 LYS CB C 84 37.608 35.676 1.932 1
1 934 . 18 1 1 A 84 84 LYS C C 84 174.908 174.405 0.503 1
1 939 . 18 1 1 A 85 85 TYR N N 85 120.439 123.807 -3.368 1
1 940 . 18 1 1 A 85 85 TYR H H 85 8.926 9.303 -0.377 1
1 941 . 18 1 1 A 85 85 TYR CA C 85 56.005 57.539 -1.534 1
1 942 . 18 1 1 A 85 85 TYR HA H 85 4.938 4.845 0.093 1
1 943 . 18 1 1 A 85 85 TYR CB C 85 41.386 40.974 0.412 1
1 953 . 18 1 1 A 85 85 TYR C C 85 175.255 174.925 0.330 1
1 955 . 18 1 1 A 86 86 ARG N N 86 127.150 128.407 -1.257 1
1 956 . 18 1 1 A 86 86 ARG H H 86 9.115 9.667 -0.552 1
1 957 . 18 1 1 A 86 86 ARG CA C 86 57.122 56.977 0.145 1
1 958 . 18 1 1 A 86 86 ARG HA H 86 3.659 3.829 -0.170 1
1 959 . 18 1 1 A 86 86 ARG CB C 86 27.563 27.557 0.006 1
1 965 . 18 1 1 A 86 86 ARG C C 86 176.482 176.383 0.099 1
1 969 . 18 1 1 A 87 87 GLY N N 87 102.394 104.461 -2.067 1
1 970 . 18 1 1 A 87 87 GLY H H 87 8.564 8.601 -0.037 1
1 971 . 18 1 1 A 87 87 GLY CA C 87 45.388 46.118 -0.730 1
1 972 . 18 1 1 A 87 87 GLY HA3 H 87 4.099 3.862 0.237 1
1 973 . 18 1 1 A 87 87 GLY C C 87 173.631 173.592 0.039 1
1 974 . 18 1 1 A 87 87 GLY HA2 H 87 3.460 3.859 -0.399 1
1 975 . 18 1 1 A 88 88 GLN N N 88 119.060 119.182 -0.122 1
1 976 . 18 1 1 A 88 88 GLN H H 88 7.665 7.807 -0.142 1
1 977 . 18 1 1 A 88 88 GLN CA C 88 53.265 54.291 -1.026 1
1 978 . 18 1 1 A 88 88 GLN HA H 88 4.749 4.820 -0.071 1
1 979 . 18 1 1 A 88 88 GLN CB C 88 31.383 32.015 -0.632 1
1 986 . 18 1 1 A 88 88 GLN C C 88 175.689 174.874 0.815 1
1 989 . 18 1 1 A 89 89 HIS N N 89 123.344 123.071 0.273 1
1 990 . 18 1 1 A 89 89 HIS H H 89 8.789 8.766 0.023 1
1 991 . 18 1 1 A 89 89 HIS CA C 89 59.011 57.590 1.421 1
1 992 . 18 1 1 A 89 89 HIS HA H 89 4.546 4.500 0.046 1
1 993 . 18 1 1 A 89 89 HIS CB C 89 32.365 30.134 2.231 1
1 999 . 18 1 1 A 89 89 HIS C C 89 178.152 176.055 2.097 1
1 1001 . 18 1 1 A 90 90 VAL N N 90 117.749 121.220 -3.471 1
1 1002 . 18 1 1 A 90 90 VAL H H 90 8.436 8.403 0.033 1
1 1003 . 18 1 1 A 90 90 VAL CA C 90 60.473 61.880 -1.407 1
1 1004 . 18 1 1 A 90 90 VAL HA H 90 4.535 4.119 0.416 1
1 1005 . 18 1 1 A 90 90 VAL CB C 90 32.489 33.418 -0.929 1
1 1015 . 18 1 1 A 90 90 VAL C C 90 176.018 175.532 0.486 1
1 1016 . 18 1 1 A 91 91 THR N N 91 118.099 116.183 1.916 1
1 1017 . 18 1 1 A 91 91 THR H H 91 8.491 8.465 0.026 1
1 1018 . 18 1 1 A 91 91 THR CA C 91 65.519 65.106 0.413 1
1 1019 . 18 1 1 A 91 91 THR HA H 91 3.924 3.802 0.122 1
1 1020 . 18 1 1 A 91 91 THR CB C 91 68.972 68.471 0.501 1
1 1026 . 18 1 1 A 91 91 THR C C 91 174.771 175.898 -1.127 1
1 1027 . 18 1 1 A 92 92 GLY N N 92 116.032 114.850 1.182 1
1 1028 . 18 1 1 A 92 92 GLY H H 92 8.563 8.969 -0.406 1
1 1029 . 18 1 1 A 92 92 GLY CA C 92 44.842 46.792 -1.950 1
1 1030 . 18 1 1 A 92 92 GLY HA3 H 92 4.213 3.826 0.387 1
1 1031 . 18 1 1 A 92 92 GLY C C 92 172.199 173.231 -1.032 1
1 1032 . 18 1 1 A 92 92 GLY HA2 H 92 3.361 3.750 -0.389 1
1 1033 . 18 1 1 A 93 93 SER N N 93 113.106 114.800 -1.694 1
1 1034 . 18 1 1 A 93 93 SER H H 93 7.806 7.291 0.515 1
1 1035 . 18 1 1 A 93 93 SER CA C 93 54.600 54.462 0.138 1
1 1036 . 18 1 1 A 93 93 SER HA H 93 4.159 4.225 -0.066 1
1 1037 . 18 1 1 A 93 93 SER CB C 93 62.787 65.740 -2.953 1
1 1039 . 18 1 1 A 93 93 SER C C 93 174.123 171.974 2.149 1
1 1041 . 18 1 1 A 94 94 PRO CA C 94 62.619 62.288 0.331 1
1 1042 . 18 1 1 A 94 94 PRO HA H 94 5.537 4.573 0.964 1
1 1043 . 18 1 1 A 94 94 PRO CB C 94 34.521 33.055 1.466 1
1 1049 . 18 1 1 A 94 94 PRO C C 94 176.046 174.931 1.115 1
1 1053 . 18 1 1 A 95 95 PHE N N 95 120.547 119.726 0.821 1
1 1054 . 18 1 1 A 95 95 PHE H H 95 9.127 8.774 0.353 1
1 1055 . 18 1 1 A 95 95 PHE CA C 95 56.700 56.863 -0.163 1
1 1056 . 18 1 1 A 95 95 PHE HA H 95 4.844 5.059 -0.215 1
1 1057 . 18 1 1 A 95 95 PHE CB C 95 41.285 40.753 0.532 1
1 1069 . 18 1 1 A 95 95 PHE C C 95 175.219 175.171 0.048 1
1 1071 . 18 1 1 A 96 96 GLN N N 96 120.382 125.478 -5.096 1
1 1072 . 18 1 1 A 96 96 GLN H H 96 8.896 9.062 -0.166 1
1 1073 . 18 1 1 A 96 96 GLN CA C 96 55.028 55.177 -0.149 1
1 1074 . 18 1 1 A 96 96 GLN HA H 96 5.440 4.979 0.461 1
1 1075 . 18 1 1 A 96 96 GLN CB C 96 31.867 29.930 1.937 1
1 1082 . 18 1 1 A 96 96 GLN C C 96 175.480 175.209 0.271 1
1 1085 . 18 1 1 A 97 97 PHE N N 97 121.331 121.235 0.096 1
1 1086 . 18 1 1 A 97 97 PHE H H 97 8.822 8.891 -0.069 1
1 1087 . 18 1 1 A 97 97 PHE CA C 97 56.931 56.327 0.604 1
1 1088 . 18 1 1 A 97 97 PHE HA H 97 4.960 5.170 -0.210 1
1 1089 . 18 1 1 A 97 97 PHE CB C 97 42.133 41.858 0.275 1
1 1101 . 18 1 1 A 97 97 PHE C C 97 173.780 172.162 1.618 1
1 1103 . 18 1 1 A 98 98 THR N N 98 121.160 116.531 4.629 1
1 1104 . 18 1 1 A 98 98 THR H H 98 8.907 8.853 0.054 1
1 1105 . 18 1 1 A 98 98 THR CA C 98 63.381 62.031 1.350 1
1 1106 . 18 1 1 A 98 98 THR HA H 98 4.487 4.724 -0.237 1
1 1107 . 18 1 1 A 98 98 THR CB C 98 69.599 69.963 -0.364 1
1 1113 . 18 1 1 A 98 98 THR C C 98 173.058 173.867 -0.809 1
1 1114 . 18 1 1 A 99 99 VAL N N 99 128.111 125.239 2.872 1
1 1115 . 18 1 1 A 99 99 VAL H H 99 8.240 8.556 -0.316 1
1 1116 . 18 1 1 A 99 99 VAL CA C 99 61.670 60.181 1.489 1
1 1117 . 18 1 1 A 99 99 VAL HA H 99 4.271 4.979 -0.708 1
1 1118 . 18 1 1 A 99 99 VAL CB C 99 32.962 34.291 -1.329 1
1 1128 . 18 1 1 A 99 99 VAL C C 99 176.689 175.802 0.887 1
1 1129 . 18 1 1 A 100 100 GLY N N 100 118.412 111.873 6.539 1
1 1130 . 18 1 1 A 100 100 GLY H H 100 8.946 8.175 0.771 1
1 1131 . 18 1 1 A 100 100 GLY CA C 100 44.504 45.418 -0.914 1
1 1132 . 18 1 1 A 100 100 GLY HA3 H 100 4.506 4.192 0.314 1
1 1133 . 18 1 1 A 100 100 GLY C C 100 170.474 171.117 -0.643 1
1 1134 . 18 1 1 A 100 100 GLY HA2 H 100 4.136 4.191 -0.055 1
1 1135 . 18 1 1 A 101 101 PRO CA C 101 62.588 62.805 -0.217 1
1 1136 . 18 1 1 A 101 101 PRO HA H 101 4.525 4.626 -0.101 1
1 1137 . 18 1 1 A 101 101 PRO CB C 101 32.641 33.170 -0.529 1
1 1143 . 18 1 1 A 101 101 PRO C C 101 176.696 175.293 1.403 1
1 1147 . 18 1 1 A 102 102 LEU N N 102 121.326 121.969 -0.643 1
1 1148 . 18 1 1 A 102 102 LEU H H 102 8.374 8.390 -0.016 1
1 1149 . 18 1 1 A 102 102 LEU CA C 102 55.855 53.438 2.417 1
1 1150 . 18 1 1 A 102 102 LEU HA H 102 4.221 4.988 -0.767 1
1 1151 . 18 1 1 A 102 102 LEU CB C 102 42.652 44.863 -2.211 1
1 1163 . 18 1 1 A 102 102 LEU C C 102 178.005 175.342 2.663 1
1 1165 . 18 1 1 A 103 103 GLY N N 103 110.870 111.749 -0.879 1
1 1166 . 18 1 1 A 103 103 GLY H H 103 8.481 8.371 0.110 1
1 1167 . 18 1 1 A 103 103 GLY CA C 103 45.208 45.637 -0.429 1
1 1168 . 18 1 1 A 103 103 GLY HA3 H 103 3.927 4.168 -0.241 1
1 1169 . 18 1 1 A 103 103 GLY C C 103 174.126 173.622 0.504 1
1 1170 . 18 1 1 A 103 103 GLY HA2 H 103 3.991 4.167 -0.176 1
1 1171 . 18 1 1 A 104 104 GLU N N 104 120.771 125.125 -4.354 1
1 1172 . 18 1 1 A 104 104 GLU H H 104 8.308 8.806 -0.498 1
1 1173 . 18 1 1 A 104 104 GLU CA C 104 56.713 57.767 -1.054 1
1 1174 . 18 1 1 A 104 104 GLU HA H 104 4.318 4.530 -0.212 1
1 1175 . 18 1 1 A 104 104 GLU CB C 104 30.470 32.816 -2.346 1
1 1179 . 18 1 1 A 104 104 GLU C C 104 177.052 176.555 0.497 1
1 1182 . 18 1 1 A 105 105 GLY N N 105 110.589 108.279 2.310 1
1 1183 . 18 1 1 A 105 105 GLY H H 105 8.546 8.162 0.384 1
1 1184 . 18 1 1 A 105 105 GLY CA C 105 45.256 47.064 -1.808 1
1 1185 . 18 1 1 A 105 105 GLY HA3 H 105 3.925 3.978 -0.053 1
1 1186 . 18 1 1 A 105 105 GLY C C 105 173.795 175.002 -1.207 1
1 1187 . 18 1 1 A 105 105 GLY HA2 H 105 3.992 3.978 0.014 1
1 1 . 19 1 1 A 7 7 GLY CA C 7 45.415 46.555 -1.140 1
1 2 . 19 1 1 A 7 7 GLY HA3 H 7 3.972 3.847 0.125 1
1 3 . 19 1 1 A 7 7 GLY C C 7 174.102 174.541 -0.439 1
1 4 . 19 1 1 A 7 7 GLY HA2 H 7 3.972 3.846 0.126 1
1 5 . 19 1 1 A 8 8 ARG N N 8 120.724 120.758 -0.034 1
1 6 . 19 1 1 A 8 8 ARG H H 8 8.124 7.794 0.330 1
1 7 . 19 1 1 A 8 8 ARG CA C 8 56.123 54.816 1.307 1
1 8 . 19 1 1 A 8 8 ARG HA H 8 4.363 4.429 -0.066 1
1 9 . 19 1 1 A 8 8 ARG CB C 8 30.881 29.620 1.261 1
1 15 . 19 1 1 A 8 8 ARG C C 8 176.487 174.892 1.595 1
1 19 . 19 1 1 A 9 9 VAL N N 9 121.839 123.871 -2.032 1
1 20 . 19 1 1 A 9 9 VAL H H 9 8.204 8.157 0.047 1
1 21 . 19 1 1 A 9 9 VAL CA C 9 62.438 61.069 1.369 1
1 22 . 19 1 1 A 9 9 VAL HA H 9 4.081 4.627 -0.546 1
1 23 . 19 1 1 A 9 9 VAL CB C 9 32.773 32.699 0.074 1
1 33 . 19 1 1 A 9 9 VAL C C 9 176.204 173.718 2.486 1
1 34 . 19 1 1 A 10 10 LYS N N 10 125.552 128.719 -3.167 1
1 35 . 19 1 1 A 10 10 LYS H H 10 8.437 8.755 -0.318 1
1 36 . 19 1 1 A 10 10 LYS CA C 10 56.575 54.679 1.896 1
1 37 . 19 1 1 A 10 10 LYS HA H 10 4.280 4.813 -0.533 1
1 38 . 19 1 1 A 10 10 LYS CB C 10 33.046 33.548 -0.502 1
1 46 . 19 1 1 A 10 10 LYS C C 10 176.486 175.880 0.606 1
1 51 . 19 1 1 A 11 11 GLU N N 11 122.741 126.390 -3.649 1
1 52 . 19 1 1 A 11 11 GLU H H 11 8.490 8.701 -0.211 1
1 53 . 19 1 1 A 11 11 GLU CA C 11 56.717 56.901 -0.184 1
1 54 . 19 1 1 A 11 11 GLU HA H 11 4.303 4.258 0.045 1
1 55 . 19 1 1 A 11 11 GLU CB C 11 30.422 29.882 0.540 1
1 59 . 19 1 1 A 11 11 GLU C C 11 176.428 175.779 0.649 1
1 62 . 19 1 1 A 12 12 SER N N 12 117.227 117.342 -0.115 1
1 63 . 19 1 1 A 12 12 SER H H 12 8.434 8.567 -0.133 1
1 64 . 19 1 1 A 12 12 SER CA C 12 58.340 57.044 1.296 1
1 65 . 19 1 1 A 12 12 SER HA H 12 4.477 4.996 -0.519 1
1 66 . 19 1 1 A 12 12 SER CB C 12 63.670 64.367 -0.697 1
1 68 . 19 1 1 A 12 12 SER C C 12 174.574 173.145 1.429 1
1 70 . 19 1 1 A 13 13 ILE N N 13 122.704 123.246 -0.542 1
1 71 . 19 1 1 A 13 13 ILE H H 13 8.189 8.586 -0.397 1
1 72 . 19 1 1 A 13 13 ILE CA C 13 61.364 62.254 -0.890 1
1 73 . 19 1 1 A 13 13 ILE HA H 13 4.270 4.232 0.038 1
1 74 . 19 1 1 A 13 13 ILE CB C 13 38.870 38.883 -0.013 1
1 86 . 19 1 1 A 13 13 ILE C C 13 176.445 175.536 0.909 1
1 88 . 19 1 1 A 14 14 THR N N 14 118.671 112.544 6.127 1
1 89 . 19 1 1 A 14 14 THR H H 14 8.265 7.478 0.787 1
1 90 . 19 1 1 A 14 14 THR CA C 14 62.080 61.337 0.743 1
1 91 . 19 1 1 A 14 14 THR HA H 14 4.338 4.556 -0.218 1
1 92 . 19 1 1 A 14 14 THR CB C 14 69.779 71.283 -1.504 1
1 98 . 19 1 1 A 14 14 THR C C 14 174.465 171.808 2.657 1
1 99 . 19 1 1 A 15 15 ARG N N 15 124.132 127.871 -3.739 1
1 100 . 19 1 1 A 15 15 ARG H H 15 8.428 8.763 -0.335 1
1 101 . 19 1 1 A 15 15 ARG CA C 15 56.221 54.914 1.307 1
1 102 . 19 1 1 A 15 15 ARG HA H 15 4.447 4.797 -0.350 1
1 103 . 19 1 1 A 15 15 ARG CB C 15 30.949 33.519 -2.570 1
1 109 . 19 1 1 A 15 15 ARG C C 15 176.374 176.474 -0.100 1
1 113 . 19 1 1 A 16 16 THR N N 16 115.339 120.129 -4.790 1
1 114 . 19 1 1 A 16 16 THR H H 16 8.232 8.860 -0.628 1
1 115 . 19 1 1 A 16 16 THR CA C 16 61.828 65.772 -3.944 1
1 116 . 19 1 1 A 16 16 THR HA H 16 4.389 3.935 0.454 1
1 117 . 19 1 1 A 16 16 THR CB C 16 69.896 68.204 1.692 1
1 123 . 19 1 1 A 16 16 THR C C 16 174.518 175.102 -0.584 1
1 124 . 19 1 1 A 17 17 SER N N 17 118.278 113.275 5.003 1
1 125 . 19 1 1 A 17 17 SER H H 17 8.331 7.689 0.642 1
1 126 . 19 1 1 A 17 17 SER CA C 17 58.326 56.564 1.762 1
1 127 . 19 1 1 A 17 17 SER HA H 17 4.500 4.744 -0.244 1
1 128 . 19 1 1 A 17 17 SER CB C 17 63.918 63.925 -0.007 1
1 130 . 19 1 1 A 17 17 SER C C 17 174.172 173.622 0.550 1
1 132 . 19 1 1 A 18 18 ARG N N 18 122.935 124.009 -1.074 1
1 133 . 19 1 1 A 18 18 ARG H H 18 8.376 8.589 -0.213 1
1 134 . 19 1 1 A 18 18 ARG CA C 18 55.772 56.305 -0.533 1
1 135 . 19 1 1 A 18 18 ARG HA H 18 4.386 4.231 0.155 1
1 136 . 19 1 1 A 18 18 ARG CB C 18 31.073 30.459 0.614 1
1 142 . 19 1 1 A 18 18 ARG C C 18 175.493 175.629 -0.136 1
1 146 . 19 1 1 A 19 19 ALA N N 19 126.804 124.386 2.418 1
1 147 . 19 1 1 A 19 19 ALA H H 19 8.357 8.471 -0.114 1
1 148 . 19 1 1 A 19 19 ALA CA C 19 50.553 51.073 -0.520 1
1 149 . 19 1 1 A 19 19 ALA HA H 19 4.585 4.423 0.162 1
1 150 . 19 1 1 A 19 19 ALA CB C 19 18.208 17.926 0.282 1
1 154 . 19 1 1 A 19 19 ALA C C 19 175.408 175.804 -0.396 1
1 155 . 19 1 1 A 20 20 PRO CA C 20 63.352 62.660 0.692 1
1 156 . 19 1 1 A 20 20 PRO HA H 20 4.455 4.737 -0.282 1
1 157 . 19 1 1 A 20 20 PRO CB C 20 32.196 33.006 -0.810 1
1 163 . 19 1 1 A 20 20 PRO C C 20 176.846 175.737 1.109 1
1 167 . 19 1 1 A 21 21 SER N N 21 116.414 115.796 0.618 1
1 168 . 19 1 1 A 21 21 SER H H 21 8.449 8.195 0.254 1
1 169 . 19 1 1 A 21 21 SER CA C 21 58.507 57.975 0.532 1
1 170 . 19 1 1 A 21 21 SER HA H 21 4.475 4.832 -0.357 1
1 171 . 19 1 1 A 21 21 SER CB C 21 63.851 66.123 -2.272 1
1 173 . 19 1 1 A 21 21 SER C C 21 174.344 173.761 0.583 1
1 175 . 19 1 1 A 22 22 VAL N N 22 120.580 126.669 -6.089 1
1 176 . 19 1 1 A 22 22 VAL H H 22 8.110 8.290 -0.180 1
1 177 . 19 1 1 A 22 22 VAL CA C 22 61.788 63.420 -1.632 1
1 178 . 19 1 1 A 22 22 VAL HA H 22 4.293 3.964 0.329 1
1 179 . 19 1 1 A 22 22 VAL CB C 22 33.445 31.249 2.196 1
1 189 . 19 1 1 A 22 22 VAL C C 22 175.160 175.111 0.049 1
1 190 . 19 1 1 A 23 23 ALA N N 23 127.788 130.745 -2.957 1
1 191 . 19 1 1 A 23 23 ALA H H 23 8.428 8.798 -0.370 1
1 192 . 19 1 1 A 23 23 ALA CA C 23 51.790 50.083 1.707 1
1 193 . 19 1 1 A 23 23 ALA HA H 23 4.594 5.227 -0.633 1
1 194 . 19 1 1 A 23 23 ALA CB C 23 21.050 21.704 -0.654 1
1 198 . 19 1 1 A 23 23 ALA C C 23 176.198 175.992 0.206 1
1 199 . 19 1 1 A 24 24 THR N N 24 115.139 118.086 -2.947 1
1 200 . 19 1 1 A 24 24 THR H H 24 8.338 8.640 -0.302 1
1 201 . 19 1 1 A 24 24 THR CA C 24 60.519 61.525 -1.006 1
1 202 . 19 1 1 A 24 24 THR HA H 24 4.674 4.761 -0.087 1
1 203 . 19 1 1 A 24 24 THR CB C 24 72.048 70.402 1.646 1
1 209 . 19 1 1 A 24 24 THR C C 24 173.979 173.548 0.431 1
1 210 . 19 1 1 A 25 25 VAL N N 25 122.772 121.089 1.683 1
1 211 . 19 1 1 A 25 25 VAL H H 25 8.002 8.787 -0.785 1
1 212 . 19 1 1 A 25 25 VAL CA C 25 64.582 60.063 4.519 1
1 213 . 19 1 1 A 25 25 VAL HA H 25 3.280 4.619 -1.339 1
1 214 . 19 1 1 A 25 25 VAL CB C 25 32.102 34.365 -2.263 1
1 224 . 19 1 1 A 25 25 VAL C C 25 176.709 175.883 0.826 1
1 225 . 19 1 1 A 26 26 GLY N N 26 112.345 116.261 -3.916 1
1 226 . 19 1 1 A 26 26 GLY H H 26 8.344 8.984 -0.640 1
1 227 . 19 1 1 A 26 26 GLY CA C 26 45.534 46.463 -0.929 1
1 228 . 19 1 1 A 26 26 GLY HA3 H 26 4.166 3.912 0.254 1
