data_16113_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16113
_Entry.PDB_ID 2HFI
_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 6 6 LEU HA H 6 4.230 4.073 0.157 1
1 11 . 1 1 1 A 6 6 LEU CA C 6 58.000 57.862 0.138 1
1 12 . 1 1 1 A 6 6 LEU CB C 6 40.900 41.520 -0.620 1
1 16 . 1 1 1 A 7 7 LEU H H 7 8.970 7.959 1.011 1
1 17 . 1 1 1 A 7 7 LEU HA H 7 3.970 4.137 -0.167 1
1 27 . 1 1 1 A 7 7 LEU CA C 7 58.500 58.199 0.301 1
1 28 . 1 1 1 A 7 7 LEU CB C 7 41.000 41.632 -0.632 1
1 32 . 1 1 1 A 7 7 LEU N N 7 124.300 120.206 4.094 1
1 33 . 1 1 1 A 8 8 GLU H H 8 7.910 8.862 -0.952 1
1 34 . 1 1 1 A 8 8 GLU HA H 8 4.040 3.959 0.081 1
1 39 . 1 1 1 A 8 8 GLU CA C 8 59.500 59.578 -0.078 1
1 40 . 1 1 1 A 8 8 GLU CB C 8 29.200 28.712 0.488 1
1 42 . 1 1 1 A 8 8 GLU N N 8 119.000 119.032 -0.032 1
1 43 . 1 1 1 A 9 9 MET H H 9 8.520 8.341 0.179 1
1 44 . 1 1 1 A 9 9 MET HA H 9 4.030 4.242 -0.212 1
1 52 . 1 1 1 A 9 9 MET CA C 9 59.900 58.465 1.435 1
1 53 . 1 1 1 A 9 9 MET CB C 9 36.000 32.886 3.114 1
1 56 . 1 1 1 A 9 9 MET N N 9 117.500 118.715 -1.215 1
1 57 . 1 1 1 A 10 10 THR H H 10 8.470 7.563 0.907 1
1 58 . 1 1 1 A 10 10 THR HA H 10 3.550 3.725 -0.175 1
1 64 . 1 1 1 A 10 10 THR CA C 10 67.200 67.600 -0.400 1
1 65 . 1 1 1 A 10 10 THR CB C 10 68.500 68.276 0.224 1
1 67 . 1 1 1 A 10 10 THR N N 10 116.600 115.244 1.356 1
1 68 . 1 1 1 A 11 11 GLU H H 11 8.500 8.925 -0.425 1
1 69 . 1 1 1 A 11 11 GLU HA H 11 3.910 3.914 -0.004 1
1 74 . 1 1 1 A 11 11 GLU CA C 11 59.400 60.053 -0.653 1
1 75 . 1 1 1 A 11 11 GLU CB C 11 29.200 29.149 0.051 1
1 77 . 1 1 1 A 11 11 GLU N N 11 119.400 119.682 -0.282 1
1 78 . 1 1 1 A 12 12 GLN H H 12 8.140 8.165 -0.025 1
1 79 . 1 1 1 A 12 12 GLN HA H 12 4.100 4.074 0.026 1
1 86 . 1 1 1 A 12 12 GLN CA C 12 59.000 58.658 0.342 1
1 87 . 1 1 1 A 12 12 GLN CB C 12 27.800 28.478 -0.678 1
1 89 . 1 1 1 A 12 12 GLN N N 12 120.400 119.953 0.447 1
1 91 . 1 1 1 A 13 13 MET H H 13 8.120 8.044 0.076 1
1 92 . 1 1 1 A 13 13 MET HA H 13 3.710 4.067 -0.357 1
1 100 . 1 1 1 A 13 13 MET CA C 13 59.600 58.678 0.922 1
1 101 . 1 1 1 A 13 13 MET CB C 13 33.300 31.872 1.428 1
1 104 . 1 1 1 A 13 13 MET N N 13 118.500 117.729 0.771 1
1 105 . 1 1 1 A 14 14 ILE H H 14 8.040 8.132 -0.092 1
1 106 . 1 1 1 A 14 14 ILE HA H 14 3.270 3.565 -0.295 1
1 116 . 1 1 1 A 14 14 ILE CA C 14 65.700 65.144 0.556 1
1 117 . 1 1 1 A 14 14 ILE CB C 14 38.000 37.684 0.316 1
1 121 . 1 1 1 A 14 14 ILE N N 14 119.400 119.704 -0.304 1
1 122 . 1 1 1 A 15 15 GLU H H 15 7.700 7.915 -0.215 1
1 123 . 1 1 1 A 15 15 GLU HA H 15 4.110 4.027 0.083 1
1 128 . 1 1 1 A 15 15 GLU CA C 15 59.300 59.202 0.098 1
1 129 . 1 1 1 A 15 15 GLU CB C 15 29.200 29.700 -0.500 1
1 131 . 1 1 1 A 15 15 GLU N N 15 119.000 121.630 -2.630 1
1 132 . 1 1 1 A 16 16 VAL H H 16 8.410 8.285 0.125 1
1 133 . 1 1 1 A 16 16 VAL HA H 16 3.530 3.684 -0.154 1
1 141 . 1 1 1 A 16 16 VAL CA C 16 66.600 66.424 0.176 1
1 142 . 1 1 1 A 16 16 VAL CB C 16 31.900 31.773 0.127 1
1 145 . 1 1 1 A 16 16 VAL N N 16 119.500 120.034 -0.534 1
1 146 . 1 1 1 A 17 17 ALA H H 17 8.600 8.400 0.200 1
1 147 . 1 1 1 A 17 17 ALA HA H 17 4.080 3.840 0.240 1
1 151 . 1 1 1 A 17 17 ALA CA C 17 54.700 55.886 -1.186 1
1 152 . 1 1 1 A 17 17 ALA CB C 17 17.700 18.277 -0.577 1
1 153 . 1 1 1 A 17 17 ALA N N 17 123.100 122.437 0.663 1
1 154 . 1 1 1 A 18 18 GLU H H 18 8.850 8.099 0.751 1
1 155 . 1 1 1 A 18 18 GLU HA H 18 3.990 3.954 0.036 1
1 160 . 1 1 1 A 18 18 GLU CA C 18 59.500 59.449 0.051 1
1 161 . 1 1 1 A 18 18 GLU CB C 18 29.700 29.249 0.451 1
1 163 . 1 1 1 A 18 18 GLU N N 18 117.900 117.804 0.096 1
1 164 . 1 1 1 A 19 19 LYS H H 19 8.750 8.307 0.443 1
1 165 . 1 1 1 A 19 19 LYS HA H 19 4.150 4.091 0.059 1
1 174 . 1 1 1 A 19 19 LYS CA C 19 58.700 59.100 -0.400 1
1 175 . 1 1 1 A 19 19 LYS CB C 19 31.900 32.231 -0.331 1
1 179 . 1 1 1 A 19 19 LYS N N 19 119.200 120.139 -0.939 1
1 180 . 1 1 1 A 20 20 GLY H H 20 8.640 8.583 0.057 1
1 181 . 1 1 1 A 20 20 GLY HA2 H 20 3.790 3.794 -0.004 1
1 182 . 1 1 1 A 20 20 GLY HA3 H 20 3.500 3.842 -0.342 1
1 183 . 1 1 1 A 20 20 GLY CA C 20 46.400 47.126 -0.726 1
1 184 . 1 1 1 A 20 20 GLY N N 20 110.300 108.585 1.715 1
1 185 . 1 1 1 A 21 21 ALA H H 21 8.550 8.086 0.464 1
1 186 . 1 1 1 A 21 21 ALA HA H 21 4.490 4.261 0.229 1
1 190 . 1 1 1 A 21 21 ALA CA C 21 55.100 54.678 0.422 1
1 191 . 1 1 1 A 21 21 ALA CB C 21 17.300 18.771 -1.471 1
1 192 . 1 1 1 A 21 21 ALA N N 21 125.300 124.751 0.549 1
1 193 . 1 1 1 A 22 22 ASP H H 22 7.660 8.646 -0.986 1
1 194 . 1 1 1 A 22 22 ASP HA H 22 4.460 4.328 0.132 1
1 197 . 1 1 1 A 22 22 ASP CA C 22 56.900 57.355 -0.455 1
1 198 . 1 1 1 A 22 22 ASP CB C 22 40.500 40.957 -0.457 1
1 199 . 1 1 1 A 22 22 ASP N N 22 119.000 118.107 0.893 1
1 200 . 1 1 1 A 23 23 ARG H H 23 8.110 8.390 -0.280 1
1 201 . 1 1 1 A 23 23 ARG HA H 23 4.000 3.906 0.094 1
1 208 . 1 1 1 A 23 23 ARG CA C 23 59.200 59.078 0.122 1
1 209 . 1 1 1 A 23 23 ARG CB C 23 30.700 29.759 0.941 1
1 212 . 1 1 1 A 23 23 ARG N N 23 121.800 119.714 2.086 1
1 213 . 1 1 1 A 24 24 TYR H H 24 8.460 8.074 0.386 1
1 214 . 1 1 1 A 24 24 TYR HA H 24 3.780 4.053 -0.273 1
1 221 . 1 1 1 A 24 24 TYR CA C 24 60.900 60.834 0.066 1
1 222 . 1 1 1 A 24 24 TYR CB C 24 39.400 38.391 1.009 1
1 225 . 1 1 1 A 24 24 TYR N N 24 120.400 120.477 -0.077 1
1 226 . 1 1 1 A 25 25 GLN H H 25 7.540 8.364 -0.824 1
1 227 . 1 1 1 A 25 25 GLN HA H 25 3.750 3.941 -0.191 1
1 232 . 1 1 1 A 25 25 GLN CA C 25 57.800 58.886 -1.086 1
1 233 . 1 1 1 A 25 25 GLN CB C 25 28.400 28.474 -0.074 1
1 235 . 1 1 1 A 25 25 GLN N N 25 117.500 118.592 -1.092 1
1 236 . 1 1 1 A 26 26 GLU H H 26 7.980 7.879 0.101 1
1 237 . 1 1 1 A 26 26 GLU HA H 26 4.010 4.021 -0.011 1
1 242 . 1 1 1 A 26 26 GLU CA C 26 57.900 59.348 -1.448 1
1 243 . 1 1 1 A 26 26 GLU CB C 26 29.700 29.228 0.472 1
1 245 . 1 1 1 A 26 26 GLU N N 26 117.900 119.082 -1.182 1
1 246 . 1 1 1 A 32 32 HIS HA H 32 4.620 5.541 -0.921 1
1 249 . 1 1 1 A 32 32 HIS CA C 32 56.900 54.270 2.630 1
1 250 . 1 1 1 A 32 32 HIS CB C 32 64.000 31.559 32.441 1
1 251 . 1 1 1 A 33 33 SER HA H 33 4.610 5.344 -0.734 1
1 254 . 1 1 1 A 33 33 SER CA C 33 56.900 57.028 -0.128 1
1 255 . 1 1 1 A 33 33 SER CB C 33 64.000 64.915 -0.915 1
1 256 . 1 1 1 A 34 34 TYR HA H 34 4.630 5.482 -0.852 1
1 263 . 1 1 1 A 34 34 TYR CA C 34 56.900 55.812 1.088 1
1 264 . 1 1 1 A 34 34 TYR CB C 34 40.700 41.912 -1.212 1
1 267 . 1 1 1 A 36 36 PHE HA H 36 3.910 4.870 -0.960 1
1 275 . 1 1 1 A 36 36 PHE CA C 36 62.000 56.419 5.581 1
1 276 . 1 1 1 A 36 36 PHE CB C 36 39.200 38.253 0.947 1
1 280 . 1 1 1 A 37 37 PHE H H 37 8.090 8.422 -0.332 1
1 281 . 1 1 1 A 37 37 PHE HA H 37 3.980 4.558 -0.578 1
1 289 . 1 1 1 A 37 37 PHE CA C 37 61.600 58.739 2.861 1
1 290 . 1 1 1 A 37 37 PHE CB C 37 38.600 40.664 -2.064 1
1 294 . 1 1 1 A 37 37 PHE N N 37 116.200 125.424 -9.224 1
1 295 . 1 1 1 A 38 38 GLU H H 38 9.000 8.288 0.712 1
1 296 . 1 1 1 A 38 38 GLU HA H 38 4.130 3.934 0.196 1
1 301 . 1 1 1 A 38 38 GLU CA C 38 57.700 59.075 -1.375 1
1 302 . 1 1 1 A 38 38 GLU CB C 38 30.600 29.660 0.940 1
1 304 . 1 1 1 A 38 38 GLU N N 38 116.000 119.042 -3.042 1
1 305 . 1 1 1 A 39 39 THR H H 39 7.390 7.712 -0.322 1
1 306 . 1 1 1 A 39 39 THR HA H 39 4.280 4.003 0.277 1
1 311 . 1 1 1 A 39 39 THR CA C 39 64.100 64.369 -0.269 1
1 312 . 1 1 1 A 39 39 THR CB C 39 70.000 68.846 1.154 1
1 314 . 1 1 1 A 39 39 THR N N 39 110.400 113.654 -3.254 1
1 315 . 1 1 1 A 40 40 ILE H H 40 7.250 7.597 -0.347 1
1 316 . 1 1 1 A 40 40 ILE HA H 40 2.570 3.699 -1.129 1
1 326 . 1 1 1 A 40 40 ILE CA C 40 65.800 63.162 2.638 1
1 327 . 1 1 1 A 40 40 ILE CB C 40 37.300 37.792 -0.492 1
1 331 . 1 1 1 A 40 40 ILE N N 40 120.900 120.122 0.778 1
1 332 . 1 1 1 A 41 41 LYS H H 41 8.400 7.516 0.884 1
1 333 . 1 1 1 A 41 41 LYS HA H 41 3.650 3.981 -0.331 1
1 336 . 1 1 1 A 41 41 LYS CA C 41 59.000 61.262 -2.262 1
1 337 . 1 1 1 A 41 41 LYS CB C 41 29.700 29.684 0.016 1
1 338 . 1 1 1 A 41 41 LYS N N 41 118.800 123.529 -4.729 1
1 339 . 1 1 1 A 42 42 PRO HA H 42 4.280 4.309 -0.029 1
1 346 . 1 1 1 A 42 42 PRO CA C 42 65.300 65.719 -0.419 1
1 347 . 1 1 1 A 42 42 PRO CB C 42 30.200 30.454 -0.254 1
1 350 . 1 1 1 A 43 43 ALA H H 43 6.790 8.084 -1.294 1
1 351 . 1 1 1 A 43 43 ALA HA H 43 4.190 3.970 0.220 1
1 355 . 1 1 1 A 43 43 ALA CA C 43 54.900 55.241 -0.341 1
1 356 . 1 1 1 A 43 43 ALA CB C 43 18.000 18.259 -0.259 1
1 357 . 1 1 1 A 43 43 ALA N N 43 119.500 118.968 0.532 1
1 358 . 1 1 1 A 44 44 VAL H H 44 8.380 7.695 0.685 1
1 359 . 1 1 1 A 44 44 VAL HA H 44 3.460 3.374 0.086 1
1 367 . 1 1 1 A 44 44 VAL CA C 44 67.200 66.746 0.454 1
1 368 . 1 1 1 A 44 44 VAL CB C 44 31.500 31.348 0.152 1
1 371 . 1 1 1 A 44 44 VAL N N 44 120.500 117.952 2.548 1
1 372 . 1 1 1 A 45 45 GLU H H 45 8.410 8.437 -0.027 1
1 373 . 1 1 1 A 45 45 GLU HA H 45 4.060 3.895 0.165 1
1 378 . 1 1 1 A 45 45 GLU CA C 45 59.600 59.924 -0.324 1
1 379 . 1 1 1 A 45 45 GLU CB C 45 29.300 29.648 -0.348 1
1 381 . 1 1 1 A 45 45 GLU N N 45 118.400 118.456 -0.056 1
1 382 . 1 1 1 A 46 46 GLU H H 46 8.390 8.271 0.119 1
1 383 . 1 1 1 A 46 46 GLU HA H 46 4.200 4.072 0.128 1
1 388 . 1 1 1 A 46 46 GLU CA C 46 58.900 59.055 -0.155 1
1 389 . 1 1 1 A 46 46 GLU CB C 46 29.300 29.196 0.104 1
1 391 . 1 1 1 A 46 46 GLU N N 46 118.800 120.694 -1.894 1
1 392 . 1 1 1 A 47 47 ASN H H 47 7.700 8.033 -0.333 1
1 393 . 1 1 1 A 47 47 ASN HA H 47 4.900 4.650 0.250 1
1 398 . 1 1 1 A 47 47 ASN CA C 47 57.100 56.145 0.955 1
1 399 . 1 1 1 A 47 47 ASN CB C 47 39.000 38.023 0.977 1
1 400 . 1 1 1 A 47 47 ASN N N 47 118.000 118.870 -0.870 1
1 402 . 1 1 1 A 48 48 ASP H H 48 8.810 8.678 0.132 1
1 403 . 1 1 1 A 48 48 ASP HA H 48 4.520 4.345 0.175 1
1 406 . 1 1 1 A 48 48 ASP CA C 48 57.800 57.816 -0.016 1
1 407 . 1 1 1 A 48 48 ASP CB C 48 41.700 42.029 -0.329 1
1 408 . 1 1 1 A 48 48 ASP N N 48 124.000 118.787 5.213 1
1 409 . 1 1 1 A 49 49 GLU H H 49 7.310 8.366 -1.056 1
1 410 . 1 1 1 A 49 49 GLU HA H 49 4.070 4.118 -0.048 1
1 415 . 1 1 1 A 49 49 GLU CA C 49 59.500 59.167 0.333 1
1 416 . 1 1 1 A 49 49 GLU CB C 49 29.300 30.009 -0.709 1
1 418 . 1 1 1 A 49 49 GLU N N 49 117.600 118.319 -0.719 1
1 419 . 1 1 1 A 50 50 LEU H H 50 7.590 8.496 -0.906 1
1 420 . 1 1 1 A 50 50 LEU HA H 50 4.160 4.140 0.020 1
1 430 . 1 1 1 A 50 50 LEU CA C 50 58.000 58.224 -0.224 1
1 431 . 1 1 1 A 50 50 LEU CB C 50 41.800 41.763 0.037 1
1 435 . 1 1 1 A 50 50 LEU N N 50 119.500 121.961 -2.461 1
1 436 . 1 1 1 A 51 51 ALA H H 51 8.620 8.723 -0.103 1
1 437 . 1 1 1 A 51 51 ALA HA H 51 4.210 4.032 0.178 1
1 441 . 1 1 1 A 51 51 ALA CA C 51 54.900 55.521 -0.621 1
1 442 . 1 1 1 A 51 51 ALA CB C 51 18.600 17.969 0.631 1
1 443 . 1 1 1 A 51 51 ALA N N 51 118.900 120.815 -1.915 1
1 444 . 1 1 1 A 52 52 ALA H H 52 8.410 7.947 0.463 1
1 445 . 1 1 1 A 52 52 ALA HA H 52 4.210 4.091 0.119 1
1 449 . 1 1 1 A 52 52 ALA CA C 52 55.100 55.244 -0.144 1
1 450 . 1 1 1 A 52 52 ALA CB C 52 18.400 18.361 0.039 1
1 451 . 1 1 1 A 52 52 ALA N N 52 119.400 120.274 -0.874 1
1 452 . 1 1 1 A 53 53 ARG H H 53 8.070 8.010 0.060 1
1 453 . 1 1 1 A 53 53 ARG HA H 53 4.130 4.094 0.036 1
1 460 . 1 1 1 A 53 53 ARG CA C 53 59.100 58.829 0.271 1
1 461 . 1 1 1 A 53 53 ARG CB C 53 30.900 30.124 0.776 1
1 464 . 1 1 1 A 53 53 ARG N N 53 119.500 119.282 0.218 1
1 465 . 1 1 1 A 54 54 TRP H H 54 9.270 8.537 0.733 1
1 466 . 1 1 1 A 54 54 TRP HA H 54 3.830 4.270 -0.440 1
1 475 . 1 1 1 A 54 54 TRP CA C 54 62.400 61.388 1.012 1
1 476 . 1 1 1 A 54 54 TRP CB C 54 29.200 29.235 -0.035 1
1 482 . 1 1 1 A 54 54 TRP N N 54 124.000 121.990 2.010 1
1 484 . 1 1 1 A 55 55 ALA H H 55 8.810 8.470 0.340 1
1 485 . 1 1 1 A 55 55 ALA HA H 55 3.220 3.890 -0.670 1
1 489 . 1 1 1 A 55 55 ALA CA C 55 55.100 55.320 -0.220 1
1 490 . 1 1 1 A 55 55 ALA CB C 55 17.500 18.024 -0.524 1
1 491 . 1 1 1 A 55 55 ALA N N 55 120.800 121.416 -0.616 1
1 492 . 1 1 1 A 56 56 GLU H H 56 7.460 7.848 -0.388 1
1 493 . 1 1 1 A 56 56 GLU HA H 56 3.880 4.003 -0.123 1
1 498 . 1 1 1 A 56 56 GLU CA C 56 59.200 59.276 -0.076 1
1 499 . 1 1 1 A 56 56 GLU CB C 56 29.500 29.311 0.189 1
1 501 . 1 1 1 A 56 56 GLU N N 56 114.800 118.831 -4.031 1
1 502 . 1 1 1 A 57 57 GLY H H 57 7.650 8.132 -0.482 1
1 503 . 1 1 1 A 57 57 GLY HA2 H 57 3.490 3.752 -0.262 1
1 504 . 1 1 1 A 57 57 GLY HA3 H 57 3.850 3.789 0.061 1
1 505 . 1 1 1 A 57 57 GLY CA C 57 47.100 47.083 0.017 1
1 506 . 1 1 1 A 57 57 GLY N N 57 106.000 107.847 -1.847 1
1 507 . 1 1 1 A 58 58 ALA H H 58 8.950 8.058 0.892 1
1 508 . 1 1 1 A 58 58 ALA HA H 58 3.640 3.691 -0.051 1
1 512 . 1 1 1 A 58 58 ALA CA C 58 54.500 54.416 0.084 1
1 513 . 1 1 1 A 58 58 ALA CB C 58 16.700 18.336 -1.636 1
1 514 . 1 1 1 A 58 58 ALA N N 58 127.400 124.681 2.719 1
1 515 . 1 1 1 A 59 59 LEU H H 59 8.370 8.379 -0.009 1
1 516 . 1 1 1 A 59 59 LEU HA H 59 3.920 3.819 0.101 1
1 526 . 1 1 1 A 59 59 LEU CA C 59 57.300 57.686 -0.386 1
1 527 . 1 1 1 A 59 59 LEU CB C 59 40.800 41.251 -0.451 1
1 531 . 1 1 1 A 59 59 LEU N N 59 116.800 118.860 -2.060 1
1 532 . 1 1 1 A 60 60 GLU H H 60 7.310 7.795 -0.485 1
1 533 . 1 1 1 A 60 60 GLU HA H 60 4.030 4.009 0.021 1
1 538 . 1 1 1 A 60 60 GLU CA C 60 58.800 59.059 -0.259 1
1 539 . 1 1 1 A 60 60 GLU CB C 60 28.900 29.432 -0.532 1
1 541 . 1 1 1 A 60 60 GLU N N 60 119.000 120.875 -1.875 1
1 542 . 1 1 1 A 61 61 LEU H H 61 7.700 7.935 -0.235 1
1 543 . 1 1 1 A 61 61 LEU HA H 61 4.000 4.030 -0.030 1
1 553 . 1 1 1 A 61 61 LEU CA C 61 58.100 58.356 -0.256 1
1 554 . 1 1 1 A 61 61 LEU CB C 61 41.400 41.530 -0.130 1
1 558 . 1 1 1 A 61 61 LEU N N 61 120.800 120.673 0.127 1
1 559 . 1 1 1 A 62 62 ILE H H 62 7.510 7.804 -0.294 1
1 560 . 1 1 1 A 62 62 ILE HA H 62 4.040 3.916 0.124 1
1 570 . 1 1 1 A 62 62 ILE CA C 62 63.200 64.034 -0.834 1
1 571 . 1 1 1 A 62 62 ILE CB C 62 37.200 37.412 -0.212 1
1 575 . 1 1 1 A 62 62 ILE N N 62 110.700 114.588 -3.888 1
1 576 . 1 1 1 A 63 63 LYS H H 63 7.520 7.517 0.003 1
1 577 . 1 1 1 A 63 63 LYS HA H 63 4.070 4.003 0.067 1
1 586 . 1 1 1 A 63 63 LYS CA C 63 58.600 59.194 -0.594 1
1 587 . 1 1 1 A 63 63 LYS CB C 63 32.800 32.266 0.534 1
1 590 . 1 1 1 A 63 63 LYS N N 63 121.100 121.269 -0.169 1
1 591 . 1 1 1 A 64 64 VAL H H 64 7.630 7.987 -0.357 1
1 592 . 1 1 1 A 64 64 VAL HA H 64 3.950 3.475 0.475 1
1 600 . 1 1 1 A 64 64 VAL CA C 64 63.900 66.607 -2.707 1
1 601 . 1 1 1 A 64 64 VAL CB C 64 32.400 31.782 0.618 1
1 604 . 1 1 1 A 64 64 VAL N N 64 115.200 119.936 -4.736 1
1 605 . 1 1 1 A 65 65 ARG H H 65 7.980 8.151 -0.171 1
1 606 . 1 1 1 A 65 65 ARG HA H 65 4.390 4.300 0.090 1
1 613 . 1 1 1 A 65 65 ARG CA C 65 55.200 57.499 -2.299 1
1 614 . 1 1 1 A 65 65 ARG CB C 65 31.500 31.125 0.375 1
1 617 . 1 1 1 A 65 65 ARG N N 65 118.300 120.481 -2.181 1
1 618 . 1 1 1 A 66 66 ARG HA H 66 4.340 4.699 -0.359 1
1 621 . 1 1 1 A 66 66 ARG CA C 66 54.900 54.263 0.637 1
1 622 . 1 1 1 A 66 66 ARG CB C 66 29.200 33.111 -3.911 1
1 629 . 1 1 1 A 68 68 LYS HA H 68 4.100 4.246 -0.146 1
1 638 . 1 1 1 A 68 68 LYS CA C 68 57.900 59.083 -1.183 1
1 639 . 1 1 1 A 68 68 LYS CB C 68 34.100 33.085 1.015 1
1 643 . 1 1 1 A 69 69 TYR HA H 69 4.760 4.586 0.174 1
1 650 . 1 1 1 A 69 69 TYR CA C 69 57.800 59.318 -1.518 1
1 651 . 1 1 1 A 69 69 TYR CB C 69 39.600 40.039 -0.439 1
1 654 . 1 1 1 A 70 70 VAL H H 70 6.950 8.083 -1.133 1
1 655 . 1 1 1 A 70 70 VAL HA H 70 4.720 4.136 0.584 1
1 663 . 1 1 1 A 70 70 VAL CA C 70 60.000 61.973 -1.973 1
1 664 . 1 1 1 A 70 70 VAL CB C 70 34.500 32.566 1.934 1
1 667 . 1 1 1 A 70 70 VAL N N 70 115.400 120.483 -5.083 1
1 668 . 1 1 1 A 71 71 HIS H H 71 7.870 8.644 -0.774 1
1 669 . 1 1 1 A 71 71 HIS HA H 71 4.910 4.950 -0.040 1
1 673 . 1 1 1 A 71 71 HIS CA C 71 54.100 54.187 -0.087 1
1 674 . 1 1 1 A 71 71 HIS CB C 71 33.700 32.119 1.581 1
1 676 . 1 1 1 A 71 71 HIS N N 71 120.600 127.948 -7.348 1
1 677 . 1 1 1 A 72 72 LYS H H 72 8.400 8.712 -0.312 1
1 678 . 1 1 1 A 72 72 LYS HA H 72 3.680 3.791 -0.111 1
1 687 . 1 1 1 A 72 72 LYS CA C 72 60.600 60.307 0.293 1
1 688 . 1 1 1 A 72 72 LYS CB C 72 32.800 32.067 0.733 1
1 692 . 1 1 1 A 73 73 GLU H H 73 9.680 8.374 1.306 1
1 693 . 1 1 1 A 73 73 GLU HA H 73 4.170 4.104 0.066 1
1 698 . 1 1 1 A 73 73 GLU CA C 73 60.000 59.885 0.115 1
1 699 . 1 1 1 A 73 73 GLU CB C 73 28.300 29.247 -0.947 1
1 701 . 1 1 1 A 73 73 GLU N N 73 117.300 118.914 -1.614 1
1 702 . 1 1 1 A 74 74 GLN H H 74 7.360 8.008 -0.648 1
1 703 . 1 1 1 A 74 74 GLN HA H 74 4.180 4.122 0.058 1
1 710 . 1 1 1 A 74 74 GLN CA C 74 58.300 58.800 -0.500 1
1 711 . 1 1 1 A 74 74 GLN CB C 74 28.300 28.600 -0.300 1
1 713 . 1 1 1 A 74 74 GLN N N 74 117.700 118.632 -0.932 1
1 715 . 1 1 1 A 75 75 ILE H H 75 7.530 8.104 -0.574 1
1 716 . 1 1 1 A 75 75 ILE HA H 75 3.780 3.859 -0.079 1
1 726 . 1 1 1 A 75 75 ILE CA C 75 64.100 65.700 -1.600 1
1 727 . 1 1 1 A 75 75 ILE CB C 75 36.800 37.689 -0.889 1
1 731 . 1 1 1 A 75 75 ILE N N 75 120.600 121.338 -0.738 1
1 732 . 1 1 1 A 76 76 GLU H H 76 8.340 8.208 0.132 1
1 733 . 1 1 1 A 76 76 GLU HA H 76 3.970 4.105 -0.135 1
1 738 . 1 1 1 A 76 76 GLU CA C 76 59.200 59.893 -0.693 1
1 739 . 1 1 1 A 76 76 GLU CB C 76 29.700 29.001 0.699 1
1 741 . 1 1 1 A 76 76 GLU N N 76 117.500 120.555 -3.055 1
1 742 . 1 1 1 A 77 77 ALA H H 77 7.390 8.226 -0.836 1
1 743 . 1 1 1 A 77 77 ALA HA H 77 4.370 4.110 0.260 1
1 747 . 1 1 1 A 77 77 ALA CA C 77 53.400 55.093 -1.693 1
1 748 . 1 1 1 A 77 77 ALA CB C 77 18.800 18.214 0.586 1
1 749 . 1 1 1 A 77 77 ALA N N 77 118.600 123.203 -4.603 1
1 750 . 1 1 1 A 78 78 VAL H H 78 7.620 8.613 -0.993 1
1 751 . 1 1 1 A 78 78 VAL HA H 78 3.720 3.485 0.235 1
1 759 . 1 1 1 A 78 78 VAL CA C 78 66.700 67.130 -0.430 1
1 760 . 1 1 1 A 78 78 VAL CB C 78 31.500 31.516 -0.016 1
1 763 . 1 1 1 A 78 78 VAL N N 78 116.800 118.739 -1.939 1
1 764 . 1 1 1 A 79 79 LYS H H 79 8.570 7.978 0.592 1
1 765 . 1 1 1 A 79 79 LYS HA H 79 3.780 4.029 -0.249 1
1 774 . 1 1 1 A 79 79 LYS CA C 79 61.800 59.967 1.833 1
1 775 . 1 1 1 A 79 79 LYS CB C 79 31.500 32.439 -0.939 1
1 779 . 1 1 1 A 79 79 LYS N N 79 119.500 120.357 -0.857 1
1 780 . 1 1 1 A 80 80 ASP H H 80 8.350 7.693 0.657 1
1 781 . 1 1 1 A 80 80 ASP HA H 80 4.490 4.419 0.071 1
1 784 . 1 1 1 A 80 80 ASP CA C 80 57.300 57.397 -0.097 1
1 785 . 1 1 1 A 80 80 ASP CB C 80 40.000 41.172 -1.172 1
1 786 . 1 1 1 A 80 80 ASP N N 80 115.500 119.796 -4.296 1
1 787 . 1 1 1 A 81 81 ASN H H 81 7.690 8.886 -1.196 1
1 788 . 1 1 1 A 81 81 ASN HA H 81 4.540 4.516 0.024 1
1 793 . 1 1 1 A 81 81 ASN CA C 81 55.500 56.410 -0.910 1
1 794 . 1 1 1 A 81 81 ASN CB C 81 38.600 37.804 0.796 1
1 795 . 1 1 1 A 81 81 ASN N N 81 118.300 117.456 0.844 1
1 797 . 1 1 1 A 82 82 PHE H H 82 9.620 8.541 1.079 1
1 798 . 1 1 1 A 82 82 PHE HA H 82 4.060 4.129 -0.069 1
1 806 . 1 1 1 A 82 82 PHE CA C 82 60.900 61.248 -0.348 1
1 807 . 1 1 1 A 82 82 PHE CB C 82 39.500 39.478 0.022 1
1 811 . 1 1 1 A 82 82 PHE N N 82 121.400 123.018 -1.618 1
1 812 . 1 1 1 A 83 83 LEU H H 83 8.210 8.469 -0.259 1
1 813 . 1 1 1 A 83 83 LEU HA H 83 3.900 3.895 0.005 1
1 823 . 1 1 1 A 83 83 LEU CA C 83 57.000 58.016 -1.016 1
1 824 . 1 1 1 A 83 83 LEU CB C 83 40.400 41.510 -1.110 1
1 828 . 1 1 1 A 83 83 LEU N N 83 117.400 119.256 -1.856 1
1 829 . 1 1 1 A 84 84 GLU H H 84 7.660 7.777 -0.117 1
1 830 . 1 1 1 A 84 84 GLU HA H 84 4.150 4.074 0.076 1
1 835 . 1 1 1 A 84 84 GLU CA C 84 59.500 59.371 0.129 1
1 836 . 1 1 1 A 84 84 GLU CB C 84 28.700 29.306 -0.606 1
1 838 . 1 1 1 A 84 84 GLU N N 84 121.500 118.244 3.256 1
1 839 . 1 1 1 A 85 85 LEU H H 85 8.100 8.168 -0.068 1
1 840 . 1 1 1 A 85 85 LEU HA H 85 3.600 4.027 -0.427 1
1 850 . 1 1 1 A 85 85 LEU CA C 85 59.300 58.337 0.963 1
1 851 . 1 1 1 A 85 85 LEU CB C 85 41.800 41.620 0.180 1
1 855 . 1 1 1 A 85 85 LEU N N 85 121.700 122.526 -0.826 1
1 856 . 1 1 1 A 86 86 VAL H H 86 8.220 7.980 0.240 1
1 857 . 1 1 1 A 86 86 VAL HA H 86 3.100 3.535 -0.435 1
1 865 . 1 1 1 A 86 86 VAL CA C 86 67.200 66.999 0.201 1
1 866 . 1 1 1 A 86 86 VAL CB C 86 31.500 31.222 0.278 1
1 869 . 1 1 1 A 86 86 VAL N N 86 118.400 119.142 -0.742 1
1 870 . 1 1 1 A 87 87 LEU H H 87 8.450 8.092 0.358 1
1 871 . 1 1 1 A 87 87 LEU HA H 87 3.960 4.092 -0.132 1
1 881 . 1 1 1 A 87 87 LEU CA C 87 59.100 58.692 0.408 1
1 882 . 1 1 1 A 87 87 LEU CB C 87 42.300 41.908 0.392 1
1 886 . 1 1 1 A 87 87 LEU N N 87 120.200 120.328 -0.128 1
1 887 . 1 1 1 A 88 88 GLN H H 88 9.350 8.736 0.614 1
1 888 . 1 1 1 A 88 88 GLN HA H 88 4.180 4.117 0.063 1
1 895 . 1 1 1 A 88 88 GLN CA C 88 57.300 58.881 -1.581 1
1 896 . 1 1 1 A 88 88 GLN CB C 88 25.400 28.415 -3.015 1
1 898 . 1 1 1 A 88 88 GLN N N 88 114.900 118.179 -3.279 1
1 900 . 1 1 1 A 89 89 SER H H 89 8.680 7.936 0.744 1
1 901 . 1 1 1 A 89 89 SER HA H 89 4.080 3.839 0.241 1
1 904 . 1 1 1 A 89 89 SER CA C 89 61.900 61.229 0.671 1
1 905 . 1 1 1 A 89 89 SER CB C 89 62.200 62.967 -0.767 1
1 906 . 1 1 1 A 89 89 SER N N 89 117.500 115.623 1.877 1
1 907 . 1 1 1 A 90 90 TYR H H 90 7.330 7.260 0.070 1
1 908 . 1 1 1 A 90 90 TYR HA H 90 4.320 4.240 0.080 1
1 915 . 1 1 1 A 90 90 TYR CA C 90 59.700 60.194 -0.494 1
1 916 . 1 1 1 A 90 90 TYR CB C 90 41.400 39.453 1.947 1
1 919 . 1 1 1 A 90 90 TYR N N 90 116.000 118.962 -2.962 1
1 920 . 1 1 1 A 91 91 VAL H H 91 7.730 7.765 -0.035 1
1 921 . 1 1 1 A 91 91 VAL HA H 91 4.010 3.997 0.013 1
1 929 . 1 1 1 A 91 91 VAL CA C 91 62.600 63.727 -1.127 1
1 930 . 1 1 1 A 91 91 VAL CB C 91 32.700 32.307 0.393 1
1 933 . 1 1 1 A 91 91 VAL N N 91 110.500 114.523 -4.023 1
1 934 . 1 1 1 A 92 92 HIS H H 92 8.600 7.963 0.637 1
1 935 . 1 1 1 A 92 92 HIS HA H 92 4.280 4.182 0.098 1
1 939 . 1 1 1 A 92 92 HIS CA C 92 56.000 57.047 -1.047 1
1 940 . 1 1 1 A 92 92 HIS CB C 92 29.200 26.569 2.631 1
1 942 . 1 1 1 A 92 92 HIS N N 92 114.500 116.065 -1.565 1
1 943 . 1 1 1 A 93 93 HIS H H 93 8.350 7.960 0.390 1
1 944 . 1 1 1 A 93 93 HIS HA H 93 4.780 4.327 0.453 1
1 948 . 1 1 1 A 93 93 HIS CA C 93 57.600 57.888 -0.288 1
1 949 . 1 1 1 A 93 93 HIS CB C 93 31.900 30.596 1.304 1
1 951 . 1 1 1 A 93 93 HIS N N 93 118.200 117.780 0.420 1
1 952 . 1 1 1 A 94 94 ILE H H 94 7.470 7.398 0.072 1
1 953 . 1 1 1 A 94 94 ILE HA H 94 4.370 4.084 0.286 1
1 963 . 1 1 1 A 94 94 ILE CA C 94 60.900 61.051 -0.151 1
1 964 . 1 1 1 A 94 94 ILE CB C 94 39.600 39.285 0.315 1
1 968 . 1 1 1 A 94 94 ILE N N 94 111.400 120.252 -8.852 1
1 969 . 1 1 1 A 95 95 HIS H H 95 6.990 8.916 -1.926 1
1 970 . 1 1 1 A 96 96 LYS HA H 96 4.040 4.374 -0.334 1
1 977 . 1 1 1 A 97 97 LYS HA H 97 4.130 4.065 0.065 1
1 986 . 1 1 1 A 97 97 LYS CA C 97 59.400 59.906 -0.506 1
1 987 . 1 1 1 A 97 97 LYS CB C 97 32.000 32.116 -0.116 1
1 991 . 1 1 1 A 98 98 ARG H H 98 7.150 7.903 -0.753 1
1 992 . 1 1 1 A 98 98 ARG HA H 98 4.150 4.084 0.066 1
1 999 . 1 1 1 A 98 98 ARG CA C 98 57.900 58.558 -0.658 1
1 1000 . 1 1 1 A 98 98 ARG CB C 98 28.600 29.834 -1.234 1
1 1003 . 1 1 1 A 98 98 ARG N N 98 118.500 120.141 -1.641 1
1 1004 . 1 1 1 A 99 99 PHE H H 99 8.260 7.837 0.423 1
1 1005 . 1 1 1 A 99 99 PHE HA H 99 3.450 4.049 -0.599 1
1 1013 . 1 1 1 A 99 99 PHE CA C 99 62.700 61.170 1.530 1
1 1014 . 1 1 1 A 99 99 PHE CB C 99 39.200 39.221 -0.021 1
1 1018 . 1 1 1 A 99 99 PHE N N 99 119.100 121.988 -2.888 1
1 1019 . 1 1 1 A 100 100 LYS H H 100 8.500 7.942 0.558 1
1 1020 . 1 1 1 A 100 100 LYS HA H 100 3.980 3.985 -0.005 1
1 1029 . 1 1 1 A 100 100 LYS CA C 100 59.300 58.674 0.626 1
1 1030 . 1 1 1 A 100 100 LYS CB C 100 31.900 32.090 -0.190 1
1 1034 . 1 1 1 A 100 100 LYS N N 100 121.700 117.844 3.856 1
1 1035 . 1 1 1 A 101 101 ASP H H 101 8.150 8.167 -0.017 1
1 1036 . 1 1 1 A 101 101 ASP HA H 101 4.290 4.374 -0.084 1
1 1039 . 1 1 1 A 101 101 ASP CA C 101 57.300 57.857 -0.557 1
1 1040 . 1 1 1 A 101 101 ASP CB C 101 39.900 41.708 -1.808 1
1 1041 . 1 1 1 A 101 101 ASP N N 101 119.800 119.473 0.327 1
1 1042 . 1 1 1 A 102 102 ILE H H 102 8.220 8.144 0.076 1
1 1043 . 1 1 1 A 102 102 ILE HA H 102 3.690 3.590 0.100 1
1 1053 . 1 1 1 A 102 102 ILE CA C 102 65.000 65.227 -0.227 1
1 1054 . 1 1 1 A 102 102 ILE CB C 102 37.700 37.368 0.332 1
1 1058 . 1 1 1 A 102 102 ILE N N 102 118.800 118.985 -0.185 1
1 1059 . 1 1 1 A 103 103 THR H H 103 7.930 7.857 0.073 1
1 1060 . 1 1 1 A 103 103 THR HA H 103 3.480 3.714 -0.234 1
1 1066 . 1 1 1 A 103 103 THR CA C 103 67.300 66.900 0.400 1
1 1067 . 1 1 1 A 103 103 THR CB C 103 67.700 68.112 -0.412 1
1 1069 . 1 1 1 A 103 103 THR N N 103 117.900 116.844 1.056 1
1 1070 . 1 1 1 A 104 104 GLU H H 104 8.470 8.428 0.042 1
1 1071 . 1 1 1 A 104 104 GLU HA H 104 3.920 3.869 0.051 1
1 1076 . 1 1 1 A 104 104 GLU CA C 104 59.500 59.705 -0.205 1
1 1077 . 1 1 1 A 104 104 GLU CB C 104 29.200 29.372 -0.172 1
1 1079 . 1 1 1 A 104 104 GLU N N 104 118.900 120.376 -1.476 1
1 1080 . 1 1 1 A 105 105 SER H H 105 7.840 8.253 -0.413 1
1 1081 . 1 1 1 A 105 105 SER HA H 105 4.290 4.192 0.098 1
1 1084 . 1 1 1 A 105 105 SER CA C 105 60.900 62.772 -1.872 1
1 1085 . 1 1 1 A 105 105 SER CB C 105 62.700 63.037 -0.337 1
1 1086 . 1 1 1 A 105 105 SER N N 105 114.200 116.546 -2.346 1
1 1087 . 1 1 1 A 106 106 VAL H H 106 8.290 8.341 -0.051 1
1 1088 . 1 1 1 A 106 106 VAL HA H 106 3.690 3.637 0.053 1
1 1096 . 1 1 1 A 106 106 VAL CA C 106 66.300 66.951 -0.651 1
1 1097 . 1 1 1 A 106 106 VAL CB C 106 31.900 31.767 0.133 1
1 1100 . 1 1 1 A 106 106 VAL N N 106 122.100 122.330 -0.230 1
1 1101 . 1 1 1 A 107 107 LEU H H 107 8.560 8.612 -0.052 1
1 1102 . 1 1 1 A 107 107 LEU HA H 107 3.900 3.784 0.116 1
1 1112 . 1 1 1 A 107 107 LEU CA C 107 58.300 57.971 0.329 1
1 1113 . 1 1 1 A 107 107 LEU CB C 107 41.200 41.353 -0.153 1
1 1117 . 1 1 1 A 107 107 LEU N N 107 117.500 118.286 -0.786 1
1 1118 . 1 1 1 A 108 108 TYR H H 108 8.450 8.598 -0.148 1
1 1119 . 1 1 1 A 108 108 TYR HA H 108 4.170 4.024 0.146 1
1 1126 . 1 1 1 A 108 108 TYR CA C 108 61.800 61.784 0.016 1
1 1127 . 1 1 1 A 108 108 TYR CB C 108 37.900 38.509 -0.609 1
1 1130 . 1 1 1 A 108 108 TYR N N 108 119.000 119.206 -0.206 1
1 1131 . 1 1 1 A 109 109 THR H H 109 7.800 8.388 -0.588 1
1 1132 . 1 1 1 A 109 109 THR HA H 109 3.860 3.882 -0.022 1
1 1137 . 1 1 1 A 109 109 THR CA C 109 66.800 67.307 -0.507 1
1 1138 . 1 1 1 A 109 109 THR CB C 109 67.800 68.246 -0.446 1
1 1140 . 1 1 1 A 109 109 THR N N 109 116.500 115.018 1.482 1
1 1141 . 1 1 1 A 110 110 LEU H H 110 8.510 8.639 -0.129 1
1 1142 . 1 1 1 A 110 110 LEU HA H 110 3.900 4.056 -0.156 1
1 1152 . 1 1 1 A 110 110 LEU CA C 110 58.500 57.772 0.728 1
1 1153 . 1 1 1 A 110 110 LEU CB C 110 41.300 41.920 -0.620 1
1 1157 . 1 1 1 A 110 110 LEU N N 110 121.000 120.822 0.178 1
1 1158 . 1 1 1 A 111 111 HIS H H 111 8.440 8.351 0.089 1
1 1159 . 1 1 1 A 111 111 HIS HA H 111 4.000 4.259 -0.259 1
1 1163 . 1 1 1 A 111 111 HIS CA C 111 60.900 60.299 0.601 1
1 1164 . 1 1 1 A 111 111 HIS CB C 111 29.700 29.389 0.311 1
1 1166 . 1 1 1 A 111 111 HIS N N 111 116.300 117.750 -1.450 1
1 1167 . 1 1 1 A 112 112 ALA H H 112 7.920 7.900 0.020 1
1 1168 . 1 1 1 A 112 112 ALA HA H 112 4.130 3.877 0.253 1
1 1172 . 1 1 1 A 112 112 ALA CA C 112 55.000 54.992 0.008 1
1 1173 . 1 1 1 A 112 112 ALA CB C 112 17.600 18.074 -0.474 1
1 1174 . 1 1 1 A 112 112 ALA N N 112 122.900 122.311 0.589 1
1 1175 . 1 1 1 A 113 113 VAL H H 113 8.300 8.061 0.239 1
1 1176 . 1 1 1 A 113 113 VAL HA H 113 3.540 3.400 0.140 1
1 1184 . 1 1 1 A 113 113 VAL CA C 113 67.200 66.883 0.317 1
1 1185 . 1 1 1 A 113 113 VAL CB C 113 31.000 31.616 -0.616 1
1 1188 . 1 1 1 A 113 113 VAL N N 113 119.000 118.648 0.352 1
1 1189 . 1 1 1 A 114 114 LYS H H 114 8.220 8.470 -0.250 1
1 1190 . 1 1 1 A 114 114 LYS HA H 114 3.810 3.952 -0.142 1
1 1199 . 1 1 1 A 114 114 LYS CA C 114 60.800 59.740 1.060 1
1 1200 . 1 1 1 A 114 114 LYS CB C 114 31.500 32.271 -0.771 1
1 1204 . 1 1 1 A 114 114 LYS N N 114 120.600 120.505 0.095 1
1 1205 . 1 1 1 A 115 115 ASP H H 115 8.180 7.701 0.479 1
1 1206 . 1 1 1 A 115 115 ASP HA H 115 4.300 4.227 0.073 1
1 1209 . 1 1 1 A 115 115 ASP CA C 115 56.800 57.453 -0.653 1
1 1210 . 1 1 1 A 115 115 ASP CB C 115 39.600 41.391 -1.791 1
1 1211 . 1 1 1 A 115 115 ASP N N 115 118.800 118.785 0.015 1
1 1212 . 1 1 1 A 116 116 GLU H H 116 7.990 7.943 0.047 1
1 1213 . 1 1 1 A 116 116 GLU HA H 116 4.060 4.073 -0.013 1
1 1218 . 1 1 1 A 116 116 GLU CA C 116 58.400 58.964 -0.564 1
1 1219 . 1 1 1 A 116 116 GLU CB C 116 29.000 29.189 -0.189 1
1 1221 . 1 1 1 A 116 116 GLU N N 116 120.800 117.676 3.124 1
1 1222 . 1 1 1 A 117 117 ILE H H 117 8.370 8.290 0.080 1
1 1223 . 1 1 1 A 117 117 ILE HA H 117 3.610 3.613 -0.003 1
1 1233 . 1 1 1 A 117 117 ILE CA C 117 64.800 65.829 -1.029 1
1 1234 . 1 1 1 A 117 117 ILE CB C 117 38.600 38.549 0.051 1
1 1238 . 1 1 1 A 117 117 ILE N N 117 119.700 121.456 -1.756 1
1 1239 . 1 1 1 A 118 118 ALA H H 118 7.720 7.808 -0.088 1
1 1240 . 1 1 1 A 118 118 ALA HA H 118 4.250 4.131 0.119 1
1 1244 . 1 1 1 A 118 118 ALA CA C 118 52.900 54.721 -1.821 1
1 1245 . 1 1 1 A 118 118 ALA CB C 118 18.700 18.443 0.257 1
1 1246 . 1 1 1 A 118 118 ALA N N 118 119.900 122.153 -2.253 1
1 1247 . 1 1 1 A 119 119 ARG H H 119 7.450 8.011 -0.561 1
1 1248 . 1 1 1 A 119 119 ARG HA H 119 4.110 4.049 0.061 1
1 1255 . 1 1 1 A 119 119 ARG CA C 119 57.600 58.858 -1.258 1
1 1256 . 1 1 1 A 119 119 ARG CB C 119 31.000 29.632 1.368 1
1 1259 . 1 1 1 A 119 119 ARG N N 119 118.400 119.113 -0.713 1
1 1260 . 1 1 1 A 120 120 GLU H H 120 8.890 7.609 1.281 1
1 1261 . 1 1 1 A 120 120 GLU HA H 120 4.280 4.224 0.056 1
1 1266 . 1 1 1 A 120 120 GLU CA C 120 57.600 58.807 -1.207 1
1 1267 . 1 1 1 A 120 120 GLU CB C 120 30.100 30.226 -0.126 1
1 1269 . 1 1 1 A 120 120 GLU N N 120 114.900 118.646 -3.746 1
1 1 . 2 1 1 A 6 6 LEU HA H 6 4.230 4.603 -0.373 1
1 11 . 2 1 1 A 6 6 LEU CA C 6 58.000 54.452 3.548 1
1 12 . 2 1 1 A 6 6 LEU CB C 6 40.900 43.676 -2.776 1
1 16 . 2 1 1 A 7 7 LEU H H 7 8.970 7.985 0.985 1
1 17 . 2 1 1 A 7 7 LEU HA H 7 3.970 4.083 -0.113 1
1 27 . 2 1 1 A 7 7 LEU CA C 7 58.500 58.321 0.179 1
1 28 . 2 1 1 A 7 7 LEU CB C 7 41.000 41.525 -0.525 1
1 32 . 2 1 1 A 7 7 LEU N N 7 124.300 120.845 3.455 1
1 33 . 2 1 1 A 8 8 GLU H H 8 7.910 8.409 -0.499 1
1 34 . 2 1 1 A 8 8 GLU HA H 8 4.040 3.980 0.060 1
1 39 . 2 1 1 A 8 8 GLU CA C 8 59.500 59.507 -0.007 1
1 40 . 2 1 1 A 8 8 GLU CB C 8 29.200 29.263 -0.063 1
1 42 . 2 1 1 A 8 8 GLU N N 8 119.000 119.166 -0.166 1
1 43 . 2 1 1 A 9 9 MET H H 9 8.520 8.308 0.212 1
1 44 . 2 1 1 A 9 9 MET HA H 9 4.030 4.191 -0.161 1
1 52 . 2 1 1 A 9 9 MET CA C 9 59.900 58.392 1.508 1
1 53 . 2 1 1 A 9 9 MET CB C 9 36.000 32.830 3.170 1
1 56 . 2 1 1 A 9 9 MET N N 9 117.500 118.867 -1.367 1
1 57 . 2 1 1 A 10 10 THR H H 10 8.470 7.715 0.755 1
1 58 . 2 1 1 A 10 10 THR HA H 10 3.550 3.765 -0.215 1
1 64 . 2 1 1 A 10 10 THR CA C 10 67.200 67.490 -0.290 1
1 65 . 2 1 1 A 10 10 THR CB C 10 68.500 68.435 0.065 1
1 67 . 2 1 1 A 10 10 THR N N 10 116.600 116.598 0.002 1
1 68 . 2 1 1 A 11 11 GLU H H 11 8.500 9.084 -0.584 1
1 69 . 2 1 1 A 11 11 GLU HA H 11 3.910 3.892 0.018 1
1 74 . 2 1 1 A 11 11 GLU CA C 11 59.400 60.001 -0.601 1
1 75 . 2 1 1 A 11 11 GLU CB C 11 29.200 29.213 -0.013 1
1 77 . 2 1 1 A 11 11 GLU N N 11 119.400 119.550 -0.150 1
1 78 . 2 1 1 A 12 12 GLN H H 12 8.140 8.250 -0.110 1
1 79 . 2 1 1 A 12 12 GLN HA H 12 4.100 4.084 0.016 1
1 86 . 2 1 1 A 12 12 GLN CA C 12 59.000 58.594 0.406 1
1 87 . 2 1 1 A 12 12 GLN CB C 12 27.800 28.447 -0.647 1
1 89 . 2 1 1 A 12 12 GLN N N 12 120.400 120.022 0.378 1
1 91 . 2 1 1 A 13 13 MET H H 13 8.120 7.572 0.548 1
1 92 . 2 1 1 A 13 13 MET HA H 13 3.710 3.931 -0.221 1
1 100 . 2 1 1 A 13 13 MET CA C 13 59.600 58.081 1.519 1
1 101 . 2 1 1 A 13 13 MET CB C 13 33.300 31.621 1.679 1
1 104 . 2 1 1 A 13 13 MET N N 13 118.500 118.571 -0.071 1
1 105 . 2 1 1 A 14 14 ILE H H 14 8.040 8.142 -0.102 1
1 106 . 2 1 1 A 14 14 ILE HA H 14 3.270 3.527 -0.257 1
1 116 . 2 1 1 A 14 14 ILE CA C 14 65.700 64.982 0.718 1
1 117 . 2 1 1 A 14 14 ILE CB C 14 38.000 37.553 0.447 1
1 121 . 2 1 1 A 14 14 ILE N N 14 119.400 119.776 -0.376 1
1 122 . 2 1 1 A 15 15 GLU H H 15 7.700 8.524 -0.824 1
1 123 . 2 1 1 A 15 15 GLU HA H 15 4.110 3.947 0.163 1
1 128 . 2 1 1 A 15 15 GLU CA C 15 59.300 59.407 -0.107 1
1 129 . 2 1 1 A 15 15 GLU CB C 15 29.200 29.757 -0.557 1
1 131 . 2 1 1 A 15 15 GLU N N 15 119.000 121.412 -2.412 1
1 132 . 2 1 1 A 16 16 VAL H H 16 8.410 8.301 0.109 1
1 133 . 2 1 1 A 16 16 VAL HA H 16 3.530 3.673 -0.143 1
1 141 . 2 1 1 A 16 16 VAL CA C 16 66.600 66.430 0.170 1
1 142 . 2 1 1 A 16 16 VAL CB C 16 31.900 31.658 0.242 1
1 145 . 2 1 1 A 16 16 VAL N N 16 119.500 119.917 -0.417 1
1 146 . 2 1 1 A 17 17 ALA H H 17 8.600 8.221 0.379 1
1 147 . 2 1 1 A 17 17 ALA HA H 17 4.080 4.006 0.074 1
1 151 . 2 1 1 A 17 17 ALA CA C 17 54.700 55.924 -1.224 1
1 152 . 2 1 1 A 17 17 ALA CB C 17 17.700 18.283 -0.583 1
1 153 . 2 1 1 A 17 17 ALA N N 17 123.100 122.269 0.831 1
1 154 . 2 1 1 A 18 18 GLU H H 18 8.850 8.481 0.369 1
1 155 . 2 1 1 A 18 18 GLU HA H 18 3.990 3.998 -0.008 1
1 160 . 2 1 1 A 18 18 GLU CA C 18 59.500 59.892 -0.392 1
1 161 . 2 1 1 A 18 18 GLU CB C 18 29.700 29.135 0.565 1
1 163 . 2 1 1 A 18 18 GLU N N 18 117.900 118.776 -0.876 1
1 164 . 2 1 1 A 19 19 LYS H H 19 8.750 8.449 0.301 1
1 165 . 2 1 1 A 19 19 LYS HA H 19 4.150 4.086 0.064 1
1 174 . 2 1 1 A 19 19 LYS CA C 19 58.700 59.097 -0.397 1
1 175 . 2 1 1 A 19 19 LYS CB C 19 31.900 32.553 -0.653 1
1 179 . 2 1 1 A 19 19 LYS N N 19 119.200 117.760 1.440 1
1 180 . 2 1 1 A 20 20 GLY H H 20 8.640 8.371 0.269 1
1 181 . 2 1 1 A 20 20 GLY HA2 H 20 3.790 3.789 0.001 1
1 182 . 2 1 1 A 20 20 GLY HA3 H 20 3.500 3.799 -0.299 1
1 183 . 2 1 1 A 20 20 GLY CA C 20 46.400 47.301 -0.901 1
1 184 . 2 1 1 A 20 20 GLY N N 20 110.300 107.671 2.629 1
1 185 . 2 1 1 A 21 21 ALA H H 21 8.550 7.849 0.701 1
1 186 . 2 1 1 A 21 21 ALA HA H 21 4.490 4.366 0.124 1
1 190 . 2 1 1 A 21 21 ALA CA C 21 55.100 54.761 0.339 1
1 191 . 2 1 1 A 21 21 ALA CB C 21 17.300 18.412 -1.112 1
1 192 . 2 1 1 A 21 21 ALA N N 21 125.300 125.163 0.137 1
1 193 . 2 1 1 A 22 22 ASP H H 22 7.660 8.686 -1.026 1
1 194 . 2 1 1 A 22 22 ASP HA H 22 4.460 4.383 0.077 1
1 197 . 2 1 1 A 22 22 ASP CA C 22 56.900 57.968 -1.068 1
1 198 . 2 1 1 A 22 22 ASP CB C 22 40.500 42.211 -1.711 1
1 199 . 2 1 1 A 22 22 ASP N N 22 119.000 118.751 0.249 1
1 200 . 2 1 1 A 23 23 ARG H H 23 8.110 8.386 -0.276 1
1 201 . 2 1 1 A 23 23 ARG HA H 23 4.000 4.036 -0.036 1
1 208 . 2 1 1 A 23 23 ARG CA C 23 59.200 59.083 0.117 1
1 209 . 2 1 1 A 23 23 ARG CB C 23 30.700 29.939 0.761 1
1 212 . 2 1 1 A 23 23 ARG N N 23 121.800 120.355 1.445 1
1 213 . 2 1 1 A 24 24 TYR H H 24 8.460 8.410 0.050 1
1 214 . 2 1 1 A 24 24 TYR HA H 24 3.780 3.985 -0.205 1
1 221 . 2 1 1 A 24 24 TYR CA C 24 60.900 62.160 -1.260 1
1 222 . 2 1 1 A 24 24 TYR CB C 24 39.400 37.952 1.448 1
1 225 . 2 1 1 A 24 24 TYR N N 24 120.400 120.804 -0.404 1
1 226 . 2 1 1 A 25 25 GLN H H 25 7.540 8.723 -1.183 1
1 227 . 2 1 1 A 25 25 GLN HA H 25 3.750 3.860 -0.110 1
1 232 . 2 1 1 A 25 25 GLN CA C 25 57.800 58.601 -0.801 1
1 233 . 2 1 1 A 25 25 GLN CB C 25 28.400 28.606 -0.206 1
1 235 . 2 1 1 A 25 25 GLN N N 25 117.500 118.656 -1.156 1
1 236 . 2 1 1 A 26 26 GLU H H 26 7.980 7.965 0.015 1
1 237 . 2 1 1 A 26 26 GLU HA H 26 4.010 4.134 -0.124 1
1 242 . 2 1 1 A 26 26 GLU CA C 26 57.900 58.267 -0.367 1
1 243 . 2 1 1 A 26 26 GLU CB C 26 29.700 30.430 -0.730 1
1 245 . 2 1 1 A 26 26 GLU N N 26 117.900 119.541 -1.641 1
1 246 . 2 1 1 A 32 32 HIS HA H 32 4.620 4.935 -0.315 1
1 249 . 2 1 1 A 32 32 HIS CA C 32 56.900 55.130 1.770 1
1 250 . 2 1 1 A 32 32 HIS CB C 32 64.000 31.020 32.980 1
1 251 . 2 1 1 A 33 33 SER HA H 33 4.610 4.078 0.532 1
1 254 . 2 1 1 A 33 33 SER CA C 33 56.900 58.891 -1.991 1
1 255 . 2 1 1 A 33 33 SER CB C 33 64.000 61.792 2.208 1
1 256 . 2 1 1 A 34 34 TYR HA H 34 4.630 5.050 -0.420 1
1 263 . 2 1 1 A 34 34 TYR CA C 34 56.900 57.890 -0.990 1
1 264 . 2 1 1 A 34 34 TYR CB C 34 40.700 42.281 -1.581 1
1 267 . 2 1 1 A 36 36 PHE HA H 36 3.910 3.610 0.300 1
1 275 . 2 1 1 A 36 36 PHE CA C 36 62.000 61.651 0.349 1
1 276 . 2 1 1 A 36 36 PHE CB C 36 39.200 38.996 0.204 1
1 280 . 2 1 1 A 37 37 PHE H H 37 8.090 8.548 -0.458 1
1 281 . 2 1 1 A 37 37 PHE HA H 37 3.980 4.255 -0.275 1
1 289 . 2 1 1 A 37 37 PHE CA C 37 61.600 62.592 -0.992 1
1 290 . 2 1 1 A 37 37 PHE CB C 37 38.600 38.303 0.297 1
1 294 . 2 1 1 A 37 37 PHE N N 37 116.200 115.927 0.273 1
1 295 . 2 1 1 A 38 38 GLU H H 38 9.000 8.183 0.817 1
1 296 . 2 1 1 A 38 38 GLU HA H 38 4.130 4.242 -0.112 1
1 301 . 2 1 1 A 38 38 GLU CA C 38 57.700 58.830 -1.130 1
1 302 . 2 1 1 A 38 38 GLU CB C 38 30.600 30.160 0.440 1
1 304 . 2 1 1 A 38 38 GLU N N 38 116.000 120.165 -4.165 1
1 305 . 2 1 1 A 39 39 THR H H 39 7.390 7.948 -0.558 1
1 306 . 2 1 1 A 39 39 THR HA H 39 4.280 4.603 -0.323 1
1 311 . 2 1 1 A 39 39 THR CA C 39 64.100 62.488 1.612 1
1 312 . 2 1 1 A 39 39 THR CB C 39 70.000 71.551 -1.551 1
1 314 . 2 1 1 A 39 39 THR N N 39 110.400 114.411 -4.011 1
1 315 . 2 1 1 A 40 40 ILE H H 40 7.250 7.600 -0.350 1
1 316 . 2 1 1 A 40 40 ILE HA H 40 2.570 3.914 -1.344 1
1 326 . 2 1 1 A 40 40 ILE CA C 40 65.800 60.734 5.066 1
1 327 . 2 1 1 A 40 40 ILE CB C 40 37.300 37.413 -0.113 1
1 331 . 2 1 1 A 40 40 ILE N N 40 120.900 119.188 1.712 1
1 332 . 2 1 1 A 41 41 LYS H H 41 8.400 7.611 0.789 1
1 333 . 2 1 1 A 41 41 LYS HA H 41 3.650 3.990 -0.340 1
1 336 . 2 1 1 A 41 41 LYS CA C 41 59.000 61.303 -2.303 1
1 337 . 2 1 1 A 41 41 LYS CB C 41 29.700 29.825 -0.125 1
1 338 . 2 1 1 A 41 41 LYS N N 41 118.800 123.854 -5.054 1
1 339 . 2 1 1 A 42 42 PRO HA H 42 4.280 4.400 -0.120 1
1 346 . 2 1 1 A 42 42 PRO CA C 42 65.300 64.951 0.349 1
1 347 . 2 1 1 A 42 42 PRO CB C 42 30.200 31.267 -1.067 1
1 350 . 2 1 1 A 43 43 ALA H H 43 6.790 7.769 -0.979 1
1 351 . 2 1 1 A 43 43 ALA HA H 43 4.190 4.084 0.106 1
1 355 . 2 1 1 A 43 43 ALA CA C 43 54.900 55.019 -0.119 1
1 356 . 2 1 1 A 43 43 ALA CB C 43 18.000 18.369 -0.369 1
1 357 . 2 1 1 A 43 43 ALA N N 43 119.500 119.865 -0.365 1
1 358 . 2 1 1 A 44 44 VAL H H 44 8.380 7.467 0.913 1
1 359 . 2 1 1 A 44 44 VAL HA H 44 3.460 3.404 0.056 1
1 367 . 2 1 1 A 44 44 VAL CA C 44 67.200 66.989 0.211 1
1 368 . 2 1 1 A 44 44 VAL CB C 44 31.500 31.437 0.063 1
1 371 . 2 1 1 A 44 44 VAL N N 44 120.500 118.425 2.075 1
1 372 . 2 1 1 A 45 45 GLU H H 45 8.410 8.255 0.155 1
1 373 . 2 1 1 A 45 45 GLU HA H 45 4.060 4.005 0.055 1
1 378 . 2 1 1 A 45 45 GLU CA C 45 59.600 59.705 -0.105 1
1 379 . 2 1 1 A 45 45 GLU CB C 45 29.300 29.387 -0.087 1
1 381 . 2 1 1 A 45 45 GLU N N 45 118.400 119.081 -0.681 1
1 382 . 2 1 1 A 46 46 GLU H H 46 8.390 7.936 0.454 1
1 383 . 2 1 1 A 46 46 GLU HA H 46 4.200 4.084 0.116 1
1 388 . 2 1 1 A 46 46 GLU CA C 46 58.900 59.516 -0.616 1
1 389 . 2 1 1 A 46 46 GLU CB C 46 29.300 29.141 0.159 1
1 391 . 2 1 1 A 46 46 GLU N N 46 118.800 120.637 -1.837 1
1 392 . 2 1 1 A 47 47 ASN H H 47 7.700 8.081 -0.381 1
1 393 . 2 1 1 A 47 47 ASN HA H 47 4.900 4.703 0.197 1
1 398 . 2 1 1 A 47 47 ASN CA C 47 57.100 55.903 1.197 1
1 399 . 2 1 1 A 47 47 ASN CB C 47 39.000 38.004 0.996 1
1 400 . 2 1 1 A 47 47 ASN N N 47 118.000 118.139 -0.139 1
1 402 . 2 1 1 A 48 48 ASP H H 48 8.810 8.113 0.697 1
1 403 . 2 1 1 A 48 48 ASP HA H 48 4.520 4.354 0.166 1
1 406 . 2 1 1 A 48 48 ASP CA C 48 57.800 57.679 0.121 1
1 407 . 2 1 1 A 48 48 ASP CB C 48 41.700 41.580 0.120 1
1 408 . 2 1 1 A 48 48 ASP N N 48 124.000 119.215 4.785 1
1 409 . 2 1 1 A 49 49 GLU H H 49 7.310 8.300 -0.990 1
1 410 . 2 1 1 A 49 49 GLU HA H 49 4.070 4.098 -0.028 1
1 415 . 2 1 1 A 49 49 GLU CA C 49 59.500 59.254 0.246 1
1 416 . 2 1 1 A 49 49 GLU CB C 49 29.300 29.554 -0.254 1
1 418 . 2 1 1 A 49 49 GLU N N 49 117.600 118.130 -0.530 1
1 419 . 2 1 1 A 50 50 LEU H H 50 7.590 8.528 -0.938 1
1 420 . 2 1 1 A 50 50 LEU HA H 50 4.160 4.204 -0.044 1
1 430 . 2 1 1 A 50 50 LEU CA C 50 58.000 58.258 -0.258 1
1 431 . 2 1 1 A 50 50 LEU CB C 50 41.800 41.796 0.004 1
1 435 . 2 1 1 A 50 50 LEU N N 50 119.500 121.906 -2.406 1
1 436 . 2 1 1 A 51 51 ALA H H 51 8.620 8.788 -0.168 1
1 437 . 2 1 1 A 51 51 ALA HA H 51 4.210 4.047 0.163 1
1 441 . 2 1 1 A 51 51 ALA CA C 51 54.900 55.306 -0.406 1
1 442 . 2 1 1 A 51 51 ALA CB C 51 18.600 18.282 0.318 1
1 443 . 2 1 1 A 51 51 ALA N N 51 118.900 120.727 -1.827 1
1 444 . 2 1 1 A 52 52 ALA H H 52 8.410 8.328 0.082 1