1 229 . 19 1 1 A 26 26 GLY C C 26 173.701 173.542 0.159 1
1 230 . 19 1 1 A 26 26 GLY HA2 H 26 3.519 3.899 -0.380 1
1 231 . 19 1 1 A 27 27 SER N N 27 116.474 113.852 2.622 1
1 232 . 19 1 1 A 27 27 SER H H 27 7.738 7.680 0.058 1
1 233 . 19 1 1 A 27 27 SER CA C 27 57.264 57.443 -0.179 1
1 234 . 19 1 1 A 27 27 SER HA H 27 4.692 4.981 -0.289 1
1 235 . 19 1 1 A 27 27 SER CB C 27 65.270 66.838 -1.568 1
1 237 . 19 1 1 A 27 27 SER C C 27 172.491 173.372 -0.881 1
1 239 . 19 1 1 A 28 28 ILE N N 28 122.052 126.366 -4.314 1
1 240 . 19 1 1 A 28 28 ILE H H 28 8.350 8.578 -0.228 1
1 241 . 19 1 1 A 28 28 ILE CA C 28 62.995 62.125 0.870 1
1 242 . 19 1 1 A 28 28 ILE HA H 28 3.693 3.956 -0.263 1
1 243 . 19 1 1 A 28 28 ILE CB C 28 38.221 36.828 1.393 1
1 255 . 19 1 1 A 28 28 ILE C C 28 175.624 175.250 0.374 1
1 257 . 19 1 1 A 29 29 CYS N N 29 129.493 126.877 2.616 1
1 258 . 19 1 1 A 29 29 CYS H H 29 8.730 8.932 -0.202 1
1 259 . 19 1 1 A 29 29 CYS CA C 29 58.201 57.673 0.528 1
1 260 . 19 1 1 A 29 29 CYS HA H 29 4.451 4.749 -0.298 1
1 261 . 19 1 1 A 29 29 CYS CB C 29 28.560 28.867 -0.307 1
1 263 . 19 1 1 A 29 29 CYS C C 29 171.207 173.516 -2.309 1
1 265 . 19 1 1 A 30 30 ASP N N 30 123.789 127.433 -3.644 1
1 266 . 19 1 1 A 30 30 ASP H H 30 8.000 8.418 -0.418 1
1 267 . 19 1 1 A 30 30 ASP CA C 30 52.692 54.412 -1.720 1
1 268 . 19 1 1 A 30 30 ASP HA H 30 5.315 4.731 0.584 1
1 269 . 19 1 1 A 30 30 ASP CB C 30 43.397 41.204 2.193 1
1 271 . 19 1 1 A 30 30 ASP C C 30 175.569 175.135 0.434 1
1 273 . 19 1 1 A 31 31 LEU N N 31 125.116 127.114 -1.998 1
1 274 . 19 1 1 A 31 31 LEU H H 31 9.147 8.837 0.310 1
1 275 . 19 1 1 A 31 31 LEU CA C 31 53.606 53.447 0.159 1
1 276 . 19 1 1 A 31 31 LEU HA H 31 4.515 4.892 -0.377 1
1 277 . 19 1 1 A 31 31 LEU CB C 31 43.262 44.442 -1.180 1
1 289 . 19 1 1 A 31 31 LEU C C 31 174.935 175.343 -0.408 1
1 291 . 19 1 1 A 32 32 ASN N N 32 124.687 125.260 -0.573 1
1 292 . 19 1 1 A 32 32 ASN H H 32 8.690 8.738 -0.048 1
1 293 . 19 1 1 A 32 32 ASN CA C 32 53.696 52.835 0.861 1
1 294 . 19 1 1 A 32 32 ASN HA H 32 5.077 4.978 0.099 1
1 295 . 19 1 1 A 32 32 ASN CB C 32 39.842 38.524 1.318 1
1 300 . 19 1 1 A 32 32 ASN C C 32 174.322 174.607 -0.285 1
1 302 . 19 1 1 A 33 33 LEU N N 33 123.838 126.350 -2.512 1
1 303 . 19 1 1 A 33 33 LEU H H 33 8.912 8.954 -0.042 1
1 304 . 19 1 1 A 33 33 LEU CA C 33 53.820 53.809 0.011 1
1 305 . 19 1 1 A 33 33 LEU HA H 33 4.638 4.758 -0.120 1
1 306 . 19 1 1 A 33 33 LEU CB C 33 45.587 42.635 2.952 1
1 318 . 19 1 1 A 33 33 LEU C C 33 175.719 175.955 -0.236 1
1 320 . 19 1 1 A 34 34 LYS N N 34 124.925 124.338 0.587 1
1 321 . 19 1 1 A 34 34 LYS H H 34 8.718 8.732 -0.014 1
1 322 . 19 1 1 A 34 34 LYS CA C 34 55.079 56.205 -1.126 1
1 323 . 19 1 1 A 34 34 LYS HA H 34 5.036 4.575 0.461 1
1 324 . 19 1 1 A 34 34 LYS CB C 34 32.121 32.257 -0.136 1
1 332 . 19 1 1 A 34 34 LYS C C 34 176.081 175.241 0.840 1
1 337 . 19 1 1 A 35 35 ILE N N 35 123.769 125.520 -1.751 1
1 338 . 19 1 1 A 35 35 ILE H H 35 7.935 8.291 -0.356 1
1 339 . 19 1 1 A 35 35 ILE CA C 35 58.161 57.556 0.605 1
1 340 . 19 1 1 A 35 35 ILE HA H 35 4.612 4.596 0.016 1
1 341 . 19 1 1 A 35 35 ILE CB C 35 40.616 41.531 -0.915 1
1 353 . 19 1 1 A 35 35 ILE C C 35 173.405 174.125 -0.720 1
1 355 . 19 1 1 A 36 36 PRO CA C 36 63.143 62.319 0.824 1
1 356 . 19 1 1 A 36 36 PRO HA H 36 4.435 4.923 -0.488 1
1 357 . 19 1 1 A 36 36 PRO CB C 36 32.806 33.276 -0.470 1
1 363 . 19 1 1 A 36 36 PRO C C 36 176.844 176.730 0.114 1
1 367 . 19 1 1 A 37 37 GLU N N 37 114.188 119.538 -5.350 1
1 368 . 19 1 1 A 37 37 GLU H H 37 8.358 8.731 -0.373 1
1 369 . 19 1 1 A 37 37 GLU CA C 37 59.038 59.426 -0.388 1
1 370 . 19 1 1 A 37 37 GLU HA H 37 3.916 4.024 -0.108 1
1 371 . 19 1 1 A 37 37 GLU CB C 37 28.206 29.347 -1.141 1
1 375 . 19 1 1 A 37 37 GLU C C 37 175.996 177.542 -1.546 1
1 378 . 19 1 1 A 38 38 ILE N N 38 118.733 123.121 -4.388 1
1 379 . 19 1 1 A 38 38 ILE H H 38 7.679 7.383 0.296 1
1 380 . 19 1 1 A 38 38 ILE CA C 38 60.711 62.238 -1.527 1
1 381 . 19 1 1 A 38 38 ILE HA H 38 4.029 3.830 0.199 1
1 382 . 19 1 1 A 38 38 ILE CB C 38 40.278 37.545 2.733 1
1 394 . 19 1 1 A 38 38 ILE C C 38 175.255 176.262 -1.007 1
1 396 . 19 1 1 A 39 39 ASN H H 39 8.593 8.540 0.053 1
1 397 . 19 1 1 A 39 39 ASN CA C 39 52.929 53.785 -0.856 1
1 398 . 19 1 1 A 39 39 ASN HA H 39 4.921 4.755 0.166 1
1 399 . 19 1 1 A 39 39 ASN CB C 39 39.419 39.725 -0.306 1
1 404 . 19 1 1 A 39 39 ASN C C 39 176.891 175.233 1.658 1
1 406 . 19 1 1 A 40 40 SER N N 40 120.676 117.449 3.227 1
1 407 . 19 1 1 A 40 40 SER H H 40 8.995 8.934 0.061 1
1 408 . 19 1 1 A 40 40 SER CA C 40 62.318 61.111 1.207 1
1 409 . 19 1 1 A 40 40 SER HA H 40 4.058 4.348 -0.290 1
1 410 . 19 1 1 A 40 40 SER CB C 40 63.297 63.673 -0.376 1
1 412 . 19 1 1 A 40 40 SER C C 40 176.866 175.997 0.869 1
1 414 . 19 1 1 A 41 41 SER N N 41 112.249 118.481 -6.232 1
1 415 . 19 1 1 A 41 41 SER H H 41 8.253 8.081 0.172 1
1 416 . 19 1 1 A 41 41 SER CA C 41 60.133 61.443 -1.310 1
1 417 . 19 1 1 A 41 41 SER HA H 41 4.348 4.263 0.085 1
1 418 . 19 1 1 A 41 41 SER CB C 41 62.986 63.160 -0.174 1
1 420 . 19 1 1 A 41 41 SER C C 41 174.885 175.634 -0.749 1
1 422 . 19 1 1 A 42 42 ASP N N 42 119.471 118.460 1.011 1
1 423 . 19 1 1 A 42 42 ASP H H 42 7.835 7.818 0.017 1
1 424 . 19 1 1 A 42 42 ASP CA C 42 54.713 55.789 -1.076 1
1 425 . 19 1 1 A 42 42 ASP HA H 42 4.933 4.639 0.294 1
1 426 . 19 1 1 A 42 42 ASP CB C 42 42.479 41.618 0.861 1
1 428 . 19 1 1 A 42 42 ASP C C 42 175.586 176.681 -1.095 1
1 430 . 19 1 1 A 43 43 MET N N 43 119.155 118.678 0.477 1
1 431 . 19 1 1 A 43 43 MET H H 43 7.549 8.014 -0.465 1
1 432 . 19 1 1 A 43 43 MET CA C 43 54.927 55.109 -0.182 1
1 433 . 19 1 1 A 43 43 MET HA H 43 5.359 4.909 0.450 1
1 434 . 19 1 1 A 43 43 MET CB C 43 37.158 34.237 2.921 1
1 442 . 19 1 1 A 43 43 MET C C 43 174.894 175.198 -0.304 1
1 445 . 19 1 1 A 44 44 SER N N 44 114.070 112.496 1.574 1
1 446 . 19 1 1 A 44 44 SER H H 44 8.739 8.496 0.243 1
1 447 . 19 1 1 A 44 44 SER CA C 44 56.937 57.306 -0.369 1
1 448 . 19 1 1 A 44 44 SER HA H 44 4.700 5.397 -0.697 1
1 449 . 19 1 1 A 44 44 SER CB C 44 66.247 65.904 0.343 1
1 451 . 19 1 1 A 44 44 SER C C 44 172.764 172.985 -0.221 1
1 453 . 19 1 1 A 45 45 ALA N N 45 126.192 127.110 -0.918 1
1 454 . 19 1 1 A 45 45 ALA H H 45 9.123 9.038 0.085 1
1 455 . 19 1 1 A 45 45 ALA CA C 45 50.378 50.347 0.031 1
1 456 . 19 1 1 A 45 45 ALA HA H 45 5.741 5.386 0.355 1
1 457 . 19 1 1 A 45 45 ALA CB C 45 23.330 21.059 2.271 1
1 461 . 19 1 1 A 45 45 ALA C C 45 175.089 176.281 -1.192 1
1 462 . 19 1 1 A 46 46 HIS N N 46 119.075 119.060 0.015 1
1 463 . 19 1 1 A 46 46 HIS H H 46 8.701 8.627 0.074 1
1 464 . 19 1 1 A 46 46 HIS CA C 46 55.999 54.800 1.199 1
1 465 . 19 1 1 A 46 46 HIS HA H 46 5.157 5.124 0.033 1
1 466 . 19 1 1 A 46 46 HIS CB C 46 34.239 33.557 0.682 1
1 472 . 19 1 1 A 46 46 HIS C C 46 174.155 173.898 0.257 1
1 474 . 19 1 1 A 47 47 VAL N N 47 125.059 123.516 1.543 1
1 475 . 19 1 1 A 47 47 VAL H H 47 9.488 8.798 0.690 1
1 476 . 19 1 1 A 47 47 VAL CA C 47 60.604 61.935 -1.331 1
1 477 . 19 1 1 A 47 47 VAL HA H 47 4.730 4.535 0.195 1
1 478 . 19 1 1 A 47 47 VAL CB C 47 33.769 32.445 1.324 1
1 488 . 19 1 1 A 47 47 VAL C C 47 175.126 175.353 -0.227 1
1 489 . 19 1 1 A 48 48 THR N N 48 124.473 124.209 0.264 1
1 490 . 19 1 1 A 48 48 THR H H 48 9.432 9.131 0.301 1
1 491 . 19 1 1 A 48 48 THR CA C 48 61.766 61.807 -0.041 1
1 492 . 19 1 1 A 48 48 THR HA H 48 5.164 5.078 0.086 1
1 493 . 19 1 1 A 48 48 THR CB C 48 69.384 69.606 -0.222 1
1 499 . 19 1 1 A 48 48 THR C C 48 174.573 174.681 -0.108 1
1 500 . 19 1 1 A 49 49 SER N N 49 125.657 123.419 2.238 1
1 501 . 19 1 1 A 49 49 SER H H 49 9.043 8.984 0.059 1
1 502 . 19 1 1 A 49 49 SER CA C 49 56.638 56.906 -0.268 1
1 503 . 19 1 1 A 49 49 SER HA H 49 4.225 4.671 -0.446 1
1 504 . 19 1 1 A 49 49 SER CB C 49 62.948 63.124 -0.176 1
1 506 . 19 1 1 A 49 49 SER C C 49 174.034 174.872 -0.838 1
1 508 . 19 1 1 A 50 50 PRO CA C 50 65.784 64.102 1.682 1
1 509 . 19 1 1 A 50 50 PRO HA H 50 4.260 4.500 -0.240 1
1 510 . 19 1 1 A 50 50 PRO CB C 50 31.493 31.557 -0.064 1
1 516 . 19 1 1 A 50 50 PRO C C 50 177.687 176.792 0.895 1
1 520 . 19 1 1 A 51 51 SER N N 51 110.322 110.904 -0.582 1
1 521 . 19 1 1 A 51 51 SER H H 51 8.349 7.467 0.882 1
1 522 . 19 1 1 A 51 51 SER CA C 51 59.076 58.427 0.649 1
1 523 . 19 1 1 A 51 51 SER HA H 51 4.332 4.500 -0.168 1
1 524 . 19 1 1 A 51 51 SER CB C 51 62.825 65.343 -2.518 1
1 526 . 19 1 1 A 51 51 SER C C 51 175.363 175.039 0.324 1
1 528 . 19 1 1 A 52 52 GLY N N 52 111.132 110.163 0.969 1
1 529 . 19 1 1 A 52 52 GLY H H 52 8.289 7.602 0.687 1
1 530 . 19 1 1 A 52 52 GLY CA C 52 44.831 45.032 -0.201 1
1 531 . 19 1 1 A 52 52 GLY HA3 H 52 4.302 4.060 0.242 1
1 532 . 19 1 1 A 52 52 GLY C C 52 174.002 173.996 0.006 1
1 533 . 19 1 1 A 52 52 GLY HA2 H 52 3.421 4.059 -0.638 1
1 534 . 19 1 1 A 53 53 ARG N N 53 121.515 119.334 2.181 1
1 535 . 19 1 1 A 53 53 ARG H H 53 7.322 7.606 -0.284 1
1 536 . 19 1 1 A 53 53 ARG CA C 53 56.749 54.196 2.553 1
1 537 . 19 1 1 A 53 53 ARG HA H 53 4.222 4.708 -0.486 1
1 538 . 19 1 1 A 53 53 ARG CB C 53 30.430 32.377 -1.947 1
1 544 . 19 1 1 A 53 53 ARG C C 53 176.023 175.423 0.600 1
1 548 . 19 1 1 A 54 54 VAL N N 54 128.383 121.116 7.267 1
1 549 . 19 1 1 A 54 54 VAL H H 54 8.780 8.576 0.204 1
1 550 . 19 1 1 A 54 54 VAL CA C 54 61.533 61.081 0.452 1
1 551 . 19 1 1 A 54 54 VAL HA H 54 5.243 5.000 0.243 1
1 552 . 19 1 1 A 54 54 VAL CB C 54 33.205 34.545 -1.340 1
1 562 . 19 1 1 A 54 54 VAL C C 54 176.783 174.818 1.965 1
1 563 . 19 1 1 A 55 55 THR N N 55 121.757 122.725 -0.968 1
1 564 . 19 1 1 A 55 55 THR H H 55 9.188 9.069 0.119 1
1 565 . 19 1 1 A 55 55 THR CA C 55 60.216 60.459 -0.243 1
1 566 . 19 1 1 A 55 55 THR HA H 55 4.751 5.001 -0.250 1
1 567 . 19 1 1 A 55 55 THR CB C 55 71.896 73.058 -1.162 1
1 573 . 19 1 1 A 55 55 THR C C 55 173.454 172.531 0.923 1
1 574 . 19 1 1 A 56 56 GLU N N 56 125.373 123.181 2.192 1
1 575 . 19 1 1 A 56 56 GLU H H 56 8.927 8.839 0.088 1
1 576 . 19 1 1 A 56 56 GLU CA C 56 57.019 54.250 2.769 1
1 577 . 19 1 1 A 56 56 GLU HA H 56 4.365 4.454 -0.089 1
1 578 . 19 1 1 A 56 56 GLU CB C 56 30.230 33.034 -2.804 1
1 582 . 19 1 1 A 56 56 GLU C C 56 175.556 174.795 0.761 1
1 585 . 19 1 1 A 57 57 ALA N N 57 128.204 128.082 0.122 1
1 586 . 19 1 1 A 57 57 ALA H H 57 8.201 8.972 -0.771 1
1 587 . 19 1 1 A 57 57 ALA CA C 57 50.068 49.880 0.188 1
1 588 . 19 1 1 A 57 57 ALA HA H 57 4.827 5.165 -0.338 1
1 589 . 19 1 1 A 57 57 ALA CB C 57 21.531 22.854 -1.323 1
1 593 . 19 1 1 A 57 57 ALA C C 57 175.178 175.069 0.109 1
1 594 . 19 1 1 A 58 58 GLU N N 58 120.950 120.464 0.486 1
1 595 . 19 1 1 A 58 58 GLU H H 58 8.202 8.660 -0.458 1
1 596 . 19 1 1 A 58 58 GLU CA C 58 55.505 55.504 0.001 1
1 597 . 19 1 1 A 58 58 GLU HA H 58 4.509 4.816 -0.307 1
1 598 . 19 1 1 A 58 58 GLU CB C 58 32.301 31.279 1.022 1
1 602 . 19 1 1 A 58 58 GLU C C 58 175.025 175.025 0.000 1
1 605 . 19 1 1 A 59 59 ILE N N 59 122.574 125.775 -3.201 1
1 606 . 19 1 1 A 59 59 ILE H H 59 8.578 8.851 -0.273 1
1 607 . 19 1 1 A 59 59 ILE CA C 59 60.355 60.235 0.120 1
1 608 . 19 1 1 A 59 59 ILE HA H 59 4.954 4.707 0.247 1
1 609 . 19 1 1 A 59 59 ILE CB C 59 38.374 39.461 -1.087 1
1 621 . 19 1 1 A 59 59 ILE C C 59 175.709 174.991 0.718 1
1 623 . 19 1 1 A 60 60 VAL N N 60 129.074 128.592 0.482 1
1 624 . 19 1 1 A 60 60 VAL H H 60 9.543 9.283 0.260 1
1 625 . 19 1 1 A 60 60 VAL CA C 60 58.472 59.495 -1.023 1
1 626 . 19 1 1 A 60 60 VAL HA H 60 4.737 4.498 0.239 1
1 627 . 19 1 1 A 60 60 VAL CB C 60 34.522 32.017 2.505 1
1 637 . 19 1 1 A 60 60 VAL C C 60 174.024 175.106 -1.082 1
1 638 . 19 1 1 A 61 61 PRO CA C 61 63.313 62.370 0.943 1
1 639 . 19 1 1 A 61 61 PRO HA H 61 4.611 4.605 0.006 1
1 640 . 19 1 1 A 61 61 PRO CB C 61 32.270 31.761 0.509 1
1 646 . 19 1 1 A 61 61 PRO C C 61 177.388 176.563 0.825 1
1 650 . 19 1 1 A 62 62 MET N N 62 122.153 121.817 0.336 1
1 651 . 19 1 1 A 62 62 MET H H 62 7.843 8.320 -0.477 1
1 652 . 19 1 1 A 62 62 MET CA C 62 53.470 54.745 -1.275 1
1 653 . 19 1 1 A 62 62 MET HA H 62 4.765 4.652 0.113 1
1 654 . 19 1 1 A 62 62 MET CB C 62 33.144 32.839 0.305 1
1 662 . 19 1 1 A 62 62 MET C C 62 175.742 175.606 0.136 1
1 665 . 19 1 1 A 63 63 GLY N N 63 109.196 107.291 1.905 1
1 666 . 19 1 1 A 63 63 GLY H H 63 7.757 7.744 0.013 1
1 667 . 19 1 1 A 63 63 GLY CA C 63 44.092 44.225 -0.133 1
1 668 . 19 1 1 A 63 63 GLY HA3 H 63 4.193 3.973 0.220 1
1 669 . 19 1 1 A 63 63 GLY C C 63 173.451 172.973 0.478 1
1 670 . 19 1 1 A 63 63 GLY HA2 H 63 3.757 3.971 -0.214 1
1 671 . 19 1 1 A 64 64 LYS CA C 64 58.104 55.272 2.832 1
1 672 . 19 1 1 A 64 64 LYS HA H 64 3.994 4.319 -0.325 1
1 673 . 19 1 1 A 64 64 LYS CB C 64 31.766 33.723 -1.957 1
1 681 . 19 1 1 A 64 64 LYS C C 64 177.657 176.898 0.759 1
1 686 . 19 1 1 A 65 65 ASN N N 65 117.648 124.105 -6.457 1
1 687 . 19 1 1 A 65 65 ASN H H 65 8.860 9.137 -0.277 1
1 688 . 19 1 1 A 65 65 ASN CA C 65 54.222 54.210 0.012 1
1 689 . 19 1 1 A 65 65 ASN HA H 65 4.587 4.750 -0.163 1
1 690 . 19 1 1 A 65 65 ASN CB C 65 38.313 37.739 0.574 1
1 695 . 19 1 1 A 65 65 ASN C C 65 173.302 173.823 -0.521 1
1 697 . 19 1 1 A 66 66 SER N N 66 112.701 113.989 -1.288 1
1 698 . 19 1 1 A 66 66 SER H H 66 7.367 7.335 0.032 1
1 699 . 19 1 1 A 66 66 SER CA C 66 57.766 57.423 0.343 1
1 700 . 19 1 1 A 66 66 SER HA H 66 5.112 5.172 -0.060 1
1 701 . 19 1 1 A 66 66 SER CB C 66 65.000 65.834 -0.834 1
1 703 . 19 1 1 A 66 66 SER C C 66 172.793 172.781 0.012 1
1 705 . 19 1 1 A 67 67 HIS N N 67 124.096 120.312 3.784 1
1 706 . 19 1 1 A 67 67 HIS H H 67 8.735 8.778 -0.043 1
1 707 . 19 1 1 A 67 67 HIS CA C 67 55.123 54.605 0.518 1
1 708 . 19 1 1 A 67 67 HIS HA H 67 4.975 4.996 -0.021 1
1 709 . 19 1 1 A 67 67 HIS CB C 67 34.914 34.028 0.886 1
1 715 . 19 1 1 A 67 67 HIS C C 67 173.884 173.851 0.033 1
1 717 . 19 1 1 A 68 68 CYS N N 68 122.598 121.406 1.192 1
1 718 . 19 1 1 A 68 68 CYS H H 68 9.333 8.778 0.555 1
1 719 . 19 1 1 A 68 68 CYS CA C 68 56.907 57.430 -0.523 1
1 720 . 19 1 1 A 68 68 CYS HA H 68 5.311 5.158 0.153 1
1 721 . 19 1 1 A 68 68 CYS CB C 68 29.314 30.621 -1.307 1
1 723 . 19 1 1 A 68 68 CYS C C 68 173.554 172.958 0.596 1
1 725 . 19 1 1 A 69 69 VAL N N 69 128.613 127.661 0.952 1
1 726 . 19 1 1 A 69 69 VAL H H 69 9.074 9.322 -0.248 1
1 727 . 19 1 1 A 69 69 VAL CA C 69 61.632 61.720 -0.088 1
1 728 . 19 1 1 A 69 69 VAL HA H 69 4.725 4.992 -0.267 1
1 729 . 19 1 1 A 69 69 VAL CB C 69 32.387 32.524 -0.137 1
1 739 . 19 1 1 A 69 69 VAL C C 69 174.230 175.319 -1.089 1
1 740 . 19 1 1 A 70 70 ARG N N 70 128.053 126.375 1.678 1
1 741 . 19 1 1 A 70 70 ARG H H 70 9.052 8.641 0.411 1
1 742 . 19 1 1 A 70 70 ARG CA C 70 54.797 55.586 -0.789 1
1 743 . 19 1 1 A 70 70 ARG HA H 70 5.761 4.776 0.985 1
1 744 . 19 1 1 A 70 70 ARG CB C 70 34.395 31.012 3.383 1
1 751 . 19 1 1 A 70 70 ARG C C 70 175.918 175.651 0.267 1
1 755 . 19 1 1 A 71 71 PHE N N 71 122.942 117.215 5.727 1
1 756 . 19 1 1 A 71 71 PHE H H 71 8.702 7.851 0.851 1
1 757 . 19 1 1 A 71 71 PHE CA C 71 55.748 56.163 -0.415 1
1 758 . 19 1 1 A 71 71 PHE HA H 71 4.936 5.104 -0.168 1
1 759 . 19 1 1 A 71 71 PHE CB C 71 41.245 40.947 0.298 1
1 771 . 19 1 1 A 71 71 PHE C C 71 171.709 172.165 -0.456 1
1 773 . 19 1 1 A 72 72 VAL N N 72 122.214 120.302 1.912 1
1 774 . 19 1 1 A 72 72 VAL H H 72 8.512 8.879 -0.367 1
1 775 . 19 1 1 A 72 72 VAL CA C 72 58.398 59.313 -0.915 1
1 776 . 19 1 1 A 72 72 VAL HA H 72 4.752 4.568 0.184 1
1 777 . 19 1 1 A 72 72 VAL CB C 72 32.747 32.094 0.653 1
1 787 . 19 1 1 A 72 72 VAL C C 72 174.416 174.903 -0.487 1
1 788 . 19 1 1 A 73 73 PRO CA C 73 62.606 62.636 -0.030 1
1 789 . 19 1 1 A 73 73 PRO HA H 73 4.646 5.112 -0.466 1
1 790 . 19 1 1 A 73 73 PRO CB C 73 33.679 29.738 3.941 1
1 796 . 19 1 1 A 73 73 PRO C C 73 176.757 175.667 1.090 1
1 800 . 19 1 1 A 74 74 GLN N N 74 119.992 118.255 1.737 1
1 801 . 19 1 1 A 74 74 GLN H H 74 9.869 8.331 1.538 1
1 802 . 19 1 1 A 74 74 GLN CA C 74 55.156 54.399 0.757 1
1 803 . 19 1 1 A 74 74 GLN HA H 74 4.602 5.369 -0.767 1
1 804 . 19 1 1 A 74 74 GLN CB C 74 31.405 30.268 1.137 1
1 811 . 19 1 1 A 74 74 GLN C C 74 174.987 174.504 0.483 1
1 814 . 19 1 1 A 75 75 GLU N N 75 119.264 123.306 -4.042 1
1 815 . 19 1 1 A 75 75 GLU H H 75 8.009 8.972 -0.963 1
1 816 . 19 1 1 A 75 75 GLU CA C 75 54.138 54.296 -0.158 1
1 817 . 19 1 1 A 75 75 GLU HA H 75 4.657 4.804 -0.147 1
1 818 . 19 1 1 A 75 75 GLU CB C 75 34.046 33.078 0.968 1
1 822 . 19 1 1 A 75 75 GLU C C 75 173.922 176.035 -2.113 1
1 825 . 19 1 1 A 76 76 MET N N 76 117.176 119.234 -2.058 1
1 826 . 19 1 1 A 76 76 MET H H 76 8.450 8.623 -0.173 1
1 827 . 19 1 1 A 76 76 MET CA C 76 55.468 55.709 -0.241 1
1 828 . 19 1 1 A 76 76 MET HA H 76 4.275 4.823 -0.548 1
1 829 . 19 1 1 A 76 76 MET CB C 76 34.487 33.417 1.070 1
1 837 . 19 1 1 A 76 76 MET C C 76 175.964 175.817 0.147 1
1 840 . 19 1 1 A 77 77 GLY N N 77 106.906 105.874 1.032 1
1 841 . 19 1 1 A 77 77 GLY H H 77 9.058 7.649 1.409 1
1 842 . 19 1 1 A 77 77 GLY CA C 77 43.832 46.038 -2.206 1
1 843 . 19 1 1 A 77 77 GLY HA3 H 77 3.944 4.053 -0.109 1
1 844 . 19 1 1 A 77 77 GLY C C 77 176.459 172.082 4.377 1
1 845 . 19 1 1 A 77 77 GLY HA2 H 77 4.787 4.022 0.765 1
1 846 . 19 1 1 A 78 78 VAL N N 78 125.184 122.379 2.805 1
1 847 . 19 1 1 A 78 78 VAL H H 78 9.293 8.199 1.094 1
1 848 . 19 1 1 A 78 78 VAL CA C 78 64.999 61.865 3.134 1
1 849 . 19 1 1 A 78 78 VAL HA H 78 4.178 4.436 -0.258 1
1 850 . 19 1 1 A 78 78 VAL CB C 78 31.558 32.770 -1.212 1
1 860 . 19 1 1 A 78 78 VAL C C 78 175.942 174.306 1.636 1
1 861 . 19 1 1 A 79 79 HIS N N 79 128.345 126.547 1.798 1
1 862 . 19 1 1 A 79 79 HIS H H 79 9.553 8.837 0.716 1
1 863 . 19 1 1 A 79 79 HIS CA C 79 55.063 54.627 0.436 1
1 864 . 19 1 1 A 79 79 HIS HA H 79 4.798 5.215 -0.417 1
1 865 . 19 1 1 A 79 79 HIS CB C 79 31.489 31.885 -0.396 1
1 871 . 19 1 1 A 79 79 HIS C C 79 174.069 174.514 -0.445 1
1 873 . 19 1 1 A 80 80 THR N N 80 114.672 116.667 -1.995 1
1 874 . 19 1 1 A 80 80 THR H H 80 8.452 8.835 -0.383 1
1 875 . 19 1 1 A 80 80 THR CA C 80 61.075 61.619 -0.544 1
1 876 . 19 1 1 A 80 80 THR HA H 80 5.213 5.142 0.071 1
1 877 . 19 1 1 A 80 80 THR CB C 80 70.795 71.498 -0.703 1
1 883 . 19 1 1 A 80 80 THR C C 80 173.863 173.216 0.647 1
1 884 . 19 1 1 A 81 81 VAL N N 81 127.546 129.004 -1.458 1
1 885 . 19 1 1 A 81 81 VAL H H 81 9.701 9.370 0.331 1
1 886 . 19 1 1 A 81 81 VAL CA C 81 60.799 62.299 -1.500 1
1 887 . 19 1 1 A 81 81 VAL HA H 81 4.782 4.687 0.095 1
1 888 . 19 1 1 A 81 81 VAL CB C 81 33.635 32.411 1.224 1
1 898 . 19 1 1 A 81 81 VAL C C 81 174.707 175.308 -0.601 1
1 899 . 19 1 1 A 82 82 SER N N 82 123.308 124.898 -1.590 1
1 900 . 19 1 1 A 82 82 SER H H 82 9.104 9.160 -0.056 1
1 901 . 19 1 1 A 82 82 SER CA C 82 56.981 58.253 -1.272 1
1 902 . 19 1 1 A 82 82 SER HA H 82 5.108 4.995 0.113 1
1 903 . 19 1 1 A 82 82 SER CB C 82 64.728 63.015 1.713 1
1 905 . 19 1 1 A 82 82 SER C C 82 173.688 173.868 -0.180 1
1 907 . 19 1 1 A 83 83 VAL N N 83 129.049 127.324 1.725 1
1 908 . 19 1 1 A 83 83 VAL H H 83 9.925 8.919 1.006 1
1 909 . 19 1 1 A 83 83 VAL CA C 83 61.669 61.562 0.107 1
1 910 . 19 1 1 A 83 83 VAL HA H 83 4.897 5.084 -0.187 1
1 911 . 19 1 1 A 83 83 VAL CB C 83 33.590 32.987 0.603 1
1 921 . 19 1 1 A 83 83 VAL C C 83 174.094 175.557 -1.463 1
1 922 . 19 1 1 A 84 84 LYS N N 84 123.792 126.777 -2.985 1
1 923 . 19 1 1 A 84 84 LYS H H 84 8.768 8.609 0.159 1
1 924 . 19 1 1 A 84 84 LYS CA C 84 54.435 54.173 0.262 1
1 925 . 19 1 1 A 84 84 LYS HA H 84 5.153 5.222 -0.069 1
1 926 . 19 1 1 A 84 84 LYS CB C 84 37.608 35.710 1.898 1
1 934 . 19 1 1 A 84 84 LYS C C 84 174.908 174.531 0.377 1
1 939 . 19 1 1 A 85 85 TYR N N 85 120.439 123.417 -2.978 1
1 940 . 19 1 1 A 85 85 TYR H H 85 8.926 9.368 -0.442 1
1 941 . 19 1 1 A 85 85 TYR CA C 85 56.005 57.412 -1.407 1
1 942 . 19 1 1 A 85 85 TYR HA H 85 4.938 4.861 0.077 1
1 943 . 19 1 1 A 85 85 TYR CB C 85 41.386 41.172 0.214 1
1 953 . 19 1 1 A 85 85 TYR C C 85 175.255 175.045 0.210 1
1 955 . 19 1 1 A 86 86 ARG N N 86 127.150 128.187 -1.037 1
1 956 . 19 1 1 A 86 86 ARG H H 86 9.115 9.484 -0.369 1
1 957 . 19 1 1 A 86 86 ARG CA C 86 57.122 56.865 0.257 1
1 958 . 19 1 1 A 86 86 ARG HA H 86 3.659 3.787 -0.128 1
1 959 . 19 1 1 A 86 86 ARG CB C 86 27.563 27.375 0.188 1
1 965 . 19 1 1 A 86 86 ARG C C 86 176.482 176.307 0.175 1
1 969 . 19 1 1 A 87 87 GLY N N 87 102.394 104.483 -2.089 1
1 970 . 19 1 1 A 87 87 GLY H H 87 8.564 8.560 0.004 1
1 971 . 19 1 1 A 87 87 GLY CA C 87 45.388 46.271 -0.883 1
1 972 . 19 1 1 A 87 87 GLY HA3 H 87 4.099 3.875 0.224 1
1 973 . 19 1 1 A 87 87 GLY C C 87 173.631 173.331 0.300 1
1 974 . 19 1 1 A 87 87 GLY HA2 H 87 3.460 3.865 -0.405 1
1 975 . 19 1 1 A 88 88 GLN N N 88 119.060 114.313 4.747 1
1 976 . 19 1 1 A 88 88 GLN H H 88 7.665 7.399 0.266 1
1 977 . 19 1 1 A 88 88 GLN CA C 88 53.265 54.485 -1.220 1
1 978 . 19 1 1 A 88 88 GLN HA H 88 4.749 4.668 0.081 1
1 979 . 19 1 1 A 88 88 GLN CB C 88 31.383 31.732 -0.349 1
1 986 . 19 1 1 A 88 88 GLN C C 88 175.689 174.230 1.459 1
1 989 . 19 1 1 A 89 89 HIS N N 89 123.344 122.459 0.885 1
1 990 . 19 1 1 A 89 89 HIS H H 89 8.789 8.627 0.162 1
1 991 . 19 1 1 A 89 89 HIS CA C 89 59.011 57.452 1.559 1
1 992 . 19 1 1 A 89 89 HIS HA H 89 4.546 4.558 -0.012 1
1 993 . 19 1 1 A 89 89 HIS CB C 89 32.365 30.087 2.278 1
1 999 . 19 1 1 A 89 89 HIS C C 89 178.152 175.947 2.205 1
1 1001 . 19 1 1 A 90 90 VAL N N 90 117.749 120.942 -3.193 1
1 1002 . 19 1 1 A 90 90 VAL H H 90 8.436 8.110 0.326 1
1 1003 . 19 1 1 A 90 90 VAL CA C 90 60.473 62.023 -1.550 1
1 1004 . 19 1 1 A 90 90 VAL HA H 90 4.535 4.122 0.413 1
1 1005 . 19 1 1 A 90 90 VAL CB C 90 32.489 33.531 -1.042 1
1 1015 . 19 1 1 A 90 90 VAL C C 90 176.018 175.440 0.578 1
1 1016 . 19 1 1 A 91 91 THR N N 91 118.099 117.347 0.752 1
1 1017 . 19 1 1 A 91 91 THR H H 91 8.491 8.431 0.060 1
1 1018 . 19 1 1 A 91 91 THR CA C 91 65.519 65.242 0.277 1
1 1019 . 19 1 1 A 91 91 THR HA H 91 3.924 3.836 0.088 1
1 1020 . 19 1 1 A 91 91 THR CB C 91 68.972 68.388 0.584 1
1 1026 . 19 1 1 A 91 91 THR C C 91 174.771 176.056 -1.285 1
1 1027 . 19 1 1 A 92 92 GLY N N 92 116.032 114.869 1.163 1
1 1028 . 19 1 1 A 92 92 GLY H H 92 8.563 8.837 -0.274 1
1 1029 . 19 1 1 A 92 92 GLY CA C 92 44.842 46.424 -1.582 1
1 1030 . 19 1 1 A 92 92 GLY HA3 H 92 4.213 3.929 0.284 1
1 1031 . 19 1 1 A 92 92 GLY C C 92 172.199 173.130 -0.931 1
1 1032 . 19 1 1 A 92 92 GLY HA2 H 92 3.361 3.818 -0.457 1
1 1033 . 19 1 1 A 93 93 SER N N 93 113.106 114.716 -1.610 1
1 1034 . 19 1 1 A 93 93 SER H H 93 7.806 7.189 0.617 1
1 1035 . 19 1 1 A 93 93 SER CA C 93 54.600 54.447 0.153 1
1 1036 . 19 1 1 A 93 93 SER HA H 93 4.159 4.121 0.038 1
1 1037 . 19 1 1 A 93 93 SER CB C 93 62.787 65.615 -2.828 1
1 1039 . 19 1 1 A 93 93 SER C C 93 174.123 171.948 2.175 1
1 1041 . 19 1 1 A 94 94 PRO CA C 94 62.619 62.178 0.441 1
1 1042 . 19 1 1 A 94 94 PRO HA H 94 5.537 4.418 1.119 1
1 1043 . 19 1 1 A 94 94 PRO CB C 94 34.521 32.788 1.733 1
1 1049 . 19 1 1 A 94 94 PRO C C 94 176.046 175.012 1.034 1
1 1053 . 19 1 1 A 95 95 PHE N N 95 120.547 119.527 1.020 1
1 1054 . 19 1 1 A 95 95 PHE H H 95 9.127 8.673 0.454 1
1 1055 . 19 1 1 A 95 95 PHE CA C 95 56.700 56.876 -0.176 1
1 1056 . 19 1 1 A 95 95 PHE HA H 95 4.844 5.045 -0.201 1
1 1057 . 19 1 1 A 95 95 PHE CB C 95 41.285 40.019 1.266 1
1 1069 . 19 1 1 A 95 95 PHE C C 95 175.219 175.008 0.211 1
1 1071 . 19 1 1 A 96 96 GLN N N 96 120.382 125.647 -5.265 1
1 1072 . 19 1 1 A 96 96 GLN H H 96 8.896 9.025 -0.129 1
1 1073 . 19 1 1 A 96 96 GLN CA C 96 55.028 55.571 -0.543 1
1 1074 . 19 1 1 A 96 96 GLN HA H 96 5.440 4.955 0.485 1
1 1075 . 19 1 1 A 96 96 GLN CB C 96 31.867 30.067 1.800 1
1 1082 . 19 1 1 A 96 96 GLN C C 96 175.480 175.423 0.057 1
1 1085 . 19 1 1 A 97 97 PHE N N 97 121.331 121.550 -0.219 1
1 1086 . 19 1 1 A 97 97 PHE H H 97 8.822 8.771 0.051 1
1 1087 . 19 1 1 A 97 97 PHE CA C 97 56.931 56.015 0.916 1
1 1088 . 19 1 1 A 97 97 PHE HA H 97 4.960 5.309 -0.349 1
1 1089 . 19 1 1 A 97 97 PHE CB C 97 42.133 42.152 -0.019 1
1 1101 . 19 1 1 A 97 97 PHE C C 97 173.780 172.443 1.337 1
1 1103 . 19 1 1 A 98 98 THR N N 98 121.160 116.435 4.725 1
1 1104 . 19 1 1 A 98 98 THR H H 98 8.907 8.786 0.121 1
1 1105 . 19 1 1 A 98 98 THR CA C 98 63.381 61.633 1.748 1
1 1106 . 19 1 1 A 98 98 THR HA H 98 4.487 4.714 -0.227 1
1 1107 . 19 1 1 A 98 98 THR CB C 98 69.599 69.781 -0.182 1
1 1113 . 19 1 1 A 98 98 THR C C 98 173.058 174.229 -1.171 1
1 1114 . 19 1 1 A 99 99 VAL N N 99 128.111 127.470 0.641 1
1 1115 . 19 1 1 A 99 99 VAL H H 99 8.240 8.605 -0.365 1
1 1116 . 19 1 1 A 99 99 VAL CA C 99 61.670 60.968 0.702 1
1 1117 . 19 1 1 A 99 99 VAL HA H 99 4.271 4.488 -0.217 1
1 1118 . 19 1 1 A 99 99 VAL CB C 99 32.962 32.567 0.395 1
1 1128 . 19 1 1 A 99 99 VAL C C 99 176.689 175.511 1.178 1
1 1129 . 19 1 1 A 100 100 GLY N N 100 118.412 112.337 6.075 1
1 1130 . 19 1 1 A 100 100 GLY H H 100 8.946 8.262 0.684 1
1 1131 . 19 1 1 A 100 100 GLY CA C 100 44.504 44.405 0.099 1
1 1132 . 19 1 1 A 100 100 GLY HA3 H 100 4.506 4.348 0.158 1
1 1133 . 19 1 1 A 100 100 GLY C C 100 170.474 171.820 -1.346 1
1 1134 . 19 1 1 A 100 100 GLY HA2 H 100 4.136 4.347 -0.211 1
1 1135 . 19 1 1 A 101 101 PRO CA C 101 62.588 62.533 0.055 1
1 1136 . 19 1 1 A 101 101 PRO HA H 101 4.525 4.601 -0.076 1
1 1137 . 19 1 1 A 101 101 PRO CB C 101 32.641 32.910 -0.269 1
1 1143 . 19 1 1 A 101 101 PRO C C 101 176.696 175.960 0.736 1
1 1147 . 19 1 1 A 102 102 LEU N N 102 121.326 122.819 -1.493 1
1 1148 . 19 1 1 A 102 102 LEU H H 102 8.374 8.407 -0.033 1
1 1149 . 19 1 1 A 102 102 LEU CA C 102 55.855 54.714 1.141 1
1 1150 . 19 1 1 A 102 102 LEU HA H 102 4.221 4.523 -0.302 1
1 1151 . 19 1 1 A 102 102 LEU CB C 102 42.652 43.024 -0.372 1
1 1163 . 19 1 1 A 102 102 LEU C C 102 178.005 176.763 1.242 1
1 1165 . 19 1 1 A 103 103 GLY N N 103 110.870 114.362 -3.492 1
1 1166 . 19 1 1 A 103 103 GLY H H 103 8.481 8.394 0.087 1
1 1167 . 19 1 1 A 103 103 GLY CA C 103 45.208 45.072 0.136 1
1 1168 . 19 1 1 A 103 103 GLY HA3 H 103 3.927 3.948 -0.021 1
1 1169 . 19 1 1 A 103 103 GLY C C 103 174.126 173.053 1.073 1
1 1170 . 19 1 1 A 103 103 GLY HA2 H 103 3.991 3.947 0.044 1
1 1171 . 19 1 1 A 104 104 GLU N N 104 120.771 122.787 -2.016 1
1 1172 . 19 1 1 A 104 104 GLU H H 104 8.308 8.444 -0.136 1
1 1173 . 19 1 1 A 104 104 GLU CA C 104 56.713 54.599 2.114 1
1 1174 . 19 1 1 A 104 104 GLU HA H 104 4.318 5.043 -0.725 1
1 1175 . 19 1 1 A 104 104 GLU CB C 104 30.470 32.783 -2.313 1
1 1179 . 19 1 1 A 104 104 GLU C C 104 177.052 176.078 0.974 1
1 1182 . 19 1 1 A 105 105 GLY N N 105 110.589 108.776 1.813 1
1 1183 . 19 1 1 A 105 105 GLY H H 105 8.546 8.481 0.065 1
1 1184 . 19 1 1 A 105 105 GLY CA C 105 45.256 44.601 0.655 1
1 1185 . 19 1 1 A 105 105 GLY HA3 H 105 3.925 3.944 -0.019 1
1 1186 . 19 1 1 A 105 105 GLY C C 105 173.795 175.074 -1.279 1
1 1187 . 19 1 1 A 105 105 GLY HA2 H 105 3.992 3.944 0.048 1
1 1 . 20 1 1 A 7 7 GLY CA C 7 45.415 44.880 0.535 1
1 2 . 20 1 1 A 7 7 GLY HA3 H 7 3.972 4.183 -0.211 1
1 3 . 20 1 1 A 7 7 GLY C C 7 174.102 172.444 1.658 1
1 4 . 20 1 1 A 7 7 GLY HA2 H 7 3.972 4.182 -0.210 1
1 5 . 20 1 1 A 8 8 ARG N N 8 120.724 121.247 -0.523 1
1 6 . 20 1 1 A 8 8 ARG H H 8 8.124 8.823 -0.699 1
1 7 . 20 1 1 A 8 8 ARG CA C 8 56.123 54.825 1.298 1
1 8 . 20 1 1 A 8 8 ARG HA H 8 4.363 5.050 -0.687 1
1 9 . 20 1 1 A 8 8 ARG CB C 8 30.881 33.292 -2.411 1
1 15 . 20 1 1 A 8 8 ARG C C 8 176.487 173.752 2.735 1
1 19 . 20 1 1 A 9 9 VAL N N 9 121.839 117.950 3.889 1
1 20 . 20 1 1 A 9 9 VAL H H 9 8.204 8.840 -0.636 1
1 21 . 20 1 1 A 9 9 VAL CA C 9 62.438 60.612 1.826 1
1 22 . 20 1 1 A 9 9 VAL HA H 9 4.081 5.018 -0.937 1
1 23 . 20 1 1 A 9 9 VAL CB C 9 32.773 33.489 -0.716 1