1 445 . 2 1 1 A 52 52 ALA HA H 52 4.210 4.094 0.116 1
1 449 . 2 1 1 A 52 52 ALA CA C 52 55.100 55.493 -0.393 1
1 450 . 2 1 1 A 52 52 ALA CB C 52 18.400 18.268 0.132 1
1 451 . 2 1 1 A 52 52 ALA N N 52 119.400 120.804 -1.404 1
1 452 . 2 1 1 A 53 53 ARG H H 53 8.070 8.177 -0.107 1
1 453 . 2 1 1 A 53 53 ARG HA H 53 4.130 4.102 0.028 1
1 460 . 2 1 1 A 53 53 ARG CA C 53 59.100 59.057 0.043 1
1 461 . 2 1 1 A 53 53 ARG CB C 53 30.900 29.721 1.179 1
1 464 . 2 1 1 A 53 53 ARG N N 53 119.500 118.062 1.438 1
1 465 . 2 1 1 A 54 54 TRP H H 54 9.270 8.402 0.868 1
1 466 . 2 1 1 A 54 54 TRP HA H 54 3.830 4.284 -0.454 1
1 475 . 2 1 1 A 54 54 TRP CA C 54 62.400 61.231 1.169 1
1 476 . 2 1 1 A 54 54 TRP CB C 54 29.200 29.231 -0.031 1
1 482 . 2 1 1 A 54 54 TRP N N 54 124.000 122.435 1.565 1
1 484 . 2 1 1 A 55 55 ALA H H 55 8.810 8.475 0.335 1
1 485 . 2 1 1 A 55 55 ALA HA H 55 3.220 3.861 -0.641 1
1 489 . 2 1 1 A 55 55 ALA CA C 55 55.100 55.338 -0.238 1
1 490 . 2 1 1 A 55 55 ALA CB C 55 17.500 18.166 -0.666 1
1 491 . 2 1 1 A 55 55 ALA N N 55 120.800 121.393 -0.593 1
1 492 . 2 1 1 A 56 56 GLU H H 56 7.460 7.863 -0.403 1
1 493 . 2 1 1 A 56 56 GLU HA H 56 3.880 3.872 0.008 1
1 498 . 2 1 1 A 56 56 GLU CA C 56 59.200 59.129 0.071 1
1 499 . 2 1 1 A 56 56 GLU CB C 56 29.500 29.290 0.210 1
1 501 . 2 1 1 A 56 56 GLU N N 56 114.800 118.709 -3.909 1
1 502 . 2 1 1 A 57 57 GLY H H 57 7.650 8.571 -0.921 1
1 503 . 2 1 1 A 57 57 GLY HA2 H 57 3.490 3.775 -0.285 1
1 504 . 2 1 1 A 57 57 GLY HA3 H 57 3.850 3.809 0.041 1
1 505 . 2 1 1 A 57 57 GLY CA C 57 47.100 47.006 0.094 1
1 506 . 2 1 1 A 57 57 GLY N N 57 106.000 108.584 -2.584 1
1 507 . 2 1 1 A 58 58 ALA H H 58 8.950 7.969 0.981 1
1 508 . 2 1 1 A 58 58 ALA HA H 58 3.640 3.761 -0.121 1
1 512 . 2 1 1 A 58 58 ALA CA C 58 54.500 54.461 0.039 1
1 513 . 2 1 1 A 58 58 ALA CB C 58 16.700 18.308 -1.608 1
1 514 . 2 1 1 A 58 58 ALA N N 58 127.400 124.639 2.761 1
1 515 . 2 1 1 A 59 59 LEU H H 59 8.370 8.298 0.072 1
1 516 . 2 1 1 A 59 59 LEU HA H 59 3.920 3.826 0.094 1
1 526 . 2 1 1 A 59 59 LEU CA C 59 57.300 57.911 -0.611 1
1 527 . 2 1 1 A 59 59 LEU CB C 59 40.800 41.270 -0.470 1
1 531 . 2 1 1 A 59 59 LEU N N 59 116.800 119.055 -2.255 1
1 532 . 2 1 1 A 60 60 GLU H H 60 7.310 7.923 -0.613 1
1 533 . 2 1 1 A 60 60 GLU HA H 60 4.030 3.938 0.092 1
1 538 . 2 1 1 A 60 60 GLU CA C 60 58.800 59.331 -0.531 1
1 539 . 2 1 1 A 60 60 GLU CB C 60 28.900 29.390 -0.490 1
1 541 . 2 1 1 A 60 60 GLU N N 60 119.000 120.386 -1.386 1
1 542 . 2 1 1 A 61 61 LEU H H 61 7.700 8.135 -0.435 1
1 543 . 2 1 1 A 61 61 LEU HA H 61 4.000 4.019 -0.019 1
1 553 . 2 1 1 A 61 61 LEU CA C 61 58.100 57.944 0.156 1
1 554 . 2 1 1 A 61 61 LEU CB C 61 41.400 41.727 -0.327 1
1 558 . 2 1 1 A 61 61 LEU N N 61 120.800 120.283 0.517 1
1 559 . 2 1 1 A 62 62 ILE H H 62 7.510 7.831 -0.321 1
1 560 . 2 1 1 A 62 62 ILE HA H 62 4.040 4.487 -0.447 1
1 570 . 2 1 1 A 62 62 ILE CA C 62 63.200 64.055 -0.855 1
1 571 . 2 1 1 A 62 62 ILE CB C 62 37.200 37.288 -0.088 1
1 575 . 2 1 1 A 62 62 ILE N N 62 110.700 114.777 -4.077 1
1 576 . 2 1 1 A 63 63 LYS H H 63 7.520 8.377 -0.857 1
1 577 . 2 1 1 A 63 63 LYS HA H 63 4.070 4.074 -0.004 1
1 586 . 2 1 1 A 63 63 LYS CA C 63 58.600 58.974 -0.374 1
1 587 . 2 1 1 A 63 63 LYS CB C 63 32.800 31.935 0.865 1
1 590 . 2 1 1 A 63 63 LYS N N 63 121.100 123.522 -2.422 1
1 591 . 2 1 1 A 64 64 VAL H H 64 7.630 7.082 0.548 1
1 592 . 2 1 1 A 64 64 VAL HA H 64 3.950 3.893 0.057 1
1 600 . 2 1 1 A 64 64 VAL CA C 64 63.900 64.827 -0.927 1
1 601 . 2 1 1 A 64 64 VAL CB C 64 32.400 32.630 -0.230 1
1 604 . 2 1 1 A 64 64 VAL N N 64 115.200 118.199 -2.999 1
1 605 . 2 1 1 A 65 65 ARG H H 65 7.980 8.351 -0.371 1
1 606 . 2 1 1 A 65 65 ARG HA H 65 4.390 4.654 -0.264 1
1 613 . 2 1 1 A 65 65 ARG CA C 65 55.200 54.214 0.986 1
1 614 . 2 1 1 A 65 65 ARG CB C 65 31.500 32.637 -1.137 1
1 617 . 2 1 1 A 65 65 ARG N N 65 118.300 119.413 -1.113 1
1 618 . 2 1 1 A 66 66 ARG HA H 66 4.340 4.361 -0.021 1
1 621 . 2 1 1 A 66 66 ARG CA C 66 54.900 54.980 -0.080 1
1 622 . 2 1 1 A 66 66 ARG CB C 66 29.200 29.837 -0.637 1
1 629 . 2 1 1 A 68 68 LYS HA H 68 4.100 4.236 -0.136 1
1 638 . 2 1 1 A 68 68 LYS CA C 68 57.900 58.390 -0.490 1
1 639 . 2 1 1 A 68 68 LYS CB C 68 34.100 32.789 1.311 1
1 643 . 2 1 1 A 69 69 TYR HA H 69 4.760 4.325 0.435 1
1 650 . 2 1 1 A 69 69 TYR CA C 69 57.800 60.328 -2.528 1
1 651 . 2 1 1 A 69 69 TYR CB C 69 39.600 39.241 0.359 1
1 654 . 2 1 1 A 70 70 VAL H H 70 6.950 7.605 -0.655 1
1 655 . 2 1 1 A 70 70 VAL HA H 70 4.720 4.092 0.628 1
1 663 . 2 1 1 A 70 70 VAL CA C 70 60.000 62.070 -2.070 1
1 664 . 2 1 1 A 70 70 VAL CB C 70 34.500 32.672 1.828 1
1 667 . 2 1 1 A 70 70 VAL N N 70 115.400 118.499 -3.099 1
1 668 . 2 1 1 A 71 71 HIS H H 71 7.870 8.997 -1.127 1
1 669 . 2 1 1 A 71 71 HIS HA H 71 4.910 5.159 -0.249 1
1 673 . 2 1 1 A 71 71 HIS CA C 71 54.100 54.489 -0.389 1
1 674 . 2 1 1 A 71 71 HIS CB C 71 33.700 32.834 0.866 1
1 676 . 2 1 1 A 71 71 HIS N N 71 120.600 124.581 -3.981 1
1 677 . 2 1 1 A 72 72 LYS H H 72 8.400 9.036 -0.636 1
1 678 . 2 1 1 A 72 72 LYS HA H 72 3.680 3.951 -0.271 1
1 687 . 2 1 1 A 72 72 LYS CA C 72 60.600 59.258 1.342 1
1 688 . 2 1 1 A 72 72 LYS CB C 72 32.800 32.160 0.640 1
1 692 . 2 1 1 A 73 73 GLU H H 73 9.680 8.413 1.267 1
1 693 . 2 1 1 A 73 73 GLU HA H 73 4.170 4.009 0.161 1
1 698 . 2 1 1 A 73 73 GLU CA C 73 60.000 59.865 0.135 1
1 699 . 2 1 1 A 73 73 GLU CB C 73 28.300 29.044 -0.744 1
1 701 . 2 1 1 A 73 73 GLU N N 73 117.300 119.584 -2.284 1
1 702 . 2 1 1 A 74 74 GLN H H 74 7.360 7.947 -0.587 1
1 703 . 2 1 1 A 74 74 GLN HA H 74 4.180 4.107 0.073 1
1 710 . 2 1 1 A 74 74 GLN CA C 74 58.300 58.630 -0.330 1
1 711 . 2 1 1 A 74 74 GLN CB C 74 28.300 28.462 -0.162 1
1 713 . 2 1 1 A 74 74 GLN N N 74 117.700 118.432 -0.732 1
1 715 . 2 1 1 A 75 75 ILE H H 75 7.530 8.229 -0.699 1
1 716 . 2 1 1 A 75 75 ILE HA H 75 3.780 3.790 -0.010 1
1 726 . 2 1 1 A 75 75 ILE CA C 75 64.100 65.797 -1.697 1
1 727 . 2 1 1 A 75 75 ILE CB C 75 36.800 37.751 -0.951 1
1 731 . 2 1 1 A 75 75 ILE N N 75 120.600 121.101 -0.501 1
1 732 . 2 1 1 A 76 76 GLU H H 76 8.340 8.360 -0.020 1
1 733 . 2 1 1 A 76 76 GLU HA H 76 3.970 4.104 -0.134 1
1 738 . 2 1 1 A 76 76 GLU CA C 76 59.200 59.437 -0.237 1
1 739 . 2 1 1 A 76 76 GLU CB C 76 29.700 28.797 0.903 1
1 741 . 2 1 1 A 76 76 GLU N N 76 117.500 120.951 -3.451 1
1 742 . 2 1 1 A 77 77 ALA H H 77 7.390 7.822 -0.432 1
1 743 . 2 1 1 A 77 77 ALA HA H 77 4.370 4.153 0.217 1
1 747 . 2 1 1 A 77 77 ALA CA C 77 53.400 54.950 -1.550 1
1 748 . 2 1 1 A 77 77 ALA CB C 77 18.800 18.275 0.525 1
1 749 . 2 1 1 A 77 77 ALA N N 77 118.600 123.062 -4.462 1
1 750 . 2 1 1 A 78 78 VAL H H 78 7.620 8.570 -0.950 1
1 751 . 2 1 1 A 78 78 VAL HA H 78 3.720 3.476 0.244 1
1 759 . 2 1 1 A 78 78 VAL CA C 78 66.700 67.144 -0.444 1
1 760 . 2 1 1 A 78 78 VAL CB C 78 31.500 31.471 0.029 1
1 763 . 2 1 1 A 78 78 VAL N N 78 116.800 118.887 -2.087 1
1 764 . 2 1 1 A 79 79 LYS H H 79 8.570 7.835 0.735 1
1 765 . 2 1 1 A 79 79 LYS HA H 79 3.780 4.077 -0.297 1
1 774 . 2 1 1 A 79 79 LYS CA C 79 61.800 60.047 1.753 1
1 775 . 2 1 1 A 79 79 LYS CB C 79 31.500 32.377 -0.877 1
1 779 . 2 1 1 A 79 79 LYS N N 79 119.500 120.065 -0.565 1
1 780 . 2 1 1 A 80 80 ASP H H 80 8.350 8.239 0.111 1
1 781 . 2 1 1 A 80 80 ASP HA H 80 4.490 4.428 0.062 1
1 784 . 2 1 1 A 80 80 ASP CA C 80 57.300 58.054 -0.754 1
1 785 . 2 1 1 A 80 80 ASP CB C 80 40.000 41.157 -1.157 1
1 786 . 2 1 1 A 80 80 ASP N N 80 115.500 120.265 -4.765 1
1 787 . 2 1 1 A 81 81 ASN H H 81 7.690 8.609 -0.919 1
1 788 . 2 1 1 A 81 81 ASN HA H 81 4.540 4.416 0.124 1
1 793 . 2 1 1 A 81 81 ASN CA C 81 55.500 56.320 -0.820 1
1 794 . 2 1 1 A 81 81 ASN CB C 81 38.600 37.758 0.842 1
1 795 . 2 1 1 A 81 81 ASN N N 81 118.300 117.506 0.794 1
1 797 . 2 1 1 A 82 82 PHE H H 82 9.620 8.533 1.087 1
1 798 . 2 1 1 A 82 82 PHE HA H 82 4.060 4.138 -0.078 1
1 806 . 2 1 1 A 82 82 PHE CA C 82 60.900 61.238 -0.338 1
1 807 . 2 1 1 A 82 82 PHE CB C 82 39.500 39.314 0.186 1
1 811 . 2 1 1 A 82 82 PHE N N 82 121.400 122.894 -1.494 1
1 812 . 2 1 1 A 83 83 LEU H H 83 8.210 8.400 -0.190 1
1 813 . 2 1 1 A 83 83 LEU HA H 83 3.900 3.672 0.228 1
1 823 . 2 1 1 A 83 83 LEU CA C 83 57.000 57.757 -0.757 1
1 824 . 2 1 1 A 83 83 LEU CB C 83 40.400 41.287 -0.887 1
1 828 . 2 1 1 A 83 83 LEU N N 83 117.400 119.110 -1.710 1
1 829 . 2 1 1 A 84 84 GLU H H 84 7.660 8.155 -0.495 1
1 830 . 2 1 1 A 84 84 GLU HA H 84 4.150 4.097 0.053 1
1 835 . 2 1 1 A 84 84 GLU CA C 84 59.500 59.300 0.200 1
1 836 . 2 1 1 A 84 84 GLU CB C 84 28.700 29.661 -0.961 1
1 838 . 2 1 1 A 84 84 GLU N N 84 121.500 119.179 2.321 1
1 839 . 2 1 1 A 85 85 LEU H H 85 8.100 8.179 -0.079 1
1 840 . 2 1 1 A 85 85 LEU HA H 85 3.600 3.949 -0.349 1
1 850 . 2 1 1 A 85 85 LEU CA C 85 59.300 58.080 1.220 1
1 851 . 2 1 1 A 85 85 LEU CB C 85 41.800 41.293 0.507 1
1 855 . 2 1 1 A 85 85 LEU N N 85 121.700 122.206 -0.506 1
1 856 . 2 1 1 A 86 86 VAL H H 86 8.220 7.813 0.407 1
1 857 . 2 1 1 A 86 86 VAL HA H 86 3.100 3.449 -0.349 1
1 865 . 2 1 1 A 86 86 VAL CA C 86 67.200 66.647 0.553 1
1 866 . 2 1 1 A 86 86 VAL CB C 86 31.500 31.580 -0.080 1
1 869 . 2 1 1 A 86 86 VAL N N 86 118.400 119.259 -0.859 1
1 870 . 2 1 1 A 87 87 LEU H H 87 8.450 7.964 0.486 1
1 871 . 2 1 1 A 87 87 LEU HA H 87 3.960 4.112 -0.152 1
1 881 . 2 1 1 A 87 87 LEU CA C 87 59.100 58.617 0.483 1
1 882 . 2 1 1 A 87 87 LEU CB C 87 42.300 41.696 0.604 1
1 886 . 2 1 1 A 87 87 LEU N N 87 120.200 120.089 0.111 1
1 887 . 2 1 1 A 88 88 GLN H H 88 9.350 8.817 0.533 1
1 888 . 2 1 1 A 88 88 GLN HA H 88 4.180 3.587 0.593 1
1 895 . 2 1 1 A 88 88 GLN CA C 88 57.300 57.761 -0.461 1
1 896 . 2 1 1 A 88 88 GLN CB C 88 25.400 27.318 -1.918 1
1 898 . 2 1 1 A 88 88 GLN N N 88 114.900 116.855 -1.955 1
1 900 . 2 1 1 A 89 89 SER H H 89 8.680 7.795 0.885 1
1 901 . 2 1 1 A 89 89 SER HA H 89 4.080 4.400 -0.320 1
1 904 . 2 1 1 A 89 89 SER CA C 89 61.900 61.362 0.538 1
1 905 . 2 1 1 A 89 89 SER CB C 89 62.200 63.103 -0.903 1
1 906 . 2 1 1 A 89 89 SER N N 89 117.500 117.436 0.064 1
1 907 . 2 1 1 A 90 90 TYR H H 90 7.330 7.399 -0.069 1
1 908 . 2 1 1 A 90 90 TYR HA H 90 4.320 4.322 -0.002 1
1 915 . 2 1 1 A 90 90 TYR CA C 90 59.700 59.662 0.038 1
1 916 . 2 1 1 A 90 90 TYR CB C 90 41.400 39.648 1.752 1
1 919 . 2 1 1 A 90 90 TYR N N 90 116.000 118.450 -2.450 1
1 920 . 2 1 1 A 91 91 VAL H H 91 7.730 7.734 -0.004 1
1 921 . 2 1 1 A 91 91 VAL HA H 91 4.010 3.925 0.085 1
1 929 . 2 1 1 A 91 91 VAL CA C 91 62.600 64.230 -1.630 1
1 930 . 2 1 1 A 91 91 VAL CB C 91 32.700 32.491 0.209 1
1 933 . 2 1 1 A 91 91 VAL N N 91 110.500 115.859 -5.359 1
1 934 . 2 1 1 A 92 92 HIS H H 92 8.600 7.474 1.126 1
1 935 . 2 1 1 A 92 92 HIS HA H 92 4.280 4.519 -0.239 1
1 939 . 2 1 1 A 92 92 HIS CA C 92 56.000 56.791 -0.791 1
1 940 . 2 1 1 A 92 92 HIS CB C 92 29.200 26.740 2.460 1
1 942 . 2 1 1 A 92 92 HIS N N 92 114.500 116.016 -1.516 1
1 943 . 2 1 1 A 93 93 HIS H H 93 8.350 8.008 0.342 1
1 944 . 2 1 1 A 93 93 HIS HA H 93 4.780 4.537 0.243 1
1 948 . 2 1 1 A 93 93 HIS CA C 93 57.600 56.343 1.257 1
1 949 . 2 1 1 A 93 93 HIS CB C 93 31.900 30.272 1.628 1
1 951 . 2 1 1 A 93 93 HIS N N 93 118.200 114.962 3.238 1
1 952 . 2 1 1 A 94 94 ILE H H 94 7.470 7.457 0.013 1
1 953 . 2 1 1 A 94 94 ILE HA H 94 4.370 4.464 -0.094 1
1 963 . 2 1 1 A 94 94 ILE CA C 94 60.900 59.768 1.132 1
1 964 . 2 1 1 A 94 94 ILE CB C 94 39.600 41.661 -2.061 1
1 968 . 2 1 1 A 94 94 ILE N N 94 111.400 119.993 -8.593 1
1 969 . 2 1 1 A 95 95 HIS H H 95 6.990 8.697 -1.707 1
1 970 . 2 1 1 A 96 96 LYS HA H 96 4.040 3.925 0.115 1
1 977 . 2 1 1 A 97 97 LYS HA H 97 4.130 3.990 0.140 1
1 986 . 2 1 1 A 97 97 LYS CA C 97 59.400 59.765 -0.365 1
1 987 . 2 1 1 A 97 97 LYS CB C 97 32.000 32.565 -0.565 1
1 991 . 2 1 1 A 98 98 ARG H H 98 7.150 8.004 -0.854 1
1 992 . 2 1 1 A 98 98 ARG HA H 98 4.150 4.144 0.006 1
1 999 . 2 1 1 A 98 98 ARG CA C 98 57.900 57.941 -0.041 1
1 1000 . 2 1 1 A 98 98 ARG CB C 98 28.600 30.094 -1.494 1
1 1003 . 2 1 1 A 98 98 ARG N N 98 118.500 119.339 -0.839 1
1 1004 . 2 1 1 A 99 99 PHE H H 99 8.260 8.295 -0.035 1
1 1005 . 2 1 1 A 99 99 PHE HA H 99 3.450 4.067 -0.617 1
1 1013 . 2 1 1 A 99 99 PHE CA C 99 62.700 61.320 1.380 1
1 1014 . 2 1 1 A 99 99 PHE CB C 99 39.200 39.082 0.118 1
1 1018 . 2 1 1 A 99 99 PHE N N 99 119.100 121.439 -2.339 1
1 1019 . 2 1 1 A 100 100 LYS H H 100 8.500 8.392 0.108 1
1 1020 . 2 1 1 A 100 100 LYS HA H 100 3.980 4.009 -0.029 1
1 1029 . 2 1 1 A 100 100 LYS CA C 100 59.300 59.981 -0.681 1
1 1030 . 2 1 1 A 100 100 LYS CB C 100 31.900 32.105 -0.205 1
1 1034 . 2 1 1 A 100 100 LYS N N 100 121.700 118.644 3.056 1
1 1035 . 2 1 1 A 101 101 ASP H H 101 8.150 7.678 0.472 1
1 1036 . 2 1 1 A 101 101 ASP HA H 101 4.290 4.409 -0.119 1
1 1039 . 2 1 1 A 101 101 ASP CA C 101 57.300 57.307 -0.007 1
1 1040 . 2 1 1 A 101 101 ASP CB C 101 39.900 40.879 -0.979 1
1 1041 . 2 1 1 A 101 101 ASP N N 101 119.800 119.452 0.348 1
1 1042 . 2 1 1 A 102 102 ILE H H 102 8.220 7.631 0.589 1
1 1043 . 2 1 1 A 102 102 ILE HA H 102 3.690 3.592 0.098 1
1 1053 . 2 1 1 A 102 102 ILE CA C 102 65.000 65.064 -0.064 1
1 1054 . 2 1 1 A 102 102 ILE CB C 102 37.700 37.564 0.136 1
1 1058 . 2 1 1 A 102 102 ILE N N 102 118.800 119.467 -0.667 1
1 1059 . 2 1 1 A 103 103 THR H H 103 7.930 7.966 -0.036 1
1 1060 . 2 1 1 A 103 103 THR HA H 103 3.480 3.703 -0.223 1
1 1066 . 2 1 1 A 103 103 THR CA C 103 67.300 66.932 0.368 1
1 1067 . 2 1 1 A 103 103 THR CB C 103 67.700 68.359 -0.659 1
1 1069 . 2 1 1 A 103 103 THR N N 103 117.900 117.294 0.606 1
1 1070 . 2 1 1 A 104 104 GLU H H 104 8.470 8.675 -0.205 1
1 1071 . 2 1 1 A 104 104 GLU HA H 104 3.920 3.912 0.008 1
1 1076 . 2 1 1 A 104 104 GLU CA C 104 59.500 59.749 -0.249 1
1 1077 . 2 1 1 A 104 104 GLU CB C 104 29.200 29.361 -0.161 1
1 1079 . 2 1 1 A 104 104 GLU N N 104 118.900 120.238 -1.338 1
1 1080 . 2 1 1 A 105 105 SER H H 105 7.840 8.270 -0.430 1
1 1081 . 2 1 1 A 105 105 SER HA H 105 4.290 4.140 0.150 1
1 1084 . 2 1 1 A 105 105 SER CA C 105 60.900 62.704 -1.804 1
1 1085 . 2 1 1 A 105 105 SER CB C 105 62.700 63.054 -0.354 1
1 1086 . 2 1 1 A 105 105 SER N N 105 114.200 116.680 -2.480 1
1 1087 . 2 1 1 A 106 106 VAL H H 106 8.290 8.018 0.272 1
1 1088 . 2 1 1 A 106 106 VAL HA H 106 3.690 3.600 0.090 1
1 1096 . 2 1 1 A 106 106 VAL CA C 106 66.300 66.902 -0.602 1
1 1097 . 2 1 1 A 106 106 VAL CB C 106 31.900 31.766 0.134 1
1 1100 . 2 1 1 A 106 106 VAL N N 106 122.100 122.144 -0.044 1
1 1101 . 2 1 1 A 107 107 LEU H H 107 8.560 8.523 0.037 1
1 1102 . 2 1 1 A 107 107 LEU HA H 107 3.900 3.713 0.187 1
1 1112 . 2 1 1 A 107 107 LEU CA C 107 58.300 57.904 0.396 1
1 1113 . 2 1 1 A 107 107 LEU CB C 107 41.200 41.440 -0.240 1
1 1117 . 2 1 1 A 107 107 LEU N N 107 117.500 118.596 -1.096 1
1 1118 . 2 1 1 A 108 108 TYR H H 108 8.450 8.608 -0.158 1
1 1119 . 2 1 1 A 108 108 TYR HA H 108 4.170 3.878 0.292 1
1 1126 . 2 1 1 A 108 108 TYR CA C 108 61.800 61.775 0.025 1
1 1127 . 2 1 1 A 108 108 TYR CB C 108 37.900 38.356 -0.456 1
1 1130 . 2 1 1 A 108 108 TYR N N 108 119.000 119.168 -0.168 1
1 1131 . 2 1 1 A 109 109 THR H H 109 7.800 8.014 -0.214 1
1 1132 . 2 1 1 A 109 109 THR HA H 109 3.860 3.909 -0.049 1
1 1137 . 2 1 1 A 109 109 THR CA C 109 66.800 67.276 -0.476 1
1 1138 . 2 1 1 A 109 109 THR CB C 109 67.800 67.980 -0.180 1
1 1140 . 2 1 1 A 109 109 THR N N 109 116.500 114.568 1.932 1
1 1141 . 2 1 1 A 110 110 LEU H H 110 8.510 8.389 0.121 1
1 1142 . 2 1 1 A 110 110 LEU HA H 110 3.900 4.043 -0.143 1
1 1152 . 2 1 1 A 110 110 LEU CA C 110 58.500 57.727 0.773 1
1 1153 . 2 1 1 A 110 110 LEU CB C 110 41.300 41.885 -0.585 1
1 1157 . 2 1 1 A 110 110 LEU N N 110 121.000 120.790 0.210 1
1 1158 . 2 1 1 A 111 111 HIS H H 111 8.440 8.055 0.385 1
1 1159 . 2 1 1 A 111 111 HIS HA H 111 4.000 4.268 -0.268 1
1 1163 . 2 1 1 A 111 111 HIS CA C 111 60.900 60.146 0.754 1
1 1164 . 2 1 1 A 111 111 HIS CB C 111 29.700 29.194 0.506 1
1 1166 . 2 1 1 A 111 111 HIS N N 111 116.300 117.742 -1.442 1
1 1167 . 2 1 1 A 112 112 ALA H H 112 7.920 7.710 0.210 1
1 1168 . 2 1 1 A 112 112 ALA HA H 112 4.130 3.781 0.349 1
1 1172 . 2 1 1 A 112 112 ALA CA C 112 55.000 54.984 0.016 1
1 1173 . 2 1 1 A 112 112 ALA CB C 112 17.600 18.050 -0.450 1
1 1174 . 2 1 1 A 112 112 ALA N N 112 122.900 122.230 0.670 1
1 1175 . 2 1 1 A 113 113 VAL H H 113 8.300 7.919 0.381 1
1 1176 . 2 1 1 A 113 113 VAL HA H 113 3.540 3.424 0.116 1
1 1184 . 2 1 1 A 113 113 VAL CA C 113 67.200 66.590 0.610 1
1 1185 . 2 1 1 A 113 113 VAL CB C 113 31.000 31.525 -0.525 1
1 1188 . 2 1 1 A 113 113 VAL N N 113 119.000 118.393 0.607 1
1 1189 . 2 1 1 A 114 114 LYS H H 114 8.220 8.390 -0.170 1
1 1190 . 2 1 1 A 114 114 LYS HA H 114 3.810 4.001 -0.191 1
1 1199 . 2 1 1 A 114 114 LYS CA C 114 60.800 59.944 0.856 1
1 1200 . 2 1 1 A 114 114 LYS CB C 114 31.500 32.270 -0.770 1
1 1204 . 2 1 1 A 114 114 LYS N N 114 120.600 120.650 -0.050 1
1 1205 . 2 1 1 A 115 115 ASP H H 115 8.180 8.192 -0.012 1
1 1206 . 2 1 1 A 115 115 ASP HA H 115 4.300 4.313 -0.013 1
1 1209 . 2 1 1 A 115 115 ASP CA C 115 56.800 57.795 -0.995 1
1 1210 . 2 1 1 A 115 115 ASP CB C 115 39.600 40.980 -1.380 1
1 1211 . 2 1 1 A 115 115 ASP N N 115 118.800 119.623 -0.823 1
1 1212 . 2 1 1 A 116 116 GLU H H 116 7.990 7.667 0.323 1
1 1213 . 2 1 1 A 116 116 GLU HA H 116 4.060 4.103 -0.043 1
1 1218 . 2 1 1 A 116 116 GLU CA C 116 58.400 59.130 -0.730 1
1 1219 . 2 1 1 A 116 116 GLU CB C 116 29.000 29.703 -0.703 1
1 1221 . 2 1 1 A 116 116 GLU N N 116 120.800 118.552 2.248 1
1 1222 . 2 1 1 A 117 117 ILE H H 117 8.370 8.274 0.096 1
1 1223 . 2 1 1 A 117 117 ILE HA H 117 3.610 3.646 -0.036 1
1 1233 . 2 1 1 A 117 117 ILE CA C 117 64.800 65.688 -0.888 1
1 1234 . 2 1 1 A 117 117 ILE CB C 117 38.600 37.468 1.132 1
1 1238 . 2 1 1 A 117 117 ILE N N 117 119.700 121.069 -1.369 1
1 1239 . 2 1 1 A 118 118 ALA H H 118 7.720 8.159 -0.439 1
1 1240 . 2 1 1 A 118 118 ALA HA H 118 4.250 4.059 0.191 1
1 1244 . 2 1 1 A 118 118 ALA CA C 118 52.900 55.032 -2.132 1
1 1245 . 2 1 1 A 118 118 ALA CB C 118 18.700 17.956 0.744 1
1 1246 . 2 1 1 A 118 118 ALA N N 118 119.900 121.831 -1.931 1
1 1247 . 2 1 1 A 119 119 ARG H H 119 7.450 7.896 -0.446 1
1 1248 . 2 1 1 A 119 119 ARG HA H 119 4.110 4.010 0.100 1
1 1255 . 2 1 1 A 119 119 ARG CA C 119 57.600 59.474 -1.874 1
1 1256 . 2 1 1 A 119 119 ARG CB C 119 31.000 29.894 1.106 1
1 1259 . 2 1 1 A 119 119 ARG N N 119 118.400 118.854 -0.454 1
1 1260 . 2 1 1 A 120 120 GLU H H 120 8.890 8.448 0.442 1
1 1261 . 2 1 1 A 120 120 GLU HA H 120 4.280 4.160 0.120 1
1 1266 . 2 1 1 A 120 120 GLU CA C 120 57.600 58.083 -0.483 1
1 1267 . 2 1 1 A 120 120 GLU CB C 120 30.100 29.938 0.162 1
1 1269 . 2 1 1 A 120 120 GLU N N 120 114.900 116.720 -1.820 1
1 1 . 3 1 1 A 6 6 LEU HA H 6 4.230 4.695 -0.465 1
1 11 . 3 1 1 A 6 6 LEU CA C 6 58.000 54.559 3.441 1
1 12 . 3 1 1 A 6 6 LEU CB C 6 40.900 44.818 -3.918 1
1 16 . 3 1 1 A 7 7 LEU H H 7 8.970 7.819 1.151 1
1 17 . 3 1 1 A 7 7 LEU HA H 7 3.970 3.985 -0.015 1
1 27 . 3 1 1 A 7 7 LEU CA C 7 58.500 58.713 -0.213 1
1 28 . 3 1 1 A 7 7 LEU CB C 7 41.000 41.361 -0.361 1
1 32 . 3 1 1 A 7 7 LEU N N 7 124.300 120.794 3.506 1
1 33 . 3 1 1 A 8 8 GLU H H 8 7.910 8.381 -0.471 1
1 34 . 3 1 1 A 8 8 GLU HA H 8 4.040 3.965 0.075 1
1 39 . 3 1 1 A 8 8 GLU CA C 8 59.500 59.425 0.075 1
1 40 . 3 1 1 A 8 8 GLU CB C 8 29.200 28.881 0.319 1
1 42 . 3 1 1 A 8 8 GLU N N 8 119.000 118.734 0.266 1
1 43 . 3 1 1 A 9 9 MET H H 9 8.520 8.155 0.365 1
1 44 . 3 1 1 A 9 9 MET HA H 9 4.030 4.265 -0.235 1
1 52 . 3 1 1 A 9 9 MET CA C 9 59.900 58.423 1.477 1
1 53 . 3 1 1 A 9 9 MET CB C 9 36.000 33.066 2.934 1
1 56 . 3 1 1 A 9 9 MET N N 9 117.500 118.614 -1.114 1
1 57 . 3 1 1 A 10 10 THR H H 10 8.470 7.710 0.760 1
1 58 . 3 1 1 A 10 10 THR HA H 10 3.550 3.719 -0.169 1
1 64 . 3 1 1 A 10 10 THR CA C 10 67.200 68.247 -1.047 1
1 65 . 3 1 1 A 10 10 THR CB C 10 68.500 67.927 0.573 1
1 67 . 3 1 1 A 10 10 THR N N 10 116.600 115.355 1.245 1
1 68 . 3 1 1 A 11 11 GLU H H 11 8.500 8.681 -0.181 1
1 69 . 3 1 1 A 11 11 GLU HA H 11 3.910 3.831 0.079 1