1 33 . 20 1 1 A 9 9 VAL C C 9 176.204 174.592 1.612 1
1 34 . 20 1 1 A 10 10 LYS N N 10 125.552 126.661 -1.109 1
1 35 . 20 1 1 A 10 10 LYS H H 10 8.437 8.581 -0.144 1
1 36 . 20 1 1 A 10 10 LYS CA C 10 56.575 55.219 1.356 1
1 37 . 20 1 1 A 10 10 LYS HA H 10 4.280 4.607 -0.327 1
1 38 . 20 1 1 A 10 10 LYS CB C 10 33.046 35.907 -2.861 1
1 46 . 20 1 1 A 10 10 LYS C C 10 176.486 175.041 1.445 1
1 51 . 20 1 1 A 11 11 GLU N N 11 122.741 126.749 -4.008 1
1 52 . 20 1 1 A 11 11 GLU H H 11 8.490 8.656 -0.166 1
1 53 . 20 1 1 A 11 11 GLU CA C 11 56.717 57.385 -0.668 1
1 54 . 20 1 1 A 11 11 GLU HA H 11 4.303 4.386 -0.083 1
1 55 . 20 1 1 A 11 11 GLU CB C 11 30.422 30.558 -0.136 1
1 59 . 20 1 1 A 11 11 GLU C C 11 176.428 175.864 0.564 1
1 62 . 20 1 1 A 12 12 SER N N 12 117.227 114.650 2.577 1
1 63 . 20 1 1 A 12 12 SER H H 12 8.434 8.603 -0.169 1
1 64 . 20 1 1 A 12 12 SER CA C 12 58.340 57.564 0.776 1
1 65 . 20 1 1 A 12 12 SER HA H 12 4.477 4.804 -0.327 1
1 66 . 20 1 1 A 12 12 SER CB C 12 63.670 67.180 -3.510 1
1 68 . 20 1 1 A 12 12 SER C C 12 174.574 173.865 0.709 1
1 70 . 20 1 1 A 13 13 ILE N N 13 122.704 121.264 1.440 1
1 71 . 20 1 1 A 13 13 ILE H H 13 8.189 8.454 -0.265 1
1 72 . 20 1 1 A 13 13 ILE CA C 13 61.364 61.245 0.119 1
1 73 . 20 1 1 A 13 13 ILE HA H 13 4.270 4.017 0.253 1
1 74 . 20 1 1 A 13 13 ILE CB C 13 38.870 38.909 -0.039 1
1 86 . 20 1 1 A 13 13 ILE C C 13 176.445 175.198 1.247 1
1 88 . 20 1 1 A 14 14 THR N N 14 118.671 116.871 1.800 1
1 89 . 20 1 1 A 14 14 THR H H 14 8.265 8.366 -0.101 1
1 90 . 20 1 1 A 14 14 THR CA C 14 62.080 60.747 1.333 1
1 91 . 20 1 1 A 14 14 THR HA H 14 4.338 4.979 -0.641 1
1 92 . 20 1 1 A 14 14 THR CB C 14 69.779 72.086 -2.307 1
1 98 . 20 1 1 A 14 14 THR C C 14 174.465 172.975 1.490 1
1 99 . 20 1 1 A 15 15 ARG N N 15 124.132 125.516 -1.384 1
1 100 . 20 1 1 A 15 15 ARG H H 15 8.428 8.534 -0.106 1
1 101 . 20 1 1 A 15 15 ARG CA C 15 56.221 55.867 0.354 1
1 102 . 20 1 1 A 15 15 ARG HA H 15 4.447 4.626 -0.179 1
1 103 . 20 1 1 A 15 15 ARG CB C 15 30.949 31.238 -0.289 1
1 109 . 20 1 1 A 15 15 ARG C C 15 176.374 175.160 1.214 1
1 113 . 20 1 1 A 16 16 THR N N 16 115.339 114.997 0.342 1
1 114 . 20 1 1 A 16 16 THR H H 16 8.232 8.693 -0.461 1
1 115 . 20 1 1 A 16 16 THR CA C 16 61.828 60.805 1.023 1
1 116 . 20 1 1 A 16 16 THR HA H 16 4.389 4.809 -0.420 1
1 117 . 20 1 1 A 16 16 THR CB C 16 69.896 70.605 -0.709 1
1 123 . 20 1 1 A 16 16 THR C C 16 174.518 171.856 2.662 1
1 124 . 20 1 1 A 17 17 SER N N 17 118.278 121.022 -2.744 1
1 125 . 20 1 1 A 17 17 SER H H 17 8.331 8.575 -0.244 1
1 126 . 20 1 1 A 17 17 SER CA C 17 58.326 56.761 1.565 1
1 127 . 20 1 1 A 17 17 SER HA H 17 4.500 5.087 -0.587 1
1 128 . 20 1 1 A 17 17 SER CB C 17 63.918 66.205 -2.287 1
1 130 . 20 1 1 A 17 17 SER C C 17 174.172 173.518 0.654 1
1 132 . 20 1 1 A 18 18 ARG N N 18 122.935 127.182 -4.247 1
1 133 . 20 1 1 A 18 18 ARG H H 18 8.376 8.663 -0.287 1
1 134 . 20 1 1 A 18 18 ARG CA C 18 55.772 56.932 -1.160 1
1 135 . 20 1 1 A 18 18 ARG HA H 18 4.386 4.492 -0.106 1
1 136 . 20 1 1 A 18 18 ARG CB C 18 31.073 31.251 -0.178 1
1 142 . 20 1 1 A 18 18 ARG C C 18 175.493 175.817 -0.324 1
1 146 . 20 1 1 A 19 19 ALA N N 19 126.804 122.607 4.197 1
1 147 . 20 1 1 A 19 19 ALA H H 19 8.357 8.634 -0.277 1
1 148 . 20 1 1 A 19 19 ALA CA C 19 50.553 49.493 1.060 1
1 149 . 20 1 1 A 19 19 ALA HA H 19 4.585 4.878 -0.293 1
1 150 . 20 1 1 A 19 19 ALA CB C 19 18.208 21.096 -2.888 1
1 154 . 20 1 1 A 19 19 ALA C C 19 175.408 175.387 0.021 1
1 155 . 20 1 1 A 20 20 PRO CA C 20 63.352 62.561 0.791 1
1 156 . 20 1 1 A 20 20 PRO HA H 20 4.455 4.782 -0.327 1
1 157 . 20 1 1 A 20 20 PRO CB C 20 32.196 30.611 1.585 1
1 163 . 20 1 1 A 20 20 PRO C C 20 176.846 175.069 1.777 1
1 167 . 20 1 1 A 21 21 SER N N 21 116.414 118.737 -2.323 1
1 168 . 20 1 1 A 21 21 SER H H 21 8.449 8.286 0.163 1
1 169 . 20 1 1 A 21 21 SER CA C 21 58.507 57.200 1.307 1
1 170 . 20 1 1 A 21 21 SER HA H 21 4.475 4.835 -0.360 1
1 171 . 20 1 1 A 21 21 SER CB C 21 63.851 65.723 -1.872 1
1 173 . 20 1 1 A 21 21 SER C C 21 174.344 172.586 1.758 1
1 175 . 20 1 1 A 22 22 VAL N N 22 120.580 119.839 0.741 1
1 176 . 20 1 1 A 22 22 VAL H H 22 8.110 8.541 -0.431 1
1 177 . 20 1 1 A 22 22 VAL CA C 22 61.788 59.825 1.963 1
1 178 . 20 1 1 A 22 22 VAL HA H 22 4.293 4.836 -0.543 1
1 179 . 20 1 1 A 22 22 VAL CB C 22 33.445 33.517 -0.072 1
1 189 . 20 1 1 A 22 22 VAL C C 22 175.160 174.653 0.507 1
1 190 . 20 1 1 A 23 23 ALA N N 23 127.788 123.909 3.879 1
1 191 . 20 1 1 A 23 23 ALA H H 23 8.428 8.680 -0.252 1
1 192 . 20 1 1 A 23 23 ALA CA C 23 51.790 50.402 1.388 1
1 193 . 20 1 1 A 23 23 ALA HA H 23 4.594 5.108 -0.514 1
1 194 . 20 1 1 A 23 23 ALA CB C 23 21.050 22.731 -1.681 1
1 198 . 20 1 1 A 23 23 ALA C C 23 176.198 175.771 0.427 1
1 199 . 20 1 1 A 24 24 THR N N 24 115.139 116.900 -1.761 1
1 200 . 20 1 1 A 24 24 THR H H 24 8.338 8.655 -0.317 1
1 201 . 20 1 1 A 24 24 THR CA C 24 60.519 61.474 -0.955 1
1 202 . 20 1 1 A 24 24 THR HA H 24 4.674 5.039 -0.365 1
1 203 . 20 1 1 A 24 24 THR CB C 24 72.048 71.074 0.974 1
1 209 . 20 1 1 A 24 24 THR C C 24 173.979 173.007 0.972 1
1 210 . 20 1 1 A 25 25 VAL N N 25 122.772 124.436 -1.664 1
1 211 . 20 1 1 A 25 25 VAL H H 25 8.002 8.728 -0.726 1
1 212 . 20 1 1 A 25 25 VAL CA C 25 64.582 59.979 4.603 1
1 213 . 20 1 1 A 25 25 VAL HA H 25 3.280 4.621 -1.341 1
1 214 . 20 1 1 A 25 25 VAL CB C 25 32.102 33.870 -1.768 1
1 224 . 20 1 1 A 25 25 VAL C C 25 176.709 176.166 0.543 1
1 225 . 20 1 1 A 26 26 GLY N N 26 112.345 116.534 -4.189 1
1 226 . 20 1 1 A 26 26 GLY H H 26 8.344 8.862 -0.518 1
1 227 . 20 1 1 A 26 26 GLY CA C 26 45.534 46.512 -0.978 1
1 228 . 20 1 1 A 26 26 GLY HA3 H 26 4.166 3.966 0.200 1
1 229 . 20 1 1 A 26 26 GLY C C 26 173.701 173.371 0.330 1
1 230 . 20 1 1 A 26 26 GLY HA2 H 26 3.519 3.951 -0.432 1
1 231 . 20 1 1 A 27 27 SER N N 27 116.474 113.618 2.856 1
1 232 . 20 1 1 A 27 27 SER H H 27 7.738 7.681 0.057 1
1 233 . 20 1 1 A 27 27 SER CA C 27 57.264 57.252 0.012 1
1 234 . 20 1 1 A 27 27 SER HA H 27 4.692 4.756 -0.064 1
1 235 . 20 1 1 A 27 27 SER CB C 27 65.270 64.798 0.472 1
1 237 . 20 1 1 A 27 27 SER C C 27 172.491 172.953 -0.462 1
1 239 . 20 1 1 A 28 28 ILE N N 28 122.052 124.836 -2.784 1
1 240 . 20 1 1 A 28 28 ILE H H 28 8.350 8.649 -0.299 1
1 241 . 20 1 1 A 28 28 ILE CA C 28 62.995 61.542 1.453 1
1 242 . 20 1 1 A 28 28 ILE HA H 28 3.693 4.177 -0.484 1
1 243 . 20 1 1 A 28 28 ILE CB C 28 38.221 36.912 1.309 1
1 255 . 20 1 1 A 28 28 ILE C C 28 175.624 175.758 -0.134 1
1 257 . 20 1 1 A 29 29 CYS N N 29 129.493 127.220 2.273 1
1 258 . 20 1 1 A 29 29 CYS H H 29 8.730 8.304 0.426 1
1 259 . 20 1 1 A 29 29 CYS CA C 29 58.201 57.302 0.899 1
1 260 . 20 1 1 A 29 29 CYS HA H 29 4.451 5.060 -0.609 1
1 261 . 20 1 1 A 29 29 CYS CB C 29 28.560 29.061 -0.501 1
1 263 . 20 1 1 A 29 29 CYS C C 29 171.207 173.782 -2.575 1
1 265 . 20 1 1 A 30 30 ASP N N 30 123.789 124.255 -0.466 1
1 266 . 20 1 1 A 30 30 ASP H H 30 8.000 8.582 -0.582 1
1 267 . 20 1 1 A 30 30 ASP CA C 30 52.692 53.487 -0.795 1
1 268 . 20 1 1 A 30 30 ASP HA H 30 5.315 4.896 0.419 1
1 269 . 20 1 1 A 30 30 ASP CB C 30 43.397 42.134 1.263 1
1 271 . 20 1 1 A 30 30 ASP C C 30 175.569 174.610 0.959 1
1 273 . 20 1 1 A 31 31 LEU N N 31 125.116 126.883 -1.767 1
1 274 . 20 1 1 A 31 31 LEU H H 31 9.147 9.169 -0.022 1
1 275 . 20 1 1 A 31 31 LEU CA C 31 53.606 53.441 0.165 1
1 276 . 20 1 1 A 31 31 LEU HA H 31 4.515 4.906 -0.391 1
1 277 . 20 1 1 A 31 31 LEU CB C 31 43.262 44.108 -0.846 1
1 289 . 20 1 1 A 31 31 LEU C C 31 174.935 175.014 -0.079 1
1 291 . 20 1 1 A 32 32 ASN N N 32 124.687 126.963 -2.276 1
1 292 . 20 1 1 A 32 32 ASN H H 32 8.690 8.972 -0.282 1
1 293 . 20 1 1 A 32 32 ASN CA C 32 53.696 52.629 1.067 1
1 294 . 20 1 1 A 32 32 ASN HA H 32 5.077 5.028 0.049 1
1 295 . 20 1 1 A 32 32 ASN CB C 32 39.842 39.015 0.827 1
1 300 . 20 1 1 A 32 32 ASN C C 32 174.322 173.982 0.340 1
1 302 . 20 1 1 A 33 33 LEU N N 33 123.838 128.065 -4.227 1
1 303 . 20 1 1 A 33 33 LEU H H 33 8.912 8.471 0.441 1
1 304 . 20 1 1 A 33 33 LEU CA C 33 53.820 53.298 0.522 1
1 305 . 20 1 1 A 33 33 LEU HA H 33 4.638 4.952 -0.314 1
1 306 . 20 1 1 A 33 33 LEU CB C 33 45.587 44.438 1.149 1
1 318 . 20 1 1 A 33 33 LEU C C 33 175.719 175.794 -0.075 1
1 320 . 20 1 1 A 34 34 LYS N N 34 124.925 125.195 -0.270 1
1 321 . 20 1 1 A 34 34 LYS H H 34 8.718 8.736 -0.018 1
1 322 . 20 1 1 A 34 34 LYS CA C 34 55.079 55.992 -0.913 1
1 323 . 20 1 1 A 34 34 LYS HA H 34 5.036 4.524 0.512 1
1 324 . 20 1 1 A 34 34 LYS CB C 34 32.121 32.009 0.112 1
1 332 . 20 1 1 A 34 34 LYS C C 34 176.081 174.874 1.207 1
1 337 . 20 1 1 A 35 35 ILE N N 35 123.769 126.999 -3.230 1
1 338 . 20 1 1 A 35 35 ILE H H 35 7.935 8.105 -0.170 1
1 339 . 20 1 1 A 35 35 ILE CA C 35 58.161 57.407 0.754 1
1 340 . 20 1 1 A 35 35 ILE HA H 35 4.612 4.597 0.015 1
1 341 . 20 1 1 A 35 35 ILE CB C 35 40.616 40.493 0.123 1
1 353 . 20 1 1 A 35 35 ILE C C 35 173.405 174.404 -0.999 1
1 355 . 20 1 1 A 36 36 PRO CA C 36 63.143 62.302 0.841 1
1 356 . 20 1 1 A 36 36 PRO HA H 36 4.435 4.599 -0.164 1
1 357 . 20 1 1 A 36 36 PRO CB C 36 32.806 33.314 -0.508 1
1 363 . 20 1 1 A 36 36 PRO C C 36 176.844 177.014 -0.170 1
1 367 . 20 1 1 A 37 37 GLU N N 37 114.188 119.838 -5.650 1
1 368 . 20 1 1 A 37 37 GLU H H 37 8.358 8.789 -0.431 1
1 369 . 20 1 1 A 37 37 GLU CA C 37 59.038 59.672 -0.634 1
1 370 . 20 1 1 A 37 37 GLU HA H 37 3.916 3.998 -0.082 1
1 371 . 20 1 1 A 37 37 GLU CB C 37 28.206 29.368 -1.162 1
1 375 . 20 1 1 A 37 37 GLU C C 37 175.996 177.689 -1.693 1
1 378 . 20 1 1 A 38 38 ILE N N 38 118.733 122.734 -4.001 1
1 379 . 20 1 1 A 38 38 ILE H H 38 7.679 7.454 0.225 1
1 380 . 20 1 1 A 38 38 ILE CA C 38 60.711 62.278 -1.567 1
1 381 . 20 1 1 A 38 38 ILE HA H 38 4.029 3.977 0.052 1
1 382 . 20 1 1 A 38 38 ILE CB C 38 40.278 37.569 2.709 1
1 394 . 20 1 1 A 38 38 ILE C C 38 175.255 176.131 -0.876 1
1 396 . 20 1 1 A 39 39 ASN H H 39 8.593 8.758 -0.165 1
1 397 . 20 1 1 A 39 39 ASN CA C 39 52.929 53.900 -0.971 1
1 398 . 20 1 1 A 39 39 ASN HA H 39 4.921 4.882 0.039 1
1 399 . 20 1 1 A 39 39 ASN CB C 39 39.419 39.910 -0.491 1
1 404 . 20 1 1 A 39 39 ASN C C 39 176.891 176.495 0.396 1
1 406 . 20 1 1 A 40 40 SER N N 40 120.676 118.313 2.363 1
1 407 . 20 1 1 A 40 40 SER H H 40 8.995 9.085 -0.090 1
1 408 . 20 1 1 A 40 40 SER CA C 40 62.318 61.627 0.691 1
1 409 . 20 1 1 A 40 40 SER HA H 40 4.058 4.111 -0.053 1
1 410 . 20 1 1 A 40 40 SER CB C 40 63.297 62.446 0.851 1
1 412 . 20 1 1 A 40 40 SER C C 40 176.866 176.385 0.481 1
1 414 . 20 1 1 A 41 41 SER N N 41 112.249 116.179 -3.930 1
1 415 . 20 1 1 A 41 41 SER H H 41 8.253 8.109 0.144 1
1 416 . 20 1 1 A 41 41 SER CA C 41 60.133 61.771 -1.638 1
1 417 . 20 1 1 A 41 41 SER HA H 41 4.348 4.182 0.166 1
1 418 . 20 1 1 A 41 41 SER CB C 41 62.986 63.033 -0.047 1
1 420 . 20 1 1 A 41 41 SER C C 41 174.885 176.074 -1.189 1
1 422 . 20 1 1 A 42 42 ASP N N 42 119.471 117.344 2.127 1
1 423 . 20 1 1 A 42 42 ASP H H 42 7.835 8.293 -0.458 1
1 424 . 20 1 1 A 42 42 ASP CA C 42 54.713 56.672 -1.959 1
1 425 . 20 1 1 A 42 42 ASP HA H 42 4.933 4.498 0.435 1
1 426 . 20 1 1 A 42 42 ASP CB C 42 42.479 40.161 2.318 1
1 428 . 20 1 1 A 42 42 ASP C C 42 175.586 176.586 -1.000 1
1 430 . 20 1 1 A 43 43 MET N N 43 119.155 118.860 0.295 1
1 431 . 20 1 1 A 43 43 MET H H 43 7.549 7.844 -0.295 1
1 432 . 20 1 1 A 43 43 MET CA C 43 54.927 55.245 -0.318 1
1 433 . 20 1 1 A 43 43 MET HA H 43 5.359 4.855 0.504 1
1 434 . 20 1 1 A 43 43 MET CB C 43 37.158 33.899 3.259 1
1 442 . 20 1 1 A 43 43 MET C C 43 174.894 175.142 -0.248 1
1 445 . 20 1 1 A 44 44 SER N N 44 114.070 116.334 -2.264 1
1 446 . 20 1 1 A 44 44 SER H H 44 8.739 8.293 0.446 1
1 447 . 20 1 1 A 44 44 SER CA C 44 56.937 57.891 -0.954 1
1 448 . 20 1 1 A 44 44 SER HA H 44 4.700 5.193 -0.493 1
1 449 . 20 1 1 A 44 44 SER CB C 44 66.247 65.813 0.434 1
1 451 . 20 1 1 A 44 44 SER C C 44 172.764 173.126 -0.362 1
1 453 . 20 1 1 A 45 45 ALA N N 45 126.192 129.132 -2.940 1
1 454 . 20 1 1 A 45 45 ALA H H 45 9.123 9.030 0.093 1
1 455 . 20 1 1 A 45 45 ALA CA C 45 50.378 50.183 0.195 1
1 456 . 20 1 1 A 45 45 ALA HA H 45 5.741 5.500 0.241 1
1 457 . 20 1 1 A 45 45 ALA CB C 45 23.330 22.085 1.245 1
1 461 . 20 1 1 A 45 45 ALA C C 45 175.089 176.140 -1.051 1
1 462 . 20 1 1 A 46 46 HIS N N 46 119.075 118.252 0.823 1
1 463 . 20 1 1 A 46 46 HIS H H 46 8.701 8.620 0.081 1
1 464 . 20 1 1 A 46 46 HIS CA C 46 55.999 54.873 1.126 1
1 465 . 20 1 1 A 46 46 HIS HA H 46 5.157 5.044 0.113 1
1 466 . 20 1 1 A 46 46 HIS CB C 46 34.239 33.630 0.609 1
1 472 . 20 1 1 A 46 46 HIS C C 46 174.155 173.992 0.163 1
1 474 . 20 1 1 A 47 47 VAL N N 47 125.059 124.289 0.770 1
1 475 . 20 1 1 A 47 47 VAL H H 47 9.488 8.373 1.115 1
1 476 . 20 1 1 A 47 47 VAL CA C 47 60.604 62.570 -1.966 1
1 477 . 20 1 1 A 47 47 VAL HA H 47 4.730 4.320 0.410 1
1 478 . 20 1 1 A 47 47 VAL CB C 47 33.769 31.989 1.780 1
1 488 . 20 1 1 A 47 47 VAL C C 47 175.126 175.919 -0.793 1
1 489 . 20 1 1 A 48 48 THR N N 48 124.473 123.298 1.175 1
1 490 . 20 1 1 A 48 48 THR H H 48 9.432 8.785 0.647 1
1 491 . 20 1 1 A 48 48 THR CA C 48 61.766 62.389 -0.623 1
1 492 . 20 1 1 A 48 48 THR HA H 48 5.164 4.466 0.698 1
1 493 . 20 1 1 A 48 48 THR CB C 48 69.384 69.522 -0.138 1
1 499 . 20 1 1 A 48 48 THR C C 48 174.573 174.325 0.248 1
1 500 . 20 1 1 A 49 49 SER N N 49 125.657 120.452 5.205 1
1 501 . 20 1 1 A 49 49 SER H H 49 9.043 9.092 -0.049 1
1 502 . 20 1 1 A 49 49 SER CA C 49 56.638 56.182 0.456 1
1 503 . 20 1 1 A 49 49 SER HA H 49 4.225 4.694 -0.469 1
1 504 . 20 1 1 A 49 49 SER CB C 49 62.948 64.161 -1.213 1
1 506 . 20 1 1 A 49 49 SER C C 49 174.034 174.077 -0.043 1
1 508 . 20 1 1 A 50 50 PRO CA C 50 65.784 64.054 1.730 1
1 509 . 20 1 1 A 50 50 PRO HA H 50 4.260 4.447 -0.187 1
1 510 . 20 1 1 A 50 50 PRO CB C 50 31.493 31.631 -0.138 1