1 74 . 3 1 1 A 11 11 GLU CA C 11 59.400 59.792 -0.392 1
1 75 . 3 1 1 A 11 11 GLU CB C 11 29.200 29.251 -0.051 1
1 77 . 3 1 1 A 11 11 GLU N N 11 119.400 119.661 -0.261 1
1 78 . 3 1 1 A 12 12 GLN H H 12 8.140 8.206 -0.066 1
1 79 . 3 1 1 A 12 12 GLN HA H 12 4.100 4.068 0.032 1
1 86 . 3 1 1 A 12 12 GLN CA C 12 59.000 58.594 0.406 1
1 87 . 3 1 1 A 12 12 GLN CB C 12 27.800 28.320 -0.520 1
1 89 . 3 1 1 A 12 12 GLN N N 12 120.400 119.625 0.775 1
1 91 . 3 1 1 A 13 13 MET H H 13 8.120 7.857 0.263 1
1 92 . 3 1 1 A 13 13 MET HA H 13 3.710 4.042 -0.332 1
1 100 . 3 1 1 A 13 13 MET CA C 13 59.600 58.181 1.419 1
1 101 . 3 1 1 A 13 13 MET CB C 13 33.300 31.866 1.434 1
1 104 . 3 1 1 A 13 13 MET N N 13 118.500 118.599 -0.099 1
1 105 . 3 1 1 A 14 14 ILE H H 14 8.040 8.153 -0.113 1
1 106 . 3 1 1 A 14 14 ILE HA H 14 3.270 3.506 -0.236 1
1 116 . 3 1 1 A 14 14 ILE CA C 14 65.700 65.151 0.549 1
1 117 . 3 1 1 A 14 14 ILE CB C 14 38.000 37.762 0.238 1
1 121 . 3 1 1 A 14 14 ILE N N 14 119.400 119.738 -0.338 1
1 122 . 3 1 1 A 15 15 GLU H H 15 7.700 8.319 -0.619 1
1 123 . 3 1 1 A 15 15 GLU HA H 15 4.110 3.943 0.167 1
1 128 . 3 1 1 A 15 15 GLU CA C 15 59.300 59.428 -0.128 1
1 129 . 3 1 1 A 15 15 GLU CB C 15 29.200 29.734 -0.534 1
1 131 . 3 1 1 A 15 15 GLU N N 15 119.000 120.858 -1.858 1
1 132 . 3 1 1 A 16 16 VAL H H 16 8.410 8.482 -0.072 1
1 133 . 3 1 1 A 16 16 VAL HA H 16 3.530 3.748 -0.218 1
1 141 . 3 1 1 A 16 16 VAL CA C 16 66.600 66.351 0.249 1
1 142 . 3 1 1 A 16 16 VAL CB C 16 31.900 31.617 0.283 1
1 145 . 3 1 1 A 16 16 VAL N N 16 119.500 119.773 -0.273 1
1 146 . 3 1 1 A 17 17 ALA H H 17 8.600 8.185 0.415 1
1 147 . 3 1 1 A 17 17 ALA HA H 17 4.080 4.029 0.051 1
1 151 . 3 1 1 A 17 17 ALA CA C 17 54.700 55.896 -1.196 1
1 152 . 3 1 1 A 17 17 ALA CB C 17 17.700 18.218 -0.518 1
1 153 . 3 1 1 A 17 17 ALA N N 17 123.100 122.102 0.998 1
1 154 . 3 1 1 A 18 18 GLU H H 18 8.850 8.382 0.468 1
1 155 . 3 1 1 A 18 18 GLU HA H 18 3.990 3.999 -0.009 1
1 160 . 3 1 1 A 18 18 GLU CA C 18 59.500 59.502 -0.002 1
1 161 . 3 1 1 A 18 18 GLU CB C 18 29.700 29.503 0.197 1
1 163 . 3 1 1 A 18 18 GLU N N 18 117.900 118.101 -0.201 1
1 164 . 3 1 1 A 19 19 LYS H H 19 8.750 8.571 0.179 1
1 165 . 3 1 1 A 19 19 LYS HA H 19 4.150 4.084 0.066 1
1 174 . 3 1 1 A 19 19 LYS CA C 19 58.700 59.138 -0.438 1
1 175 . 3 1 1 A 19 19 LYS CB C 19 31.900 32.160 -0.260 1
1 179 . 3 1 1 A 19 19 LYS N N 19 119.200 119.104 0.096 1
1 180 . 3 1 1 A 20 20 GLY H H 20 8.640 8.539 0.101 1
1 181 . 3 1 1 A 20 20 GLY HA2 H 20 3.790 3.823 -0.033 1
1 182 . 3 1 1 A 20 20 GLY HA3 H 20 3.500 3.862 -0.362 1
1 183 . 3 1 1 A 20 20 GLY CA C 20 46.400 47.147 -0.747 1
1 184 . 3 1 1 A 20 20 GLY N N 20 110.300 108.115 2.185 1
1 185 . 3 1 1 A 21 21 ALA H H 21 8.550 8.241 0.309 1
1 186 . 3 1 1 A 21 21 ALA HA H 21 4.490 4.425 0.065 1
1 190 . 3 1 1 A 21 21 ALA CA C 21 55.100 54.806 0.294 1
1 191 . 3 1 1 A 21 21 ALA CB C 21 17.300 18.925 -1.625 1
1 192 . 3 1 1 A 21 21 ALA N N 21 125.300 124.812 0.488 1
1 193 . 3 1 1 A 22 22 ASP H H 22 7.660 8.421 -0.761 1
1 194 . 3 1 1 A 22 22 ASP HA H 22 4.460 4.378 0.082 1
1 197 . 3 1 1 A 22 22 ASP CA C 22 56.900 57.314 -0.414 1
1 198 . 3 1 1 A 22 22 ASP CB C 22 40.500 41.510 -1.010 1
1 199 . 3 1 1 A 22 22 ASP N N 22 119.000 118.201 0.799 1
1 200 . 3 1 1 A 23 23 ARG H H 23 8.110 8.260 -0.150 1
1 201 . 3 1 1 A 23 23 ARG HA H 23 4.000 3.995 0.005 1
1 208 . 3 1 1 A 23 23 ARG CA C 23 59.200 58.971 0.229 1
1 209 . 3 1 1 A 23 23 ARG CB C 23 30.700 29.826 0.874 1
1 212 . 3 1 1 A 23 23 ARG N N 23 121.800 119.973 1.827 1
1 213 . 3 1 1 A 24 24 TYR H H 24 8.460 8.297 0.163 1
1 214 . 3 1 1 A 24 24 TYR HA H 24 3.780 3.947 -0.167 1
1 221 . 3 1 1 A 24 24 TYR CA C 24 60.900 61.391 -0.491 1
1 222 . 3 1 1 A 24 24 TYR CB C 24 39.400 38.089 1.311 1
1 225 . 3 1 1 A 24 24 TYR N N 24 120.400 120.561 -0.161 1
1 226 . 3 1 1 A 25 25 GLN H H 25 7.540 8.495 -0.955 1
1 227 . 3 1 1 A 25 25 GLN HA H 25 3.750 3.880 -0.130 1
1 232 . 3 1 1 A 25 25 GLN CA C 25 57.800 58.619 -0.819 1
1 233 . 3 1 1 A 25 25 GLN CB C 25 28.400 28.512 -0.112 1
1 235 . 3 1 1 A 25 25 GLN N N 25 117.500 118.394 -0.894 1
1 236 . 3 1 1 A 26 26 GLU H H 26 7.980 8.045 -0.065 1
1 237 . 3 1 1 A 26 26 GLU HA H 26 4.010 4.157 -0.147 1
1 242 . 3 1 1 A 26 26 GLU CA C 26 57.900 56.892 1.008 1
1 243 . 3 1 1 A 26 26 GLU CB C 26 29.700 29.650 0.050 1
1 245 . 3 1 1 A 26 26 GLU N N 26 117.900 116.639 1.261 1
1 246 . 3 1 1 A 32 32 HIS HA H 32 4.620 4.703 -0.083 1
1 249 . 3 1 1 A 32 32 HIS CA C 32 56.900 57.995 -1.095 1
1 250 . 3 1 1 A 32 32 HIS CB C 32 64.000 31.584 32.416 1
1 251 . 3 1 1 A 33 33 SER HA H 33 4.610 4.948 -0.338 1
1 254 . 3 1 1 A 33 33 SER CA C 33 56.900 58.045 -1.145 1
1 255 . 3 1 1 A 33 33 SER CB C 33 64.000 64.336 -0.336 1
1 256 . 3 1 1 A 34 34 TYR HA H 34 4.630 5.240 -0.610 1
1 263 . 3 1 1 A 34 34 TYR CA C 34 56.900 56.637 0.263 1
1 264 . 3 1 1 A 34 34 TYR CB C 34 40.700 40.201 0.499 1
1 267 . 3 1 1 A 36 36 PHE HA H 36 3.910 4.466 -0.556 1
1 275 . 3 1 1 A 36 36 PHE CA C 36 62.000 60.361 1.639 1
1 276 . 3 1 1 A 36 36 PHE CB C 36 39.200 38.717 0.483 1
1 280 . 3 1 1 A 37 37 PHE H H 37 8.090 8.966 -0.876 1
1 281 . 3 1 1 A 37 37 PHE HA H 37 3.980 4.091 -0.111 1
1 289 . 3 1 1 A 37 37 PHE CA C 37 61.600 58.492 3.108 1
1 290 . 3 1 1 A 37 37 PHE CB C 37 38.600 38.582 0.018 1
1 294 . 3 1 1 A 37 37 PHE N N 37 116.200 119.294 -3.094 1
1 295 . 3 1 1 A 38 38 GLU H H 38 9.000 7.912 1.088 1
1 296 . 3 1 1 A 38 38 GLU HA H 38 4.130 4.358 -0.228 1
1 301 . 3 1 1 A 38 38 GLU CA C 38 57.700 57.510 0.190 1
1 302 . 3 1 1 A 38 38 GLU CB C 38 30.600 31.373 -0.773 1
1 304 . 3 1 1 A 38 38 GLU N N 38 116.000 120.435 -4.435 1
1 305 . 3 1 1 A 39 39 THR H H 39 7.390 7.876 -0.486 1
1 306 . 3 1 1 A 39 39 THR HA H 39 4.280 3.967 0.313 1
1 311 . 3 1 1 A 39 39 THR CA C 39 64.100 66.556 -2.456 1
1 312 . 3 1 1 A 39 39 THR CB C 39 70.000 68.678 1.322 1
1 314 . 3 1 1 A 39 39 THR N N 39 110.400 114.144 -3.744 1
1 315 . 3 1 1 A 40 40 ILE H H 40 7.250 7.293 -0.043 1
1 316 . 3 1 1 A 40 40 ILE HA H 40 2.570 4.035 -1.465 1
1 326 . 3 1 1 A 40 40 ILE CA C 40 65.800 61.068 4.732 1
1 327 . 3 1 1 A 40 40 ILE CB C 40 37.300 35.934 1.366 1
1 331 . 3 1 1 A 40 40 ILE N N 40 120.900 119.421 1.479 1
1 332 . 3 1 1 A 41 41 LYS H H 41 8.400 8.000 0.400 1
1 333 . 3 1 1 A 41 41 LYS HA H 41 3.650 4.388 -0.738 1
1 336 . 3 1 1 A 41 41 LYS CA C 41 59.000 57.448 1.552 1
1 337 . 3 1 1 A 41 41 LYS CB C 41 29.700 34.283 -4.583 1
1 338 . 3 1 1 A 41 41 LYS N N 41 118.800 127.758 -8.958 1
1 339 . 3 1 1 A 42 42 PRO HA H 42 4.280 4.234 0.046 1
1 346 . 3 1 1 A 42 42 PRO CA C 42 65.300 66.236 -0.936 1
1 347 . 3 1 1 A 42 42 PRO CB C 42 30.200 30.594 -0.394 1
1 350 . 3 1 1 A 43 43 ALA H H 43 6.790 8.057 -1.267 1
1 351 . 3 1 1 A 43 43 ALA HA H 43 4.190 4.013 0.177 1
1 355 . 3 1 1 A 43 43 ALA CA C 43 54.900 55.265 -0.365 1
1 356 . 3 1 1 A 43 43 ALA CB C 43 18.000 18.320 -0.320 1
1 357 . 3 1 1 A 43 43 ALA N N 43 119.500 118.823 0.677 1
1 358 . 3 1 1 A 44 44 VAL H H 44 8.380 7.873 0.507 1
1 359 . 3 1 1 A 44 44 VAL HA H 44 3.460 3.437 0.023 1
1 367 . 3 1 1 A 44 44 VAL CA C 44 67.200 66.884 0.316 1
1 368 . 3 1 1 A 44 44 VAL CB C 44 31.500 31.541 -0.041 1
1 371 . 3 1 1 A 44 44 VAL N N 44 120.500 118.184 2.316 1
1 372 . 3 1 1 A 45 45 GLU H H 45 8.410 7.648 0.762 1
1 373 . 3 1 1 A 45 45 GLU HA H 45 4.060 4.035 0.025 1
1 378 . 3 1 1 A 45 45 GLU CA C 45 59.600 59.516 0.084 1
1 379 . 3 1 1 A 45 45 GLU CB C 45 29.300 29.399 -0.099 1
1 381 . 3 1 1 A 45 45 GLU N N 45 118.400 118.751 -0.351 1
1 382 . 3 1 1 A 46 46 GLU H H 46 8.390 8.155 0.235 1
1 383 . 3 1 1 A 46 46 GLU HA H 46 4.200 4.119 0.081 1
1 388 . 3 1 1 A 46 46 GLU CA C 46 58.900 58.885 0.015 1
1 389 . 3 1 1 A 46 46 GLU CB C 46 29.300 29.362 -0.062 1
1 391 . 3 1 1 A 46 46 GLU N N 46 118.800 120.832 -2.032 1
1 392 . 3 1 1 A 47 47 ASN H H 47 7.700 8.785 -1.085 1
1 393 . 3 1 1 A 47 47 ASN HA H 47 4.900 4.641 0.259 1
1 398 . 3 1 1 A 47 47 ASN CA C 47 57.100 55.825 1.275 1
1 399 . 3 1 1 A 47 47 ASN CB C 47 39.000 37.997 1.003 1
1 400 . 3 1 1 A 47 47 ASN N N 47 118.000 119.121 -1.121 1
1 402 . 3 1 1 A 48 48 ASP H H 48 8.810 8.168 0.642 1
1 403 . 3 1 1 A 48 48 ASP HA H 48 4.520 4.360 0.160 1
1 406 . 3 1 1 A 48 48 ASP CA C 48 57.800 57.729 0.071 1
1 407 . 3 1 1 A 48 48 ASP CB C 48 41.700 41.931 -0.231 1
1 408 . 3 1 1 A 48 48 ASP N N 48 124.000 119.270 4.730 1
1 409 . 3 1 1 A 49 49 GLU H H 49 7.310 7.959 -0.649 1
1 410 . 3 1 1 A 49 49 GLU HA H 49 4.070 4.076 -0.006 1
1 415 . 3 1 1 A 49 49 GLU CA C 49 59.500 59.235 0.265 1
1 416 . 3 1 1 A 49 49 GLU CB C 49 29.300 29.593 -0.293 1
1 418 . 3 1 1 A 49 49 GLU N N 49 117.600 118.036 -0.436 1
1 419 . 3 1 1 A 50 50 LEU H H 50 7.590 8.536 -0.946 1
1 420 . 3 1 1 A 50 50 LEU HA H 50 4.160 4.129 0.031 1
1 430 . 3 1 1 A 50 50 LEU CA C 50 58.000 58.206 -0.206 1
1 431 . 3 1 1 A 50 50 LEU CB C 50 41.800 41.681 0.119 1
1 435 . 3 1 1 A 50 50 LEU N N 50 119.500 122.134 -2.634 1
1 436 . 3 1 1 A 51 51 ALA H H 51 8.620 8.815 -0.195 1
1 437 . 3 1 1 A 51 51 ALA HA H 51 4.210 3.961 0.249 1
1 441 . 3 1 1 A 51 51 ALA CA C 51 54.900 55.031 -0.131 1
1 442 . 3 1 1 A 51 51 ALA CB C 51 18.600 18.428 0.172 1
1 443 . 3 1 1 A 51 51 ALA N N 51 118.900 120.622 -1.722 1
1 444 . 3 1 1 A 52 52 ALA H H 52 8.410 8.207 0.203 1
1 445 . 3 1 1 A 52 52 ALA HA H 52 4.210 4.098 0.112 1
1 449 . 3 1 1 A 52 52 ALA CA C 52 55.100 55.364 -0.264 1
1 450 . 3 1 1 A 52 52 ALA CB C 52 18.400 18.369 0.031 1
1 451 . 3 1 1 A 52 52 ALA N N 52 119.400 120.592 -1.192 1
1 452 . 3 1 1 A 53 53 ARG H H 53 8.070 8.275 -0.205 1
1 453 . 3 1 1 A 53 53 ARG HA H 53 4.130 4.083 0.047 1
1 460 . 3 1 1 A 53 53 ARG CA C 53 59.100 58.878 0.222 1
1 461 . 3 1 1 A 53 53 ARG CB C 53 30.900 29.926 0.974 1
1 464 . 3 1 1 A 53 53 ARG N N 53 119.500 118.872 0.628 1
1 465 . 3 1 1 A 54 54 TRP H H 54 9.270 8.320 0.950 1
1 466 . 3 1 1 A 54 54 TRP HA H 54 3.830 4.245 -0.415 1
1 475 . 3 1 1 A 54 54 TRP CA C 54 62.400 61.361 1.039 1
1 476 . 3 1 1 A 54 54 TRP CB C 54 29.200 29.186 0.014 1
1 482 . 3 1 1 A 54 54 TRP N N 54 124.000 122.293 1.707 1
1 484 . 3 1 1 A 55 55 ALA H H 55 8.810 8.703 0.107 1
1 485 . 3 1 1 A 55 55 ALA HA H 55 3.220 3.911 -0.691 1
1 489 . 3 1 1 A 55 55 ALA CA C 55 55.100 55.330 -0.230 1
1 490 . 3 1 1 A 55 55 ALA CB C 55 17.500 18.017 -0.517 1
1 491 . 3 1 1 A 55 55 ALA N N 55 120.800 121.696 -0.896 1
1 492 . 3 1 1 A 56 56 GLU H H 56 7.460 8.269 -0.809 1
1 493 . 3 1 1 A 56 56 GLU HA H 56 3.880 4.059 -0.179 1
1 498 . 3 1 1 A 56 56 GLU CA C 56 59.200 59.393 -0.193 1
1 499 . 3 1 1 A 56 56 GLU CB C 56 29.500 29.023 0.477 1
1 501 . 3 1 1 A 56 56 GLU N N 56 114.800 117.792 -2.992 1
1 502 . 3 1 1 A 57 57 GLY H H 57 7.650 8.462 -0.812 1
1 503 . 3 1 1 A 57 57 GLY HA2 H 57 3.490 3.748 -0.258 1
1 504 . 3 1 1 A 57 57 GLY HA3 H 57 3.850 3.787 0.063 1
1 505 . 3 1 1 A 57 57 GLY CA C 57 47.100 47.034 0.066 1
1 506 . 3 1 1 A 57 57 GLY N N 57 106.000 108.712 -2.712 1
1 507 . 3 1 1 A 58 58 ALA H H 58 8.950 8.114 0.836 1
1 508 . 3 1 1 A 58 58 ALA HA H 58 3.640 3.695 -0.055 1
1 512 . 3 1 1 A 58 58 ALA CA C 58 54.500 54.259 0.241 1
1 513 . 3 1 1 A 58 58 ALA CB C 58 16.700 17.974 -1.274 1
1 514 . 3 1 1 A 58 58 ALA N N 58 127.400 124.848 2.552 1
1 515 . 3 1 1 A 59 59 LEU H H 59 8.370 8.221 0.149 1
1 516 . 3 1 1 A 59 59 LEU HA H 59 3.920 3.842 0.078 1
1 526 . 3 1 1 A 59 59 LEU CA C 59 57.300 57.589 -0.289 1
1 527 . 3 1 1 A 59 59 LEU CB C 59 40.800 40.945 -0.145 1
1 531 . 3 1 1 A 59 59 LEU N N 59 116.800 119.622 -2.822 1
1 532 . 3 1 1 A 60 60 GLU H H 60 7.310 7.863 -0.553 1
1 533 . 3 1 1 A 60 60 GLU HA H 60 4.030 4.046 -0.016 1
1 538 . 3 1 1 A 60 60 GLU CA C 60 58.800 58.926 -0.126 1
1 539 . 3 1 1 A 60 60 GLU CB C 60 28.900 29.398 -0.498 1
1 541 . 3 1 1 A 60 60 GLU N N 60 119.000 120.878 -1.878 1
1 542 . 3 1 1 A 61 61 LEU H H 61 7.700 8.280 -0.580 1
1 543 . 3 1 1 A 61 61 LEU HA H 61 4.000 4.019 -0.019 1
1 553 . 3 1 1 A 61 61 LEU CA C 61 58.100 57.868 0.232 1
1 554 . 3 1 1 A 61 61 LEU CB C 61 41.400 41.770 -0.370 1
1 558 . 3 1 1 A 61 61 LEU N N 61 120.800 119.941 0.859 1
1 559 . 3 1 1 A 62 62 ILE H H 62 7.510 8.167 -0.657 1
1 560 . 3 1 1 A 62 62 ILE HA H 62 4.040 3.968 0.072 1
1 570 . 3 1 1 A 62 62 ILE CA C 62 63.200 63.621 -0.421 1
1 571 . 3 1 1 A 62 62 ILE CB C 62 37.200 37.379 -0.179 1
1 575 . 3 1 1 A 62 62 ILE N N 62 110.700 114.337 -3.637 1
1 576 . 3 1 1 A 63 63 LYS H H 63 7.520 7.813 -0.293 1
1 577 . 3 1 1 A 63 63 LYS HA H 63 4.070 3.991 0.079 1
1 586 . 3 1 1 A 63 63 LYS CA C 63 58.600 58.999 -0.399 1
1 587 . 3 1 1 A 63 63 LYS CB C 63 32.800 31.850 0.950 1
1 590 . 3 1 1 A 63 63 LYS N N 63 121.100 121.526 -0.426 1
1 591 . 3 1 1 A 64 64 VAL H H 64 7.630 7.398 0.232 1
1 592 . 3 1 1 A 64 64 VAL HA H 64 3.950 3.783 0.167 1
1 600 . 3 1 1 A 64 64 VAL CA C 64 63.900 65.451 -1.551 1
1 601 . 3 1 1 A 64 64 VAL CB C 64 32.400 32.061 0.339 1
1 604 . 3 1 1 A 64 64 VAL N N 64 115.200 120.243 -5.043 1
1 605 . 3 1 1 A 65 65 ARG H H 65 7.980 8.201 -0.221 1
1 606 . 3 1 1 A 65 65 ARG HA H 65 4.390 4.300 0.090 1
1 613 . 3 1 1 A 65 65 ARG CA C 65 55.200 56.753 -1.553 1
1 614 . 3 1 1 A 65 65 ARG CB C 65 31.500 30.657 0.843 1
1 617 . 3 1 1 A 65 65 ARG N N 65 118.300 119.447 -1.147 1
1 618 . 3 1 1 A 66 66 ARG HA H 66 4.340 4.631 -0.291 1
1 621 . 3 1 1 A 66 66 ARG CA C 66 54.900 57.281 -2.381 1
1 622 . 3 1 1 A 66 66 ARG CB C 66 29.200 29.397 -0.197 1
1 629 . 3 1 1 A 68 68 LYS HA H 68 4.100 4.350 -0.250 1
1 638 . 3 1 1 A 68 68 LYS CA C 68 57.900 57.675 0.225 1
1 639 . 3 1 1 A 68 68 LYS CB C 68 34.100 33.721 0.379 1
1 643 . 3 1 1 A 69 69 TYR HA H 69 4.760 4.457 0.303 1
1 650 . 3 1 1 A 69 69 TYR CA C 69 57.800 60.329 -2.529 1
1 651 . 3 1 1 A 69 69 TYR CB C 69 39.600 39.373 0.227 1
1 654 . 3 1 1 A 70 70 VAL H H 70 6.950 7.849 -0.899 1
1 655 . 3 1 1 A 70 70 VAL HA H 70 4.720 4.195 0.525 1
1 663 . 3 1 1 A 70 70 VAL CA C 70 60.000 61.828 -1.828 1
1 664 . 3 1 1 A 70 70 VAL CB C 70 34.500 33.057 1.443 1
1 667 . 3 1 1 A 70 70 VAL N N 70 115.400 118.234 -2.834 1
1 668 . 3 1 1 A 71 71 HIS H H 71 7.870 8.591 -0.721 1
1 669 . 3 1 1 A 71 71 HIS HA H 71 4.910 5.025 -0.115 1
1 673 . 3 1 1 A 71 71 HIS CA C 71 54.100 54.150 -0.050 1
1 674 . 3 1 1 A 71 71 HIS CB C 71 33.700 32.471 1.229 1
1 676 . 3 1 1 A 71 71 HIS N N 71 120.600 126.497 -5.897 1
1 677 . 3 1 1 A 72 72 LYS H H 72 8.400 8.445 -0.045 1
1 678 . 3 1 1 A 72 72 LYS HA H 72 3.680 3.739 -0.059 1
1 687 . 3 1 1 A 72 72 LYS CA C 72 60.600 60.094 0.506 1
1 688 . 3 1 1 A 72 72 LYS CB C 72 32.800 31.857 0.943 1
1 692 . 3 1 1 A 73 73 GLU H H 73 9.680 8.401 1.279 1
1 693 . 3 1 1 A 73 73 GLU HA H 73 4.170 4.025 0.145 1
1 698 . 3 1 1 A 73 73 GLU CA C 73 60.000 59.555 0.445 1
1 699 . 3 1 1 A 73 73 GLU CB C 73 28.300 29.484 -1.184 1
1 701 . 3 1 1 A 73 73 GLU N N 73 117.300 118.241 -0.941 1
1 702 . 3 1 1 A 74 74 GLN H H 74 7.360 7.941 -0.581 1
1 703 . 3 1 1 A 74 74 GLN HA H 74 4.180 4.128 0.052 1
1 710 . 3 1 1 A 74 74 GLN CA C 74 58.300 58.535 -0.235 1
1 711 . 3 1 1 A 74 74 GLN CB C 74 28.300 28.483 -0.183 1
1 713 . 3 1 1 A 74 74 GLN N N 74 117.700 120.216 -2.516 1
1 715 . 3 1 1 A 75 75 ILE H H 75 7.530 7.751 -0.221 1
1 716 . 3 1 1 A 75 75 ILE HA H 75 3.780 3.822 -0.042 1
1 726 . 3 1 1 A 75 75 ILE CA C 75 64.100 65.622 -1.522 1
1 727 . 3 1 1 A 75 75 ILE CB C 75 36.800 37.713 -0.913 1
1 731 . 3 1 1 A 75 75 ILE N N 75 120.600 121.205 -0.605 1
1 732 . 3 1 1 A 76 76 GLU H H 76 8.340 7.803 0.537 1
1 733 . 3 1 1 A 76 76 GLU HA H 76 3.970 4.162 -0.192 1
1 738 . 3 1 1 A 76 76 GLU CA C 76 59.200 59.319 -0.119 1
1 739 . 3 1 1 A 76 76 GLU CB C 76 29.700 28.329 1.371 1
1 741 . 3 1 1 A 76 76 GLU N N 76 117.500 119.977 -2.477 1
1 742 . 3 1 1 A 77 77 ALA H H 77 7.390 7.931 -0.541 1
1 743 . 3 1 1 A 77 77 ALA HA H 77 4.370 4.180 0.190 1
1 747 . 3 1 1 A 77 77 ALA CA C 77 53.400 54.911 -1.511 1
1 748 . 3 1 1 A 77 77 ALA CB C 77 18.800 18.673 0.127 1
1 749 . 3 1 1 A 77 77 ALA N N 77 118.600 123.357 -4.757 1
1 750 . 3 1 1 A 78 78 VAL H H 78 7.620 8.538 -0.918 1
1 751 . 3 1 1 A 78 78 VAL HA H 78 3.720 3.520 0.200 1
1 759 . 3 1 1 A 78 78 VAL CA C 78 66.700 67.088 -0.388 1
1 760 . 3 1 1 A 78 78 VAL CB C 78 31.500 31.559 -0.059 1
1 763 . 3 1 1 A 78 78 VAL N N 78 116.800 118.719 -1.919 1
1 764 . 3 1 1 A 79 79 LYS H H 79 8.570 7.737 0.833 1
1 765 . 3 1 1 A 79 79 LYS HA H 79 3.780 4.053 -0.273 1
1 774 . 3 1 1 A 79 79 LYS CA C 79 61.800 59.937 1.863 1
1 775 . 3 1 1 A 79 79 LYS CB C 79 31.500 32.499 -0.999 1
1 779 . 3 1 1 A 79 79 LYS N N 79 119.500 120.353 -0.853 1
1 780 . 3 1 1 A 80 80 ASP H H 80 8.350 8.121 0.229 1
1 781 . 3 1 1 A 80 80 ASP HA H 80 4.490 4.474 0.016 1
1 784 . 3 1 1 A 80 80 ASP CA C 80 57.300 57.721 -0.421 1
1 785 . 3 1 1 A 80 80 ASP CB C 80 40.000 41.349 -1.349 1
1 786 . 3 1 1 A 80 80 ASP N N 80 115.500 119.835 -4.335 1
1 787 . 3 1 1 A 81 81 ASN H H 81 7.690 8.563 -0.873 1
1 788 . 3 1 1 A 81 81 ASN HA H 81 4.540 4.495 0.045 1
1 793 . 3 1 1 A 81 81 ASN CA C 81 55.500 56.422 -0.922 1
1 794 . 3 1 1 A 81 81 ASN CB C 81 38.600 37.815 0.785 1
1 795 . 3 1 1 A 81 81 ASN N N 81 118.300 117.340 0.960 1
1 797 . 3 1 1 A 82 82 PHE H H 82 9.620 8.536 1.084 1
1 798 . 3 1 1 A 82 82 PHE HA H 82 4.060 4.077 -0.017 1
1 806 . 3 1 1 A 82 82 PHE CA C 82 60.900 61.771 -0.871 1
1 807 . 3 1 1 A 82 82 PHE CB C 82 39.500 39.438 0.062 1
1 811 . 3 1 1 A 82 82 PHE N N 82 121.400 122.778 -1.378 1
1 812 . 3 1 1 A 83 83 LEU H H 83 8.210 8.433 -0.223 1
1 813 . 3 1 1 A 83 83 LEU HA H 83 3.900 3.870 0.030 1
1 823 . 3 1 1 A 83 83 LEU CA C 83 57.000 57.963 -0.963 1
1 824 . 3 1 1 A 83 83 LEU CB C 83 40.400 41.443 -1.043 1
1 828 . 3 1 1 A 83 83 LEU N N 83 117.400 119.051 -1.651 1
1 829 . 3 1 1 A 84 84 GLU H H 84 7.660 8.166 -0.506 1
1 830 . 3 1 1 A 84 84 GLU HA H 84 4.150 4.057 0.093 1
1 835 . 3 1 1 A 84 84 GLU CA C 84 59.500 59.343 0.157 1
1 836 . 3 1 1 A 84 84 GLU CB C 84 28.700 29.512 -0.812 1
1 838 . 3 1 1 A 84 84 GLU N N 84 121.500 120.126 1.374 1
1 839 . 3 1 1 A 85 85 LEU H H 85 8.100 8.325 -0.225 1
1 840 . 3 1 1 A 85 85 LEU HA H 85 3.600 3.927 -0.327 1
1 850 . 3 1 1 A 85 85 LEU CA C 85 59.300 58.266 1.034 1
1 851 . 3 1 1 A 85 85 LEU CB C 85 41.800 41.371 0.429 1
1 855 . 3 1 1 A 85 85 LEU N N 85 121.700 121.142 0.558 1
1 856 . 3 1 1 A 86 86 VAL H H 86 8.220 8.181 0.039 1
1 857 . 3 1 1 A 86 86 VAL HA H 86 3.100 3.430 -0.330 1
1 865 . 3 1 1 A 86 86 VAL CA C 86 67.200 66.928 0.272 1
1 866 . 3 1 1 A 86 86 VAL CB C 86 31.500 31.352 0.148 1
1 869 . 3 1 1 A 86 86 VAL N N 86 118.400 118.954 -0.554 1
1 870 . 3 1 1 A 87 87 LEU H H 87 8.450 8.150 0.300 1
1 871 . 3 1 1 A 87 87 LEU HA H 87 3.960 4.074 -0.114 1
1 881 . 3 1 1 A 87 87 LEU CA C 87 59.100 58.632 0.468 1
1 882 . 3 1 1 A 87 87 LEU CB C 87 42.300 41.888 0.412 1
1 886 . 3 1 1 A 87 87 LEU N N 87 120.200 120.043 0.157 1
1 887 . 3 1 1 A 88 88 GLN H H 88 9.350 8.857 0.493 1
1 888 . 3 1 1 A 88 88 GLN HA H 88 4.180 3.526 0.654 1
1 895 . 3 1 1 A 88 88 GLN CA C 88 57.300 57.880 -0.580 1
1 896 . 3 1 1 A 88 88 GLN CB C 88 25.400 27.294 -1.894 1
1 898 . 3 1 1 A 88 88 GLN N N 88 114.900 117.346 -2.446 1
1 900 . 3 1 1 A 89 89 SER H H 89 8.680 7.587 1.093 1
1 901 . 3 1 1 A 89 89 SER HA H 89 4.080 4.053 0.027 1
1 904 . 3 1 1 A 89 89 SER CA C 89 61.900 61.105 0.795 1
1 905 . 3 1 1 A 89 89 SER CB C 89 62.200 62.788 -0.588 1
1 906 . 3 1 1 A 89 89 SER N N 89 117.500 115.862 1.638 1
1 907 . 3 1 1 A 90 90 TYR H H 90 7.330 7.167 0.163 1
1 908 . 3 1 1 A 90 90 TYR HA H 90 4.320 4.196 0.124 1
1 915 . 3 1 1 A 90 90 TYR CA C 90 59.700 59.979 -0.279 1
1 916 . 3 1 1 A 90 90 TYR CB C 90 41.400 39.178 2.222 1
1 919 . 3 1 1 A 90 90 TYR N N 90 116.000 119.268 -3.268 1
1 920 . 3 1 1 A 91 91 VAL H H 91 7.730 7.741 -0.011 1
1 921 . 3 1 1 A 91 91 VAL HA H 91 4.010 4.029 -0.019 1
1 929 . 3 1 1 A 91 91 VAL CA C 91 62.600 64.683 -2.083 1
1 930 . 3 1 1 A 91 91 VAL CB C 91 32.700 32.708 -0.008 1
1 933 . 3 1 1 A 91 91 VAL N N 91 110.500 115.082 -4.582 1
1 934 . 3 1 1 A 92 92 HIS H H 92 8.600 7.669 0.931 1
1 935 . 3 1 1 A 92 92 HIS HA H 92 4.280 4.408 -0.128 1
1 939 . 3 1 1 A 92 92 HIS CA C 92 56.000 56.867 -0.867 1
1 940 . 3 1 1 A 92 92 HIS CB C 92 29.200 26.600 2.600 1
1 942 . 3 1 1 A 92 92 HIS N N 92 114.500 116.014 -1.514 1
1 943 . 3 1 1 A 93 93 HIS H H 93 8.350 8.072 0.278 1
1 944 . 3 1 1 A 93 93 HIS HA H 93 4.780 4.593 0.187 1
1 948 . 3 1 1 A 93 93 HIS CA C 93 57.600 56.122 1.478 1
1 949 . 3 1 1 A 93 93 HIS CB C 93 31.900 30.720 1.180 1
1 951 . 3 1 1 A 93 93 HIS N N 93 118.200 114.884 3.316 1
1 952 . 3 1 1 A 94 94 ILE H H 94 7.470 7.654 -0.184 1
1 953 . 3 1 1 A 94 94 ILE HA H 94 4.370 4.901 -0.531 1
1 963 . 3 1 1 A 94 94 ILE CA C 94 60.900 58.959 1.941 1
1 964 . 3 1 1 A 94 94 ILE CB C 94 39.600 42.014 -2.414 1
1 968 . 3 1 1 A 94 94 ILE N N 94 111.400 116.006 -4.606 1
1 969 . 3 1 1 A 95 95 HIS H H 95 6.990 8.813 -1.823 1
1 970 . 3 1 1 A 96 96 LYS HA H 96 4.040 4.248 -0.208 1
1 977 . 3 1 1 A 97 97 LYS HA H 97 4.130 4.015 0.115 1
1 986 . 3 1 1 A 97 97 LYS CA C 97 59.400 59.356 0.044 1
1 987 . 3 1 1 A 97 97 LYS CB C 97 32.000 32.090 -0.090 1
1 991 . 3 1 1 A 98 98 ARG H H 98 7.150 7.858 -0.708 1
1 992 . 3 1 1 A 98 98 ARG HA H 98 4.150 3.966 0.184 1
1 999 . 3 1 1 A 98 98 ARG CA C 98 57.900 59.074 -1.174 1
1 1000 . 3 1 1 A 98 98 ARG CB C 98 28.600 29.744 -1.144 1
1 1003 . 3 1 1 A 98 98 ARG N N 98 118.500 119.765 -1.265 1
1 1004 . 3 1 1 A 99 99 PHE H H 99 8.260 7.785 0.475 1
1 1005 . 3 1 1 A 99 99 PHE HA H 99 3.450 3.966 -0.516 1
1 1013 . 3 1 1 A 99 99 PHE CA C 99 62.700 61.154 1.546 1
1 1014 . 3 1 1 A 99 99 PHE CB C 99 39.200 38.921 0.279 1
1 1018 . 3 1 1 A 99 99 PHE N N 99 119.100 120.433 -1.333 1
1 1019 . 3 1 1 A 100 100 LYS H H 100 8.500 8.088 0.412 1
1 1020 . 3 1 1 A 100 100 LYS HA H 100 3.980 3.881 0.099 1
1 1029 . 3 1 1 A 100 100 LYS CA C 100 59.300 59.936 -0.636 1
1 1030 . 3 1 1 A 100 100 LYS CB C 100 31.900 32.595 -0.695 1
1 1034 . 3 1 1 A 100 100 LYS N N 100 121.700 119.088 2.612 1
1 1035 . 3 1 1 A 101 101 ASP H H 101 8.150 8.049 0.101 1
1 1036 . 3 1 1 A 101 101 ASP HA H 101 4.290 4.272 0.018 1
1 1039 . 3 1 1 A 101 101 ASP CA C 101 57.300 57.657 -0.357 1
1 1040 . 3 1 1 A 101 101 ASP CB C 101 39.900 41.693 -1.793 1
1 1041 . 3 1 1 A 101 101 ASP N N 101 119.800 119.569 0.231 1
1 1042 . 3 1 1 A 102 102 ILE H H 102 8.220 7.754 0.466 1
1 1043 . 3 1 1 A 102 102 ILE HA H 102 3.690 3.555 0.135 1
1 1053 . 3 1 1 A 102 102 ILE CA C 102 65.000 65.115 -0.115 1
1 1054 . 3 1 1 A 102 102 ILE CB C 102 37.700 37.336 0.364 1
1 1058 . 3 1 1 A 102 102 ILE N N 102 118.800 118.768 0.032 1
1 1059 . 3 1 1 A 103 103 THR H H 103 7.930 7.968 -0.038 1
1 1060 . 3 1 1 A 103 103 THR HA H 103 3.480 3.664 -0.184 1
1 1066 . 3 1 1 A 103 103 THR CA C 103 67.300 66.977 0.323 1
1 1067 . 3 1 1 A 103 103 THR CB C 103 67.700 68.013 -0.313 1
1 1069 . 3 1 1 A 103 103 THR N N 103 117.900 116.920 0.980 1
1 1070 . 3 1 1 A 104 104 GLU H H 104 8.470 8.501 -0.031 1
1 1071 . 3 1 1 A 104 104 GLU HA H 104 3.920 3.984 -0.064 1
1 1076 . 3 1 1 A 104 104 GLU CA C 104 59.500 59.516 -0.016 1
1 1077 . 3 1 1 A 104 104 GLU CB C 104 29.200 29.180 0.020 1
1 1079 . 3 1 1 A 104 104 GLU N N 104 118.900 122.350 -3.450 1
1 1080 . 3 1 1 A 105 105 SER H H 105 7.840 7.978 -0.138 1
1 1081 . 3 1 1 A 105 105 SER HA H 105 4.290 4.278 0.012 1
1 1084 . 3 1 1 A 105 105 SER CA C 105 60.900 61.650 -0.750 1
1 1085 . 3 1 1 A 105 105 SER CB C 105 62.700 62.926 -0.226 1
1 1086 . 3 1 1 A 105 105 SER N N 105 114.200 114.622 -0.422 1
1 1087 . 3 1 1 A 106 106 VAL H H 106 8.290 8.007 0.283 1
1 1088 . 3 1 1 A 106 106 VAL HA H 106 3.690 3.648 0.042 1
1 1096 . 3 1 1 A 106 106 VAL CA C 106 66.300 66.965 -0.665 1
1 1097 . 3 1 1 A 106 106 VAL CB C 106 31.900 31.823 0.077 1
1 1100 . 3 1 1 A 106 106 VAL N N 106 122.100 121.059 1.041 1
1 1101 . 3 1 1 A 107 107 LEU H H 107 8.560 8.573 -0.013 1
1 1102 . 3 1 1 A 107 107 LEU HA H 107 3.900 3.982 -0.082 1
1 1112 . 3 1 1 A 107 107 LEU CA C 107 58.300 58.145 0.155 1
1 1113 . 3 1 1 A 107 107 LEU CB C 107 41.200 41.587 -0.387 1
1 1117 . 3 1 1 A 107 107 LEU N N 107 117.500 119.448 -1.948 1
1 1118 . 3 1 1 A 108 108 TYR H H 108 8.450 8.822 -0.372 1
1 1119 . 3 1 1 A 108 108 TYR HA H 108 4.170 4.082 0.088 1
1 1126 . 3 1 1 A 108 108 TYR CA C 108 61.800 62.117 -0.317 1
1 1127 . 3 1 1 A 108 108 TYR CB C 108 37.900 38.644 -0.744 1
1 1130 . 3 1 1 A 108 108 TYR N N 108 119.000 119.498 -0.498 1
1 1131 . 3 1 1 A 109 109 THR H H 109 7.800 8.127 -0.327 1
1 1132 . 3 1 1 A 109 109 THR HA H 109 3.860 3.906 -0.046 1
1 1137 . 3 1 1 A 109 109 THR CA C 109 66.800 67.341 -0.541 1
1 1138 . 3 1 1 A 109 109 THR CB C 109 67.800 68.387 -0.587 1
1 1140 . 3 1 1 A 109 109 THR N N 109 116.500 115.542 0.958 1
1 1141 . 3 1 1 A 110 110 LEU H H 110 8.510 8.654 -0.144 1
1 1142 . 3 1 1 A 110 110 LEU HA H 110 3.900 3.998 -0.098 1
1 1152 . 3 1 1 A 110 110 LEU CA C 110 58.500 57.847 0.653 1
1 1153 . 3 1 1 A 110 110 LEU CB C 110 41.300 41.708 -0.408 1
1 1157 . 3 1 1 A 110 110 LEU N N 110 121.000 120.713 0.287 1
1 1158 . 3 1 1 A 111 111 HIS H H 111 8.440 8.287 0.153 1
1 1159 . 3 1 1 A 111 111 HIS HA H 111 4.000 4.153 -0.153 1
1 1163 . 3 1 1 A 111 111 HIS CA C 111 60.900 60.328 0.572 1
1 1164 . 3 1 1 A 111 111 HIS CB C 111 29.700 29.176 0.524 1
1 1166 . 3 1 1 A 111 111 HIS N N 111 116.300 117.691 -1.391 1
1 1167 . 3 1 1 A 112 112 ALA H H 112 7.920 7.904 0.016 1
1 1168 . 3 1 1 A 112 112 ALA HA H 112 4.130 3.665 0.465 1
1 1172 . 3 1 1 A 112 112 ALA CA C 112 55.000 54.901 0.099 1
1 1173 . 3 1 1 A 112 112 ALA CB C 112 17.600 18.116 -0.516 1
1 1174 . 3 1 1 A 112 112 ALA N N 112 122.900 122.203 0.697 1
1 1175 . 3 1 1 A 113 113 VAL H H 113 8.300 7.997 0.303 1
1 1176 . 3 1 1 A 113 113 VAL HA H 113 3.540 3.520 0.020 1
1 1184 . 3 1 1 A 113 113 VAL CA C 113 67.200 66.872 0.328 1
1 1185 . 3 1 1 A 113 113 VAL CB C 113 31.000 31.674 -0.674 1
1 1188 . 3 1 1 A 113 113 VAL N N 113 119.000 118.617 0.383 1
1 1189 . 3 1 1 A 114 114 LYS H H 114 8.220 8.115 0.105 1
1 1190 . 3 1 1 A 114 114 LYS HA H 114 3.810 3.924 -0.114 1
1 1199 . 3 1 1 A 114 114 LYS CA C 114 60.800 59.110 1.690 1
1 1200 . 3 1 1 A 114 114 LYS CB C 114 31.500 31.931 -0.431 1
1 1204 . 3 1 1 A 114 114 LYS N N 114 120.600 120.223 0.377 1
1 1205 . 3 1 1 A 115 115 ASP H H 115 8.180 7.755 0.425 1
1 1206 . 3 1 1 A 115 115 ASP HA H 115 4.300 4.270 0.030 1
1 1209 . 3 1 1 A 115 115 ASP CA C 115 56.800 57.203 -0.403 1
1 1210 . 3 1 1 A 115 115 ASP CB C 115 39.600 40.514 -0.914 1
1 1211 . 3 1 1 A 115 115 ASP N N 115 118.800 118.659 0.141 1
1 1212 . 3 1 1 A 116 116 GLU H H 116 7.990 7.956 0.034 1
1 1213 . 3 1 1 A 116 116 GLU HA H 116 4.060 4.236 -0.176 1
1 1218 . 3 1 1 A 116 116 GLU CA C 116 58.400 59.227 -0.827 1
1 1219 . 3 1 1 A 116 116 GLU CB C 116 29.000 29.723 -0.723 1
1 1221 . 3 1 1 A 116 116 GLU N N 116 120.800 119.352 1.448 1
1 1222 . 3 1 1 A 117 117 ILE H H 117 8.370 8.114 0.256 1
1 1223 . 3 1 1 A 117 117 ILE HA H 117 3.610 3.749 -0.139 1
1 1233 . 3 1 1 A 117 117 ILE CA C 117 64.800 65.316 -0.516 1
1 1234 . 3 1 1 A 117 117 ILE CB C 117 38.600 37.982 0.618 1
1 1238 . 3 1 1 A 117 117 ILE N N 117 119.700 119.926 -0.226 1
1 1239 . 3 1 1 A 118 118 ALA H H 118 7.720 7.853 -0.133 1
1 1240 . 3 1 1 A 118 118 ALA HA H 118 4.250 4.083 0.167 1
1 1244 . 3 1 1 A 118 118 ALA CA C 118 52.900 54.936 -2.036 1
1 1245 . 3 1 1 A 118 118 ALA CB C 118 18.700 18.009 0.691 1
1 1246 . 3 1 1 A 118 118 ALA N N 118 119.900 122.244 -2.344 1
1 1247 . 3 1 1 A 119 119 ARG H H 119 7.450 8.058 -0.608 1
1 1248 . 3 1 1 A 119 119 ARG HA H 119 4.110 4.137 -0.027 1
1 1255 . 3 1 1 A 119 119 ARG CA C 119 57.600 58.531 -0.931 1
1 1256 . 3 1 1 A 119 119 ARG CB C 119 31.000 30.206 0.794 1
1 1259 . 3 1 1 A 119 119 ARG N N 119 118.400 118.704 -0.304 1
1 1260 . 3 1 1 A 120 120 GLU H H 120 8.890 7.527 1.363 1
1 1261 . 3 1 1 A 120 120 GLU HA H 120 4.280 4.391 -0.111 1
1 1266 . 3 1 1 A 120 120 GLU CA C 120 57.600 57.779 -0.179 1
1 1267 . 3 1 1 A 120 120 GLU CB C 120 30.100 30.221 -0.121 1
1 1269 . 3 1 1 A 120 120 GLU N N 120 114.900 119.151 -4.251 1
1 1 . 4 1 1 A 6 6 LEU HA H 6 4.230 4.207 0.023 1
1 11 . 4 1 1 A 6 6 LEU CA C 6 58.000 56.679 1.321 1
1 12 . 4 1 1 A 6 6 LEU CB C 6 40.900 43.100 -2.200 1
1 16 . 4 1 1 A 7 7 LEU H H 7 8.970 7.697 1.273 1
1 17 . 4 1 1 A 7 7 LEU HA H 7 3.970 4.143 -0.173 1
1 27 . 4 1 1 A 7 7 LEU CA C 7 58.500 57.654 0.846 1
1 28 . 4 1 1 A 7 7 LEU CB C 7 41.000 42.080 -1.080 1
1 32 . 4 1 1 A 7 7 LEU N N 7 124.300 120.327 3.973 1
1 33 . 4 1 1 A 8 8 GLU H H 8 7.910 8.295 -0.385 1
1 34 . 4 1 1 A 8 8 GLU HA H 8 4.040 4.074 -0.034 1
1 39 . 4 1 1 A 8 8 GLU CA C 8 59.500 59.224 0.276 1
1 40 . 4 1 1 A 8 8 GLU CB C 8 29.200 29.337 -0.137 1
1 42 . 4 1 1 A 8 8 GLU N N 8 119.000 117.484 1.516 1
1 43 . 4 1 1 A 9 9 MET H H 9 8.520 8.178 0.342 1
1 44 . 4 1 1 A 9 9 MET HA H 9 4.030 4.210 -0.180 1
1 52 . 4 1 1 A 9 9 MET CA C 9 59.900 58.333 1.567 1
1 53 . 4 1 1 A 9 9 MET CB C 9 36.000 33.447 2.553 1
1 56 . 4 1 1 A 9 9 MET N N 9 117.500 119.000 -1.500 1
1 57 . 4 1 1 A 10 10 THR H H 10 8.470 8.024 0.446 1
1 58 . 4 1 1 A 10 10 THR HA H 10 3.550 3.839 -0.289 1
1 64 . 4 1 1 A 10 10 THR CA C 10 67.200 67.387 -0.187 1
1 65 . 4 1 1 A 10 10 THR CB C 10 68.500 68.448 0.052 1
1 67 . 4 1 1 A 10 10 THR N N 10 116.600 115.866 0.734 1
1 68 . 4 1 1 A 11 11 GLU H H 11 8.500 9.073 -0.573 1
1 69 . 4 1 1 A 11 11 GLU HA H 11 3.910 3.841 0.069 1
1 74 . 4 1 1 A 11 11 GLU CA C 11 59.400 59.955 -0.555 1
1 75 . 4 1 1 A 11 11 GLU CB C 11 29.200 29.242 -0.042 1
1 77 . 4 1 1 A 11 11 GLU N N 11 119.400 119.261 0.139 1
1 78 . 4 1 1 A 12 12 GLN H H 12 8.140 8.045 0.095 1
1 79 . 4 1 1 A 12 12 GLN HA H 12 4.100 4.076 0.024 1
1 86 . 4 1 1 A 12 12 GLN CA C 12 59.000 58.493 0.507 1
1 87 . 4 1 1 A 12 12 GLN CB C 12 27.800 28.515 -0.715 1
1 89 . 4 1 1 A 12 12 GLN N N 12 120.400 119.827 0.573 1
1 91 . 4 1 1 A 13 13 MET H H 13 8.120 7.928 0.192 1
1 92 . 4 1 1 A 13 13 MET HA H 13 3.710 4.083 -0.373 1
1 100 . 4 1 1 A 13 13 MET CA C 13 59.600 57.949 1.651 1
1 101 . 4 1 1 A 13 13 MET CB C 13 33.300 31.748 1.552 1
1 104 . 4 1 1 A 13 13 MET N N 13 118.500 118.615 -0.115 1
1 105 . 4 1 1 A 14 14 ILE H H 14 8.040 8.335 -0.295 1
1 106 . 4 1 1 A 14 14 ILE HA H 14 3.270 3.524 -0.254 1
1 116 . 4 1 1 A 14 14 ILE CA C 14 65.700 65.156 0.544 1
1 117 . 4 1 1 A 14 14 ILE CB C 14 38.000 37.824 0.176 1
1 121 . 4 1 1 A 14 14 ILE N N 14 119.400 119.493 -0.093 1
1 122 . 4 1 1 A 15 15 GLU H H 15 7.700 7.984 -0.284 1
1 123 . 4 1 1 A 15 15 GLU HA H 15 4.110 4.000 0.110 1
1 128 . 4 1 1 A 15 15 GLU CA C 15 59.300 59.296 0.004 1
1 129 . 4 1 1 A 15 15 GLU CB C 15 29.200 29.770 -0.570 1
1 131 . 4 1 1 A 15 15 GLU N N 15 119.000 120.976 -1.976 1
1 132 . 4 1 1 A 16 16 VAL H H 16 8.410 8.341 0.069 1
1 133 . 4 1 1 A 16 16 VAL HA H 16 3.530 3.673 -0.143 1
1 141 . 4 1 1 A 16 16 VAL CA C 16 66.600 66.404 0.196 1
1 142 . 4 1 1 A 16 16 VAL CB C 16 31.900 31.659 0.241 1
1 145 . 4 1 1 A 16 16 VAL N N 16 119.500 119.882 -0.382 1
1 146 . 4 1 1 A 17 17 ALA H H 17 8.600 8.240 0.360 1
1 147 . 4 1 1 A 17 17 ALA HA H 17 4.080 4.017 0.063 1
1 151 . 4 1 1 A 17 17 ALA CA C 17 54.700 55.816 -1.116 1
1 152 . 4 1 1 A 17 17 ALA CB C 17 17.700 18.306 -0.606 1
1 153 . 4 1 1 A 17 17 ALA N N 17 123.100 122.157 0.943 1
1 154 . 4 1 1 A 18 18 GLU H H 18 8.850 8.263 0.587 1
1 155 . 4 1 1 A 18 18 GLU HA H 18 3.990 3.968 0.022 1
1 160 . 4 1 1 A 18 18 GLU CA C 18 59.500 59.685 -0.185 1
1 161 . 4 1 1 A 18 18 GLU CB C 18 29.700 29.157 0.543 1
1 163 . 4 1 1 A 18 18 GLU N N 18 117.900 118.359 -0.459 1
1 164 . 4 1 1 A 19 19 LYS H H 19 8.750 8.679 0.071 1
1 165 . 4 1 1 A 19 19 LYS HA H 19 4.150 4.113 0.037 1
1 174 . 4 1 1 A 19 19 LYS CA C 19 58.700 58.902 -0.202 1
1 175 . 4 1 1 A 19 19 LYS CB C 19 31.900 32.214 -0.314 1
1 179 . 4 1 1 A 19 19 LYS N N 19 119.200 118.841 0.359 1
1 180 . 4 1 1 A 20 20 GLY H H 20 8.640 8.494 0.146 1
1 181 . 4 1 1 A 20 20 GLY HA2 H 20 3.790 3.929 -0.139 1
1 182 . 4 1 1 A 20 20 GLY HA3 H 20 3.500 3.933 -0.433 1
1 183 . 4 1 1 A 20 20 GLY CA C 20 46.400 47.201 -0.801 1
1 184 . 4 1 1 A 20 20 GLY N N 20 110.300 107.873 2.427 1
1 185 . 4 1 1 A 21 21 ALA H H 21 8.550 8.104 0.446 1
1 186 . 4 1 1 A 21 21 ALA HA H 21 4.490 4.449 0.041 1
1 190 . 4 1 1 A 21 21 ALA CA C 21 55.100 54.808 0.292 1
1 191 . 4 1 1 A 21 21 ALA CB C 21 17.300 18.945 -1.645 1
1 192 . 4 1 1 A 21 21 ALA N N 21 125.300 125.006 0.294 1
1 193 . 4 1 1 A 22 22 ASP H H 22 7.660 8.293 -0.633 1
1 194 . 4 1 1 A 22 22 ASP HA H 22 4.460 4.383 0.077 1
1 197 . 4 1 1 A 22 22 ASP CA C 22 56.900 57.511 -0.611 1
1 198 . 4 1 1 A 22 22 ASP CB C 22 40.500 41.352 -0.852 1
1 199 . 4 1 1 A 22 22 ASP N N 22 119.000 118.358 0.642 1
1 200 . 4 1 1 A 23 23 ARG H H 23 8.110 8.444 -0.334 1
1 201 . 4 1 1 A 23 23 ARG HA H 23 4.000 4.003 -0.003 1
1 208 . 4 1 1 A 23 23 ARG CA C 23 59.200 58.913 0.287 1
1 209 . 4 1 1 A 23 23 ARG CB C 23 30.700 29.678 1.022 1
1 212 . 4 1 1 A 23 23 ARG N N 23 121.800 120.052 1.748 1
1 213 . 4 1 1 A 24 24 TYR H H 24 8.460 8.411 0.049 1
1 214 . 4 1 1 A 24 24 TYR HA H 24 3.780 4.138 -0.358 1
1 221 . 4 1 1 A 24 24 TYR CA C 24 60.900 61.556 -0.656 1
1 222 . 4 1 1 A 24 24 TYR CB C 24 39.400 38.390 1.010 1
1 225 . 4 1 1 A 24 24 TYR N N 24 120.400 120.642 -0.242 1
1 226 . 4 1 1 A 25 25 GLN H H 25 7.540 8.557 -1.017 1
1 227 . 4 1 1 A 25 25 GLN HA H 25 3.750 3.839 -0.089 1
1 232 . 4 1 1 A 25 25 GLN CA C 25 57.800 58.634 -0.834 1
1 233 . 4 1 1 A 25 25 GLN CB C 25 28.400 28.515 -0.115 1
1 235 . 4 1 1 A 25 25 GLN N N 25 117.500 118.608 -1.108 1
1 236 . 4 1 1 A 26 26 GLU H H 26 7.980 8.115 -0.135 1
1 237 . 4 1 1 A 26 26 GLU HA H 26 4.010 4.025 -0.015 1
1 242 . 4 1 1 A 26 26 GLU CA C 26 57.900 57.264 0.636 1
1 243 . 4 1 1 A 26 26 GLU CB C 26 29.700 29.926 -0.226 1
1 245 . 4 1 1 A 26 26 GLU N N 26 117.900 116.152 1.748 1
1 246 . 4 1 1 A 32 32 HIS HA H 32 4.620 4.523 0.097 1
1 249 . 4 1 1 A 32 32 HIS CA C 32 56.900 58.336 -1.436 1
1 250 . 4 1 1 A 32 32 HIS CB C 32 64.000 30.109 33.891 1
1 251 . 4 1 1 A 33 33 SER HA H 33 4.610 4.883 -0.273 1
1 254 . 4 1 1 A 33 33 SER CA C 33 56.900 58.241 -1.341 1
1 255 . 4 1 1 A 33 33 SER CB C 33 64.000 64.362 -0.362 1
1 256 . 4 1 1 A 34 34 TYR HA H 34 4.630 4.675 -0.045 1
1 263 . 4 1 1 A 34 34 TYR CA C 34 56.900 58.822 -1.922 1
1 264 . 4 1 1 A 34 34 TYR CB C 34 40.700 38.699 2.001 1
1 267 . 4 1 1 A 36 36 PHE HA H 36 3.910 3.807 0.103 1
1 275 . 4 1 1 A 36 36 PHE CA C 36 62.000 61.686 0.314 1
1 276 . 4 1 1 A 36 36 PHE CB C 36 39.200 39.792 -0.592 1
1 280 . 4 1 1 A 37 37 PHE H H 37 8.090 8.308 -0.218 1
1 281 . 4 1 1 A 37 37 PHE HA H 37 3.980 4.227 -0.247 1
1 289 . 4 1 1 A 37 37 PHE CA C 37 61.600 62.218 -0.618 1
1 290 . 4 1 1 A 37 37 PHE CB C 37 38.600 38.792 -0.192 1
1 294 . 4 1 1 A 37 37 PHE N N 37 116.200 115.266 0.934 1
1 295 . 4 1 1 A 38 38 GLU H H 38 9.000 7.932 1.068 1
1 296 . 4 1 1 A 38 38 GLU HA H 38 4.130 4.260 -0.130 1
1 301 . 4 1 1 A 38 38 GLU CA C 38 57.700 58.267 -0.567 1
1 302 . 4 1 1 A 38 38 GLU CB C 38 30.600 30.334 0.266 1
1 304 . 4 1 1 A 38 38 GLU N N 38 116.000 119.757 -3.757 1
1 305 . 4 1 1 A 39 39 THR H H 39 7.390 8.036 -0.646 1
1 306 . 4 1 1 A 39 39 THR HA H 39 4.280 4.564 -0.284 1
1 311 . 4 1 1 A 39 39 THR CA C 39 64.100 62.238 1.862 1
1 312 . 4 1 1 A 39 39 THR CB C 39 70.000 71.511 -1.511 1
1 314 . 4 1 1 A 39 39 THR N N 39 110.400 113.383 -2.983 1
1 315 . 4 1 1 A 40 40 ILE H H 40 7.250 7.567 -0.317 1
1 316 . 4 1 1 A 40 40 ILE HA H 40 2.570 3.957 -1.387 1
1 326 . 4 1 1 A 40 40 ILE CA C 40 65.800 60.448 5.352 1
1 327 . 4 1 1 A 40 40 ILE CB C 40 37.300 37.225 0.075 1
1 331 . 4 1 1 A 40 40 ILE N N 40 120.900 120.003 0.897 1
1 332 . 4 1 1 A 41 41 LYS H H 41 8.400 8.446 -0.046 1
1 333 . 4 1 1 A 41 41 LYS HA H 41 3.650 4.431 -0.781 1
1 336 . 4 1 1 A 41 41 LYS CA C 41 59.000 57.563 1.437 1
1 337 . 4 1 1 A 41 41 LYS CB C 41 29.700 34.697 -4.997 1
1 338 . 4 1 1 A 41 41 LYS N N 41 118.800 127.779 -8.979 1
1 339 . 4 1 1 A 42 42 PRO HA H 42 4.280 4.251 0.029 1
1 346 . 4 1 1 A 42 42 PRO CA C 42 65.300 66.409 -1.109 1
1 347 . 4 1 1 A 42 42 PRO CB C 42 30.200 30.911 -0.711 1
1 350 . 4 1 1 A 43 43 ALA H H 43 6.790 8.226 -1.436 1
1 351 . 4 1 1 A 43 43 ALA HA H 43 4.190 4.035 0.155 1
1 355 . 4 1 1 A 43 43 ALA CA C 43 54.900 55.324 -0.424 1
1 356 . 4 1 1 A 43 43 ALA CB C 43 18.000 18.342 -0.342 1
1 357 . 4 1 1 A 43 43 ALA N N 43 119.500 118.632 0.868 1
1 358 . 4 1 1 A 44 44 VAL H H 44 8.380 7.872 0.508 1
1 359 . 4 1 1 A 44 44 VAL HA H 44 3.460 3.432 0.028 1
1 367 . 4 1 1 A 44 44 VAL CA C 44 67.200 66.665 0.535 1
1 368 . 4 1 1 A 44 44 VAL CB C 44 31.500 31.527 -0.027 1
1 371 . 4 1 1 A 44 44 VAL N N 44 120.500 118.113 2.387 1
1 372 . 4 1 1 A 45 45 GLU H H 45 8.410 7.978 0.432 1
1 373 . 4 1 1 A 45 45 GLU HA H 45 4.060 3.973 0.087 1
1 378 . 4 1 1 A 45 45 GLU CA C 45 59.600 59.509 0.091 1
1 379 . 4 1 1 A 45 45 GLU CB C 45 29.300 29.120 0.180 1
1 381 . 4 1 1 A 45 45 GLU N N 45 118.400 118.670 -0.270 1
1 382 . 4 1 1 A 46 46 GLU H H 46 8.390 8.572 -0.182 1
1 383 . 4 1 1 A 46 46 GLU HA H 46 4.200 4.122 0.078 1
1 388 . 4 1 1 A 46 46 GLU CA C 46 58.900 59.203 -0.303 1
1 389 . 4 1 1 A 46 46 GLU CB C 46 29.300 29.489 -0.189 1
1 391 . 4 1 1 A 46 46 GLU N N 46 118.800 120.800 -2.000 1
1 392 . 4 1 1 A 47 47 ASN H H 47 7.700 8.920 -1.220 1
1 393 . 4 1 1 A 47 47 ASN HA H 47 4.900 4.747 0.153 1
1 398 . 4 1 1 A 47 47 ASN CA C 47 57.100 56.097 1.003 1
1 399 . 4 1 1 A 47 47 ASN CB C 47 39.000 38.114 0.886 1
1 400 . 4 1 1 A 47 47 ASN N N 47 118.000 119.157 -1.157 1
1 402 . 4 1 1 A 48 48 ASP H H 48 8.810 8.349 0.461 1
1 403 . 4 1 1 A 48 48 ASP HA H 48 4.520 4.350 0.170 1
1 406 . 4 1 1 A 48 48 ASP CA C 48 57.800 57.611 0.189 1
1 407 . 4 1 1 A 48 48 ASP CB C 48 41.700 42.024 -0.324 1
1 408 . 4 1 1 A 48 48 ASP N N 48 124.000 119.266 4.734 1
1 409 . 4 1 1 A 49 49 GLU H H 49 7.310 7.831 -0.521 1
1 410 . 4 1 1 A 49 49 GLU HA H 49 4.070 4.118 -0.048 1
1 415 . 4 1 1 A 49 49 GLU CA C 49 59.500 59.151 0.349 1
1 416 . 4 1 1 A 49 49 GLU CB C 49 29.300 29.226 0.074 1
1 418 . 4 1 1 A 49 49 GLU N N 49 117.600 117.904 -0.304 1
1 419 . 4 1 1 A 50 50 LEU H H 50 7.590 8.208 -0.618 1
1 420 . 4 1 1 A 50 50 LEU HA H 50 4.160 4.160 0.000 1
1 430 . 4 1 1 A 50 50 LEU CA C 50 58.000 58.210 -0.210 1
1 431 . 4 1 1 A 50 50 LEU CB C 50 41.800 41.719 0.081 1
1 435 . 4 1 1 A 50 50 LEU N N 50 119.500 122.740 -3.240 1
1 436 . 4 1 1 A 51 51 ALA H H 51 8.620 8.797 -0.177 1
1 437 . 4 1 1 A 51 51 ALA HA H 51 4.210 3.965 0.245 1
1 441 . 4 1 1 A 51 51 ALA CA C 51 54.900 55.270 -0.370 1
1 442 . 4 1 1 A 51 51 ALA CB C 51 18.600 17.909 0.691 1
1 443 . 4 1 1 A 51 51 ALA N N 51 118.900 120.727 -1.827 1
1 444 . 4 1 1 A 52 52 ALA H H 52 8.410 7.994 0.416 1
1 445 . 4 1 1 A 52 52 ALA HA H 52 4.210 4.089 0.121 1
1 449 . 4 1 1 A 52 52 ALA CA C 52 55.100 55.224 -0.124 1
1 450 . 4 1 1 A 52 52 ALA CB C 52 18.400 18.200 0.200 1
1 451 . 4 1 1 A 52 52 ALA N N 52 119.400 120.521 -1.121 1
1 452 . 4 1 1 A 53 53 ARG H H 53 8.070 8.238 -0.168 1
1 453 . 4 1 1 A 53 53 ARG HA H 53 4.130 4.103 0.027 1
1 460 . 4 1 1 A 53 53 ARG CA C 53 59.100 58.582 0.518 1
1 461 . 4 1 1 A 53 53 ARG CB C 53 30.900 29.852 1.048 1
1 464 . 4 1 1 A 53 53 ARG N N 53 119.500 117.979 1.521 1
1 465 . 4 1 1 A 54 54 TRP H H 54 9.270 8.292 0.978 1
1 466 . 4 1 1 A 54 54 TRP HA H 54 3.830 4.215 -0.385 1
1 475 . 4 1 1 A 54 54 TRP CA C 54 62.400 61.388 1.012 1
1 476 . 4 1 1 A 54 54 TRP CB C 54 29.200 29.275 -0.075 1
1 482 . 4 1 1 A 54 54 TRP N N 54 124.000 122.575 1.425 1
1 484 . 4 1 1 A 55 55 ALA H H 55 8.810 8.778 0.032 1
1 485 . 4 1 1 A 55 55 ALA HA H 55 3.220 3.893 -0.673 1
1 489 . 4 1 1 A 55 55 ALA CA C 55 55.100 55.354 -0.254 1
1 490 . 4 1 1 A 55 55 ALA CB C 55 17.500 18.198 -0.698 1
1 491 . 4 1 1 A 55 55 ALA N N 55 120.800 121.418 -0.618 1
1 492 . 4 1 1 A 56 56 GLU H H 56 7.460 8.044 -0.584 1
1 493 . 4 1 1 A 56 56 GLU HA H 56 3.880 3.981 -0.101 1
1 498 . 4 1 1 A 56 56 GLU CA C 56 59.200 59.344 -0.144 1
1 499 . 4 1 1 A 56 56 GLU CB C 56 29.500 29.265 0.235 1
1 501 . 4 1 1 A 56 56 GLU N N 56 114.800 118.675 -3.875 1
1 502 . 4 1 1 A 57 57 GLY H H 57 7.650 8.124 -0.474 1
1 503 . 4 1 1 A 57 57 GLY HA2 H 57 3.490 3.734 -0.244 1