1 516 . 20 1 1 A 50 50 PRO C C 50 177.687 176.923 0.764 1
1 520 . 20 1 1 A 51 51 SER N N 51 110.322 111.366 -1.044 1
1 521 . 20 1 1 A 51 51 SER H H 51 8.349 7.707 0.642 1
1 522 . 20 1 1 A 51 51 SER CA C 51 59.076 58.435 0.641 1
1 523 . 20 1 1 A 51 51 SER HA H 51 4.332 4.582 -0.250 1
1 524 . 20 1 1 A 51 51 SER CB C 51 62.825 65.557 -2.732 1
1 526 . 20 1 1 A 51 51 SER C C 51 175.363 175.151 0.212 1
1 528 . 20 1 1 A 52 52 GLY N N 52 111.132 109.461 1.671 1
1 529 . 20 1 1 A 52 52 GLY H H 52 8.289 7.772 0.517 1
1 530 . 20 1 1 A 52 52 GLY CA C 52 44.831 45.267 -0.436 1
1 531 . 20 1 1 A 52 52 GLY HA3 H 52 4.302 4.007 0.295 1
1 532 . 20 1 1 A 52 52 GLY C C 52 174.002 174.796 -0.794 1
1 533 . 20 1 1 A 52 52 GLY HA2 H 52 3.421 4.002 -0.581 1
1 534 . 20 1 1 A 53 53 ARG N N 53 121.515 120.786 0.729 1
1 535 . 20 1 1 A 53 53 ARG H H 53 7.322 7.282 0.040 1
1 536 . 20 1 1 A 53 53 ARG CA C 53 56.749 56.874 -0.125 1
1 537 . 20 1 1 A 53 53 ARG HA H 53 4.222 4.306 -0.084 1
1 538 . 20 1 1 A 53 53 ARG CB C 53 30.430 31.605 -1.175 1
1 544 . 20 1 1 A 53 53 ARG C C 53 176.023 174.974 1.049 1
1 548 . 20 1 1 A 54 54 VAL N N 54 128.383 122.380 6.003 1
1 549 . 20 1 1 A 54 54 VAL H H 54 8.780 8.660 0.120 1
1 550 . 20 1 1 A 54 54 VAL CA C 54 61.533 61.025 0.508 1
1 551 . 20 1 1 A 54 54 VAL HA H 54 5.243 4.807 0.436 1
1 552 . 20 1 1 A 54 54 VAL CB C 54 33.205 35.596 -2.391 1
1 562 . 20 1 1 A 54 54 VAL C C 54 176.783 174.679 2.104 1
1 563 . 20 1 1 A 55 55 THR N N 55 121.757 123.395 -1.638 1
1 564 . 20 1 1 A 55 55 THR H H 55 9.188 9.034 0.154 1
1 565 . 20 1 1 A 55 55 THR CA C 55 60.216 60.514 -0.298 1
1 566 . 20 1 1 A 55 55 THR HA H 55 4.751 5.024 -0.273 1
1 567 . 20 1 1 A 55 55 THR CB C 55 71.896 72.138 -0.242 1
1 573 . 20 1 1 A 55 55 THR C C 55 173.454 172.851 0.603 1
1 574 . 20 1 1 A 56 56 GLU N N 56 125.373 124.050 1.323 1
1 575 . 20 1 1 A 56 56 GLU H H 56 8.927 8.901 0.026 1
1 576 . 20 1 1 A 56 56 GLU CA C 56 57.019 55.139 1.880 1
1 577 . 20 1 1 A 56 56 GLU HA H 56 4.365 4.874 -0.509 1
1 578 . 20 1 1 A 56 56 GLU CB C 56 30.230 31.664 -1.434 1
1 582 . 20 1 1 A 56 56 GLU C C 56 175.556 175.126 0.430 1
1 585 . 20 1 1 A 57 57 ALA N N 57 128.204 127.276 0.928 1
1 586 . 20 1 1 A 57 57 ALA H H 57 8.201 8.345 -0.144 1
1 587 . 20 1 1 A 57 57 ALA CA C 57 50.068 49.998 0.070 1
1 588 . 20 1 1 A 57 57 ALA HA H 57 4.827 5.305 -0.478 1
1 589 . 20 1 1 A 57 57 ALA CB C 57 21.531 23.367 -1.836 1
1 593 . 20 1 1 A 57 57 ALA C C 57 175.178 174.966 0.212 1
1 594 . 20 1 1 A 58 58 GLU N N 58 120.950 120.911 0.039 1
1 595 . 20 1 1 A 58 58 GLU H H 58 8.202 8.823 -0.621 1
1 596 . 20 1 1 A 58 58 GLU CA C 58 55.505 55.337 0.168 1
1 597 . 20 1 1 A 58 58 GLU HA H 58 4.509 4.989 -0.480 1
1 598 . 20 1 1 A 58 58 GLU CB C 58 32.301 32.003 0.298 1
1 602 . 20 1 1 A 58 58 GLU C C 58 175.025 175.205 -0.180 1
1 605 . 20 1 1 A 59 59 ILE N N 59 122.574 126.236 -3.662 1
1 606 . 20 1 1 A 59 59 ILE H H 59 8.578 8.994 -0.416 1
1 607 . 20 1 1 A 59 59 ILE CA C 59 60.355 59.757 0.598 1
1 608 . 20 1 1 A 59 59 ILE HA H 59 4.954 4.593 0.361 1
1 609 . 20 1 1 A 59 59 ILE CB C 59 38.374 39.428 -1.054 1
1 621 . 20 1 1 A 59 59 ILE C C 59 175.709 175.100 0.609 1
1 623 . 20 1 1 A 60 60 VAL N N 60 129.074 128.540 0.534 1
1 624 . 20 1 1 A 60 60 VAL H H 60 9.543 9.050 0.493 1
1 625 . 20 1 1 A 60 60 VAL CA C 60 58.472 59.491 -1.019 1
1 626 . 20 1 1 A 60 60 VAL HA H 60 4.737 4.522 0.215 1
1 627 . 20 1 1 A 60 60 VAL CB C 60 34.522 31.980 2.542 1
1 637 . 20 1 1 A 60 60 VAL C C 60 174.024 175.062 -1.038 1
1 638 . 20 1 1 A 61 61 PRO CA C 61 63.313 62.602 0.711 1
1 639 . 20 1 1 A 61 61 PRO HA H 61 4.611 4.667 -0.056 1
1 640 . 20 1 1 A 61 61 PRO CB C 61 32.270 31.812 0.458 1
1 646 . 20 1 1 A 61 61 PRO C C 61 177.388 176.761 0.627 1
1 650 . 20 1 1 A 62 62 MET N N 62 122.153 120.426 1.727 1
1 651 . 20 1 1 A 62 62 MET H H 62 7.843 8.704 -0.861 1
1 652 . 20 1 1 A 62 62 MET CA C 62 53.470 57.455 -3.985 1
1 653 . 20 1 1 A 62 62 MET HA H 62 4.765 4.352 0.413 1
1 654 . 20 1 1 A 62 62 MET CB C 62 33.144 33.981 -0.837 1
1 662 . 20 1 1 A 62 62 MET C C 62 175.742 176.100 -0.358 1
1 665 . 20 1 1 A 63 63 GLY N N 63 109.196 104.221 4.975 1
1 666 . 20 1 1 A 63 63 GLY H H 63 7.757 6.799 0.958 1
1 667 . 20 1 1 A 63 63 GLY CA C 63 44.092 45.577 -1.485 1
1 668 . 20 1 1 A 63 63 GLY HA3 H 63 4.193 4.048 0.145 1
1 669 . 20 1 1 A 63 63 GLY C C 63 173.451 172.660 0.791 1
1 670 . 20 1 1 A 63 63 GLY HA2 H 63 3.757 4.037 -0.280 1
1 671 . 20 1 1 A 64 64 LYS CA C 64 58.104 57.309 0.795 1
1 672 . 20 1 1 A 64 64 LYS HA H 64 3.994 4.077 -0.083 1
1 673 . 20 1 1 A 64 64 LYS CB C 64 31.766 32.142 -0.376 1
1 681 . 20 1 1 A 64 64 LYS C C 64 177.657 177.324 0.333 1
1 686 . 20 1 1 A 65 65 ASN N N 65 117.648 123.118 -5.470 1
1 687 . 20 1 1 A 65 65 ASN H H 65 8.860 8.339 0.521 1
1 688 . 20 1 1 A 65 65 ASN CA C 65 54.222 53.908 0.314 1
1 689 . 20 1 1 A 65 65 ASN HA H 65 4.587 4.382 0.205 1
1 690 . 20 1 1 A 65 65 ASN CB C 65 38.313 36.312 2.001 1
1 695 . 20 1 1 A 65 65 ASN C C 65 173.302 174.174 -0.872 1
1 697 . 20 1 1 A 66 66 SER N N 66 112.701 114.737 -2.036 1
1 698 . 20 1 1 A 66 66 SER H H 66 7.367 7.246 0.121 1
1 699 . 20 1 1 A 66 66 SER CA C 66 57.766 57.249 0.517 1
1 700 . 20 1 1 A 66 66 SER HA H 66 5.112 5.116 -0.004 1
1 701 . 20 1 1 A 66 66 SER CB C 66 65.000 65.699 -0.699 1
1 703 . 20 1 1 A 66 66 SER C C 66 172.793 172.478 0.315 1
1 705 . 20 1 1 A 67 67 HIS N N 67 124.096 120.793 3.303 1
1 706 . 20 1 1 A 67 67 HIS H H 67 8.735 8.920 -0.185 1
1 707 . 20 1 1 A 67 67 HIS CA C 67 55.123 54.764 0.359 1
1 708 . 20 1 1 A 67 67 HIS HA H 67 4.975 5.092 -0.117 1
1 709 . 20 1 1 A 67 67 HIS CB C 67 34.914 33.808 1.106 1
1 715 . 20 1 1 A 67 67 HIS C C 67 173.884 173.616 0.268 1
1 717 . 20 1 1 A 68 68 CYS N N 68 122.598 122.493 0.105 1
1 718 . 20 1 1 A 68 68 CYS H H 68 9.333 8.949 0.384 1
1 719 . 20 1 1 A 68 68 CYS CA C 68 56.907 57.030 -0.123 1
1 720 . 20 1 1 A 68 68 CYS HA H 68 5.311 4.961 0.350 1
1 721 . 20 1 1 A 68 68 CYS CB C 68 29.314 30.392 -1.078 1
1 723 . 20 1 1 A 68 68 CYS C C 68 173.554 172.995 0.559 1
1 725 . 20 1 1 A 69 69 VAL N N 69 128.613 127.106 1.507 1
1 726 . 20 1 1 A 69 69 VAL H H 69 9.074 8.933 0.141 1
1 727 . 20 1 1 A 69 69 VAL CA C 69 61.632 61.599 0.033 1
1 728 . 20 1 1 A 69 69 VAL HA H 69 4.725 4.823 -0.098 1
1 729 . 20 1 1 A 69 69 VAL CB C 69 32.387 32.897 -0.510 1
1 739 . 20 1 1 A 69 69 VAL C C 69 174.230 175.332 -1.102 1
1 740 . 20 1 1 A 70 70 ARG N N 70 128.053 126.201 1.852 1
1 741 . 20 1 1 A 70 70 ARG H H 70 9.052 8.431 0.621 1
1 742 . 20 1 1 A 70 70 ARG CA C 70 54.797 54.684 0.113 1
1 743 . 20 1 1 A 70 70 ARG HA H 70 5.761 5.129 0.632 1
1 744 . 20 1 1 A 70 70 ARG CB C 70 34.395 32.729 1.666 1
1 751 . 20 1 1 A 70 70 ARG C C 70 175.918 175.030 0.888 1
1 755 . 20 1 1 A 71 71 PHE N N 71 122.942 119.599 3.343 1
1 756 . 20 1 1 A 71 71 PHE H H 71 8.702 7.927 0.775 1
1 757 . 20 1 1 A 71 71 PHE CA C 71 55.748 56.144 -0.396 1
1 758 . 20 1 1 A 71 71 PHE HA H 71 4.936 5.078 -0.142 1
1 759 . 20 1 1 A 71 71 PHE CB C 71 41.245 40.822 0.423 1
1 771 . 20 1 1 A 71 71 PHE C C 71 171.709 172.126 -0.417 1
1 773 . 20 1 1 A 72 72 VAL N N 72 122.214 120.705 1.509 1
1 774 . 20 1 1 A 72 72 VAL H H 72 8.512 8.905 -0.393 1
1 775 . 20 1 1 A 72 72 VAL CA C 72 58.398 59.462 -1.064 1
1 776 . 20 1 1 A 72 72 VAL HA H 72 4.752 4.772 -0.020 1
1 777 . 20 1 1 A 72 72 VAL CB C 72 32.747 32.211 0.536 1
1 787 . 20 1 1 A 72 72 VAL C C 72 174.416 175.164 -0.748 1
1 788 . 20 1 1 A 73 73 PRO CA C 73 62.606 62.689 -0.083 1
1 789 . 20 1 1 A 73 73 PRO HA H 73 4.646 5.032 -0.386 1
1 790 . 20 1 1 A 73 73 PRO CB C 73 33.679 29.817 3.862 1
1 796 . 20 1 1 A 73 73 PRO C C 73 176.757 175.294 1.463 1
1 800 . 20 1 1 A 74 74 GLN N N 74 119.992 123.425 -3.433 1
1 801 . 20 1 1 A 74 74 GLN H H 74 9.869 8.544 1.325 1
1 802 . 20 1 1 A 74 74 GLN CA C 74 55.156 54.950 0.206 1
1 803 . 20 1 1 A 74 74 GLN HA H 74 4.602 5.113 -0.511 1
1 804 . 20 1 1 A 74 74 GLN CB C 74 31.405 31.495 -0.090 1
1 811 . 20 1 1 A 74 74 GLN C C 74 174.987 174.618 0.369 1
1 814 . 20 1 1 A 75 75 GLU N N 75 119.264 125.217 -5.953 1
1 815 . 20 1 1 A 75 75 GLU H H 75 8.009 9.010 -1.001 1
1 816 . 20 1 1 A 75 75 GLU CA C 75 54.138 54.258 -0.120 1
1 817 . 20 1 1 A 75 75 GLU HA H 75 4.657 4.792 -0.135 1
1 818 . 20 1 1 A 75 75 GLU CB C 75 34.046 33.078 0.968 1
1 822 . 20 1 1 A 75 75 GLU C C 75 173.922 176.034 -2.112 1
1 825 . 20 1 1 A 76 76 MET N N 76 117.176 119.336 -2.160 1
1 826 . 20 1 1 A 76 76 MET H H 76 8.450 8.626 -0.176 1
1 827 . 20 1 1 A 76 76 MET CA C 76 55.468 55.648 -0.180 1
1 828 . 20 1 1 A 76 76 MET HA H 76 4.275 4.854 -0.579 1
1 829 . 20 1 1 A 76 76 MET CB C 76 34.487 33.459 1.028 1
1 837 . 20 1 1 A 76 76 MET C C 76 175.964 175.938 0.026 1
1 840 . 20 1 1 A 77 77 GLY N N 77 106.906 106.006 0.900 1
1 841 . 20 1 1 A 77 77 GLY H H 77 9.058 7.684 1.374 1
1 842 . 20 1 1 A 77 77 GLY CA C 77 43.832 46.214 -2.382 1
1 843 . 20 1 1 A 77 77 GLY HA3 H 77 3.944 4.142 -0.198 1
1 844 . 20 1 1 A 77 77 GLY C C 77 176.459 172.240 4.219 1
1 845 . 20 1 1 A 77 77 GLY HA2 H 77 4.787 4.102 0.685 1
1 846 . 20 1 1 A 78 78 VAL N N 78 125.184 122.351 2.833 1
1 847 . 20 1 1 A 78 78 VAL H H 78 9.293 8.253 1.040 1
1 848 . 20 1 1 A 78 78 VAL CA C 78 64.999 61.961 3.038 1
1 849 . 20 1 1 A 78 78 VAL HA H 78 4.178 4.382 -0.204 1
1 850 . 20 1 1 A 78 78 VAL CB C 78 31.558 32.532 -0.974 1
1 860 . 20 1 1 A 78 78 VAL C C 78 175.942 174.571 1.371 1
1 861 . 20 1 1 A 79 79 HIS N N 79 128.345 126.819 1.526 1
1 862 . 20 1 1 A 79 79 HIS H H 79 9.553 8.862 0.691 1
1 863 . 20 1 1 A 79 79 HIS CA C 79 55.063 54.385 0.678 1
1 864 . 20 1 1 A 79 79 HIS HA H 79 4.798 5.090 -0.292 1
1 865 . 20 1 1 A 79 79 HIS CB C 79 31.489 31.425 0.064 1
1 871 . 20 1 1 A 79 79 HIS C C 79 174.069 174.127 -0.058 1
1 873 . 20 1 1 A 80 80 THR N N 80 114.672 116.443 -1.771 1
1 874 . 20 1 1 A 80 80 THR H H 80 8.452 8.075 0.377 1
1 875 . 20 1 1 A 80 80 THR CA C 80 61.075 61.469 -0.394 1
1 876 . 20 1 1 A 80 80 THR HA H 80 5.213 4.690 0.523 1
1 877 . 20 1 1 A 80 80 THR CB C 80 70.795 72.202 -1.407 1
1 883 . 20 1 1 A 80 80 THR C C 80 173.863 173.266 0.597 1
1 884 . 20 1 1 A 81 81 VAL N N 81 127.546 127.789 -0.243 1
1 885 . 20 1 1 A 81 81 VAL H H 81 9.701 8.978 0.723 1
1 886 . 20 1 1 A 81 81 VAL CA C 81 60.799 60.791 0.008 1
1 887 . 20 1 1 A 81 81 VAL HA H 81 4.782 4.568 0.214 1
1 888 . 20 1 1 A 81 81 VAL CB C 81 33.635 32.867 0.768 1
1 898 . 20 1 1 A 81 81 VAL C C 81 174.707 175.342 -0.635 1
1 899 . 20 1 1 A 82 82 SER N N 82 123.308 123.906 -0.598 1
1 900 . 20 1 1 A 82 82 SER H H 82 9.104 9.235 -0.131 1
1 901 . 20 1 1 A 82 82 SER CA C 82 56.981 58.487 -1.506 1
1 902 . 20 1 1 A 82 82 SER HA H 82 5.108 4.885 0.223 1
1 903 . 20 1 1 A 82 82 SER CB C 82 64.728 63.487 1.241 1
1 905 . 20 1 1 A 82 82 SER C C 82 173.688 174.051 -0.363 1
1 907 . 20 1 1 A 83 83 VAL N N 83 129.049 127.225 1.824 1
1 908 . 20 1 1 A 83 83 VAL H H 83 9.925 8.903 1.022 1
1 909 . 20 1 1 A 83 83 VAL CA C 83 61.669 61.475 0.194 1
1 910 . 20 1 1 A 83 83 VAL HA H 83 4.897 4.864 0.033 1
1 911 . 20 1 1 A 83 83 VAL CB C 83 33.590 33.557 0.033 1
1 921 . 20 1 1 A 83 83 VAL C C 83 174.094 175.265 -1.171 1
1 922 . 20 1 1 A 84 84 LYS N N 84 123.792 126.785 -2.993 1
1 923 . 20 1 1 A 84 84 LYS H H 84 8.768 8.538 0.230 1
1 924 . 20 1 1 A 84 84 LYS CA C 84 54.435 54.249 0.186 1
1 925 . 20 1 1 A 84 84 LYS HA H 84 5.153 4.938 0.215 1
1 926 . 20 1 1 A 84 84 LYS CB C 84 37.608 35.747 1.861 1
1 934 . 20 1 1 A 84 84 LYS C C 84 174.908 174.516 0.392 1
1 939 . 20 1 1 A 85 85 TYR N N 85 120.439 123.264 -2.825 1
1 940 . 20 1 1 A 85 85 TYR H H 85 8.926 9.306 -0.380 1
1 941 . 20 1 1 A 85 85 TYR CA C 85 56.005 57.518 -1.513 1
1 942 . 20 1 1 A 85 85 TYR HA H 85 4.938 4.852 0.086 1
1 943 . 20 1 1 A 85 85 TYR CB C 85 41.386 41.037 0.349 1
1 953 . 20 1 1 A 85 85 TYR C C 85 175.255 174.932 0.323 1
1 955 . 20 1 1 A 86 86 ARG N N 86 127.150 128.470 -1.320 1
1 956 . 20 1 1 A 86 86 ARG H H 86 9.115 9.222 -0.107 1
1 957 . 20 1 1 A 86 86 ARG CA C 86 57.122 56.977 0.145 1
1 958 . 20 1 1 A 86 86 ARG HA H 86 3.659 3.793 -0.134 1
1 959 . 20 1 1 A 86 86 ARG CB C 86 27.563 27.422 0.141 1
1 965 . 20 1 1 A 86 86 ARG C C 86 176.482 176.257 0.225 1
1 969 . 20 1 1 A 87 87 GLY N N 87 102.394 104.852 -2.458 1
1 970 . 20 1 1 A 87 87 GLY H H 87 8.564 8.454 0.110 1
1 971 . 20 1 1 A 87 87 GLY CA C 87 45.388 45.478 -0.090 1
1 972 . 20 1 1 A 87 87 GLY HA3 H 87 4.099 3.772 0.327 1
1 973 . 20 1 1 A 87 87 GLY C C 87 173.631 173.832 -0.201 1
1 974 . 20 1 1 A 87 87 GLY HA2 H 87 3.460 3.761 -0.301 1
1 975 . 20 1 1 A 88 88 GLN N N 88 119.060 119.461 -0.401 1
1 976 . 20 1 1 A 88 88 GLN H H 88 7.665 7.796 -0.131 1
1 977 . 20 1 1 A 88 88 GLN CA C 88 53.265 54.344 -1.079 1
1 978 . 20 1 1 A 88 88 GLN HA H 88 4.749 4.711 0.038 1
1 979 . 20 1 1 A 88 88 GLN CB C 88 31.383 30.978 0.405 1
1 986 . 20 1 1 A 88 88 GLN C C 88 175.689 174.625 1.064 1
1 989 . 20 1 1 A 89 89 HIS N N 89 123.344 123.902 -0.558 1
1 990 . 20 1 1 A 89 89 HIS H H 89 8.789 8.640 0.149 1
1 991 . 20 1 1 A 89 89 HIS CA C 89 59.011 57.590 1.421 1
1 992 . 20 1 1 A 89 89 HIS HA H 89 4.546 4.631 -0.085 1
1 993 . 20 1 1 A 89 89 HIS CB C 89 32.365 30.659 1.706 1
1 999 . 20 1 1 A 89 89 HIS C C 89 178.152 175.942 2.210 1
1 1001 . 20 1 1 A 90 90 VAL N N 90 117.749 120.416 -2.667 1
1 1002 . 20 1 1 A 90 90 VAL H H 90 8.436 8.419 0.017 1
1 1003 . 20 1 1 A 90 90 VAL CA C 90 60.473 61.730 -1.257 1
1 1004 . 20 1 1 A 90 90 VAL HA H 90 4.535 4.206 0.329 1
1 1005 . 20 1 1 A 90 90 VAL CB C 90 32.489 33.801 -1.312 1
1 1015 . 20 1 1 A 90 90 VAL C C 90 176.018 175.591 0.427 1
1 1016 . 20 1 1 A 91 91 THR N N 91 118.099 116.136 1.963 1
1 1017 . 20 1 1 A 91 91 THR H H 91 8.491 8.466 0.025 1
1 1018 . 20 1 1 A 91 91 THR CA C 91 65.519 65.187 0.332 1
1 1019 . 20 1 1 A 91 91 THR HA H 91 3.924 3.868 0.056 1
1 1020 . 20 1 1 A 91 91 THR CB C 91 68.972 68.436 0.536 1