1 504 . 4 1 1 A 57 57 GLY HA3 H 57 3.850 3.776 0.074 1
1 505 . 4 1 1 A 57 57 GLY CA C 57 47.100 46.923 0.177 1
1 506 . 4 1 1 A 57 57 GLY N N 57 106.000 107.970 -1.970 1
1 507 . 4 1 1 A 58 58 ALA H H 58 8.950 7.999 0.951 1
1 508 . 4 1 1 A 58 58 ALA HA H 58 3.640 3.689 -0.049 1
1 512 . 4 1 1 A 58 58 ALA CA C 58 54.500 54.408 0.092 1
1 513 . 4 1 1 A 58 58 ALA CB C 58 16.700 18.406 -1.706 1
1 514 . 4 1 1 A 58 58 ALA N N 58 127.400 124.706 2.694 1
1 515 . 4 1 1 A 59 59 LEU H H 59 8.370 8.482 -0.112 1
1 516 . 4 1 1 A 59 59 LEU HA H 59 3.920 3.817 0.103 1
1 526 . 4 1 1 A 59 59 LEU CA C 59 57.300 57.926 -0.626 1
1 527 . 4 1 1 A 59 59 LEU CB C 59 40.800 41.341 -0.541 1
1 531 . 4 1 1 A 59 59 LEU N N 59 116.800 119.282 -2.482 1
1 532 . 4 1 1 A 60 60 GLU H H 60 7.310 7.834 -0.524 1
1 533 . 4 1 1 A 60 60 GLU HA H 60 4.030 3.965 0.065 1
1 538 . 4 1 1 A 60 60 GLU CA C 60 58.800 59.259 -0.459 1
1 539 . 4 1 1 A 60 60 GLU CB C 60 28.900 29.357 -0.457 1
1 541 . 4 1 1 A 60 60 GLU N N 60 119.000 120.086 -1.086 1
1 542 . 4 1 1 A 61 61 LEU H H 61 7.700 7.976 -0.276 1
1 543 . 4 1 1 A 61 61 LEU HA H 61 4.000 3.988 0.012 1
1 553 . 4 1 1 A 61 61 LEU CA C 61 58.100 58.445 -0.345 1
1 554 . 4 1 1 A 61 61 LEU CB C 61 41.400 41.588 -0.188 1
1 558 . 4 1 1 A 61 61 LEU N N 61 120.800 120.550 0.250 1
1 559 . 4 1 1 A 62 62 ILE H H 62 7.510 7.937 -0.427 1
1 560 . 4 1 1 A 62 62 ILE HA H 62 4.040 3.856 0.184 1
1 570 . 4 1 1 A 62 62 ILE CA C 62 63.200 64.101 -0.901 1
1 571 . 4 1 1 A 62 62 ILE CB C 62 37.200 37.180 0.020 1
1 575 . 4 1 1 A 62 62 ILE N N 62 110.700 114.610 -3.910 1
1 576 . 4 1 1 A 63 63 LYS H H 63 7.520 8.193 -0.673 1
1 577 . 4 1 1 A 63 63 LYS HA H 63 4.070 4.118 -0.048 1
1 586 . 4 1 1 A 63 63 LYS CA C 63 58.600 58.600 0.000 1
1 587 . 4 1 1 A 63 63 LYS CB C 63 32.800 31.905 0.895 1
1 590 . 4 1 1 A 63 63 LYS N N 63 121.100 123.429 -2.329 1
1 591 . 4 1 1 A 64 64 VAL H H 64 7.630 7.362 0.268 1
1 592 . 4 1 1 A 64 64 VAL HA H 64 3.950 3.848 0.102 1
1 600 . 4 1 1 A 64 64 VAL CA C 64 63.900 64.969 -1.069 1
1 601 . 4 1 1 A 64 64 VAL CB C 64 32.400 32.194 0.206 1
1 604 . 4 1 1 A 64 64 VAL N N 64 115.200 119.886 -4.686 1
1 605 . 4 1 1 A 65 65 ARG H H 65 7.980 8.344 -0.364 1
1 606 . 4 1 1 A 65 65 ARG HA H 65 4.390 4.348 0.042 1
1 613 . 4 1 1 A 65 65 ARG CA C 65 55.200 56.891 -1.691 1
1 614 . 4 1 1 A 65 65 ARG CB C 65 31.500 30.862 0.638 1
1 617 . 4 1 1 A 65 65 ARG N N 65 118.300 119.789 -1.489 1
1 618 . 4 1 1 A 66 66 ARG HA H 66 4.340 4.653 -0.313 1
1 621 . 4 1 1 A 66 66 ARG CA C 66 54.900 57.638 -2.738 1
1 622 . 4 1 1 A 66 66 ARG CB C 66 29.200 29.237 -0.037 1
1 629 . 4 1 1 A 68 68 LYS HA H 68 4.100 3.992 0.108 1
1 638 . 4 1 1 A 68 68 LYS CA C 68 57.900 59.176 -1.276 1
1 639 . 4 1 1 A 68 68 LYS CB C 68 34.100 32.867 1.233 1
1 643 . 4 1 1 A 69 69 TYR HA H 69 4.760 4.429 0.331 1
1 650 . 4 1 1 A 69 69 TYR CA C 69 57.800 59.709 -1.909 1
1 651 . 4 1 1 A 69 69 TYR CB C 69 39.600 40.138 -0.538 1
1 654 . 4 1 1 A 70 70 VAL H H 70 6.950 7.764 -0.814 1
1 655 . 4 1 1 A 70 70 VAL HA H 70 4.720 4.231 0.489 1
1 663 . 4 1 1 A 70 70 VAL CA C 70 60.000 61.617 -1.617 1
1 664 . 4 1 1 A 70 70 VAL CB C 70 34.500 32.949 1.551 1
1 667 . 4 1 1 A 70 70 VAL N N 70 115.400 117.917 -2.517 1
1 668 . 4 1 1 A 71 71 HIS H H 71 7.870 8.885 -1.015 1
1 669 . 4 1 1 A 71 71 HIS HA H 71 4.910 4.952 -0.042 1
1 673 . 4 1 1 A 71 71 HIS CA C 71 54.100 54.990 -0.890 1
1 674 . 4 1 1 A 71 71 HIS CB C 71 33.700 32.399 1.301 1
1 676 . 4 1 1 A 71 71 HIS N N 71 120.600 125.143 -4.543 1
1 677 . 4 1 1 A 72 72 LYS H H 72 8.400 9.064 -0.664 1
1 678 . 4 1 1 A 72 72 LYS HA H 72 3.680 3.874 -0.194 1
1 687 . 4 1 1 A 72 72 LYS CA C 72 60.600 60.296 0.304 1
1 688 . 4 1 1 A 72 72 LYS CB C 72 32.800 32.093 0.707 1
1 692 . 4 1 1 A 73 73 GLU H H 73 9.680 8.526 1.154 1
1 693 . 4 1 1 A 73 73 GLU HA H 73 4.170 4.113 0.057 1
1 698 . 4 1 1 A 73 73 GLU CA C 73 60.000 59.584 0.416 1
1 699 . 4 1 1 A 73 73 GLU CB C 73 28.300 29.315 -1.015 1
1 701 . 4 1 1 A 73 73 GLU N N 73 117.300 118.754 -1.454 1
1 702 . 4 1 1 A 74 74 GLN H H 74 7.360 7.870 -0.510 1
1 703 . 4 1 1 A 74 74 GLN HA H 74 4.180 4.122 0.058 1
1 710 . 4 1 1 A 74 74 GLN CA C 74 58.300 58.609 -0.309 1
1 711 . 4 1 1 A 74 74 GLN CB C 74 28.300 28.526 -0.226 1
1 713 . 4 1 1 A 74 74 GLN N N 74 117.700 119.568 -1.868 1
1 715 . 4 1 1 A 75 75 ILE H H 75 7.530 7.911 -0.381 1
1 716 . 4 1 1 A 75 75 ILE HA H 75 3.780 3.911 -0.131 1
1 726 . 4 1 1 A 75 75 ILE CA C 75 64.100 65.876 -1.776 1
1 727 . 4 1 1 A 75 75 ILE CB C 75 36.800 37.896 -1.096 1
1 731 . 4 1 1 A 75 75 ILE N N 75 120.600 121.238 -0.638 1
1 732 . 4 1 1 A 76 76 GLU H H 76 8.340 7.945 0.395 1
1 733 . 4 1 1 A 76 76 GLU HA H 76 3.970 4.145 -0.175 1
1 738 . 4 1 1 A 76 76 GLU CA C 76 59.200 59.294 -0.094 1
1 739 . 4 1 1 A 76 76 GLU CB C 76 29.700 28.632 1.068 1
1 741 . 4 1 1 A 76 76 GLU N N 76 117.500 120.498 -2.998 1
1 742 . 4 1 1 A 77 77 ALA H H 77 7.390 8.019 -0.629 1
1 743 . 4 1 1 A 77 77 ALA HA H 77 4.370 4.091 0.279 1
1 747 . 4 1 1 A 77 77 ALA CA C 77 53.400 55.086 -1.686 1
1 748 . 4 1 1 A 77 77 ALA CB C 77 18.800 18.224 0.576 1
1 749 . 4 1 1 A 77 77 ALA N N 77 118.600 123.530 -4.930 1
1 750 . 4 1 1 A 78 78 VAL H H 78 7.620 8.487 -0.867 1
1 751 . 4 1 1 A 78 78 VAL HA H 78 3.720 3.439 0.281 1
1 759 . 4 1 1 A 78 78 VAL CA C 78 66.700 67.061 -0.361 1
1 760 . 4 1 1 A 78 78 VAL CB C 78 31.500 31.412 0.088 1
1 763 . 4 1 1 A 78 78 VAL N N 78 116.800 118.883 -2.083 1
1 764 . 4 1 1 A 79 79 LYS H H 79 8.570 7.947 0.623 1
1 765 . 4 1 1 A 79 79 LYS HA H 79 3.780 4.030 -0.250 1
1 774 . 4 1 1 A 79 79 LYS CA C 79 61.800 59.965 1.835 1
1 775 . 4 1 1 A 79 79 LYS CB C 79 31.500 32.277 -0.777 1
1 779 . 4 1 1 A 79 79 LYS N N 79 119.500 120.349 -0.849 1
1 780 . 4 1 1 A 80 80 ASP H H 80 8.350 8.155 0.195 1
1 781 . 4 1 1 A 80 80 ASP HA H 80 4.490 4.388 0.102 1
1 784 . 4 1 1 A 80 80 ASP CA C 80 57.300 57.420 -0.120 1
1 785 . 4 1 1 A 80 80 ASP CB C 80 40.000 41.242 -1.242 1
1 786 . 4 1 1 A 80 80 ASP N N 80 115.500 119.646 -4.146 1
1 787 . 4 1 1 A 81 81 ASN H H 81 7.690 8.637 -0.947 1
1 788 . 4 1 1 A 81 81 ASN HA H 81 4.540 4.392 0.148 1
1 793 . 4 1 1 A 81 81 ASN CA C 81 55.500 56.491 -0.991 1
1 794 . 4 1 1 A 81 81 ASN CB C 81 38.600 38.194 0.406 1
1 795 . 4 1 1 A 81 81 ASN N N 81 118.300 117.961 0.339 1
1 797 . 4 1 1 A 82 82 PHE H H 82 9.620 8.644 0.976 1
1 798 . 4 1 1 A 82 82 PHE HA H 82 4.060 4.097 -0.037 1
1 806 . 4 1 1 A 82 82 PHE CA C 82 60.900 61.311 -0.411 1
1 807 . 4 1 1 A 82 82 PHE CB C 82 39.500 39.011 0.489 1
1 811 . 4 1 1 A 82 82 PHE N N 82 121.400 122.637 -1.237 1
1 812 . 4 1 1 A 83 83 LEU H H 83 8.210 8.246 -0.036 1
1 813 . 4 1 1 A 83 83 LEU HA H 83 3.900 3.745 0.155 1
1 823 . 4 1 1 A 83 83 LEU CA C 83 57.000 57.741 -0.741 1
1 824 . 4 1 1 A 83 83 LEU CB C 83 40.400 41.221 -0.821 1
1 828 . 4 1 1 A 83 83 LEU N N 83 117.400 119.144 -1.744 1
1 829 . 4 1 1 A 84 84 GLU H H 84 7.660 8.112 -0.452 1
1 830 . 4 1 1 A 84 84 GLU HA H 84 4.150 4.013 0.137 1
1 835 . 4 1 1 A 84 84 GLU CA C 84 59.500 59.363 0.137 1
1 836 . 4 1 1 A 84 84 GLU CB C 84 28.700 29.486 -0.786 1
1 838 . 4 1 1 A 84 84 GLU N N 84 121.500 118.833 2.667 1
1 839 . 4 1 1 A 85 85 LEU H H 85 8.100 8.486 -0.386 1
1 840 . 4 1 1 A 85 85 LEU HA H 85 3.600 3.977 -0.377 1
1 850 . 4 1 1 A 85 85 LEU CA C 85 59.300 58.268 1.032 1
1 851 . 4 1 1 A 85 85 LEU CB C 85 41.800 41.362 0.438 1
1 855 . 4 1 1 A 85 85 LEU N N 85 121.700 122.362 -0.662 1
1 856 . 4 1 1 A 86 86 VAL H H 86 8.220 7.818 0.402 1
1 857 . 4 1 1 A 86 86 VAL HA H 86 3.100 3.322 -0.222 1
1 865 . 4 1 1 A 86 86 VAL CA C 86 67.200 66.502 0.698 1
1 866 . 4 1 1 A 86 86 VAL CB C 86 31.500 31.540 -0.040 1
1 869 . 4 1 1 A 86 86 VAL N N 86 118.400 119.201 -0.801 1
1 870 . 4 1 1 A 87 87 LEU H H 87 8.450 7.955 0.495 1
1 871 . 4 1 1 A 87 87 LEU HA H 87 3.960 4.101 -0.141 1
1 881 . 4 1 1 A 87 87 LEU CA C 87 59.100 58.535 0.565 1
1 882 . 4 1 1 A 87 87 LEU CB C 87 42.300 41.551 0.749 1
1 886 . 4 1 1 A 87 87 LEU N N 87 120.200 120.154 0.046 1
1 887 . 4 1 1 A 88 88 GLN H H 88 9.350 8.655 0.695 1
1 888 . 4 1 1 A 88 88 GLN HA H 88 4.180 4.097 0.083 1
1 895 . 4 1 1 A 88 88 GLN CA C 88 57.300 58.858 -1.558 1
1 896 . 4 1 1 A 88 88 GLN CB C 88 25.400 28.263 -2.863 1
1 898 . 4 1 1 A 88 88 GLN N N 88 114.900 118.641 -3.741 1
1 900 . 4 1 1 A 89 89 SER H H 89 8.680 7.884 0.796 1
1 901 . 4 1 1 A 89 89 SER HA H 89 4.080 3.839 0.241 1
1 904 . 4 1 1 A 89 89 SER CA C 89 61.900 62.036 -0.136 1
1 905 . 4 1 1 A 89 89 SER CB C 89 62.200 62.923 -0.723 1
1 906 . 4 1 1 A 89 89 SER N N 89 117.500 117.143 0.357 1
1 907 . 4 1 1 A 90 90 TYR H H 90 7.330 7.049 0.281 1
1 908 . 4 1 1 A 90 90 TYR HA H 90 4.320 4.220 0.100 1
1 915 . 4 1 1 A 90 90 TYR CA C 90 59.700 60.273 -0.573 1
1 916 . 4 1 1 A 90 90 TYR CB C 90 41.400 37.763 3.637 1
1 919 . 4 1 1 A 90 90 TYR N N 90 116.000 120.090 -4.090 1
1 920 . 4 1 1 A 91 91 VAL H H 91 7.730 7.494 0.236 1
1 921 . 4 1 1 A 91 91 VAL HA H 91 4.010 4.178 -0.168 1
1 929 . 4 1 1 A 91 91 VAL CA C 91 62.600 61.997 0.603 1
1 930 . 4 1 1 A 91 91 VAL CB C 91 32.700 31.689 1.011 1
1 933 . 4 1 1 A 91 91 VAL N N 91 110.500 112.922 -2.422 1
1 934 . 4 1 1 A 92 92 HIS H H 92 8.600 7.598 1.002 1
1 935 . 4 1 1 A 92 92 HIS HA H 92 4.280 4.247 0.033 1
1 939 . 4 1 1 A 92 92 HIS CA C 92 56.000 56.875 -0.875 1
1 940 . 4 1 1 A 92 92 HIS CB C 92 29.200 26.566 2.634 1
1 942 . 4 1 1 A 92 92 HIS N N 92 114.500 116.096 -1.596 1
1 943 . 4 1 1 A 93 93 HIS H H 93 8.350 8.122 0.228 1
1 944 . 4 1 1 A 93 93 HIS HA H 93 4.780 4.316 0.464 1
1 948 . 4 1 1 A 93 93 HIS CA C 93 57.600 58.092 -0.492 1
1 949 . 4 1 1 A 93 93 HIS CB C 93 31.900 30.784 1.116 1
1 951 . 4 1 1 A 93 93 HIS N N 93 118.200 117.701 0.499 1
1 952 . 4 1 1 A 94 94 ILE H H 94 7.470 7.535 -0.065 1
1 953 . 4 1 1 A 94 94 ILE HA H 94 4.370 4.403 -0.033 1
1 963 . 4 1 1 A 94 94 ILE CA C 94 60.900 59.368 1.532 1
1 964 . 4 1 1 A 94 94 ILE CB C 94 39.600 39.586 0.014 1
1 968 . 4 1 1 A 94 94 ILE N N 94 111.400 114.564 -3.164 1
1 969 . 4 1 1 A 95 95 HIS H H 95 6.990 9.249 -2.259 1
1 970 . 4 1 1 A 96 96 LYS HA H 96 4.040 4.705 -0.665 1
1 977 . 4 1 1 A 97 97 LYS HA H 97 4.130 4.052 0.078 1
1 986 . 4 1 1 A 97 97 LYS CA C 97 59.400 59.754 -0.354 1
1 987 . 4 1 1 A 97 97 LYS CB C 97 32.000 32.589 -0.589 1
1 991 . 4 1 1 A 98 98 ARG H H 98 7.150 8.114 -0.964 1
1 992 . 4 1 1 A 98 98 ARG HA H 98 4.150 4.168 -0.018 1
1 999 . 4 1 1 A 98 98 ARG CA C 98 57.900 58.053 -0.153 1
1 1000 . 4 1 1 A 98 98 ARG CB C 98 28.600 29.888 -1.288 1
1 1003 . 4 1 1 A 98 98 ARG N N 98 118.500 118.888 -0.388 1
1 1004 . 4 1 1 A 99 99 PHE H H 99 8.260 8.257 0.003 1
1 1005 . 4 1 1 A 99 99 PHE HA H 99 3.450 4.142 -0.692 1
1 1013 . 4 1 1 A 99 99 PHE CA C 99 62.700 61.593 1.107 1
1 1014 . 4 1 1 A 99 99 PHE CB C 99 39.200 39.330 -0.130 1
1 1018 . 4 1 1 A 99 99 PHE N N 99 119.100 121.458 -2.358 1
1 1019 . 4 1 1 A 100 100 LYS H H 100 8.500 8.308 0.192 1
1 1020 . 4 1 1 A 100 100 LYS HA H 100 3.980 3.841 0.139 1
1 1029 . 4 1 1 A 100 100 LYS CA C 100 59.300 60.095 -0.795 1
1 1030 . 4 1 1 A 100 100 LYS CB C 100 31.900 32.405 -0.505 1
1 1034 . 4 1 1 A 100 100 LYS N N 100 121.700 118.900 2.800 1
1 1035 . 4 1 1 A 101 101 ASP H H 101 8.150 7.740 0.410 1
1 1036 . 4 1 1 A 101 101 ASP HA H 101 4.290 4.341 -0.051 1
1 1039 . 4 1 1 A 101 101 ASP CA C 101 57.300 57.837 -0.537 1
1 1040 . 4 1 1 A 101 101 ASP CB C 101 39.900 41.366 -1.466 1
1 1041 . 4 1 1 A 101 101 ASP N N 101 119.800 119.632 0.168 1
1 1042 . 4 1 1 A 102 102 ILE H H 102 8.220 8.194 0.026 1
1 1043 . 4 1 1 A 102 102 ILE HA H 102 3.690 3.591 0.099 1
1 1053 . 4 1 1 A 102 102 ILE CA C 102 65.000 65.258 -0.258 1
1 1054 . 4 1 1 A 102 102 ILE CB C 102 37.700 37.378 0.322 1
1 1058 . 4 1 1 A 102 102 ILE N N 102 118.800 119.277 -0.477 1
1 1059 . 4 1 1 A 103 103 THR H H 103 7.930 7.967 -0.037 1
1 1060 . 4 1 1 A 103 103 THR HA H 103 3.480 3.734 -0.254 1
1 1066 . 4 1 1 A 103 103 THR CA C 103 67.300 67.068 0.232 1
1 1067 . 4 1 1 A 103 103 THR CB C 103 67.700 68.067 -0.367 1
1 1069 . 4 1 1 A 103 103 THR N N 103 117.900 116.966 0.934 1
1 1070 . 4 1 1 A 104 104 GLU H H 104 8.470 8.251 0.219 1
1 1071 . 4 1 1 A 104 104 GLU HA H 104 3.920 3.909 0.011 1
1 1076 . 4 1 1 A 104 104 GLU CA C 104 59.500 59.503 -0.003 1
1 1077 . 4 1 1 A 104 104 GLU CB C 104 29.200 29.336 -0.136 1
1 1079 . 4 1 1 A 104 104 GLU N N 104 118.900 120.256 -1.356 1
1 1080 . 4 1 1 A 105 105 SER H H 105 7.840 8.400 -0.560 1
1 1081 . 4 1 1 A 105 105 SER HA H 105 4.290 4.230 0.060 1
1 1084 . 4 1 1 A 105 105 SER CA C 105 60.900 62.740 -1.840 1
1 1085 . 4 1 1 A 105 105 SER CB C 105 62.700 63.035 -0.335 1
1 1086 . 4 1 1 A 105 105 SER N N 105 114.200 117.210 -3.010 1
1 1087 . 4 1 1 A 106 106 VAL H H 106 8.290 8.112 0.178 1
1 1088 . 4 1 1 A 106 106 VAL HA H 106 3.690 3.627 0.063 1
1 1096 . 4 1 1 A 106 106 VAL CA C 106 66.300 66.903 -0.603 1
1 1097 . 4 1 1 A 106 106 VAL CB C 106 31.900 31.606 0.294 1
1 1100 . 4 1 1 A 106 106 VAL N N 106 122.100 122.139 -0.039 1
1 1101 . 4 1 1 A 107 107 LEU H H 107 8.560 8.458 0.102 1
1 1102 . 4 1 1 A 107 107 LEU HA H 107 3.900 3.948 -0.048 1
1 1112 . 4 1 1 A 107 107 LEU CA C 107 58.300 58.142 0.158 1
1 1113 . 4 1 1 A 107 107 LEU CB C 107 41.200 41.814 -0.614 1
1 1117 . 4 1 1 A 107 107 LEU N N 107 117.500 118.497 -0.997 1
1 1118 . 4 1 1 A 108 108 TYR H H 108 8.450 8.701 -0.251 1
1 1119 . 4 1 1 A 108 108 TYR HA H 108 4.170 4.013 0.157 1
1 1126 . 4 1 1 A 108 108 TYR CA C 108 61.800 61.977 -0.177 1
1 1127 . 4 1 1 A 108 108 TYR CB C 108 37.900 38.278 -0.378 1
1 1130 . 4 1 1 A 108 108 TYR N N 108 119.000 119.632 -0.632 1
1 1131 . 4 1 1 A 109 109 THR H H 109 7.800 8.156 -0.356 1
1 1132 . 4 1 1 A 109 109 THR HA H 109 3.860 3.906 -0.046 1
1 1137 . 4 1 1 A 109 109 THR CA C 109 66.800 67.333 -0.533 1
1 1138 . 4 1 1 A 109 109 THR CB C 109 67.800 68.385 -0.585 1
1 1140 . 4 1 1 A 109 109 THR N N 109 116.500 115.142 1.358 1
1 1141 . 4 1 1 A 110 110 LEU H H 110 8.510 8.350 0.160 1
1 1142 . 4 1 1 A 110 110 LEU HA H 110 3.900 4.076 -0.176 1
1 1152 . 4 1 1 A 110 110 LEU CA C 110 58.500 57.859 0.641 1
1 1153 . 4 1 1 A 110 110 LEU CB C 110 41.300 41.854 -0.554 1
1 1157 . 4 1 1 A 110 110 LEU N N 110 121.000 120.861 0.139 1
1 1158 . 4 1 1 A 111 111 HIS H H 111 8.440 8.727 -0.287 1
1 1159 . 4 1 1 A 111 111 HIS HA H 111 4.000 4.236 -0.236 1
1 1163 . 4 1 1 A 111 111 HIS CA C 111 60.900 60.278 0.622 1
1 1164 . 4 1 1 A 111 111 HIS CB C 111 29.700 29.402 0.298 1
1 1166 . 4 1 1 A 111 111 HIS N N 111 116.300 117.819 -1.519 1
1 1167 . 4 1 1 A 112 112 ALA H H 112 7.920 7.862 0.058 1
1 1168 . 4 1 1 A 112 112 ALA HA H 112 4.130 3.680 0.450 1
1 1172 . 4 1 1 A 112 112 ALA CA C 112 55.000 54.975 0.025 1
1 1173 . 4 1 1 A 112 112 ALA CB C 112 17.600 18.326 -0.726 1
1 1174 . 4 1 1 A 112 112 ALA N N 112 122.900 122.029 0.871 1
1 1175 . 4 1 1 A 113 113 VAL H H 113 8.300 7.895 0.405 1
1 1176 . 4 1 1 A 113 113 VAL HA H 113 3.540 3.366 0.174 1
1 1184 . 4 1 1 A 113 113 VAL CA C 113 67.200 66.970 0.230 1
1 1185 . 4 1 1 A 113 113 VAL CB C 113 31.000 31.557 -0.557 1
1 1188 . 4 1 1 A 113 113 VAL N N 113 119.000 118.569 0.431 1
1 1189 . 4 1 1 A 114 114 LYS H H 114 8.220 8.212 0.008 1
1 1190 . 4 1 1 A 114 114 LYS HA H 114 3.810 3.898 -0.088 1
1 1199 . 4 1 1 A 114 114 LYS CA C 114 60.800 59.777 1.023 1
1 1200 . 4 1 1 A 114 114 LYS CB C 114 31.500 31.962 -0.462 1
1 1204 . 4 1 1 A 114 114 LYS N N 114 120.600 119.935 0.665 1
1 1205 . 4 1 1 A 115 115 ASP H H 115 8.180 7.787 0.393 1
1 1206 . 4 1 1 A 115 115 ASP HA H 115 4.300 4.165 0.135 1
1 1209 . 4 1 1 A 115 115 ASP CA C 115 56.800 57.405 -0.605 1
1 1210 . 4 1 1 A 115 115 ASP CB C 115 39.600 41.386 -1.786 1
1 1211 . 4 1 1 A 115 115 ASP N N 115 118.800 118.961 -0.161 1
1 1212 . 4 1 1 A 116 116 GLU H H 116 7.990 7.395 0.595 1
1 1213 . 4 1 1 A 116 116 GLU HA H 116 4.060 3.951 0.109 1
1 1218 . 4 1 1 A 116 116 GLU CA C 116 58.400 59.324 -0.924 1
1 1219 . 4 1 1 A 116 116 GLU CB C 116 29.000 29.296 -0.296 1
1 1221 . 4 1 1 A 116 116 GLU N N 116 120.800 118.329 2.471 1
1 1222 . 4 1 1 A 117 117 ILE H H 117 8.370 8.099 0.271 1
1 1223 . 4 1 1 A 117 117 ILE HA H 117 3.610 3.641 -0.031 1
1 1233 . 4 1 1 A 117 117 ILE CA C 117 64.800 65.690 -0.890 1
1 1234 . 4 1 1 A 117 117 ILE CB C 117 38.600 37.793 0.807 1
1 1238 . 4 1 1 A 117 117 ILE N N 117 119.700 120.645 -0.945 1
1 1239 . 4 1 1 A 118 118 ALA H H 118 7.720 8.001 -0.281 1
1 1240 . 4 1 1 A 118 118 ALA HA H 118 4.250 4.048 0.202 1
1 1244 . 4 1 1 A 118 118 ALA CA C 118 52.900 54.905 -2.005 1
1 1245 . 4 1 1 A 118 118 ALA CB C 118 18.700 18.149 0.551 1
1 1246 . 4 1 1 A 118 118 ALA N N 118 119.900 121.947 -2.047 1
1 1247 . 4 1 1 A 119 119 ARG H H 119 7.450 8.012 -0.562 1
1 1248 . 4 1 1 A 119 119 ARG HA H 119 4.110 3.982 0.128 1
1 1255 . 4 1 1 A 119 119 ARG CA C 119 57.600 59.461 -1.861 1
1 1256 . 4 1 1 A 119 119 ARG CB C 119 31.000 29.785 1.215 1
1 1259 . 4 1 1 A 119 119 ARG N N 119 118.400 118.640 -0.240 1
1 1260 . 4 1 1 A 120 120 GLU H H 120 8.890 7.984 0.906 1
1 1261 . 4 1 1 A 120 120 GLU HA H 120 4.280 4.157 0.123 1
1 1266 . 4 1 1 A 120 120 GLU CA C 120 57.600 58.726 -1.126 1
1 1267 . 4 1 1 A 120 120 GLU CB C 120 30.100 29.834 0.266 1
1 1269 . 4 1 1 A 120 120 GLU N N 120 114.900 116.921 -2.021 1
1 1 . 5 1 1 A 6 6 LEU HA H 6 4.230 4.483 -0.253 1
1 11 . 5 1 1 A 6 6 LEU CA C 6 58.000 55.827 2.173 1
1 12 . 5 1 1 A 6 6 LEU CB C 6 40.900 44.758 -3.858 1
1 16 . 5 1 1 A 7 7 LEU H H 7 8.970 8.001 0.969 1
1 17 . 5 1 1 A 7 7 LEU HA H 7 3.970 4.179 -0.209 1
1 27 . 5 1 1 A 7 7 LEU CA C 7 58.500 57.465 1.035 1
1 28 . 5 1 1 A 7 7 LEU CB C 7 41.000 42.157 -1.157 1
1 32 . 5 1 1 A 7 7 LEU N N 7 124.300 120.917 3.383 1
1 33 . 5 1 1 A 8 8 GLU H H 8 7.910 7.767 0.143 1
1 34 . 5 1 1 A 8 8 GLU HA H 8 4.040 4.062 -0.022 1
1 39 . 5 1 1 A 8 8 GLU CA C 8 59.500 59.208 0.292 1
1 40 . 5 1 1 A 8 8 GLU CB C 8 29.200 29.152 0.048 1
1 42 . 5 1 1 A 8 8 GLU N N 8 119.000 117.207 1.793 1
1 43 . 5 1 1 A 9 9 MET H H 9 8.520 8.125 0.395 1
1 44 . 5 1 1 A 9 9 MET HA H 9 4.030 4.252 -0.222 1
1 52 . 5 1 1 A 9 9 MET CA C 9 59.900 58.189 1.711 1
1 53 . 5 1 1 A 9 9 MET CB C 9 36.000 32.170 3.830 1
1 56 . 5 1 1 A 9 9 MET N N 9 117.500 120.077 -2.577 1
1 57 . 5 1 1 A 10 10 THR H H 10 8.470 7.701 0.769 1
1 58 . 5 1 1 A 10 10 THR HA H 10 3.550 3.786 -0.236 1
1 64 . 5 1 1 A 10 10 THR CA C 10 67.200 67.633 -0.433 1
1 65 . 5 1 1 A 10 10 THR CB C 10 68.500 68.126 0.374 1
1 67 . 5 1 1 A 10 10 THR N N 10 116.600 115.590 1.010 1
1 68 . 5 1 1 A 11 11 GLU H H 11 8.500 8.849 -0.349 1
1 69 . 5 1 1 A 11 11 GLU HA H 11 3.910 3.858 0.052 1
1 74 . 5 1 1 A 11 11 GLU CA C 11 59.400 59.998 -0.598 1
1 75 . 5 1 1 A 11 11 GLU CB C 11 29.200 29.003 0.197 1
1 77 . 5 1 1 A 11 11 GLU N N 11 119.400 119.190 0.210 1
1 78 . 5 1 1 A 12 12 GLN H H 12 8.140 8.183 -0.043 1
1 79 . 5 1 1 A 12 12 GLN HA H 12 4.100 4.059 0.041 1
1 86 . 5 1 1 A 12 12 GLN CA C 12 59.000 58.773 0.227 1
1 87 . 5 1 1 A 12 12 GLN CB C 12 27.800 28.545 -0.745 1
1 89 . 5 1 1 A 12 12 GLN N N 12 120.400 119.982 0.418 1
1 91 . 5 1 1 A 13 13 MET H H 13 8.120 7.836 0.284 1
1 92 . 5 1 1 A 13 13 MET HA H 13 3.710 4.109 -0.399 1
1 100 . 5 1 1 A 13 13 MET CA C 13 59.600 58.192 1.408 1
1 101 . 5 1 1 A 13 13 MET CB C 13 33.300 31.762 1.538 1
1 104 . 5 1 1 A 13 13 MET N N 13 118.500 118.550 -0.050 1
1 105 . 5 1 1 A 14 14 ILE H H 14 8.040 8.157 -0.117 1
1 106 . 5 1 1 A 14 14 ILE HA H 14 3.270 3.513 -0.243 1
1 116 . 5 1 1 A 14 14 ILE CA C 14 65.700 64.947 0.753 1
1 117 . 5 1 1 A 14 14 ILE CB C 14 38.000 37.407 0.593 1
1 121 . 5 1 1 A 14 14 ILE N N 14 119.400 119.841 -0.441 1
1 122 . 5 1 1 A 15 15 GLU H H 15 7.700 8.603 -0.903 1
1 123 . 5 1 1 A 15 15 GLU HA H 15 4.110 3.933 0.177 1
1 128 . 5 1 1 A 15 15 GLU CA C 15 59.300 59.499 -0.199 1
1 129 . 5 1 1 A 15 15 GLU CB C 15 29.200 29.671 -0.471 1
1 131 . 5 1 1 A 15 15 GLU N N 15 119.000 121.382 -2.382 1
1 132 . 5 1 1 A 16 16 VAL H H 16 8.410 8.287 0.123 1
1 133 . 5 1 1 A 16 16 VAL HA H 16 3.530 3.663 -0.133 1
1 141 . 5 1 1 A 16 16 VAL CA C 16 66.600 66.402 0.198 1