1 1026 . 20 1 1 A 91 91 THR C C 91 174.771 176.153 -1.382 1
1 1027 . 20 1 1 A 92 92 GLY N N 92 116.032 114.694 1.338 1
1 1028 . 20 1 1 A 92 92 GLY H H 92 8.563 8.873 -0.310 1
1 1029 . 20 1 1 A 92 92 GLY CA C 92 44.842 46.712 -1.870 1
1 1030 . 20 1 1 A 92 92 GLY HA3 H 92 4.213 3.976 0.237 1
1 1031 . 20 1 1 A 92 92 GLY C C 92 172.199 173.458 -1.259 1
1 1032 . 20 1 1 A 92 92 GLY HA2 H 92 3.361 3.827 -0.466 1
1 1033 . 20 1 1 A 93 93 SER N N 93 113.106 115.377 -2.271 1
1 1034 . 20 1 1 A 93 93 SER H H 93 7.806 7.200 0.606 1
1 1035 . 20 1 1 A 93 93 SER CA C 93 54.600 54.408 0.192 1
1 1036 . 20 1 1 A 93 93 SER HA H 93 4.159 4.100 0.059 1
1 1037 . 20 1 1 A 93 93 SER CB C 93 62.787 65.007 -2.220 1
1 1039 . 20 1 1 A 93 93 SER C C 93 174.123 172.019 2.104 1
1 1041 . 20 1 1 A 94 94 PRO CA C 94 62.619 62.159 0.460 1
1 1042 . 20 1 1 A 94 94 PRO HA H 94 5.537 4.418 1.119 1
1 1043 . 20 1 1 A 94 94 PRO CB C 94 34.521 32.172 2.349 1
1 1049 . 20 1 1 A 94 94 PRO C C 94 176.046 175.249 0.797 1
1 1053 . 20 1 1 A 95 95 PHE N N 95 120.547 120.440 0.107 1
1 1054 . 20 1 1 A 95 95 PHE H H 95 9.127 8.331 0.796 1
1 1055 . 20 1 1 A 95 95 PHE CA C 95 56.700 57.093 -0.393 1
1 1056 . 20 1 1 A 95 95 PHE HA H 95 4.844 5.008 -0.164 1
1 1057 . 20 1 1 A 95 95 PHE CB C 95 41.285 39.895 1.390 1
1 1069 . 20 1 1 A 95 95 PHE C C 95 175.219 175.145 0.074 1
1 1071 . 20 1 1 A 96 96 GLN N N 96 120.382 125.462 -5.080 1
1 1072 . 20 1 1 A 96 96 GLN H H 96 8.896 8.970 -0.074 1
1 1073 . 20 1 1 A 96 96 GLN CA C 96 55.028 55.264 -0.236 1
1 1074 . 20 1 1 A 96 96 GLN HA H 96 5.440 4.663 0.777 1
1 1075 . 20 1 1 A 96 96 GLN CB C 96 31.867 29.874 1.993 1
1 1082 . 20 1 1 A 96 96 GLN C C 96 175.480 175.107 0.373 1
1 1085 . 20 1 1 A 97 97 PHE N N 97 121.331 121.248 0.083 1
1 1086 . 20 1 1 A 97 97 PHE H H 97 8.822 8.755 0.067 1
1 1087 . 20 1 1 A 97 97 PHE CA C 97 56.931 56.362 0.569 1
1 1088 . 20 1 1 A 97 97 PHE HA H 97 4.960 5.189 -0.229 1
1 1089 . 20 1 1 A 97 97 PHE CB C 97 42.133 41.836 0.297 1
1 1101 . 20 1 1 A 97 97 PHE C C 97 173.780 172.375 1.405 1
1 1103 . 20 1 1 A 98 98 THR N N 98 121.160 116.884 4.276 1
1 1104 . 20 1 1 A 98 98 THR H H 98 8.907 9.060 -0.153 1
1 1105 . 20 1 1 A 98 98 THR CA C 98 63.381 62.138 1.243 1
1 1106 . 20 1 1 A 98 98 THR HA H 98 4.487 4.839 -0.352 1
1 1107 . 20 1 1 A 98 98 THR CB C 98 69.599 70.284 -0.685 1
1 1113 . 20 1 1 A 98 98 THR C C 98 173.058 174.271 -1.213 1
1 1114 . 20 1 1 A 99 99 VAL N N 99 128.111 124.780 3.331 1
1 1115 . 20 1 1 A 99 99 VAL H H 99 8.240 8.791 -0.551 1
1 1116 . 20 1 1 A 99 99 VAL CA C 99 61.670 60.637 1.033 1
1 1117 . 20 1 1 A 99 99 VAL HA H 99 4.271 4.882 -0.611 1
1 1118 . 20 1 1 A 99 99 VAL CB C 99 32.962 35.005 -2.043 1
1 1128 . 20 1 1 A 99 99 VAL C C 99 176.689 175.073 1.616 1
1 1129 . 20 1 1 A 100 100 GLY N N 100 118.412 113.985 4.427 1
1 1130 . 20 1 1 A 100 100 GLY H H 100 8.946 8.409 0.537 1
1 1131 . 20 1 1 A 100 100 GLY CA C 100 44.504 43.903 0.601 1
1 1132 . 20 1 1 A 100 100 GLY HA3 H 100 4.506 4.357 0.149 1
1 1133 . 20 1 1 A 100 100 GLY C C 100 170.474 172.112 -1.638 1
1 1134 . 20 1 1 A 100 100 GLY HA2 H 100 4.136 4.352 -0.216 1
1 1135 . 20 1 1 A 101 101 PRO CA C 101 62.588 62.600 -0.012 1
1 1136 . 20 1 1 A 101 101 PRO HA H 101 4.525 4.621 -0.096 1
1 1137 . 20 1 1 A 101 101 PRO CB C 101 32.641 32.852 -0.211 1
1 1143 . 20 1 1 A 101 101 PRO C C 101 176.696 175.510 1.186 1
1 1147 . 20 1 1 A 102 102 LEU N N 102 121.326 122.177 -0.851 1
1 1148 . 20 1 1 A 102 102 LEU H H 102 8.374 8.328 0.046 1
1 1149 . 20 1 1 A 102 102 LEU CA C 102 55.855 53.795 2.060 1
1 1150 . 20 1 1 A 102 102 LEU HA H 102 4.221 4.837 -0.616 1
1 1151 . 20 1 1 A 102 102 LEU CB C 102 42.652 43.812 -1.160 1
1 1163 . 20 1 1 A 102 102 LEU C C 102 178.005 176.308 1.697 1
1 1165 . 20 1 1 A 103 103 GLY N N 103 110.870 113.875 -3.005 1
1 1166 . 20 1 1 A 103 103 GLY H H 103 8.481 9.014 -0.533 1
1 1167 . 20 1 1 A 103 103 GLY CA C 103 45.208 44.240 0.968 1
1 1168 . 20 1 1 A 103 103 GLY HA3 H 103 3.927 4.176 -0.249 1
1 1169 . 20 1 1 A 103 103 GLY C C 103 174.126 172.064 2.062 1
1 1170 . 20 1 1 A 103 103 GLY HA2 H 103 3.991 4.175 -0.184 1
1 1171 . 20 1 1 A 104 104 GLU N N 104 120.771 120.302 0.469 1
1 1172 . 20 1 1 A 104 104 GLU H H 104 8.308 8.734 -0.426 1
1 1173 . 20 1 1 A 104 104 GLU CA C 104 56.713 55.121 1.592 1
1 1174 . 20 1 1 A 104 104 GLU HA H 104 4.318 4.883 -0.565 1
1 1175 . 20 1 1 A 104 104 GLU CB C 104 30.470 31.786 -1.316 1
1 1179 . 20 1 1 A 104 104 GLU C C 104 177.052 175.272 1.780 1
1 1182 . 20 1 1 A 105 105 GLY N N 105 110.589 113.428 -2.839 1
1 1183 . 20 1 1 A 105 105 GLY H H 105 8.546 8.475 0.071 1
1 1184 . 20 1 1 A 105 105 GLY CA C 105 45.256 46.133 -0.877 1
1 1185 . 20 1 1 A 105 105 GLY HA3 H 105 3.925 4.257 -0.332 1
1 1186 . 20 1 1 A 105 105 GLY C C 105 173.795 173.297 0.498 1
1 1187 . 20 1 1 A 105 105 GLY HA2 H 105 3.992 4.257 -0.265 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 99 1.027 1
2 1 1 1 "RMS(OBS, PRED)" CA 99 1.349 1
3 1 1 1 "RMS(OBS, PRED)" CB 89 1.418 1
4 1 1 1 "RMS(OBS, PRED)" H 90 0.545 1
5 1 1 1 "RMS(OBS, PRED)" HA 109 0.370 1
6 1 1 1 "RMS(OBS, PRED)" N 89 2.910 1
7 1 2 1 "RMS(OBS, PRED)" C 99 1.092 1
8 1 2 1 "RMS(OBS, PRED)" CA 99 1.251 1
9 1 2 1 "RMS(OBS, PRED)" CB 89 1.509 1
10 1 2 1 "RMS(OBS, PRED)" H 90 0.514 1
11 1 2 1 "RMS(OBS, PRED)" HA 109 0.392 1
12 1 2 1 "RMS(OBS, PRED)" N 89 2.996 1
13 1 3 1 "RMS(OBS, PRED)" C 99 1.057 1
14 1 3 1 "RMS(OBS, PRED)" CA 99 1.194 1
15 1 3 1 "RMS(OBS, PRED)" CB 89 1.437 1
16 1 3 1 "RMS(OBS, PRED)" H 90 0.473 1
17 1 3 1 "RMS(OBS, PRED)" HA 109 0.383 1
18 1 3 1 "RMS(OBS, PRED)" N 89 2.915 1
19 1 4 1 "RMS(OBS, PRED)" C 99 1.165 1
20 1 4 1 "RMS(OBS, PRED)" CA 99 1.360 1
21 1 4 1 "RMS(OBS, PRED)" CB 89 1.480 1
22 1 4 1 "RMS(OBS, PRED)" H 90 0.493 1
23 1 4 1 "RMS(OBS, PRED)" HA 109 0.385 1
24 1 4 1 "RMS(OBS, PRED)" N 89 2.880 1
25 1 5 1 "RMS(OBS, PRED)" C 99 1.100 1
26 1 5 1 "RMS(OBS, PRED)" CA 99 1.251 1
27 1 5 1 "RMS(OBS, PRED)" CB 89 1.297 1
28 1 5 1 "RMS(OBS, PRED)" H 90 0.533 1
29 1 5 1 "RMS(OBS, PRED)" HA 109 0.386 1
30 1 5 1 "RMS(OBS, PRED)" N 89 2.995 1
31 1 6 1 "RMS(OBS, PRED)" C 99 1.071 1
32 1 6 1 "RMS(OBS, PRED)" CA 99 1.278 1
33 1 6 1 "RMS(OBS, PRED)" CB 89 1.497 1
34 1 6 1 "RMS(OBS, PRED)" H 90 0.476 1
35 1 6 1 "RMS(OBS, PRED)" HA 109 0.385 1
36 1 6 1 "RMS(OBS, PRED)" N 89 2.852 1
37 1 7 1 "RMS(OBS, PRED)" C 99 1.038 1
38 1 7 1 "RMS(OBS, PRED)" CA 99 1.319 1
39 1 7 1 "RMS(OBS, PRED)" CB 89 1.517 1
40 1 7 1 "RMS(OBS, PRED)" H 90 0.517 1
41 1 7 1 "RMS(OBS, PRED)" HA 109 0.386 1
42 1 7 1 "RMS(OBS, PRED)" N 89 2.779 1
43 1 8 1 "RMS(OBS, PRED)" C 99 1.029 1
44 1 8 1 "RMS(OBS, PRED)" CA 99 1.470 1
45 1 8 1 "RMS(OBS, PRED)" CB 89 1.460 1
46 1 8 1 "RMS(OBS, PRED)" H 90 0.489 1
47 1 8 1 "RMS(OBS, PRED)" HA 109 0.391 1
48 1 8 1 "RMS(OBS, PRED)" N 89 2.841 1
49 1 9 1 "RMS(OBS, PRED)" C 99 1.093 1
50 1 9 1 "RMS(OBS, PRED)" CA 99 1.361 1
51 1 9 1 "RMS(OBS, PRED)" CB 89 1.527 1
52 1 9 1 "RMS(OBS, PRED)" H 90 0.512 1
53 1 9 1 "RMS(OBS, PRED)" HA 109 0.407 1
54 1 9 1 "RMS(OBS, PRED)" N 89 3.156 1
55 1 10 1 "RMS(OBS, PRED)" C 99 1.131 1
56 1 10 1 "RMS(OBS, PRED)" CA 99 1.253 1
57 1 10 1 "RMS(OBS, PRED)" CB 89 1.531 1
58 1 10 1 "RMS(OBS, PRED)" H 90 0.488 1
59 1 10 1 "RMS(OBS, PRED)" HA 109 0.376 1
60 1 10 1 "RMS(OBS, PRED)" N 89 2.864 1
61 1 11 1 "RMS(OBS, PRED)" C 99 1.030 1
62 1 11 1 "RMS(OBS, PRED)" CA 99 1.188 1
63 1 11 1 "RMS(OBS, PRED)" CB 89 1.533 1
64 1 11 1 "RMS(OBS, PRED)" H 90 0.464 1
65 1 11 1 "RMS(OBS, PRED)" HA 109 0.383 1
66 1 11 1 "RMS(OBS, PRED)" N 89 3.025 1
67 1 12 1 "RMS(OBS, PRED)" C 99 1.083 1
68 1 12 1 "RMS(OBS, PRED)" CA 99 1.283 1
69 1 12 1 "RMS(OBS, PRED)" CB 89 1.398 1
70 1 12 1 "RMS(OBS, PRED)" H 90 0.506 1
71 1 12 1 "RMS(OBS, PRED)" HA 109 0.404 1
72 1 12 1 "RMS(OBS, PRED)" N 89 2.982 1
73 1 13 1 "RMS(OBS, PRED)" C 99 1.015 1
74 1 13 1 "RMS(OBS, PRED)" CA 99 1.180 1
75 1 13 1 "RMS(OBS, PRED)" CB 89 1.437 1
76 1 13 1 "RMS(OBS, PRED)" H 90 0.478 1
77 1 13 1 "RMS(OBS, PRED)" HA 109 0.363 1
78 1 13 1 "RMS(OBS, PRED)" N 89 2.839 1
79 1 14 1 "RMS(OBS, PRED)" C 99 1.088 1
80 1 14 1 "RMS(OBS, PRED)" CA 99 1.311 1
81 1 14 1 "RMS(OBS, PRED)" CB 89 1.440 1
82 1 14 1 "RMS(OBS, PRED)" H 90 0.491 1
83 1 14 1 "RMS(OBS, PRED)" HA 109 0.398 1
84 1 14 1 "RMS(OBS, PRED)" N 89 2.604 1
85 1 15 1 "RMS(OBS, PRED)" C 99 1.064 1
86 1 15 1 "RMS(OBS, PRED)" CA 99 1.267 1
87 1 15 1 "RMS(OBS, PRED)" CB 89 1.446 1
88 1 15 1 "RMS(OBS, PRED)" H 90 0.470 1
89 1 15 1 "RMS(OBS, PRED)" HA 109 0.343 1
90 1 15 1 "RMS(OBS, PRED)" N 89 2.771 1
91 1 16 1 "RMS(OBS, PRED)" C 99 1.105 1
92 1 16 1 "RMS(OBS, PRED)" CA 99 1.125 1
93 1 16 1 "RMS(OBS, PRED)" CB 89 1.605 1
94 1 16 1 "RMS(OBS, PRED)" H 90 0.495 1
95 1 16 1 "RMS(OBS, PRED)" HA 109 0.404 1
96 1 16 1 "RMS(OBS, PRED)" N 89 2.866 1
97 1 17 1 "RMS(OBS, PRED)" C 99 1.147 1
98 1 17 1 "RMS(OBS, PRED)" CA 99 1.375 1
99 1 17 1 "RMS(OBS, PRED)" CB 89 1.493 1
100 1 17 1 "RMS(OBS, PRED)" H 90 0.493 1
101 1 17 1 "RMS(OBS, PRED)" HA 109 0.397 1
102 1 17 1 "RMS(OBS, PRED)" N 89 2.833 1
103 1 18 1 "RMS(OBS, PRED)" C 99 1.069 1
104 1 18 1 "RMS(OBS, PRED)" CA 99 1.246 1
105 1 18 1 "RMS(OBS, PRED)" CB 89 1.481 1
106 1 18 1 "RMS(OBS, PRED)" H 90 0.515 1
107 1 18 1 "RMS(OBS, PRED)" HA 109 0.390 1
108 1 18 1 "RMS(OBS, PRED)" N 89 2.820 1
109 1 19 1 "RMS(OBS, PRED)" C 99 1.075 1
110 1 19 1 "RMS(OBS, PRED)" CA 99 1.252 1
111 1 19 1 "RMS(OBS, PRED)" CB 89 1.472 1
112 1 19 1 "RMS(OBS, PRED)" H 90 0.465 1
113 1 19 1 "RMS(OBS, PRED)" HA 109 0.365 1
114 1 19 1 "RMS(OBS, PRED)" N 89 2.964 1
115 1 20 1 "RMS(OBS, PRED)" C 99 1.170 1
116 1 20 1 "RMS(OBS, PRED)" CA 99 1.207 1
117 1 20 1 "RMS(OBS, PRED)" CB 89 1.479 1
118 1 20 1 "RMS(OBS, PRED)" H 90 0.489 1
119 1 20 1 "RMS(OBS, PRED)" HA 109 0.399 1
120 1 20 1 "RMS(OBS, PRED)" N 89 2.752 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 7 7 GLY CA C 7 45.415 45.690 -0.275 2
1 2 . 1 1 A 7 7 GLY HA3 H 7 3.972 4.051 -0.079 2
1 3 . 1 1 A 7 7 GLY C C 7 174.102 173.174 0.928 2
1 4 . 1 1 A 7 7 GLY HA2 H 7 3.972 4.050 -0.078 2
1 5 . 1 1 A 8 8 ARG N N 8 120.724 121.480 -0.756 2
1 6 . 1 1 A 8 8 ARG H H 8 8.124 8.428 -0.304 2
1 7 . 1 1 A 8 8 ARG CA C 8 56.123 55.184 0.939 2
1 8 . 1 1 A 8 8 ARG HA H 8 4.363 4.621 -0.258 2
1 9 . 1 1 A 8 8 ARG CB C 8 30.881 31.495 -0.614 2
1 15 . 1 1 A 8 8 ARG C C 8 176.487 175.026 1.460 2
1 19 . 1 1 A 9 9 VAL N N 9 121.839 122.178 -0.339 2
1 20 . 1 1 A 9 9 VAL H H 9 8.204 8.429 -0.225 2
1 21 . 1 1 A 9 9 VAL CA C 9 62.438 61.444 0.994 2
1 22 . 1 1 A 9 9 VAL HA H 9 4.081 4.444 -0.362 2
1 23 . 1 1 A 9 9 VAL CB C 9 32.773 33.188 -0.415 2
1 33 . 1 1 A 9 9 VAL C C 9 176.204 174.845 1.359 2
1 34 . 1 1 A 10 10 LYS N N 10 125.552 126.398 -0.846 2
1 35 . 1 1 A 10 10 LYS H H 10 8.437 8.661 -0.224 2
1 36 . 1 1 A 10 10 LYS CA C 10 56.575 55.051 1.524 2
1 37 . 1 1 A 10 10 LYS HA H 10 4.280 4.712 -0.432 2
1 38 . 1 1 A 10 10 LYS CB C 10 33.046 34.361 -1.315 2
1 46 . 1 1 A 10 10 LYS C C 10 176.486 175.618 0.868 2
1 51 . 1 1 A 11 11 GLU N N 11 122.741 122.231 0.510 2
1 52 . 1 1 A 11 11 GLU H H 11 8.490 8.628 -0.138 2
1 53 . 1 1 A 11 11 GLU CA C 11 56.717 56.288 0.429 2
1 54 . 1 1 A 11 11 GLU HA H 11 4.303 4.585 -0.282 2
1 55 . 1 1 A 11 11 GLU CB C 11 30.422 31.089 -0.667 2
1 59 . 1 1 A 11 11 GLU C C 11 176.428 176.016 0.412 2
1 62 . 1 1 A 12 12 SER N N 12 117.227 116.773 0.454 2
1 63 . 1 1 A 12 12 SER H H 12 8.434 8.431 0.003 2
1 64 . 1 1 A 12 12 SER CA C 12 58.340 57.971 0.369 2
1 65 . 1 1 A 12 12 SER HA H 12 4.477 4.763 -0.286 2
1 66 . 1 1 A 12 12 SER CB C 12 63.670 64.567 -0.897 2
1 68 . 1 1 A 12 12 SER C C 12 174.574 173.901 0.673 2
1 70 . 1 1 A 13 13 ILE N N 13 122.704 123.867 -1.163 2
1 71 . 1 1 A 13 13 ILE H H 13 8.189 8.641 -0.452 2
1 72 . 1 1 A 13 13 ILE CA C 13 61.364 60.636 0.728 2
1 73 . 1 1 A 13 13 ILE HA H 13 4.270 4.543 -0.273 2
1 74 . 1 1 A 13 13 ILE CB C 13 38.870 39.558 -0.688 2
1 86 . 1 1 A 13 13 ILE C C 13 176.445 175.363 1.081 2
1 88 . 1 1 A 14 14 THR N N 14 118.671 118.965 -0.294 2
1 89 . 1 1 A 14 14 THR H H 14 8.265 8.424 -0.159 2
1 90 . 1 1 A 14 14 THR CA C 14 62.080 61.429 0.650 2
1 91 . 1 1 A 14 14 THR HA H 14 4.338 4.681 -0.343 2
1 92 . 1 1 A 14 14 THR CB C 14 69.779 70.070 -0.290 2
1 98 . 1 1 A 14 14 THR C C 14 174.465 173.882 0.583 2
1 99 . 1 1 A 15 15 ARG N N 15 124.132 124.667 -0.535 2
1 100 . 1 1 A 15 15 ARG H H 15 8.428 8.466 -0.038 2
1 101 . 1 1 A 15 15 ARG CA C 15 56.221 55.789 0.432 2
1 102 . 1 1 A 15 15 ARG HA H 15 4.447 4.585 -0.139 2
1 103 . 1 1 A 15 15 ARG CB C 15 30.949 31.864 -0.915 2
1 109 . 1 1 A 15 15 ARG C C 15 176.374 175.428 0.946 2
1 113 . 1 1 A 16 16 THR N N 16 115.339 115.434 -0.095 2
1 114 . 1 1 A 16 16 THR H H 16 8.232 8.240 -0.008 2
1 115 . 1 1 A 16 16 THR CA C 16 61.828 61.854 -0.026 2
1 116 . 1 1 A 16 16 THR HA H 16 4.389 4.612 -0.223 2
1 117 . 1 1 A 16 16 THR CB C 16 69.896 69.930 -0.034 2
1 123 . 1 1 A 16 16 THR C C 16 174.518 173.768 0.750 2
1 124 . 1 1 A 17 17 SER N N 17 118.278 118.756 -0.478 2
1 125 . 1 1 A 17 17 SER H H 17 8.331 8.515 -0.184 2
1 126 . 1 1 A 17 17 SER CA C 17 58.326 57.913 0.413 2
1 127 . 1 1 A 17 17 SER HA H 17 4.500 4.787 -0.287 2
1 128 . 1 1 A 17 17 SER CB C 17 63.918 64.782 -0.864 2
1 130 . 1 1 A 17 17 SER C C 17 174.172 173.442 0.730 2
1 132 . 1 1 A 18 18 ARG N N 18 122.935 123.586 -0.651 2
1 133 . 1 1 A 18 18 ARG H H 18 8.376 8.449 -0.073 2
1 134 . 1 1 A 18 18 ARG CA C 18 55.772 55.543 0.229 2
1 135 . 1 1 A 18 18 ARG HA H 18 4.386 4.683 -0.297 2
1 136 . 1 1 A 18 18 ARG CB C 18 31.073 31.408 -0.335 2
1 142 . 1 1 A 18 18 ARG C C 18 175.493 175.263 0.230 2
1 146 . 1 1 A 19 19 ALA N N 19 126.804 125.310 1.494 2
1 147 . 1 1 A 19 19 ALA H H 19 8.357 8.533 -0.176 2
1 148 . 1 1 A 19 19 ALA CA C 19 50.553 50.309 0.244 2
1 149 . 1 1 A 19 19 ALA HA H 19 4.585 4.716 -0.131 2