1 142 . 5 1 1 A 16 16 VAL CB C 16 31.900 31.852 0.048 1
1 145 . 5 1 1 A 16 16 VAL N N 16 119.500 119.978 -0.478 1
1 146 . 5 1 1 A 17 17 ALA H H 17 8.600 8.173 0.427 1
1 147 . 5 1 1 A 17 17 ALA HA H 17 4.080 4.058 0.022 1
1 151 . 5 1 1 A 17 17 ALA CA C 17 54.700 55.872 -1.172 1
1 152 . 5 1 1 A 17 17 ALA CB C 17 17.700 18.323 -0.623 1
1 153 . 5 1 1 A 17 17 ALA N N 17 123.100 122.236 0.864 1
1 154 . 5 1 1 A 18 18 GLU H H 18 8.850 8.739 0.111 1
1 155 . 5 1 1 A 18 18 GLU HA H 18 3.990 3.992 -0.002 1
1 160 . 5 1 1 A 18 18 GLU CA C 18 59.500 59.661 -0.161 1
1 161 . 5 1 1 A 18 18 GLU CB C 18 29.700 29.118 0.582 1
1 163 . 5 1 1 A 18 18 GLU N N 18 117.900 118.039 -0.139 1
1 164 . 5 1 1 A 19 19 LYS H H 19 8.750 8.265 0.485 1
1 165 . 5 1 1 A 19 19 LYS HA H 19 4.150 4.062 0.088 1
1 174 . 5 1 1 A 19 19 LYS CA C 19 58.700 59.604 -0.904 1
1 175 . 5 1 1 A 19 19 LYS CB C 19 31.900 32.258 -0.358 1
1 179 . 5 1 1 A 19 19 LYS N N 19 119.200 120.772 -1.572 1
1 180 . 5 1 1 A 20 20 GLY H H 20 8.640 8.508 0.132 1
1 181 . 5 1 1 A 20 20 GLY HA2 H 20 3.790 3.921 -0.131 1
1 182 . 5 1 1 A 20 20 GLY HA3 H 20 3.500 3.933 -0.433 1
1 183 . 5 1 1 A 20 20 GLY CA C 20 46.400 47.277 -0.877 1
1 184 . 5 1 1 A 20 20 GLY N N 20 110.300 107.561 2.739 1
1 185 . 5 1 1 A 21 21 ALA H H 21 8.550 7.907 0.643 1
1 186 . 5 1 1 A 21 21 ALA HA H 21 4.490 4.415 0.075 1
1 190 . 5 1 1 A 21 21 ALA CA C 21 55.100 54.798 0.302 1
1 191 . 5 1 1 A 21 21 ALA CB C 21 17.300 18.806 -1.506 1
1 192 . 5 1 1 A 21 21 ALA N N 21 125.300 125.026 0.274 1
1 193 . 5 1 1 A 22 22 ASP H H 22 7.660 8.525 -0.865 1
1 194 . 5 1 1 A 22 22 ASP HA H 22 4.460 4.392 0.068 1
1 197 . 5 1 1 A 22 22 ASP CA C 22 56.900 57.723 -0.823 1
1 198 . 5 1 1 A 22 22 ASP CB C 22 40.500 42.193 -1.693 1
1 199 . 5 1 1 A 22 22 ASP N N 22 119.000 118.416 0.584 1
1 200 . 5 1 1 A 23 23 ARG H H 23 8.110 8.547 -0.437 1
1 201 . 5 1 1 A 23 23 ARG HA H 23 4.000 3.947 0.053 1
1 208 . 5 1 1 A 23 23 ARG CA C 23 59.200 58.419 0.781 1
1 209 . 5 1 1 A 23 23 ARG CB C 23 30.700 30.051 0.649 1
1 212 . 5 1 1 A 23 23 ARG N N 23 121.800 120.080 1.720 1
1 213 . 5 1 1 A 24 24 TYR H H 24 8.460 8.217 0.243 1
1 214 . 5 1 1 A 24 24 TYR HA H 24 3.780 3.959 -0.179 1
1 221 . 5 1 1 A 24 24 TYR CA C 24 60.900 62.093 -1.193 1
1 222 . 5 1 1 A 24 24 TYR CB C 24 39.400 37.832 1.568 1
1 225 . 5 1 1 A 24 24 TYR N N 24 120.400 120.244 0.156 1
1 226 . 5 1 1 A 25 25 GLN H H 25 7.540 8.410 -0.870 1
1 227 . 5 1 1 A 25 25 GLN HA H 25 3.750 3.754 -0.004 1
1 232 . 5 1 1 A 25 25 GLN CA C 25 57.800 58.726 -0.926 1
1 233 . 5 1 1 A 25 25 GLN CB C 25 28.400 28.624 -0.224 1
1 235 . 5 1 1 A 25 25 GLN N N 25 117.500 118.463 -0.963 1
1 236 . 5 1 1 A 26 26 GLU H H 26 7.980 7.872 0.108 1
1 237 . 5 1 1 A 26 26 GLU HA H 26 4.010 4.139 -0.129 1
1 242 . 5 1 1 A 26 26 GLU CA C 26 57.900 58.217 -0.317 1
1 243 . 5 1 1 A 26 26 GLU CB C 26 29.700 30.652 -0.952 1
1 245 . 5 1 1 A 26 26 GLU N N 26 117.900 118.186 -0.286 1
1 246 . 5 1 1 A 32 32 HIS HA H 32 4.620 4.884 -0.264 1
1 249 . 5 1 1 A 32 32 HIS CA C 32 56.900 54.364 2.536 1
1 250 . 5 1 1 A 32 32 HIS CB C 32 64.000 32.353 31.647 1
1 251 . 5 1 1 A 33 33 SER HA H 33 4.610 4.426 0.184 1
1 254 . 5 1 1 A 33 33 SER CA C 33 56.900 59.984 -3.084 1
1 255 . 5 1 1 A 33 33 SER CB C 33 64.000 62.953 1.047 1
1 256 . 5 1 1 A 34 34 TYR HA H 34 4.630 4.552 0.078 1
1 263 . 5 1 1 A 34 34 TYR CA C 34 56.900 56.819 0.081 1
1 264 . 5 1 1 A 34 34 TYR CB C 34 40.700 37.279 3.421 1
1 267 . 5 1 1 A 36 36 PHE HA H 36 3.910 4.213 -0.303 1
1 275 . 5 1 1 A 36 36 PHE CA C 36 62.000 59.335 2.665 1
1 276 . 5 1 1 A 36 36 PHE CB C 36 39.200 38.379 0.821 1
1 280 . 5 1 1 A 37 37 PHE H H 37 8.090 8.470 -0.380 1
1 281 . 5 1 1 A 37 37 PHE HA H 37 3.980 4.537 -0.557 1
1 289 . 5 1 1 A 37 37 PHE CA C 37 61.600 58.032 3.568 1
1 290 . 5 1 1 A 37 37 PHE CB C 37 38.600 39.960 -1.360 1
1 294 . 5 1 1 A 37 37 PHE N N 37 116.200 118.172 -1.972 1
1 295 . 5 1 1 A 38 38 GLU H H 38 9.000 9.130 -0.130 1
1 296 . 5 1 1 A 38 38 GLU HA H 38 4.130 4.280 -0.150 1
1 301 . 5 1 1 A 38 38 GLU CA C 38 57.700 58.328 -0.628 1
1 302 . 5 1 1 A 38 38 GLU CB C 38 30.600 29.547 1.053 1
1 304 . 5 1 1 A 38 38 GLU N N 38 116.000 121.666 -5.666 1
1 305 . 5 1 1 A 39 39 THR H H 39 7.390 8.340 -0.950 1
1 306 . 5 1 1 A 39 39 THR HA H 39 4.280 4.186 0.094 1
1 311 . 5 1 1 A 39 39 THR CA C 39 64.100 63.153 0.947 1
1 312 . 5 1 1 A 39 39 THR CB C 39 70.000 69.085 0.915 1
1 314 . 5 1 1 A 39 39 THR N N 39 110.400 110.468 -0.068 1
1 315 . 5 1 1 A 40 40 ILE H H 40 7.250 7.183 0.067 1
1 316 . 5 1 1 A 40 40 ILE HA H 40 2.570 4.093 -1.523 1
1 326 . 5 1 1 A 40 40 ILE CA C 40 65.800 60.555 5.245 1
1 327 . 5 1 1 A 40 40 ILE CB C 40 37.300 34.917 2.383 1
1 331 . 5 1 1 A 40 40 ILE N N 40 120.900 121.074 -0.174 1
1 332 . 5 1 1 A 41 41 LYS H H 41 8.400 7.832 0.568 1
1 333 . 5 1 1 A 41 41 LYS HA H 41 3.650 4.393 -0.743 1
1 336 . 5 1 1 A 41 41 LYS CA C 41 59.000 57.059 1.941 1
1 337 . 5 1 1 A 41 41 LYS CB C 41 29.700 34.823 -5.123 1
1 338 . 5 1 1 A 41 41 LYS N N 41 118.800 121.777 -2.977 1
1 339 . 5 1 1 A 42 42 PRO HA H 42 4.280 4.431 -0.151 1
1 346 . 5 1 1 A 42 42 PRO CA C 42 65.300 66.187 -0.887 1
1 347 . 5 1 1 A 42 42 PRO CB C 42 30.200 30.658 -0.458 1
1 350 . 5 1 1 A 43 43 ALA H H 43 6.790 8.131 -1.341 1
1 351 . 5 1 1 A 43 43 ALA HA H 43 4.190 4.072 0.118 1
1 355 . 5 1 1 A 43 43 ALA CA C 43 54.900 55.269 -0.369 1
1 356 . 5 1 1 A 43 43 ALA CB C 43 18.000 18.306 -0.306 1
1 357 . 5 1 1 A 43 43 ALA N N 43 119.500 119.093 0.407 1
1 358 . 5 1 1 A 44 44 VAL H H 44 8.380 8.019 0.361 1
1 359 . 5 1 1 A 44 44 VAL HA H 44 3.460 3.382 0.078 1
1 367 . 5 1 1 A 44 44 VAL CA C 44 67.200 67.072 0.128 1
1 368 . 5 1 1 A 44 44 VAL CB C 44 31.500 31.317 0.183 1
1 371 . 5 1 1 A 44 44 VAL N N 44 120.500 118.459 2.041 1
1 372 . 5 1 1 A 45 45 GLU H H 45 8.410 8.089 0.321 1
1 373 . 5 1 1 A 45 45 GLU HA H 45 4.060 3.974 0.086 1
1 378 . 5 1 1 A 45 45 GLU CA C 45 59.600 59.665 -0.065 1
1 379 . 5 1 1 A 45 45 GLU CB C 45 29.300 29.294 0.006 1
1 381 . 5 1 1 A 45 45 GLU N N 45 118.400 118.696 -0.296 1
1 382 . 5 1 1 A 46 46 GLU H H 46 8.390 8.203 0.187 1
1 383 . 5 1 1 A 46 46 GLU HA H 46 4.200 4.054 0.146 1
1 388 . 5 1 1 A 46 46 GLU CA C 46 58.900 59.275 -0.375 1
1 389 . 5 1 1 A 46 46 GLU CB C 46 29.300 29.091 0.209 1
1 391 . 5 1 1 A 46 46 GLU N N 46 118.800 120.580 -1.780 1
1 392 . 5 1 1 A 47 47 ASN H H 47 7.700 8.665 -0.965 1
1 393 . 5 1 1 A 47 47 ASN HA H 47 4.900 4.654 0.246 1
1 398 . 5 1 1 A 47 47 ASN CA C 47 57.100 55.777 1.323 1
1 399 . 5 1 1 A 47 47 ASN CB C 47 39.000 38.094 0.906 1
1 400 . 5 1 1 A 47 47 ASN N N 47 118.000 118.110 -0.110 1
1 402 . 5 1 1 A 48 48 ASP H H 48 8.810 8.195 0.615 1
1 403 . 5 1 1 A 48 48 ASP HA H 48 4.520 4.363 0.157 1
1 406 . 5 1 1 A 48 48 ASP CA C 48 57.800 57.484 0.316 1
1 407 . 5 1 1 A 48 48 ASP CB C 48 41.700 41.568 0.132 1
1 408 . 5 1 1 A 48 48 ASP N N 48 124.000 119.429 4.571 1
1 409 . 5 1 1 A 49 49 GLU H H 49 7.310 8.021 -0.711 1
1 410 . 5 1 1 A 49 49 GLU HA H 49 4.070 4.065 0.005 1
1 415 . 5 1 1 A 49 49 GLU CA C 49 59.500 59.172 0.328 1
1 416 . 5 1 1 A 49 49 GLU CB C 49 29.300 29.322 -0.022 1
1 418 . 5 1 1 A 49 49 GLU N N 49 117.600 118.020 -0.420 1
1 419 . 5 1 1 A 50 50 LEU H H 50 7.590 8.302 -0.712 1
1 420 . 5 1 1 A 50 50 LEU HA H 50 4.160 4.181 -0.021 1
1 430 . 5 1 1 A 50 50 LEU CA C 50 58.000 58.191 -0.191 1
1 431 . 5 1 1 A 50 50 LEU CB C 50 41.800 41.696 0.104 1
1 435 . 5 1 1 A 50 50 LEU N N 50 119.500 122.101 -2.601 1
1 436 . 5 1 1 A 51 51 ALA H H 51 8.620 8.668 -0.048 1
1 437 . 5 1 1 A 51 51 ALA HA H 51 4.210 4.145 0.065 1
1 441 . 5 1 1 A 51 51 ALA CA C 51 54.900 54.937 -0.037 1
1 442 . 5 1 1 A 51 51 ALA CB C 51 18.600 18.305 0.295 1
1 443 . 5 1 1 A 51 51 ALA N N 51 118.900 120.694 -1.794 1
1 444 . 5 1 1 A 52 52 ALA H H 52 8.410 8.366 0.044 1
1 445 . 5 1 1 A 52 52 ALA HA H 52 4.210 4.088 0.122 1
1 449 . 5 1 1 A 52 52 ALA CA C 52 55.100 55.451 -0.351 1
1 450 . 5 1 1 A 52 52 ALA CB C 52 18.400 18.323 0.077 1
1 451 . 5 1 1 A 52 52 ALA N N 52 119.400 119.821 -0.421 1
1 452 . 5 1 1 A 53 53 ARG H H 53 8.070 8.178 -0.108 1
1 453 . 5 1 1 A 53 53 ARG HA H 53 4.130 4.114 0.016 1
1 460 . 5 1 1 A 53 53 ARG CA C 53 59.100 58.868 0.232 1
1 461 . 5 1 1 A 53 53 ARG CB C 53 30.900 29.727 1.173 1
1 464 . 5 1 1 A 53 53 ARG N N 53 119.500 118.734 0.766 1
1 465 . 5 1 1 A 54 54 TRP H H 54 9.270 8.251 1.019 1
1 466 . 5 1 1 A 54 54 TRP HA H 54 3.830 4.303 -0.473 1
1 475 . 5 1 1 A 54 54 TRP CA C 54 62.400 61.178 1.222 1
1 476 . 5 1 1 A 54 54 TRP CB C 54 29.200 29.197 0.003 1
1 482 . 5 1 1 A 54 54 TRP N N 54 124.000 121.942 2.058 1
1 484 . 5 1 1 A 55 55 ALA H H 55 8.810 8.819 -0.009 1
1 485 . 5 1 1 A 55 55 ALA HA H 55 3.220 3.835 -0.615 1
1 489 . 5 1 1 A 55 55 ALA CA C 55 55.100 55.324 -0.224 1
1 490 . 5 1 1 A 55 55 ALA CB C 55 17.500 18.175 -0.675 1
1 491 . 5 1 1 A 55 55 ALA N N 55 120.800 121.316 -0.516 1
1 492 . 5 1 1 A 56 56 GLU H H 56 7.460 8.794 -1.334 1
1 493 . 5 1 1 A 56 56 GLU HA H 56 3.880 4.040 -0.160 1
1 498 . 5 1 1 A 56 56 GLU CA C 56 59.200 59.353 -0.153 1
1 499 . 5 1 1 A 56 56 GLU CB C 56 29.500 29.118 0.382 1
1 501 . 5 1 1 A 56 56 GLU N N 56 114.800 117.591 -2.791 1
1 502 . 5 1 1 A 57 57 GLY H H 57 7.650 7.968 -0.318 1
1 503 . 5 1 1 A 57 57 GLY HA2 H 57 3.490 3.676 -0.186 1
1 504 . 5 1 1 A 57 57 GLY HA3 H 57 3.850 3.710 0.140 1
1 505 . 5 1 1 A 57 57 GLY CA C 57 47.100 47.131 -0.031 1
1 506 . 5 1 1 A 57 57 GLY N N 57 106.000 108.958 -2.958 1
1 507 . 5 1 1 A 58 58 ALA H H 58 8.950 7.956 0.994 1
1 508 . 5 1 1 A 58 58 ALA HA H 58 3.640 3.764 -0.124 1
1 512 . 5 1 1 A 58 58 ALA CA C 58 54.500 54.441 0.059 1
1 513 . 5 1 1 A 58 58 ALA CB C 58 16.700 18.458 -1.758 1
1 514 . 5 1 1 A 58 58 ALA N N 58 127.400 124.681 2.719 1
1 515 . 5 1 1 A 59 59 LEU H H 59 8.370 8.532 -0.162 1
1 516 . 5 1 1 A 59 59 LEU HA H 59 3.920 3.898 0.022 1
1 526 . 5 1 1 A 59 59 LEU CA C 59 57.300 57.652 -0.352 1
1 527 . 5 1 1 A 59 59 LEU CB C 59 40.800 41.295 -0.495 1
1 531 . 5 1 1 A 59 59 LEU N N 59 116.800 119.234 -2.434 1
1 532 . 5 1 1 A 60 60 GLU H H 60 7.310 7.812 -0.502 1
1 533 . 5 1 1 A 60 60 GLU HA H 60 4.030 3.980 0.050 1
1 538 . 5 1 1 A 60 60 GLU CA C 60 58.800 59.280 -0.480 1
1 539 . 5 1 1 A 60 60 GLU CB C 60 28.900 29.281 -0.381 1
1 541 . 5 1 1 A 60 60 GLU N N 60 119.000 120.636 -1.636 1
1 542 . 5 1 1 A 61 61 LEU H H 61 7.700 7.586 0.114 1
1 543 . 5 1 1 A 61 61 LEU HA H 61 4.000 4.006 -0.006 1
1 553 . 5 1 1 A 61 61 LEU CA C 61 58.100 58.263 -0.163 1
1 554 . 5 1 1 A 61 61 LEU CB C 61 41.400 41.743 -0.343 1
1 558 . 5 1 1 A 61 61 LEU N N 61 120.800 120.618 0.182 1
1 559 . 5 1 1 A 62 62 ILE H H 62 7.510 7.582 -0.072 1
1 560 . 5 1 1 A 62 62 ILE HA H 62 4.040 4.008 0.032 1
1 570 . 5 1 1 A 62 62 ILE CA C 62 63.200 63.667 -0.467 1
1 571 . 5 1 1 A 62 62 ILE CB C 62 37.200 37.544 -0.344 1
1 575 . 5 1 1 A 62 62 ILE N N 62 110.700 114.635 -3.935 1
1 576 . 5 1 1 A 63 63 LYS H H 63 7.520 7.668 -0.148 1
1 577 . 5 1 1 A 63 63 LYS HA H 63 4.070 4.028 0.042 1
1 586 . 5 1 1 A 63 63 LYS CA C 63 58.600 59.121 -0.521 1
1 587 . 5 1 1 A 63 63 LYS CB C 63 32.800 32.533 0.267 1
1 590 . 5 1 1 A 63 63 LYS N N 63 121.100 121.513 -0.413 1
1 591 . 5 1 1 A 64 64 VAL H H 64 7.630 7.490 0.140 1
1 592 . 5 1 1 A 64 64 VAL HA H 64 3.950 3.938 0.012 1
1 600 . 5 1 1 A 64 64 VAL CA C 64 63.900 64.805 -0.905 1
1 601 . 5 1 1 A 64 64 VAL CB C 64 32.400 32.868 -0.468 1
1 604 . 5 1 1 A 64 64 VAL N N 64 115.200 119.470 -4.270 1
1 605 . 5 1 1 A 65 65 ARG H H 65 7.980 7.944 0.036 1
1 606 . 5 1 1 A 65 65 ARG HA H 65 4.390 4.663 -0.273 1
1 613 . 5 1 1 A 65 65 ARG CA C 65 55.200 54.326 0.874 1
1 614 . 5 1 1 A 65 65 ARG CB C 65 31.500 33.363 -1.863 1
1 617 . 5 1 1 A 65 65 ARG N N 65 118.300 118.905 -0.605 1
1 618 . 5 1 1 A 66 66 ARG HA H 66 4.340 4.832 -0.492 1
1 621 . 5 1 1 A 66 66 ARG CA C 66 54.900 52.488 2.412 1
1 622 . 5 1 1 A 66 66 ARG CB C 66 29.200 31.258 -2.058 1
1 629 . 5 1 1 A 68 68 LYS HA H 68 4.100 4.259 -0.159 1
1 638 . 5 1 1 A 68 68 LYS CA C 68 57.900 57.509 0.391 1
1 639 . 5 1 1 A 68 68 LYS CB C 68 34.100 33.446 0.654 1
1 643 . 5 1 1 A 69 69 TYR HA H 69 4.760 4.602 0.158 1
1 650 . 5 1 1 A 69 69 TYR CA C 69 57.800 59.086 -1.286 1
1 651 . 5 1 1 A 69 69 TYR CB C 69 39.600 40.199 -0.599 1
1 654 . 5 1 1 A 70 70 VAL H H 70 6.950 7.675 -0.725 1
1 655 . 5 1 1 A 70 70 VAL HA H 70 4.720 4.248 0.472 1
1 663 . 5 1 1 A 70 70 VAL CA C 70 60.000 60.644 -0.644 1
1 664 . 5 1 1 A 70 70 VAL CB C 70 34.500 33.730 0.770 1
1 667 . 5 1 1 A 70 70 VAL N N 70 115.400 118.803 -3.403 1
1 668 . 5 1 1 A 71 71 HIS H H 71 7.870 8.578 -0.708 1
1 669 . 5 1 1 A 71 71 HIS HA H 71 4.910 4.912 -0.002 1
1 673 . 5 1 1 A 71 71 HIS CA C 71 54.100 55.228 -1.128 1
1 674 . 5 1 1 A 71 71 HIS CB C 71 33.700 33.485 0.215 1
1 676 . 5 1 1 A 71 71 HIS N N 71 120.600 121.943 -1.343 1
1 677 . 5 1 1 A 72 72 LYS H H 72 8.400 9.209 -0.809 1
1 678 . 5 1 1 A 72 72 LYS HA H 72 3.680 3.876 -0.196 1
1 687 . 5 1 1 A 72 72 LYS CA C 72 60.600 59.917 0.683 1
1 688 . 5 1 1 A 72 72 LYS CB C 72 32.800 32.558 0.242 1
1 692 . 5 1 1 A 73 73 GLU H H 73 9.680 8.144 1.536 1
1 693 . 5 1 1 A 73 73 GLU HA H 73 4.170 4.079 0.091 1
1 698 . 5 1 1 A 73 73 GLU CA C 73 60.000 59.469 0.531 1
1 699 . 5 1 1 A 73 73 GLU CB C 73 28.300 29.275 -0.975 1
1 701 . 5 1 1 A 73 73 GLU N N 73 117.300 119.368 -2.068 1
1 702 . 5 1 1 A 74 74 GLN H H 74 7.360 8.152 -0.792 1
1 703 . 5 1 1 A 74 74 GLN HA H 74 4.180 3.925 0.255 1
1 710 . 5 1 1 A 74 74 GLN CA C 74 58.300 59.266 -0.966 1
1 711 . 5 1 1 A 74 74 GLN CB C 74 28.300 28.203 0.097 1
1 713 . 5 1 1 A 74 74 GLN N N 74 117.700 118.789 -1.089 1
1 715 . 5 1 1 A 75 75 ILE H H 75 7.530 7.723 -0.193 1
1 716 . 5 1 1 A 75 75 ILE HA H 75 3.780 3.883 -0.103 1
1 726 . 5 1 1 A 75 75 ILE CA C 75 64.100 65.442 -1.342 1
1 727 . 5 1 1 A 75 75 ILE CB C 75 36.800 37.629 -0.829 1
1 731 . 5 1 1 A 75 75 ILE N N 75 120.600 121.081 -0.481 1
1 732 . 5 1 1 A 76 76 GLU H H 76 8.340 7.964 0.376 1
1 733 . 5 1 1 A 76 76 GLU HA H 76 3.970 4.109 -0.139 1
1 738 . 5 1 1 A 76 76 GLU CA C 76 59.200 59.443 -0.243 1
1 739 . 5 1 1 A 76 76 GLU CB C 76 29.700 28.569 1.131 1
1 741 . 5 1 1 A 76 76 GLU N N 76 117.500 121.343 -3.843 1
1 742 . 5 1 1 A 77 77 ALA H H 77 7.390 8.258 -0.868 1
1 743 . 5 1 1 A 77 77 ALA HA H 77 4.370 4.134 0.236 1
1 747 . 5 1 1 A 77 77 ALA CA C 77 53.400 54.880 -1.480 1
1 748 . 5 1 1 A 77 77 ALA CB C 77 18.800 18.547 0.253 1
1 749 . 5 1 1 A 77 77 ALA N N 77 118.600 123.019 -4.419 1
1 750 . 5 1 1 A 78 78 VAL H H 78 7.620 8.214 -0.594 1
1 751 . 5 1 1 A 78 78 VAL HA H 78 3.720 3.491 0.229 1
1 759 . 5 1 1 A 78 78 VAL CA C 78 66.700 67.098 -0.398 1
1 760 . 5 1 1 A 78 78 VAL CB C 78 31.500 31.567 -0.067 1
1 763 . 5 1 1 A 78 78 VAL N N 78 116.800 118.839 -2.039 1
1 764 . 5 1 1 A 79 79 LYS H H 79 8.570 8.188 0.382 1
1 765 . 5 1 1 A 79 79 LYS HA H 79 3.780 4.093 -0.313 1
1 774 . 5 1 1 A 79 79 LYS CA C 79 61.800 59.985 1.815 1
1 775 . 5 1 1 A 79 79 LYS CB C 79 31.500 32.284 -0.784 1
1 779 . 5 1 1 A 79 79 LYS N N 79 119.500 120.394 -0.894 1
1 780 . 5 1 1 A 80 80 ASP H H 80 8.350 8.300 0.050 1
1 781 . 5 1 1 A 80 80 ASP HA H 80 4.490 4.422 0.068 1
1 784 . 5 1 1 A 80 80 ASP CA C 80 57.300 57.810 -0.510 1
1 785 . 5 1 1 A 80 80 ASP CB C 80 40.000 41.490 -1.490 1
1 786 . 5 1 1 A 80 80 ASP N N 80 115.500 119.763 -4.263 1
1 787 . 5 1 1 A 81 81 ASN H H 81 7.690 7.931 -0.241 1
1 788 . 5 1 1 A 81 81 ASN HA H 81 4.540 4.568 -0.028 1
1 793 . 5 1 1 A 81 81 ASN CA C 81 55.500 56.333 -0.833 1
1 794 . 5 1 1 A 81 81 ASN CB C 81 38.600 38.758 -0.158 1
1 795 . 5 1 1 A 81 81 ASN N N 81 118.300 116.207 2.093 1
1 797 . 5 1 1 A 82 82 PHE H H 82 9.620 8.690 0.930 1
1 798 . 5 1 1 A 82 82 PHE HA H 82 4.060 4.080 -0.020 1
1 806 . 5 1 1 A 82 82 PHE CA C 82 60.900 61.176 -0.276 1
1 807 . 5 1 1 A 82 82 PHE CB C 82 39.500 39.447 0.053 1
1 811 . 5 1 1 A 82 82 PHE N N 82 121.400 122.954 -1.554 1
1 812 . 5 1 1 A 83 83 LEU H H 83 8.210 8.361 -0.151 1
1 813 . 5 1 1 A 83 83 LEU HA H 83 3.900 3.739 0.161 1
1 823 . 5 1 1 A 83 83 LEU CA C 83 57.000 57.819 -0.819 1
1 824 . 5 1 1 A 83 83 LEU CB C 83 40.400 41.379 -0.979 1
1 828 . 5 1 1 A 83 83 LEU N N 83 117.400 118.962 -1.562 1
1 829 . 5 1 1 A 84 84 GLU H H 84 7.660 7.892 -0.232 1
1 830 . 5 1 1 A 84 84 GLU HA H 84 4.150 4.029 0.121 1
1 835 . 5 1 1 A 84 84 GLU CA C 84 59.500 59.332 0.168 1
1 836 . 5 1 1 A 84 84 GLU CB C 84 28.700 29.398 -0.698 1
1 838 . 5 1 1 A 84 84 GLU N N 84 121.500 120.143 1.357 1
1 839 . 5 1 1 A 85 85 LEU H H 85 8.100 8.213 -0.113 1
1 840 . 5 1 1 A 85 85 LEU HA H 85 3.600 3.793 -0.193 1
1 850 . 5 1 1 A 85 85 LEU CA C 85 59.300 58.107 1.193 1
1 851 . 5 1 1 A 85 85 LEU CB C 85 41.800 41.258 0.542 1
1 855 . 5 1 1 A 85 85 LEU N N 85 121.700 121.113 0.587 1
1 856 . 5 1 1 A 86 86 VAL H H 86 8.220 7.823 0.397 1
1 857 . 5 1 1 A 86 86 VAL HA H 86 3.100 3.229 -0.129 1
1 865 . 5 1 1 A 86 86 VAL CA C 86 67.200 66.709 0.491 1
1 866 . 5 1 1 A 86 86 VAL CB C 86 31.500 31.386 0.114 1
1 869 . 5 1 1 A 86 86 VAL N N 86 118.400 119.096 -0.696 1
1 870 . 5 1 1 A 87 87 LEU H H 87 8.450 7.975 0.475 1
1 871 . 5 1 1 A 87 87 LEU HA H 87 3.960 4.046 -0.086 1
1 881 . 5 1 1 A 87 87 LEU CA C 87 59.100 58.669 0.431 1
1 882 . 5 1 1 A 87 87 LEU CB C 87 42.300 41.795 0.505 1
1 886 . 5 1 1 A 87 87 LEU N N 87 120.200 119.981 0.219 1
1 887 . 5 1 1 A 88 88 GLN H H 88 9.350 9.069 0.281 1
1 888 . 5 1 1 A 88 88 GLN HA H 88 4.180 4.314 -0.134 1
1 895 . 5 1 1 A 88 88 GLN CA C 88 57.300 58.247 -0.947 1
1 896 . 5 1 1 A 88 88 GLN CB C 88 25.400 27.627 -2.227 1
1 898 . 5 1 1 A 88 88 GLN N N 88 114.900 117.443 -2.543 1
1 900 . 5 1 1 A 89 89 SER H H 89 8.680 7.618 1.062 1
1 901 . 5 1 1 A 89 89 SER HA H 89 4.080 4.483 -0.403 1
1 904 . 5 1 1 A 89 89 SER CA C 89 61.900 60.969 0.931 1
1 905 . 5 1 1 A 89 89 SER CB C 89 62.200 62.971 -0.771 1
1 906 . 5 1 1 A 89 89 SER N N 89 117.500 116.054 1.446 1
1 907 . 5 1 1 A 90 90 TYR H H 90 7.330 7.415 -0.085 1
1 908 . 5 1 1 A 90 90 TYR HA H 90 4.320 4.759 -0.439 1
1 915 . 5 1 1 A 90 90 TYR CA C 90 59.700 60.004 -0.304 1
1 916 . 5 1 1 A 90 90 TYR CB C 90 41.400 39.406 1.994 1
1 919 . 5 1 1 A 90 90 TYR N N 90 116.000 119.437 -3.437 1
1 920 . 5 1 1 A 91 91 VAL H H 91 7.730 7.890 -0.160 1
1 921 . 5 1 1 A 91 91 VAL HA H 91 4.010 3.970 0.040 1
1 929 . 5 1 1 A 91 91 VAL CA C 91 62.600 63.225 -0.625 1
1 930 . 5 1 1 A 91 91 VAL CB C 91 32.700 32.333 0.367 1
1 933 . 5 1 1 A 91 91 VAL N N 91 110.500 114.780 -4.280 1
1 934 . 5 1 1 A 92 92 HIS H H 92 8.600 7.778 0.822 1
1 935 . 5 1 1 A 92 92 HIS HA H 92 4.280 4.694 -0.414 1
1 939 . 5 1 1 A 92 92 HIS CA C 92 56.000 57.194 -1.194 1
1 940 . 5 1 1 A 92 92 HIS CB C 92 29.200 26.685 2.515 1
1 942 . 5 1 1 A 92 92 HIS N N 92 114.500 116.140 -1.640 1
1 943 . 5 1 1 A 93 93 HIS H H 93 8.350 8.504 -0.154 1
1 944 . 5 1 1 A 93 93 HIS HA H 93 4.780 4.486 0.294 1
1 948 . 5 1 1 A 93 93 HIS CA C 93 57.600 56.481 1.119 1
1 949 . 5 1 1 A 93 93 HIS CB C 93 31.900 30.068 1.832 1
1 951 . 5 1 1 A 93 93 HIS N N 93 118.200 114.955 3.245 1
1 952 . 5 1 1 A 94 94 ILE H H 94 7.470 7.952 -0.482 1
1 953 . 5 1 1 A 94 94 ILE HA H 94 4.370 4.287 0.083 1
1 963 . 5 1 1 A 94 94 ILE CA C 94 60.900 60.120 0.780 1
1 964 . 5 1 1 A 94 94 ILE CB C 94 39.600 38.271 1.329 1
1 968 . 5 1 1 A 94 94 ILE N N 94 111.400 116.226 -4.826 1
1 969 . 5 1 1 A 95 95 HIS H H 95 6.990 8.404 -1.414 1
1 970 . 5 1 1 A 96 96 LYS HA H 96 4.040 4.578 -0.538 1
1 977 . 5 1 1 A 97 97 LYS HA H 97 4.130 4.017 0.113 1
1 986 . 5 1 1 A 97 97 LYS CA C 97 59.400 59.644 -0.244 1
1 987 . 5 1 1 A 97 97 LYS CB C 97 32.000 32.202 -0.202 1
1 991 . 5 1 1 A 98 98 ARG H H 98 7.150 7.802 -0.652 1
1 992 . 5 1 1 A 98 98 ARG HA H 98 4.150 4.055 0.095 1
1 999 . 5 1 1 A 98 98 ARG CA C 98 57.900 59.034 -1.134 1
1 1000 . 5 1 1 A 98 98 ARG CB C 98 28.600 29.773 -1.173 1
1 1003 . 5 1 1 A 98 98 ARG N N 98 118.500 118.793 -0.293 1
1 1004 . 5 1 1 A 99 99 PHE H H 99 8.260 8.141 0.119 1
1 1005 . 5 1 1 A 99 99 PHE HA H 99 3.450 4.022 -0.572 1
1 1013 . 5 1 1 A 99 99 PHE CA C 99 62.700 61.471 1.229 1
1 1014 . 5 1 1 A 99 99 PHE CB C 99 39.200 39.224 -0.024 1