1 150 . 1 1 A 19 19 ALA CB C 19 18.208 20.442 -2.234 2
1 154 . 1 1 A 19 19 ALA C C 19 175.408 175.683 -0.275 2
1 155 . 1 1 A 20 20 PRO CA C 20 63.352 62.939 0.413 2
1 156 . 1 1 A 20 20 PRO HA H 20 4.455 4.679 -0.224 2
1 157 . 1 1 A 20 20 PRO CB C 20 32.196 32.108 0.088 2
1 163 . 1 1 A 20 20 PRO C C 20 176.846 175.931 0.915 2
1 167 . 1 1 A 21 21 SER N N 21 116.414 115.920 0.494 2
1 168 . 1 1 A 21 21 SER H H 21 8.449 8.375 0.074 2
1 169 . 1 1 A 21 21 SER CA C 21 58.507 57.912 0.595 2
1 170 . 1 1 A 21 21 SER HA H 21 4.475 4.766 -0.291 2
1 171 . 1 1 A 21 21 SER CB C 21 63.851 65.056 -1.205 2
1 173 . 1 1 A 21 21 SER C C 21 174.344 173.192 1.152 2
1 175 . 1 1 A 22 22 VAL N N 22 120.580 122.572 -1.992 2
1 176 . 1 1 A 22 22 VAL H H 22 8.110 8.478 -0.368 2
1 177 . 1 1 A 22 22 VAL CA C 22 61.788 61.218 0.570 2
1 178 . 1 1 A 22 22 VAL HA H 22 4.293 4.515 -0.222 2
1 179 . 1 1 A 22 22 VAL CB C 22 33.445 33.041 0.403 2
1 189 . 1 1 A 22 22 VAL C C 22 175.160 174.991 0.169 2
1 190 . 1 1 A 23 23 ALA N N 23 127.788 126.855 0.933 2
1 191 . 1 1 A 23 23 ALA H H 23 8.428 8.701 -0.274 2
1 192 . 1 1 A 23 23 ALA CA C 23 51.790 50.944 0.846 2
1 193 . 1 1 A 23 23 ALA HA H 23 4.594 4.990 -0.396 2
1 194 . 1 1 A 23 23 ALA CB C 23 21.050 22.194 -1.144 2
1 198 . 1 1 A 23 23 ALA C C 23 176.198 175.775 0.423 2
1 199 . 1 1 A 24 24 THR N N 24 115.139 116.232 -1.093 2
1 200 . 1 1 A 24 24 THR H H 24 8.338 8.655 -0.317 2
1 201 . 1 1 A 24 24 THR CA C 24 60.519 60.511 0.008 2
1 202 . 1 1 A 24 24 THR HA H 24 4.674 4.948 -0.274 2
1 203 . 1 1 A 24 24 THR CB C 24 72.048 71.125 0.923 2
1 209 . 1 1 A 24 24 THR C C 24 173.979 172.507 1.472 2
1 210 . 1 1 A 25 25 VAL N N 25 122.772 122.768 0.004 2
1 211 . 1 1 A 25 25 VAL H H 25 8.002 8.687 -0.685 2
1 212 . 1 1 A 25 25 VAL CA C 25 64.582 60.130 4.452 2
1 213 . 1 1 A 25 25 VAL HA H 25 3.280 4.623 -1.343 2
1 214 . 1 1 A 25 25 VAL CB C 25 32.102 34.163 -2.061 2
1 224 . 1 1 A 25 25 VAL C C 25 176.709 175.992 0.717 2
1 225 . 1 1 A 26 26 GLY N N 26 112.345 116.185 -3.840 2
1 226 . 1 1 A 26 26 GLY H H 26 8.344 8.875 -0.531 2
1 227 . 1 1 A 26 26 GLY CA C 26 45.534 46.433 -0.899 2
1 228 . 1 1 A 26 26 GLY HA3 H 26 4.166 3.937 0.229 2
1 229 . 1 1 A 26 26 GLY C C 26 173.701 173.463 0.238 2
1 230 . 1 1 A 26 26 GLY HA2 H 26 3.519 3.926 -0.407 2
1 231 . 1 1 A 27 27 SER N N 27 116.474 113.428 3.046 2
1 232 . 1 1 A 27 27 SER H H 27 7.738 7.668 0.070 2
1 233 . 1 1 A 27 27 SER CA C 27 57.264 57.260 0.004 2
1 234 . 1 1 A 27 27 SER HA H 27 4.692 4.847 -0.155 2
1 235 . 1 1 A 27 27 SER CB C 27 65.270 65.720 -0.450 2
1 237 . 1 1 A 27 27 SER C C 27 172.491 173.069 -0.578 2
1 239 . 1 1 A 28 28 ILE N N 28 122.052 124.751 -2.699 2
1 240 . 1 1 A 28 28 ILE H H 28 8.350 8.643 -0.293 2
1 241 . 1 1 A 28 28 ILE CA C 28 62.995 61.950 1.045 2
1 242 . 1 1 A 28 28 ILE HA H 28 3.693 4.146 -0.453 2
1 243 . 1 1 A 28 28 ILE CB C 28 38.221 37.064 1.157 2
1 255 . 1 1 A 28 28 ILE C C 28 175.624 175.185 0.439 2
1 257 . 1 1 A 29 29 CYS N N 29 129.493 127.390 2.103 2
1 258 . 1 1 A 29 29 CYS H H 29 8.730 8.687 0.043 2
1 259 . 1 1 A 29 29 CYS CA C 29 58.201 57.394 0.807 2
1 260 . 1 1 A 29 29 CYS HA H 29 4.451 4.887 -0.436 2
1 261 . 1 1 A 29 29 CYS CB C 29 28.560 28.911 -0.351 2
1 263 . 1 1 A 29 29 CYS C C 29 171.207 173.238 -2.031 2
1 265 . 1 1 A 30 30 ASP N N 30 123.789 125.920 -2.131 2
1 266 . 1 1 A 30 30 ASP H H 30 8.000 8.657 -0.657 2
1 267 . 1 1 A 30 30 ASP CA C 30 52.692 53.483 -0.791 2
1 268 . 1 1 A 30 30 ASP HA H 30 5.315 4.952 0.363 2
1 269 . 1 1 A 30 30 ASP CB C 30 43.397 41.557 1.840 2
1 271 . 1 1 A 30 30 ASP C C 30 175.569 174.706 0.863 2
1 273 . 1 1 A 31 31 LEU N N 31 125.116 126.719 -1.603 2
1 274 . 1 1 A 31 31 LEU H H 31 9.147 9.065 0.082 2
1 275 . 1 1 A 31 31 LEU CA C 31 53.606 53.674 -0.068 2
1 276 . 1 1 A 31 31 LEU HA H 31 4.515 4.807 -0.292 2
1 277 . 1 1 A 31 31 LEU CB C 31 43.262 44.016 -0.754 2
1 289 . 1 1 A 31 31 LEU C C 31 174.935 175.144 -0.209 2
1 291 . 1 1 A 32 32 ASN N N 32 124.687 125.632 -0.945 2
1 292 . 1 1 A 32 32 ASN H H 32 8.690 8.796 -0.106 2
1 293 . 1 1 A 32 32 ASN CA C 32 53.696 52.715 0.981 2
1 294 . 1 1 A 32 32 ASN HA H 32 5.077 5.097 -0.020 2
1 295 . 1 1 A 32 32 ASN CB C 32 39.842 39.397 0.445 2
1 300 . 1 1 A 32 32 ASN C C 32 174.322 174.534 -0.212 2
1 302 . 1 1 A 33 33 LEU N N 33 123.838 125.654 -1.816 2
1 303 . 1 1 A 33 33 LEU H H 33 8.912 8.479 0.433 2
1 304 . 1 1 A 33 33 LEU CA C 33 53.820 53.380 0.440 2
1 305 . 1 1 A 33 33 LEU HA H 33 4.638 4.948 -0.310 2
1 306 . 1 1 A 33 33 LEU CB C 33 45.587 45.132 0.455 2
1 318 . 1 1 A 33 33 LEU C C 33 175.719 175.759 -0.040 2
1 320 . 1 1 A 34 34 LYS N N 34 124.925 123.059 1.866 2
1 321 . 1 1 A 34 34 LYS H H 34 8.718 8.590 0.128 2
1 322 . 1 1 A 34 34 LYS CA C 34 55.079 55.837 -0.758 2
1 323 . 1 1 A 34 34 LYS HA H 34 5.036 4.561 0.474 2
1 324 . 1 1 A 34 34 LYS CB C 34 32.121 31.944 0.177 2
1 332 . 1 1 A 34 34 LYS C C 34 176.081 175.312 0.769 2
1 337 . 1 1 A 35 35 ILE N N 35 123.769 125.720 -1.951 2
1 338 . 1 1 A 35 35 ILE H H 35 7.935 8.141 -0.206 2
1 339 . 1 1 A 35 35 ILE CA C 35 58.161 57.866 0.295 2
1 340 . 1 1 A 35 35 ILE HA H 35 4.612 4.531 0.081 2
1 341 . 1 1 A 35 35 ILE CB C 35 40.616 39.693 0.923 2
1 353 . 1 1 A 35 35 ILE C C 35 173.405 174.407 -1.002 2
1 355 . 1 1 A 36 36 PRO CA C 36 63.143 62.299 0.844 2
1 356 . 1 1 A 36 36 PRO HA H 36 4.435 4.619 -0.184 2
1 357 . 1 1 A 36 36 PRO CB C 36 32.806 33.295 -0.489 2
1 363 . 1 1 A 36 36 PRO C C 36 176.844 177.094 -0.250 2
1 367 . 1 1 A 37 37 GLU N N 37 114.188 119.886 -5.698 2
1 368 . 1 1 A 37 37 GLU H H 37 8.358 8.798 -0.440 2
1 369 . 1 1 A 37 37 GLU CA C 37 59.038 59.299 -0.261 2
1 370 . 1 1 A 37 37 GLU HA H 37 3.916 4.059 -0.143 2
1 371 . 1 1 A 37 37 GLU CB C 37 28.206 29.180 -0.974 2
1 375 . 1 1 A 37 37 GLU C C 37 175.996 177.527 -1.531 2
1 378 . 1 1 A 38 38 ILE N N 38 118.733 123.137 -4.404 2
1 379 . 1 1 A 38 38 ILE H H 38 7.679 7.422 0.257 2
1 380 . 1 1 A 38 38 ILE CA C 38 60.711 62.201 -1.490 2
1 381 . 1 1 A 38 38 ILE HA H 38 4.029 3.906 0.123 2
1 382 . 1 1 A 38 38 ILE CB C 38 40.278 37.790 2.488 2
1 394 . 1 1 A 38 38 ILE C C 38 175.255 176.222 -0.967 2
1 396 . 1 1 A 39 39 ASN H H 39 8.593 8.707 -0.114 2
1 397 . 1 1 A 39 39 ASN CA C 39 52.929 53.062 -0.133 2
1 398 . 1 1 A 39 39 ASN HA H 39 4.921 4.931 -0.010 2
1 399 . 1 1 A 39 39 ASN CB C 39 39.419 39.883 -0.464 2
1 404 . 1 1 A 39 39 ASN C C 39 176.891 176.242 0.649 2
1 406 . 1 1 A 40 40 SER N N 40 120.676 117.711 2.965 2
1 407 . 1 1 A 40 40 SER H H 40 8.995 8.892 0.103 2
1 408 . 1 1 A 40 40 SER CA C 40 62.318 60.938 1.380 2
1 409 . 1 1 A 40 40 SER HA H 40 4.058 4.197 -0.139 2
1 410 . 1 1 A 40 40 SER CB C 40 63.297 63.331 -0.034 2
1 412 . 1 1 A 40 40 SER C C 40 176.866 176.530 0.336 2
1 414 . 1 1 A 41 41 SER N N 41 112.249 116.710 -4.461 2
1 415 . 1 1 A 41 41 SER H H 41 8.253 8.179 0.074 2
1 416 . 1 1 A 41 41 SER CA C 41 60.133 61.318 -1.185 2
1 417 . 1 1 A 41 41 SER HA H 41 4.348 4.268 0.080 2
1 418 . 1 1 A 41 41 SER CB C 41 62.986 62.911 0.075 2
1 420 . 1 1 A 41 41 SER C C 41 174.885 175.486 -0.601 2
1 422 . 1 1 A 42 42 ASP N N 42 119.471 119.034 0.436 2
1 423 . 1 1 A 42 42 ASP H H 42 7.835 7.964 -0.129 2
1 424 . 1 1 A 42 42 ASP CA C 42 54.713 55.477 -0.764 2
1 425 . 1 1 A 42 42 ASP HA H 42 4.933 4.672 0.261 2
1 426 . 1 1 A 42 42 ASP CB C 42 42.479 41.870 0.609 2
1 428 . 1 1 A 42 42 ASP C C 42 175.586 176.441 -0.855 2
1 430 . 1 1 A 43 43 MET N N 43 119.155 118.789 0.366 2
1 431 . 1 1 A 43 43 MET H H 43 7.549 7.852 -0.303 2
1 432 . 1 1 A 43 43 MET CA C 43 54.927 54.943 -0.016 2
1 433 . 1 1 A 43 43 MET HA H 43 5.359 4.857 0.502 2
1 434 . 1 1 A 43 43 MET CB C 43 37.158 34.326 2.832 2
1 442 . 1 1 A 43 43 MET C C 43 174.894 175.124 -0.230 2
1 445 . 1 1 A 44 44 SER N N 44 114.070 114.540 -0.470 2
1 446 . 1 1 A 44 44 SER H H 44 8.739 8.408 0.331 2
1 447 . 1 1 A 44 44 SER CA C 44 56.937 57.560 -0.623 2
1 448 . 1 1 A 44 44 SER HA H 44 4.700 5.274 -0.574 2
1 449 . 1 1 A 44 44 SER CB C 44 66.247 66.007 0.240 2
1 451 . 1 1 A 44 44 SER C C 44 172.764 172.992 -0.228 2
1 453 . 1 1 A 45 45 ALA N N 45 126.192 127.346 -1.154 2
1 454 . 1 1 A 45 45 ALA H H 45 9.123 8.853 0.270 2
1 455 . 1 1 A 45 45 ALA CA C 45 50.378 50.403 -0.025 2
1 456 . 1 1 A 45 45 ALA HA H 45 5.741 5.430 0.311 2
1 457 . 1 1 A 45 45 ALA CB C 45 23.330 21.890 1.440 2
1 461 . 1 1 A 45 45 ALA C C 45 175.089 175.898 -0.809 2
1 462 . 1 1 A 46 46 HIS N N 46 119.075 118.537 0.538 2
1 463 . 1 1 A 46 46 HIS H H 46 8.701 8.764 -0.063 2
1 464 . 1 1 A 46 46 HIS CA C 46 55.999 54.810 1.189 2
1 465 . 1 1 A 46 46 HIS HA H 46 5.157 4.968 0.189 2
1 466 . 1 1 A 46 46 HIS CB C 46 34.239 33.590 0.649 2
1 472 . 1 1 A 46 46 HIS C C 46 174.155 173.947 0.208 2
1 474 . 1 1 A 47 47 VAL N N 47 125.059 123.641 1.418 2
1 475 . 1 1 A 47 47 VAL H H 47 9.488 8.717 0.771 2
1 476 . 1 1 A 47 47 VAL CA C 47 60.604 62.128 -1.524 2
1 477 . 1 1 A 47 47 VAL HA H 47 4.730 4.424 0.306 2
1 478 . 1 1 A 47 47 VAL CB C 47 33.769 32.140 1.629 2
1 488 . 1 1 A 47 47 VAL C C 47 175.126 175.525 -0.399 2
1 489 . 1 1 A 48 48 THR N N 48 124.473 123.582 0.891 2
1 490 . 1 1 A 48 48 THR H H 48 9.432 9.055 0.377 2
1 491 . 1 1 A 48 48 THR CA C 48 61.766 62.170 -0.404 2
1 492 . 1 1 A 48 48 THR HA H 48 5.164 4.671 0.493 2
1 493 . 1 1 A 48 48 THR CB C 48 69.384 69.887 -0.503 2
1 499 . 1 1 A 48 48 THR C C 48 174.573 174.363 0.210 2
1 500 . 1 1 A 49 49 SER N N 49 125.657 120.572 5.085 2
1 501 . 1 1 A 49 49 SER H H 49 9.043 9.111 -0.068 2
1 502 . 1 1 A 49 49 SER CA C 49 56.638 56.201 0.437 2
1 503 . 1 1 A 49 49 SER HA H 49 4.225 4.769 -0.544 2
1 504 . 1 1 A 49 49 SER CB C 49 62.948 63.793 -0.845 2
1 506 . 1 1 A 49 49 SER C C 49 174.034 174.476 -0.442 2
1 508 . 1 1 A 50 50 PRO CA C 50 65.784 64.107 1.677 2
1 509 . 1 1 A 50 50 PRO HA H 50 4.260 4.476 -0.216 2
1 510 . 1 1 A 50 50 PRO CB C 50 31.493 31.611 -0.118 2
1 516 . 1 1 A 50 50 PRO C C 50 177.687 176.914 0.773 2
1 520 . 1 1 A 51 51 SER N N 51 110.322 111.072 -0.750 2
1 521 . 1 1 A 51 51 SER H H 51 8.349 7.673 0.676 2
1 522 . 1 1 A 51 51 SER CA C 51 59.076 58.508 0.568 2
1 523 . 1 1 A 51 51 SER HA H 51 4.332 4.528 -0.196 2
1 524 . 1 1 A 51 51 SER CB C 51 62.825 65.032 -2.207 2
1 526 . 1 1 A 51 51 SER C C 51 175.363 175.084 0.279 2
1 528 . 1 1 A 52 52 GLY N N 52 111.132 109.757 1.375 2
1 529 . 1 1 A 52 52 GLY H H 52 8.289 7.674 0.615 2
1 530 . 1 1 A 52 52 GLY CA C 52 44.831 45.200 -0.369 2
1 531 . 1 1 A 52 52 GLY HA3 H 52 4.302 4.029 0.273 2
1 532 . 1 1 A 52 52 GLY C C 52 174.002 174.373 -0.371 2
1 533 . 1 1 A 52 52 GLY HA2 H 52 3.421 4.027 -0.606 2
1 534 . 1 1 A 53 53 ARG N N 53 121.515 120.213 1.302 2
1 535 . 1 1 A 53 53 ARG H H 53 7.322 7.584 -0.262 2
1 536 . 1 1 A 53 53 ARG CA C 53 56.749 55.753 0.996 2
1 537 . 1 1 A 53 53 ARG HA H 53 4.222 4.503 -0.281 2
1 538 . 1 1 A 53 53 ARG CB C 53 30.430 32.060 -1.630 2
1 544 . 1 1 A 53 53 ARG C C 53 176.023 175.073 0.950 2
1 548 . 1 1 A 54 54 VAL N N 54 128.383 122.042 6.341 2
1 549 . 1 1 A 54 54 VAL H H 54 8.780 8.617 0.163 2
1 550 . 1 1 A 54 54 VAL CA C 54 61.533 61.044 0.489 2
1 551 . 1 1 A 54 54 VAL HA H 54 5.243 4.920 0.323 2
1 552 . 1 1 A 54 54 VAL CB C 54 33.205 35.082 -1.877 2
1 562 . 1 1 A 54 54 VAL C C 54 176.783 175.093 1.690 2
1 563 . 1 1 A 55 55 THR N N 55 121.757 120.900 0.857 2
1 564 . 1 1 A 55 55 THR H H 55 9.188 9.040 0.148 2
1 565 . 1 1 A 55 55 THR CA C 55 60.216 60.322 -0.106 2
1 566 . 1 1 A 55 55 THR HA H 55 4.751 5.053 -0.302 2
1 567 . 1 1 A 55 55 THR CB C 55 71.896 72.016 -0.120 2
1 573 . 1 1 A 55 55 THR C C 55 173.454 172.819 0.635 2
1 574 . 1 1 A 56 56 GLU N N 56 125.373 122.820 2.553 2
1 575 . 1 1 A 56 56 GLU H H 56 8.927 8.848 0.079 2
1 576 . 1 1 A 56 56 GLU CA C 56 57.019 54.716 2.303 2
1 577 . 1 1 A 56 56 GLU HA H 56 4.365 4.865 -0.500 2
1 578 . 1 1 A 56 56 GLU CB C 56 30.230 32.656 -2.426 2
1 582 . 1 1 A 56 56 GLU C C 56 175.556 175.067 0.489 2
1 585 . 1 1 A 57 57 ALA N N 57 128.204 127.515 0.689 2
1 586 . 1 1 A 57 57 ALA H H 57 8.201 8.592 -0.391 2
1 587 . 1 1 A 57 57 ALA CA C 57 50.068 50.015 0.053 2
1 588 . 1 1 A 57 57 ALA HA H 57 4.827 5.245 -0.418 2
1 589 . 1 1 A 57 57 ALA CB C 57 21.531 23.027 -1.496 2
1 593 . 1 1 A 57 57 ALA C C 57 175.178 174.995 0.183 2
1 594 . 1 1 A 58 58 GLU N N 58 120.950 120.511 0.439 2
1 595 . 1 1 A 58 58 GLU H H 58 8.202 8.831 -0.629 2
1 596 . 1 1 A 58 58 GLU CA C 58 55.505 55.219 0.286 2
1 597 . 1 1 A 58 58 GLU HA H 58 4.509 5.018 -0.509 2
1 598 . 1 1 A 58 58 GLU CB C 58 32.301 32.411 -0.110 2
1 602 . 1 1 A 58 58 GLU C C 58 175.025 175.209 -0.184 2
1 605 . 1 1 A 59 59 ILE N N 59 122.574 126.464 -3.890 2
1 606 . 1 1 A 59 59 ILE H H 59 8.578 8.960 -0.381 2
1 607 . 1 1 A 59 59 ILE CA C 59 60.355 60.113 0.242 2
1 608 . 1 1 A 59 59 ILE HA H 59 4.954 4.691 0.263 2
1 609 . 1 1 A 59 59 ILE CB C 59 38.374 38.834 -0.460 2
1 621 . 1 1 A 59 59 ILE C C 59 175.709 175.252 0.457 2
1 623 . 1 1 A 60 60 VAL N N 60 129.074 128.121 0.953 2
1 624 . 1 1 A 60 60 VAL H H 60 9.543 8.892 0.651 2
1 625 . 1 1 A 60 60 VAL CA C 60 58.472 60.082 -1.610 2
1 626 . 1 1 A 60 60 VAL HA H 60 4.737 4.332 0.405 2
1 627 . 1 1 A 60 60 VAL CB C 60 34.522 32.562 1.960 2
1 637 . 1 1 A 60 60 VAL C C 60 174.024 174.726 -0.702 2
1 638 . 1 1 A 61 61 PRO CA C 61 63.313 62.421 0.892 2
1 639 . 1 1 A 61 61 PRO HA H 61 4.611 4.626 -0.015 2
1 640 . 1 1 A 61 61 PRO CB C 61 32.270 31.260 1.010 2
1 646 . 1 1 A 61 61 PRO C C 61 177.388 176.663 0.725 2
1 650 . 1 1 A 62 62 MET N N 62 122.153 121.079 1.074 2
1 651 . 1 1 A 62 62 MET H H 62 7.843 8.591 -0.748 2
1 652 . 1 1 A 62 62 MET CA C 62 53.470 57.310 -3.840 2
1 653 . 1 1 A 62 62 MET HA H 62 4.765 4.377 0.388 2
1 654 . 1 1 A 62 62 MET CB C 62 33.144 33.416 -0.272 2
1 662 . 1 1 A 62 62 MET C C 62 175.742 176.244 -0.502 2
1 665 . 1 1 A 63 63 GLY N N 63 109.196 104.492 4.704 2
1 666 . 1 1 A 63 63 GLY H H 63 7.757 7.247 0.510 2
1 667 . 1 1 A 63 63 GLY CA C 63 44.092 45.555 -1.463 2
1 668 . 1 1 A 63 63 GLY HA3 H 63 4.193 4.018 0.175 2
1 669 . 1 1 A 63 63 GLY C C 63 173.451 172.885 0.566 2
1 670 . 1 1 A 63 63 GLY HA2 H 63 3.757 4.012 -0.255 2
1 671 . 1 1 A 64 64 LYS CA C 64 58.104 56.884 1.220 2
1 672 . 1 1 A 64 64 LYS HA H 64 3.994 4.204 -0.210 2
1 673 . 1 1 A 64 64 LYS CB C 64 31.766 32.607 -0.841 2
1 681 . 1 1 A 64 64 LYS C C 64 177.657 176.919 0.738 2
1 686 . 1 1 A 65 65 ASN N N 65 117.648 119.876 -2.228 2
1 687 . 1 1 A 65 65 ASN H H 65 8.860 8.726 0.134 2
1 688 . 1 1 A 65 65 ASN CA C 65 54.222 53.765 0.457 2
1 689 . 1 1 A 65 65 ASN HA H 65 4.587 4.569 0.018 2
1 690 . 1 1 A 65 65 ASN CB C 65 38.313 37.307 1.006 2
1 695 . 1 1 A 65 65 ASN C C 65 173.302 174.293 -0.991 2
1 697 . 1 1 A 66 66 SER N N 66 112.701 114.316 -1.615 2
1 698 . 1 1 A 66 66 SER H H 66 7.367 7.379 -0.012 2
1 699 . 1 1 A 66 66 SER CA C 66 57.766 57.140 0.626 2
1 700 . 1 1 A 66 66 SER HA H 66 5.112 5.124 -0.012 2
1 701 . 1 1 A 66 66 SER CB C 66 65.000 65.797 -0.797 2
1 703 . 1 1 A 66 66 SER C C 66 172.793 172.770 0.023 2
1 705 . 1 1 A 67 67 HIS N N 67 124.096 120.757 3.339 2
1 706 . 1 1 A 67 67 HIS H H 67 8.735 8.824 -0.089 2
1 707 . 1 1 A 67 67 HIS CA C 67 55.123 54.641 0.482 2
1 708 . 1 1 A 67 67 HIS HA H 67 4.975 5.018 -0.043 2
1 709 . 1 1 A 67 67 HIS CB C 67 34.914 33.848 1.066 2
1 715 . 1 1 A 67 67 HIS C C 67 173.884 173.649 0.235 2
1 717 . 1 1 A 68 68 CYS N N 68 122.598 122.267 0.331 2
1 718 . 1 1 A 68 68 CYS H H 68 9.333 8.746 0.587 2
1 719 . 1 1 A 68 68 CYS CA C 68 56.907 57.241 -0.334 2
1 720 . 1 1 A 68 68 CYS HA H 68 5.311 5.061 0.250 2
1 721 . 1 1 A 68 68 CYS CB C 68 29.314 30.550 -1.237 2
1 723 . 1 1 A 68 68 CYS C C 68 173.554 173.028 0.526 2
1 725 . 1 1 A 69 69 VAL N N 69 128.613 127.101 1.512 2
1 726 . 1 1 A 69 69 VAL H H 69 9.074 8.798 0.276 2
1 727 . 1 1 A 69 69 VAL CA C 69 61.632 61.513 0.119 2
1 728 . 1 1 A 69 69 VAL HA H 69 4.725 4.934 -0.209 2
1 729 . 1 1 A 69 69 VAL CB C 69 32.387 33.341 -0.954 2
1 739 . 1 1 A 69 69 VAL C C 69 174.230 175.133 -0.903 2
1 740 . 1 1 A 70 70 ARG N N 70 128.053 126.166 1.887 2
1 741 . 1 1 A 70 70 ARG H H 70 9.052 8.577 0.475 2
1 742 . 1 1 A 70 70 ARG CA C 70 54.797 54.837 -0.040 2
1 743 . 1 1 A 70 70 ARG HA H 70 5.761 5.074 0.687 2
1 744 . 1 1 A 70 70 ARG CB C 70 34.395 32.106 2.289 2
1 751 . 1 1 A 70 70 ARG C C 70 175.918 175.189 0.729 2
1 755 . 1 1 A 71 71 PHE N N 71 122.942 118.117 4.825 2
1 756 . 1 1 A 71 71 PHE H H 71 8.702 8.073 0.629 2
1 757 . 1 1 A 71 71 PHE CA C 71 55.748 56.183 -0.435 2
1 758 . 1 1 A 71 71 PHE HA H 71 4.936 5.108 -0.172 2
1 759 . 1 1 A 71 71 PHE CB C 71 41.245 40.915 0.330 2
1 771 . 1 1 A 71 71 PHE C C 71 171.709 172.131 -0.422 2
1 773 . 1 1 A 72 72 VAL N N 72 122.214 120.425 1.789 2
1 774 . 1 1 A 72 72 VAL H H 72 8.512 8.896 -0.384 2
1 775 . 1 1 A 72 72 VAL CA C 72 58.398 59.387 -0.989 2
1 776 . 1 1 A 72 72 VAL HA H 72 4.752 4.709 0.043 2
1 777 . 1 1 A 72 72 VAL CB C 72 32.747 32.184 0.563 2
1 787 . 1 1 A 72 72 VAL C C 72 174.416 175.062 -0.646 2
1 788 . 1 1 A 73 73 PRO CA C 73 62.606 62.653 -0.047 2
1 789 . 1 1 A 73 73 PRO HA H 73 4.646 5.077 -0.431 2
1 790 . 1 1 A 73 73 PRO CB C 73 33.679 29.745 3.934 2
1 796 . 1 1 A 73 73 PRO C C 73 176.757 175.598 1.159 2
1 800 . 1 1 A 74 74 GLN N N 74 119.992 120.603 -0.611 2
1 801 . 1 1 A 74 74 GLN H H 74 9.869 8.467 1.402 2
1 802 . 1 1 A 74 74 GLN CA C 74 55.156 54.617 0.539 2
1 803 . 1 1 A 74 74 GLN HA H 74 4.602 5.231 -0.629 2
1 804 . 1 1 A 74 74 GLN CB C 74 31.405 30.700 0.705 2
1 811 . 1 1 A 74 74 GLN C C 74 174.987 174.572 0.415 2
1 814 . 1 1 A 75 75 GLU N N 75 119.264 124.069 -4.805 2
1 815 . 1 1 A 75 75 GLU H H 75 8.009 8.944 -0.935 2
1 816 . 1 1 A 75 75 GLU CA C 75 54.138 54.418 -0.280 2
1 817 . 1 1 A 75 75 GLU HA H 75 4.657 4.787 -0.130 2
1 818 . 1 1 A 75 75 GLU CB C 75 34.046 33.086 0.960 2
1 822 . 1 1 A 75 75 GLU C C 75 173.922 175.789 -1.867 2
1 825 . 1 1 A 76 76 MET N N 76 117.176 119.380 -2.204 2
1 826 . 1 1 A 76 76 MET H H 76 8.450 8.601 -0.150 2
1 827 . 1 1 A 76 76 MET CA C 76 55.468 55.606 -0.138 2
1 828 . 1 1 A 76 76 MET HA H 76 4.275 4.792 -0.517 2
1 829 . 1 1 A 76 76 MET CB C 76 34.487 33.413 1.074 2
1 837 . 1 1 A 76 76 MET C C 76 175.964 175.926 0.038 2
1 840 . 1 1 A 77 77 GLY N N 77 106.906 106.467 0.439 2
1 841 . 1 1 A 77 77 GLY H H 77 9.058 7.667 1.391 2
1 842 . 1 1 A 77 77 GLY CA C 77 43.832 45.976 -2.144 2
1 843 . 1 1 A 77 77 GLY HA3 H 77 3.944 4.107 -0.163 2
1 844 . 1 1 A 77 77 GLY C C 77 176.459 172.135 4.324 2
1 845 . 1 1 A 77 77 GLY HA2 H 77 4.787 4.078 0.709 2
1 846 . 1 1 A 78 78 VAL N N 78 125.184 122.347 2.838 2
1 847 . 1 1 A 78 78 VAL H H 78 9.293 8.265 1.028 2
1 848 . 1 1 A 78 78 VAL CA C 78 64.999 61.407 3.592 2
1 849 . 1 1 A 78 78 VAL HA H 78 4.178 4.485 -0.307 2
1 850 . 1 1 A 78 78 VAL CB C 78 31.558 33.070 -1.512 2
1 860 . 1 1 A 78 78 VAL C C 78 175.942 174.388 1.554 2
1 861 . 1 1 A 79 79 HIS N N 79 128.345 126.485 1.860 2
1 862 . 1 1 A 79 79 HIS H H 79 9.553 8.718 0.835 2
1 863 . 1 1 A 79 79 HIS CA C 79 55.063 54.556 0.507 2
1 864 . 1 1 A 79 79 HIS HA H 79 4.798 5.141 -0.343 2
1 865 . 1 1 A 79 79 HIS CB C 79 31.489 31.309 0.180 2
1 871 . 1 1 A 79 79 HIS C C 79 174.069 174.470 -0.401 2
1 873 . 1 1 A 80 80 THR N N 80 114.672 116.714 -2.042 2
1 874 . 1 1 A 80 80 THR H H 80 8.452 8.361 0.091 2
1 875 . 1 1 A 80 80 THR CA C 80 61.075 61.615 -0.540 2
1 876 . 1 1 A 80 80 THR HA H 80 5.213 5.137 0.076 2
1 877 . 1 1 A 80 80 THR CB C 80 70.795 71.452 -0.657 2
1 883 . 1 1 A 80 80 THR C C 80 173.863 173.289 0.574 2
1 884 . 1 1 A 81 81 VAL N N 81 127.546 128.727 -1.181 2
1 885 . 1 1 A 81 81 VAL H H 81 9.701 9.404 0.297 2
1 886 . 1 1 A 81 81 VAL CA C 81 60.799 61.532 -0.733 2
1 887 . 1 1 A 81 81 VAL HA H 81 4.782 4.644 0.138 2
1 888 . 1 1 A 81 81 VAL CB C 81 33.635 32.977 0.658 2
1 898 . 1 1 A 81 81 VAL C C 81 174.707 175.148 -0.441 2
1 899 . 1 1 A 82 82 SER N N 82 123.308 124.439 -1.131 2
1 900 . 1 1 A 82 82 SER H H 82 9.104 9.145 -0.041 2
1 901 . 1 1 A 82 82 SER CA C 82 56.981 57.880 -0.899 2
1 902 . 1 1 A 82 82 SER HA H 82 5.108 5.057 0.051 2
1 903 . 1 1 A 82 82 SER CB C 82 64.728 63.622 1.106 2
1 905 . 1 1 A 82 82 SER C C 82 173.688 173.593 0.095 2
1 907 . 1 1 A 83 83 VAL N N 83 129.049 127.372 1.677 2
1 908 . 1 1 A 83 83 VAL H H 83 9.925 8.938 0.987 2
1 909 . 1 1 A 83 83 VAL CA C 83 61.669 61.557 0.112 2
1 910 . 1 1 A 83 83 VAL HA H 83 4.897 4.883 0.014 2
1 911 . 1 1 A 83 83 VAL CB C 83 33.590 32.901 0.689 2
1 921 . 1 1 A 83 83 VAL C C 83 174.094 175.275 -1.181 2
1 922 . 1 1 A 84 84 LYS N N 84 123.792 127.029 -3.238 2
1 923 . 1 1 A 84 84 LYS H H 84 8.768 8.668 0.100 2
1 924 . 1 1 A 84 84 LYS CA C 84 54.435 54.356 0.079 2
1 925 . 1 1 A 84 84 LYS HA H 84 5.153 4.990 0.163 2
1 926 . 1 1 A 84 84 LYS CB C 84 37.608 35.704 1.904 2
1 934 . 1 1 A 84 84 LYS C C 84 174.908 174.425 0.483 2
1 939 . 1 1 A 85 85 TYR N N 85 120.439 123.684 -3.245 2
1 940 . 1 1 A 85 85 TYR H H 85 8.926 9.285 -0.359 2
1 941 . 1 1 A 85 85 TYR CA C 85 56.005 57.496 -1.491 2
1 942 . 1 1 A 85 85 TYR HA H 85 4.938 4.853 0.085 2
1 943 . 1 1 A 85 85 TYR CB C 85 41.386 40.911 0.475 2
1 953 . 1 1 A 85 85 TYR C C 85 175.255 174.981 0.274 2
1 955 . 1 1 A 86 86 ARG N N 86 127.150 128.463 -1.313 2
1 956 . 1 1 A 86 86 ARG H H 86 9.115 9.462 -0.347 2
1 957 . 1 1 A 86 86 ARG CA C 86 57.122 56.968 0.154 2
1 958 . 1 1 A 86 86 ARG HA H 86 3.659 3.823 -0.164 2
1 959 . 1 1 A 86 86 ARG CB C 86 27.563 27.471 0.092 2
1 965 . 1 1 A 86 86 ARG C C 86 176.482 176.292 0.190 2
1 969 . 1 1 A 87 87 GLY N N 87 102.394 104.600 -2.206 2
1 970 . 1 1 A 87 87 GLY H H 87 8.564 8.553 0.011 2
1 971 . 1 1 A 87 87 GLY CA C 87 45.388 46.035 -0.647 2
1 972 . 1 1 A 87 87 GLY HA3 H 87 4.099 3.848 0.251 2
1 973 . 1 1 A 87 87 GLY C C 87 173.631 173.603 0.028 2
1 974 . 1 1 A 87 87 GLY HA2 H 87 3.460 3.838 -0.378 2
1 975 . 1 1 A 88 88 GLN N N 88 119.060 117.818 1.242 2
1 976 . 1 1 A 88 88 GLN H H 88 7.665 7.708 -0.043 2
1 977 . 1 1 A 88 88 GLN CA C 88 53.265 54.328 -1.063 2
1 978 . 1 1 A 88 88 GLN HA H 88 4.749 4.765 -0.016 2
1 979 . 1 1 A 88 88 GLN CB C 88 31.383 31.688 -0.305 2
1 986 . 1 1 A 88 88 GLN C C 88 175.689 174.592 1.097 2
1 989 . 1 1 A 89 89 HIS N N 89 123.344 123.170 0.174 2
1 990 . 1 1 A 89 89 HIS H H 89 8.789 8.785 0.004 2
1 991 . 1 1 A 89 89 HIS CA C 89 59.011 57.319 1.692 2
1 992 . 1 1 A 89 89 HIS HA H 89 4.546 4.596 -0.050 2
1 993 . 1 1 A 89 89 HIS CB C 89 32.365 30.079 2.286 2
1 999 . 1 1 A 89 89 HIS C C 89 178.152 175.757 2.395 2
1 1001 . 1 1 A 90 90 VAL N N 90 117.749 121.398 -3.649 2
1 1002 . 1 1 A 90 90 VAL H H 90 8.436 8.252 0.184 2
1 1003 . 1 1 A 90 90 VAL CA C 90 60.473 61.855 -1.382 2
1 1004 . 1 1 A 90 90 VAL HA H 90 4.535 4.149 0.386 2
1 1005 . 1 1 A 90 90 VAL CB C 90 32.489 33.551 -1.062 2
1 1015 . 1 1 A 90 90 VAL C C 90 176.018 175.520 0.498 2
1 1016 . 1 1 A 91 91 THR N N 91 118.099 116.839 1.260 2
1 1017 . 1 1 A 91 91 THR H H 91 8.491 8.460 0.031 2
1 1018 . 1 1 A 91 91 THR CA C 91 65.519 65.049 0.470 2
1 1019 . 1 1 A 91 91 THR HA H 91 3.924 3.846 0.078 2
1 1020 . 1 1 A 91 91 THR CB C 91 68.972 68.453 0.519 2
1 1026 . 1 1 A 91 91 THR C C 91 174.771 176.028 -1.257 2
1 1027 . 1 1 A 92 92 GLY N N 92 116.032 114.847 1.185 2
1 1028 . 1 1 A 92 92 GLY H H 92 8.563 8.894 -0.331 2
1 1029 . 1 1 A 92 92 GLY CA C 92 44.842 46.281 -1.439 2
1 1030 . 1 1 A 92 92 GLY HA3 H 92 4.213 3.878 0.335 2
1 1031 . 1 1 A 92 92 GLY C C 92 172.199 173.058 -0.859 2
1 1032 . 1 1 A 92 92 GLY HA2 H 92 3.361 3.789 -0.428 2
1 1033 . 1 1 A 93 93 SER N N 93 113.106 115.006 -1.900 2
1 1034 . 1 1 A 93 93 SER H H 93 7.806 7.215 0.591 2
1 1035 . 1 1 A 93 93 SER CA C 93 54.600 54.487 0.113 2
1 1036 . 1 1 A 93 93 SER HA H 93 4.159 4.177 -0.018 2
1 1037 . 1 1 A 93 93 SER CB C 93 62.787 65.445 -2.658 2
1 1039 . 1 1 A 93 93 SER C C 93 174.123 172.112 2.011 2
1 1041 . 1 1 A 94 94 PRO CA C 94 62.619 62.259 0.360 2
1 1042 . 1 1 A 94 94 PRO HA H 94 5.537 4.531 1.006 2
1 1043 . 1 1 A 94 94 PRO CB C 94 34.521 32.610 1.911 2
1 1049 . 1 1 A 94 94 PRO C C 94 176.046 175.156 0.890 2
1 1053 . 1 1 A 95 95 PHE N N 95 120.547 119.748 0.799 2
1 1054 . 1 1 A 95 95 PHE H H 95 9.127 8.657 0.470 2
1 1055 . 1 1 A 95 95 PHE CA C 95 56.700 57.191 -0.491 2
1 1056 . 1 1 A 95 95 PHE HA H 95 4.844 5.061 -0.217 2
1 1057 . 1 1 A 95 95 PHE CB C 95 41.285 40.841 0.444 2
1 1069 . 1 1 A 95 95 PHE C C 95 175.219 175.200 0.019 2
1 1071 . 1 1 A 96 96 GLN N N 96 120.382 123.150 -2.768 2
1 1072 . 1 1 A 96 96 GLN H H 96 8.896 8.908 -0.012 2
1 1073 . 1 1 A 96 96 GLN CA C 96 55.028 54.954 0.074 2
1 1074 . 1 1 A 96 96 GLN HA H 96 5.440 5.110 0.330 2
1 1075 . 1 1 A 96 96 GLN CB C 96 31.867 31.023 0.843 2
1 1082 . 1 1 A 96 96 GLN C C 96 175.480 175.104 0.376 2
1 1085 . 1 1 A 97 97 PHE N N 97 121.331 120.229 1.102 2
1 1086 . 1 1 A 97 97 PHE H H 97 8.822 8.618 0.204 2
1 1087 . 1 1 A 97 97 PHE CA C 97 56.931 56.197 0.734 2
1 1088 . 1 1 A 97 97 PHE HA H 97 4.960 5.223 -0.263 2
1 1089 . 1 1 A 97 97 PHE CB C 97 42.133 41.932 0.201 2
1 1101 . 1 1 A 97 97 PHE C C 97 173.780 172.326 1.454 2
1 1103 . 1 1 A 98 98 THR N N 98 121.160 116.712 4.448 2
1 1104 . 1 1 A 98 98 THR H H 98 8.907 8.889 0.018 2
1 1105 . 1 1 A 98 98 THR CA C 98 63.381 61.966 1.415 2
1 1106 . 1 1 A 98 98 THR HA H 98 4.487 4.753 -0.266 2
1 1107 . 1 1 A 98 98 THR CB C 98 69.599 70.005 -0.406 2
1 1113 . 1 1 A 98 98 THR C C 98 173.058 174.051 -0.993 2
1 1114 . 1 1 A 99 99 VAL N N 99 128.111 126.136 1.975 2
1 1115 . 1 1 A 99 99 VAL H H 99 8.240 8.706 -0.466 2
1 1116 . 1 1 A 99 99 VAL CA C 99 61.670 60.605 1.065 2
1 1117 . 1 1 A 99 99 VAL HA H 99 4.271 4.798 -0.527 2
1 1118 . 1 1 A 99 99 VAL CB C 99 32.962 34.018 -1.056 2
1 1128 . 1 1 A 99 99 VAL C C 99 176.689 175.391 1.298 2
1 1129 . 1 1 A 100 100 GLY N N 100 118.412 112.793 5.619 2
1 1130 . 1 1 A 100 100 GLY H H 100 8.946 8.370 0.576 2
1 1131 . 1 1 A 100 100 GLY CA C 100 44.504 44.346 0.158 2
1 1132 . 1 1 A 100 100 GLY HA3 H 100 4.506 4.290 0.217 2
1 1133 . 1 1 A 100 100 GLY C C 100 170.474 172.236 -1.762 2
1 1134 . 1 1 A 100 100 GLY HA2 H 100 4.136 4.286 -0.150 2
1 1135 . 1 1 A 101 101 PRO CA C 101 62.588 62.598 -0.010 2
1 1136 . 1 1 A 101 101 PRO HA H 101 4.525 4.594 -0.069 2
1 1137 . 1 1 A 101 101 PRO CB C 101 32.641 32.749 -0.108 2
1 1143 . 1 1 A 101 101 PRO C C 101 176.696 176.011 0.685 2
1 1147 . 1 1 A 102 102 LEU N N 102 121.326 121.438 -0.112 2
1 1148 . 1 1 A 102 102 LEU H H 102 8.374 8.382 -0.008 2
1 1149 . 1 1 A 102 102 LEU CA C 102 55.855 54.176 1.679 2
1 1150 . 1 1 A 102 102 LEU HA H 102 4.221 4.675 -0.454 2
1 1151 . 1 1 A 102 102 LEU CB C 102 42.652 43.469 -0.817 2
1 1163 . 1 1 A 102 102 LEU C C 102 178.005 176.398 1.607 2
1 1165 . 1 1 A 103 103 GLY N N 103 110.870 110.361 0.509 2
1 1166 . 1 1 A 103 103 GLY H H 103 8.481 8.522 -0.041 2
1 1167 . 1 1 A 103 103 GLY CA C 103 45.208 45.350 -0.142 2
1 1168 . 1 1 A 103 103 GLY HA3 H 103 3.927 4.108 -0.181 2
1 1169 . 1 1 A 103 103 GLY C C 103 174.126 173.152 0.974 2
1 1170 . 1 1 A 103 103 GLY HA2 H 103 3.991 4.107 -0.116 2
1 1171 . 1 1 A 104 104 GLU N N 104 120.771 122.706 -1.935 2
1 1172 . 1 1 A 104 104 GLU H H 104 8.308 8.522 -0.214 2
1 1173 . 1 1 A 104 104 GLU CA C 104 56.713 56.138 0.575 2
1 1174 . 1 1 A 104 104 GLU HA H 104 4.318 4.598 -0.280 2
1 1175 . 1 1 A 104 104 GLU CB C 104 30.470 31.268 -0.798 2
1 1179 . 1 1 A 104 104 GLU C C 104 177.052 176.228 0.824 2
1 1182 . 1 1 A 105 105 GLY N N 105 110.589 111.276 -0.687 2
1 1183 . 1 1 A 105 105 GLY H H 105 8.546 8.486 0.060 2
1 1184 . 1 1 A 105 105 GLY CA C 105 45.256 45.656 -0.400 2
1 1185 . 1 1 A 105 105 GLY HA3 H 105 3.925 4.009 -0.084 2
1 1186 . 1 1 A 105 105 GLY C C 105 173.795 174.263 -0.468 2
1 1187 . 1 1 A 105 105 GLY HA2 H 105 3.992 4.009 -0.017 2
stop_
save_