1 1018 . 5 1 1 A 99 99 PHE N N 99 119.100 121.347 -2.247 1
1 1019 . 5 1 1 A 100 100 LYS H H 100 8.500 8.078 0.422 1
1 1020 . 5 1 1 A 100 100 LYS HA H 100 3.980 3.932 0.048 1
1 1029 . 5 1 1 A 100 100 LYS CA C 100 59.300 59.995 -0.695 1
1 1030 . 5 1 1 A 100 100 LYS CB C 100 31.900 32.093 -0.193 1
1 1034 . 5 1 1 A 100 100 LYS N N 100 121.700 119.236 2.464 1
1 1035 . 5 1 1 A 101 101 ASP H H 101 8.150 7.872 0.278 1
1 1036 . 5 1 1 A 101 101 ASP HA H 101 4.290 4.287 0.003 1
1 1039 . 5 1 1 A 101 101 ASP CA C 101 57.300 57.885 -0.585 1
1 1040 . 5 1 1 A 101 101 ASP CB C 101 39.900 41.712 -1.812 1
1 1041 . 5 1 1 A 101 101 ASP N N 101 119.800 119.636 0.164 1
1 1042 . 5 1 1 A 102 102 ILE H H 102 8.220 7.649 0.571 1
1 1043 . 5 1 1 A 102 102 ILE HA H 102 3.690 3.632 0.058 1
1 1053 . 5 1 1 A 102 102 ILE CA C 102 65.000 64.929 0.071 1
1 1054 . 5 1 1 A 102 102 ILE CB C 102 37.700 37.723 -0.023 1
1 1058 . 5 1 1 A 102 102 ILE N N 102 118.800 119.004 -0.204 1
1 1059 . 5 1 1 A 103 103 THR H H 103 7.930 7.831 0.099 1
1 1060 . 5 1 1 A 103 103 THR HA H 103 3.480 3.794 -0.314 1
1 1066 . 5 1 1 A 103 103 THR CA C 103 67.300 67.237 0.063 1
1 1067 . 5 1 1 A 103 103 THR CB C 103 67.700 68.046 -0.346 1
1 1069 . 5 1 1 A 103 103 THR N N 103 117.900 117.643 0.257 1
1 1070 . 5 1 1 A 104 104 GLU H H 104 8.470 8.578 -0.108 1
1 1071 . 5 1 1 A 104 104 GLU HA H 104 3.920 3.910 0.010 1
1 1076 . 5 1 1 A 104 104 GLU CA C 104 59.500 59.756 -0.256 1
1 1077 . 5 1 1 A 104 104 GLU CB C 104 29.200 29.475 -0.275 1
1 1079 . 5 1 1 A 104 104 GLU N N 104 118.900 120.675 -1.775 1
1 1080 . 5 1 1 A 105 105 SER H H 105 7.840 8.357 -0.517 1
1 1081 . 5 1 1 A 105 105 SER HA H 105 4.290 4.107 0.183 1
1 1084 . 5 1 1 A 105 105 SER CA C 105 60.900 62.632 -1.732 1
1 1085 . 5 1 1 A 105 105 SER CB C 105 62.700 63.008 -0.308 1
1 1086 . 5 1 1 A 105 105 SER N N 105 114.200 116.862 -2.662 1
1 1087 . 5 1 1 A 106 106 VAL H H 106 8.290 7.884 0.406 1
1 1088 . 5 1 1 A 106 106 VAL HA H 106 3.690 3.606 0.084 1
1 1096 . 5 1 1 A 106 106 VAL CA C 106 66.300 66.819 -0.519 1
1 1097 . 5 1 1 A 106 106 VAL CB C 106 31.900 31.756 0.144 1
1 1100 . 5 1 1 A 106 106 VAL N N 106 122.100 122.116 -0.016 1
1 1101 . 5 1 1 A 107 107 LEU H H 107 8.560 8.659 -0.099 1
1 1102 . 5 1 1 A 107 107 LEU HA H 107 3.900 3.921 -0.021 1
1 1112 . 5 1 1 A 107 107 LEU CA C 107 58.300 58.156 0.144 1
1 1113 . 5 1 1 A 107 107 LEU CB C 107 41.200 41.857 -0.657 1
1 1117 . 5 1 1 A 107 107 LEU N N 107 117.500 118.210 -0.710 1
1 1118 . 5 1 1 A 108 108 TYR H H 108 8.450 8.787 -0.337 1
1 1119 . 5 1 1 A 108 108 TYR HA H 108 4.170 3.897 0.273 1
1 1126 . 5 1 1 A 108 108 TYR CA C 108 61.800 61.919 -0.119 1
1 1127 . 5 1 1 A 108 108 TYR CB C 108 37.900 38.550 -0.650 1
1 1130 . 5 1 1 A 108 108 TYR N N 108 119.000 119.669 -0.669 1
1 1131 . 5 1 1 A 109 109 THR H H 109 7.800 7.768 0.032 1
1 1132 . 5 1 1 A 109 109 THR HA H 109 3.860 4.248 -0.388 1
1 1137 . 5 1 1 A 109 109 THR CA C 109 66.800 67.365 -0.565 1
1 1138 . 5 1 1 A 109 109 THR CB C 109 67.800 68.095 -0.295 1
1 1140 . 5 1 1 A 109 109 THR N N 109 116.500 115.564 0.936 1
1 1141 . 5 1 1 A 110 110 LEU H H 110 8.510 8.419 0.091 1
1 1142 . 5 1 1 A 110 110 LEU HA H 110 3.900 4.054 -0.154 1
1 1152 . 5 1 1 A 110 110 LEU CA C 110 58.500 57.859 0.641 1
1 1153 . 5 1 1 A 110 110 LEU CB C 110 41.300 41.794 -0.494 1
1 1157 . 5 1 1 A 110 110 LEU N N 110 121.000 120.932 0.068 1
1 1158 . 5 1 1 A 111 111 HIS H H 111 8.440 8.677 -0.237 1
1 1159 . 5 1 1 A 111 111 HIS HA H 111 4.000 4.229 -0.229 1
1 1163 . 5 1 1 A 111 111 HIS CA C 111 60.900 60.054 0.846 1
1 1164 . 5 1 1 A 111 111 HIS CB C 111 29.700 28.916 0.784 1
1 1166 . 5 1 1 A 111 111 HIS N N 111 116.300 117.571 -1.271 1
1 1167 . 5 1 1 A 112 112 ALA H H 112 7.920 7.688 0.232 1
1 1168 . 5 1 1 A 112 112 ALA HA H 112 4.130 3.635 0.495 1
1 1172 . 5 1 1 A 112 112 ALA CA C 112 55.000 55.031 -0.031 1
1 1173 . 5 1 1 A 112 112 ALA CB C 112 17.600 18.538 -0.938 1
1 1174 . 5 1 1 A 112 112 ALA N N 112 122.900 121.824 1.076 1
1 1175 . 5 1 1 A 113 113 VAL H H 113 8.300 8.012 0.288 1
1 1176 . 5 1 1 A 113 113 VAL HA H 113 3.540 3.545 -0.005 1
1 1184 . 5 1 1 A 113 113 VAL CA C 113 67.200 66.908 0.292 1
1 1185 . 5 1 1 A 113 113 VAL CB C 113 31.000 31.728 -0.728 1
1 1188 . 5 1 1 A 113 113 VAL N N 113 119.000 118.566 0.434 1
1 1189 . 5 1 1 A 114 114 LYS H H 114 8.220 8.157 0.063 1
1 1190 . 5 1 1 A 114 114 LYS HA H 114 3.810 3.985 -0.175 1
1 1199 . 5 1 1 A 114 114 LYS CA C 114 60.800 59.773 1.027 1
1 1200 . 5 1 1 A 114 114 LYS CB C 114 31.500 32.225 -0.725 1
1 1204 . 5 1 1 A 114 114 LYS N N 114 120.600 119.974 0.626 1
1 1205 . 5 1 1 A 115 115 ASP H H 115 8.180 7.843 0.337 1
1 1206 . 5 1 1 A 115 115 ASP HA H 115 4.300 4.295 0.005 1
1 1209 . 5 1 1 A 115 115 ASP CA C 115 56.800 57.628 -0.828 1
1 1210 . 5 1 1 A 115 115 ASP CB C 115 39.600 40.719 -1.119 1
1 1211 . 5 1 1 A 115 115 ASP N N 115 118.800 119.511 -0.711 1
1 1212 . 5 1 1 A 116 116 GLU H H 116 7.990 7.939 0.051 1
1 1213 . 5 1 1 A 116 116 GLU HA H 116 4.060 4.136 -0.076 1
1 1218 . 5 1 1 A 116 116 GLU CA C 116 58.400 59.549 -1.149 1
1 1219 . 5 1 1 A 116 116 GLU CB C 116 29.000 29.399 -0.399 1
1 1221 . 5 1 1 A 116 116 GLU N N 116 120.800 118.884 1.916 1
1 1222 . 5 1 1 A 117 117 ILE H H 117 8.370 8.054 0.316 1
1 1223 . 5 1 1 A 117 117 ILE HA H 117 3.610 3.710 -0.100 1
1 1233 . 5 1 1 A 117 117 ILE CA C 117 64.800 65.642 -0.842 1
1 1234 . 5 1 1 A 117 117 ILE CB C 117 38.600 37.994 0.606 1
1 1238 . 5 1 1 A 117 117 ILE N N 117 119.700 120.939 -1.239 1
1 1239 . 5 1 1 A 118 118 ALA H H 118 7.720 7.708 0.012 1
1 1240 . 5 1 1 A 118 118 ALA HA H 118 4.250 4.228 0.022 1
1 1244 . 5 1 1 A 118 118 ALA CA C 118 52.900 54.583 -1.683 1
1 1245 . 5 1 1 A 118 118 ALA CB C 118 18.700 18.353 0.347 1
1 1246 . 5 1 1 A 118 118 ALA N N 118 119.900 122.320 -2.420 1
1 1247 . 5 1 1 A 119 119 ARG H H 119 7.450 7.843 -0.393 1
1 1248 . 5 1 1 A 119 119 ARG HA H 119 4.110 4.126 -0.016 1
1 1255 . 5 1 1 A 119 119 ARG CA C 119 57.600 58.637 -1.037 1
1 1256 . 5 1 1 A 119 119 ARG CB C 119 31.000 29.999 1.001 1
1 1259 . 5 1 1 A 119 119 ARG N N 119 118.400 118.940 -0.540 1
1 1260 . 5 1 1 A 120 120 GLU H H 120 8.890 8.257 0.633 1
1 1261 . 5 1 1 A 120 120 GLU HA H 120 4.280 4.182 0.098 1
1 1266 . 5 1 1 A 120 120 GLU CA C 120 57.600 58.761 -1.161 1
1 1267 . 5 1 1 A 120 120 GLU CB C 120 30.100 30.561 -0.461 1
1 1269 . 5 1 1 A 120 120 GLU N N 120 114.900 118.792 -3.892 1
1 1 . 6 1 1 A 6 6 LEU HA H 6 4.230 4.583 -0.353 1
1 11 . 6 1 1 A 6 6 LEU CA C 6 58.000 55.601 2.399 1
1 12 . 6 1 1 A 6 6 LEU CB C 6 40.900 44.386 -3.486 1
1 16 . 6 1 1 A 7 7 LEU H H 7 8.970 8.047 0.923 1
1 17 . 6 1 1 A 7 7 LEU HA H 7 3.970 4.124 -0.154 1
1 27 . 6 1 1 A 7 7 LEU CA C 7 58.500 58.102 0.398 1
1 28 . 6 1 1 A 7 7 LEU CB C 7 41.000 41.845 -0.845 1
1 32 . 6 1 1 A 7 7 LEU N N 7 124.300 120.437 3.863 1
1 33 . 6 1 1 A 8 8 GLU H H 8 7.910 8.378 -0.468 1
1 34 . 6 1 1 A 8 8 GLU HA H 8 4.040 4.125 -0.085 1
1 39 . 6 1 1 A 8 8 GLU CA C 8 59.500 59.124 0.376 1
1 40 . 6 1 1 A 8 8 GLU CB C 8 29.200 29.406 -0.206 1
1 42 . 6 1 1 A 8 8 GLU N N 8 119.000 117.343 1.657 1
1 43 . 6 1 1 A 9 9 MET H H 9 8.520 8.283 0.237 1
1 44 . 6 1 1 A 9 9 MET HA H 9 4.030 4.245 -0.215 1
1 52 . 6 1 1 A 9 9 MET CA C 9 59.900 58.255 1.645 1
1 53 . 6 1 1 A 9 9 MET CB C 9 36.000 33.400 2.600 1
1 56 . 6 1 1 A 9 9 MET N N 9 117.500 119.177 -1.677 1
1 57 . 6 1 1 A 10 10 THR H H 10 8.470 7.959 0.511 1
1 58 . 6 1 1 A 10 10 THR HA H 10 3.550 3.849 -0.299 1
1 64 . 6 1 1 A 10 10 THR CA C 10 67.200 67.409 -0.209 1
1 65 . 6 1 1 A 10 10 THR CB C 10 68.500 68.615 -0.115 1
1 67 . 6 1 1 A 10 10 THR N N 10 116.600 115.488 1.112 1
1 68 . 6 1 1 A 11 11 GLU H H 11 8.500 9.030 -0.530 1
1 69 . 6 1 1 A 11 11 GLU HA H 11 3.910 3.914 -0.004 1
1 74 . 6 1 1 A 11 11 GLU CA C 11 59.400 59.873 -0.473 1
1 75 . 6 1 1 A 11 11 GLU CB C 11 29.200 29.209 -0.009 1
1 77 . 6 1 1 A 11 11 GLU N N 11 119.400 119.446 -0.046 1
1 78 . 6 1 1 A 12 12 GLN H H 12 8.140 8.601 -0.461 1
1 79 . 6 1 1 A 12 12 GLN HA H 12 4.100 4.009 0.091 1
1 86 . 6 1 1 A 12 12 GLN CA C 12 59.000 59.387 -0.387 1
1 87 . 6 1 1 A 12 12 GLN CB C 12 27.800 28.584 -0.784 1
1 89 . 6 1 1 A 12 12 GLN N N 12 120.400 118.879 1.521 1
1 91 . 6 1 1 A 13 13 MET H H 13 8.120 8.005 0.115 1
1 92 . 6 1 1 A 13 13 MET HA H 13 3.710 3.988 -0.278 1
1 100 . 6 1 1 A 13 13 MET CA C 13 59.600 58.066 1.534 1
1 101 . 6 1 1 A 13 13 MET CB C 13 33.300 31.589 1.711 1
1 104 . 6 1 1 A 13 13 MET N N 13 118.500 118.859 -0.359 1
1 105 . 6 1 1 A 14 14 ILE H H 14 8.040 8.336 -0.296 1
1 106 . 6 1 1 A 14 14 ILE HA H 14 3.270 3.526 -0.256 1
1 116 . 6 1 1 A 14 14 ILE CA C 14 65.700 64.975 0.725 1
1 117 . 6 1 1 A 14 14 ILE CB C 14 38.000 37.676 0.324 1
1 121 . 6 1 1 A 14 14 ILE N N 14 119.400 119.674 -0.274 1
1 122 . 6 1 1 A 15 15 GLU H H 15 7.700 8.380 -0.680 1
1 123 . 6 1 1 A 15 15 GLU HA H 15 4.110 4.074 0.036 1
1 128 . 6 1 1 A 15 15 GLU CA C 15 59.300 59.174 0.126 1
1 129 . 6 1 1 A 15 15 GLU CB C 15 29.200 29.393 -0.193 1
1 131 . 6 1 1 A 15 15 GLU N N 15 119.000 120.718 -1.718 1
1 132 . 6 1 1 A 16 16 VAL H H 16 8.410 8.463 -0.053 1
1 133 . 6 1 1 A 16 16 VAL HA H 16 3.530 3.694 -0.164 1
1 141 . 6 1 1 A 16 16 VAL CA C 16 66.600 66.476 0.124 1
1 142 . 6 1 1 A 16 16 VAL CB C 16 31.900 31.722 0.178 1
1 145 . 6 1 1 A 16 16 VAL N N 16 119.500 120.666 -1.166 1
1 146 . 6 1 1 A 17 17 ALA H H 17 8.600 8.275 0.325 1
1 147 . 6 1 1 A 17 17 ALA HA H 17 4.080 4.099 -0.019 1
1 151 . 6 1 1 A 17 17 ALA CA C 17 54.700 55.944 -1.244 1
1 152 . 6 1 1 A 17 17 ALA CB C 17 17.700 18.351 -0.651 1
1 153 . 6 1 1 A 17 17 ALA N N 17 123.100 122.067 1.033 1
1 154 . 6 1 1 A 18 18 GLU H H 18 8.850 8.475 0.375 1
1 155 . 6 1 1 A 18 18 GLU HA H 18 3.990 3.981 0.009 1
1 160 . 6 1 1 A 18 18 GLU CA C 18 59.500 59.639 -0.139 1
1 161 . 6 1 1 A 18 18 GLU CB C 18 29.700 29.423 0.277 1
1 163 . 6 1 1 A 18 18 GLU N N 18 117.900 118.031 -0.131 1
1 164 . 6 1 1 A 19 19 LYS H H 19 8.750 8.365 0.385 1
1 165 . 6 1 1 A 19 19 LYS HA H 19 4.150 4.087 0.063 1
1 174 . 6 1 1 A 19 19 LYS CA C 19 58.700 59.261 -0.561 1
1 175 . 6 1 1 A 19 19 LYS CB C 19 31.900 32.276 -0.376 1
1 179 . 6 1 1 A 19 19 LYS N N 19 119.200 118.927 0.273 1
1 180 . 6 1 1 A 20 20 GLY H H 20 8.640 8.810 -0.170 1
1 181 . 6 1 1 A 20 20 GLY HA2 H 20 3.790 3.864 -0.074 1
1 182 . 6 1 1 A 20 20 GLY HA3 H 20 3.500 3.924 -0.424 1
1 183 . 6 1 1 A 20 20 GLY CA C 20 46.400 47.154 -0.754 1
1 184 . 6 1 1 A 20 20 GLY N N 20 110.300 108.490 1.810 1
1 185 . 6 1 1 A 21 21 ALA H H 21 8.550 8.309 0.241 1
1 186 . 6 1 1 A 21 21 ALA HA H 21 4.490 4.351 0.139 1
1 190 . 6 1 1 A 21 21 ALA CA C 21 55.100 54.698 0.402 1
1 191 . 6 1 1 A 21 21 ALA CB C 21 17.300 18.407 -1.107 1
1 192 . 6 1 1 A 21 21 ALA N N 21 125.300 125.000 0.300 1
1 193 . 6 1 1 A 22 22 ASP H H 22 7.660 8.183 -0.523 1
1 194 . 6 1 1 A 22 22 ASP HA H 22 4.460 4.351 0.109 1
1 197 . 6 1 1 A 22 22 ASP CA C 22 56.900 57.013 -0.113 1
1 198 . 6 1 1 A 22 22 ASP CB C 22 40.500 40.809 -0.309 1
1 199 . 6 1 1 A 22 22 ASP N N 22 119.000 118.468 0.532 1
1 200 . 6 1 1 A 23 23 ARG H H 23 8.110 8.372 -0.262 1
1 201 . 6 1 1 A 23 23 ARG HA H 23 4.000 3.938 0.062 1
1 208 . 6 1 1 A 23 23 ARG CA C 23 59.200 58.921 0.279 1
1 209 . 6 1 1 A 23 23 ARG CB C 23 30.700 29.652 1.048 1
1 212 . 6 1 1 A 23 23 ARG N N 23 121.800 120.176 1.624 1
1 213 . 6 1 1 A 24 24 TYR H H 24 8.460 8.275 0.185 1
1 214 . 6 1 1 A 24 24 TYR HA H 24 3.780 4.001 -0.221 1
1 221 . 6 1 1 A 24 24 TYR CA C 24 60.900 60.759 0.141 1
1 222 . 6 1 1 A 24 24 TYR CB C 24 39.400 38.062 1.338 1
1 225 . 6 1 1 A 24 24 TYR N N 24 120.400 120.572 -0.172 1
1 226 . 6 1 1 A 25 25 GLN H H 25 7.540 8.578 -1.038 1
1 227 . 6 1 1 A 25 25 GLN HA H 25 3.750 3.954 -0.204 1
1 232 . 6 1 1 A 25 25 GLN CA C 25 57.800 58.547 -0.747 1
1 233 . 6 1 1 A 25 25 GLN CB C 25 28.400 28.025 0.375 1
1 235 . 6 1 1 A 25 25 GLN N N 25 117.500 117.654 -0.154 1
1 236 . 6 1 1 A 26 26 GLU H H 26 7.980 7.543 0.437 1
1 237 . 6 1 1 A 26 26 GLU HA H 26 4.010 4.103 -0.093 1
1 242 . 6 1 1 A 26 26 GLU CA C 26 57.900 59.025 -1.125 1
1 243 . 6 1 1 A 26 26 GLU CB C 26 29.700 29.352 0.348 1
1 245 . 6 1 1 A 26 26 GLU N N 26 117.900 118.406 -0.506 1
1 246 . 6 1 1 A 32 32 HIS HA H 32 4.620 4.800 -0.180 1
1 249 . 6 1 1 A 32 32 HIS CA C 32 56.900 55.925 0.975 1
1 250 . 6 1 1 A 32 32 HIS CB C 32 64.000 29.890 34.110 1
1 251 . 6 1 1 A 33 33 SER HA H 33 4.610 4.136 0.474 1
1 254 . 6 1 1 A 33 33 SER CA C 33 56.900 58.891 -1.991 1
1 255 . 6 1 1 A 33 33 SER CB C 33 64.000 62.380 1.620 1
1 256 . 6 1 1 A 34 34 TYR HA H 34 4.630 4.857 -0.227 1
1 263 . 6 1 1 A 34 34 TYR CA C 34 56.900 57.465 -0.565 1
1 264 . 6 1 1 A 34 34 TYR CB C 34 40.700 40.008 0.692 1
1 267 . 6 1 1 A 36 36 PHE HA H 36 3.910 4.763 -0.853 1
1 275 . 6 1 1 A 36 36 PHE CA C 36 62.000 57.909 4.091 1
1 276 . 6 1 1 A 36 36 PHE CB C 36 39.200 40.610 -1.410 1
1 280 . 6 1 1 A 37 37 PHE H H 37 8.090 7.831 0.259 1
1 281 . 6 1 1 A 37 37 PHE HA H 37 3.980 4.817 -0.837 1
1 289 . 6 1 1 A 37 37 PHE CA C 37 61.600 57.113 4.487 1
1 290 . 6 1 1 A 37 37 PHE CB C 37 38.600 41.153 -2.553 1
1 294 . 6 1 1 A 37 37 PHE N N 37 116.200 115.680 0.520 1
1 295 . 6 1 1 A 38 38 GLU H H 38 9.000 8.593 0.407 1
1 296 . 6 1 1 A 38 38 GLU HA H 38 4.130 4.152 -0.022 1
1 301 . 6 1 1 A 38 38 GLU CA C 38 57.700 58.509 -0.809 1
1 302 . 6 1 1 A 38 38 GLU CB C 38 30.600 29.960 0.640 1
1 304 . 6 1 1 A 38 38 GLU N N 38 116.000 121.714 -5.714 1
1 305 . 6 1 1 A 39 39 THR H H 39 7.390 7.919 -0.529 1
1 306 . 6 1 1 A 39 39 THR HA H 39 4.280 4.519 -0.239 1
1 311 . 6 1 1 A 39 39 THR CA C 39 64.100 63.073 1.027 1
1 312 . 6 1 1 A 39 39 THR CB C 39 70.000 70.822 -0.822 1
1 314 . 6 1 1 A 39 39 THR N N 39 110.400 113.308 -2.908 1
1 315 . 6 1 1 A 40 40 ILE H H 40 7.250 7.121 0.129 1
1 316 . 6 1 1 A 40 40 ILE HA H 40 2.570 3.328 -0.758 1
1 326 . 6 1 1 A 40 40 ILE CA C 40 65.800 64.839 0.961 1
1 327 . 6 1 1 A 40 40 ILE CB C 40 37.300 36.730 0.570 1
1 331 . 6 1 1 A 40 40 ILE N N 40 120.900 121.613 -0.713 1
1 332 . 6 1 1 A 41 41 LYS H H 41 8.400 8.097 0.303 1
1 333 . 6 1 1 A 41 41 LYS HA H 41 3.650 4.029 -0.379 1
1 336 . 6 1 1 A 41 41 LYS CA C 41 59.000 61.579 -2.579 1
1 337 . 6 1 1 A 41 41 LYS CB C 41 29.700 30.538 -0.838 1
1 338 . 6 1 1 A 41 41 LYS N N 41 118.800 119.383 -0.583 1
1 339 . 6 1 1 A 42 42 PRO HA H 42 4.280 4.354 -0.074 1
1 346 . 6 1 1 A 42 42 PRO CA C 42 65.300 66.297 -0.997 1
1 347 . 6 1 1 A 42 42 PRO CB C 42 30.200 30.736 -0.536 1
1 350 . 6 1 1 A 43 43 ALA H H 43 6.790 7.854 -1.064 1
1 351 . 6 1 1 A 43 43 ALA HA H 43 4.190 4.042 0.148 1
1 355 . 6 1 1 A 43 43 ALA CA C 43 54.900 55.323 -0.423 1
1 356 . 6 1 1 A 43 43 ALA CB C 43 18.000 18.297 -0.297 1
1 357 . 6 1 1 A 43 43 ALA N N 43 119.500 118.853 0.647 1
1 358 . 6 1 1 A 44 44 VAL H H 44 8.380 8.199 0.181 1
1 359 . 6 1 1 A 44 44 VAL HA H 44 3.460 3.396 0.064 1
1 367 . 6 1 1 A 44 44 VAL CA C 44 67.200 67.045 0.155 1
1 368 . 6 1 1 A 44 44 VAL CB C 44 31.500 31.471 0.029 1
1 371 . 6 1 1 A 44 44 VAL N N 44 120.500 118.408 2.092 1
1 372 . 6 1 1 A 45 45 GLU H H 45 8.410 7.750 0.660 1
1 373 . 6 1 1 A 45 45 GLU HA H 45 4.060 4.059 0.001 1
1 378 . 6 1 1 A 45 45 GLU CA C 45 59.600 59.599 0.001 1
1 379 . 6 1 1 A 45 45 GLU CB C 45 29.300 29.360 -0.060 1
1 381 . 6 1 1 A 45 45 GLU N N 45 118.400 118.983 -0.583 1
1 382 . 6 1 1 A 46 46 GLU H H 46 8.390 8.205 0.185 1
1 383 . 6 1 1 A 46 46 GLU HA H 46 4.200 4.079 0.121 1
1 388 . 6 1 1 A 46 46 GLU CA C 46 58.900 59.059 -0.159 1
1 389 . 6 1 1 A 46 46 GLU CB C 46 29.300 29.173 0.127 1
1 391 . 6 1 1 A 46 46 GLU N N 46 118.800 120.668 -1.868 1
1 392 . 6 1 1 A 47 47 ASN H H 47 7.700 8.437 -0.737 1
1 393 . 6 1 1 A 47 47 ASN HA H 47 4.900 4.714 0.186 1
1 398 . 6 1 1 A 47 47 ASN CA C 47 57.100 55.889 1.211 1
1 399 . 6 1 1 A 47 47 ASN CB C 47 39.000 37.989 1.011 1
1 400 . 6 1 1 A 47 47 ASN N N 47 118.000 118.865 -0.865 1
1 402 . 6 1 1 A 48 48 ASP H H 48 8.810 8.193 0.617 1
1 403 . 6 1 1 A 48 48 ASP HA H 48 4.520 4.378 0.142 1
1 406 . 6 1 1 A 48 48 ASP CA C 48 57.800 57.735 0.065 1
1 407 . 6 1 1 A 48 48 ASP CB C 48 41.700 41.358 0.342 1
1 408 . 6 1 1 A 48 48 ASP N N 48 124.000 119.486 4.514 1
1 409 . 6 1 1 A 49 49 GLU H H 49 7.310 8.089 -0.779 1
1 410 . 6 1 1 A 49 49 GLU HA H 49 4.070 4.136 -0.066 1
1 415 . 6 1 1 A 49 49 GLU CA C 49 59.500 59.181 0.319 1
1 416 . 6 1 1 A 49 49 GLU CB C 49 29.300 30.031 -0.731 1
1 418 . 6 1 1 A 49 49 GLU N N 49 117.600 118.570 -0.970 1
1 419 . 6 1 1 A 50 50 LEU H H 50 7.590 8.459 -0.869 1
1 420 . 6 1 1 A 50 50 LEU HA H 50 4.160 4.134 0.026 1
1 430 . 6 1 1 A 50 50 LEU CA C 50 58.000 58.271 -0.271 1
1 431 . 6 1 1 A 50 50 LEU CB C 50 41.800 41.742 0.058 1
1 435 . 6 1 1 A 50 50 LEU N N 50 119.500 122.253 -2.753 1
1 436 . 6 1 1 A 51 51 ALA H H 51 8.620 8.770 -0.150 1
1 437 . 6 1 1 A 51 51 ALA HA H 51 4.210 4.072 0.138 1
1 441 . 6 1 1 A 51 51 ALA CA C 51 54.900 55.400 -0.500 1
1 442 . 6 1 1 A 51 51 ALA CB C 51 18.600 18.185 0.415 1
1 443 . 6 1 1 A 51 51 ALA N N 51 118.900 120.721 -1.821 1
1 444 . 6 1 1 A 52 52 ALA H H 52 8.410 8.212 0.198 1
1 445 . 6 1 1 A 52 52 ALA HA H 52 4.210 4.122 0.088 1
1 449 . 6 1 1 A 52 52 ALA CA C 52 55.100 55.446 -0.346 1
1 450 . 6 1 1 A 52 52 ALA CB C 52 18.400 18.209 0.191 1
1 451 . 6 1 1 A 52 52 ALA N N 52 119.400 121.161 -1.761 1
1 452 . 6 1 1 A 53 53 ARG H H 53 8.070 8.212 -0.142 1
1 453 . 6 1 1 A 53 53 ARG HA H 53 4.130 4.114 0.016 1
1 460 . 6 1 1 A 53 53 ARG CA C 53 59.100 58.886 0.214 1
1 461 . 6 1 1 A 53 53 ARG CB C 53 30.900 29.755 1.145 1
1 464 . 6 1 1 A 53 53 ARG N N 53 119.500 119.056 0.444 1
1 465 . 6 1 1 A 54 54 TRP H H 54 9.270 8.282 0.988 1
1 466 . 6 1 1 A 54 54 TRP HA H 54 3.830 4.229 -0.399 1
1 475 . 6 1 1 A 54 54 TRP CA C 54 62.400 61.417 0.983 1
1 476 . 6 1 1 A 54 54 TRP CB C 54 29.200 29.299 -0.099 1
1 482 . 6 1 1 A 54 54 TRP N N 54 124.000 122.205 1.795 1
1 484 . 6 1 1 A 55 55 ALA H H 55 8.810 8.665 0.145 1
1 485 . 6 1 1 A 55 55 ALA HA H 55 3.220 3.815 -0.595 1
1 489 . 6 1 1 A 55 55 ALA CA C 55 55.100 55.325 -0.225 1
1 490 . 6 1 1 A 55 55 ALA CB C 55 17.500 18.062 -0.562 1
1 491 . 6 1 1 A 55 55 ALA N N 55 120.800 121.486 -0.686 1
1 492 . 6 1 1 A 56 56 GLU H H 56 7.460 8.440 -0.980 1
1 493 . 6 1 1 A 56 56 GLU HA H 56 3.880 4.032 -0.152 1
1 498 . 6 1 1 A 56 56 GLU CA C 56 59.200 59.386 -0.186 1
1 499 . 6 1 1 A 56 56 GLU CB C 56 29.500 29.174 0.326 1
1 501 . 6 1 1 A 56 56 GLU N N 56 114.800 117.899 -3.099 1
1 502 . 6 1 1 A 57 57 GLY H H 57 7.650 8.367 -0.717 1
1 503 . 6 1 1 A 57 57 GLY HA2 H 57 3.490 3.762 -0.272 1
1 504 . 6 1 1 A 57 57 GLY HA3 H 57 3.850 3.793 0.057 1
1 505 . 6 1 1 A 57 57 GLY CA C 57 47.100 47.025 0.075 1
1 506 . 6 1 1 A 57 57 GLY N N 57 106.000 108.989 -2.989 1
1 507 . 6 1 1 A 58 58 ALA H H 58 8.950 7.957 0.993 1
1 508 . 6 1 1 A 58 58 ALA HA H 58 3.640 3.706 -0.066 1
1 512 . 6 1 1 A 58 58 ALA CA C 58 54.500 54.571 -0.071 1
1 513 . 6 1 1 A 58 58 ALA CB C 58 16.700 18.410 -1.710 1
1 514 . 6 1 1 A 58 58 ALA N N 58 127.400 124.991 2.409 1
1 515 . 6 1 1 A 59 59 LEU H H 59 8.370 8.268 0.102 1
1 516 . 6 1 1 A 59 59 LEU HA H 59 3.920 3.935 -0.015 1
1 526 . 6 1 1 A 59 59 LEU CA C 59 57.300 57.532 -0.232 1
1 527 . 6 1 1 A 59 59 LEU CB C 59 40.800 41.420 -0.620 1
1 531 . 6 1 1 A 59 59 LEU N N 59 116.800 118.742 -1.942 1
1 532 . 6 1 1 A 60 60 GLU H H 60 7.310 8.432 -1.122 1
1 533 . 6 1 1 A 60 60 GLU HA H 60 4.030 4.015 0.015 1
1 538 . 6 1 1 A 60 60 GLU CA C 60 58.800 59.150 -0.350 1
1 539 . 6 1 1 A 60 60 GLU CB C 60 28.900 29.368 -0.468 1
1 541 . 6 1 1 A 60 60 GLU N N 60 119.000 120.828 -1.828 1
1 542 . 6 1 1 A 61 61 LEU H H 61 7.700 7.959 -0.259 1
1 543 . 6 1 1 A 61 61 LEU HA H 61 4.000 4.002 -0.002 1
1 553 . 6 1 1 A 61 61 LEU CA C 61 58.100 58.599 -0.499 1
1 554 . 6 1 1 A 61 61 LEU CB C 61 41.400 41.441 -0.041 1
1 558 . 6 1 1 A 61 61 LEU N N 61 120.800 120.673 0.127 1
1 559 . 6 1 1 A 62 62 ILE H H 62 7.510 7.517 -0.007 1
1 560 . 6 1 1 A 62 62 ILE HA H 62 4.040 3.765 0.275 1
1 570 . 6 1 1 A 62 62 ILE CA C 62 63.200 64.058 -0.858 1
1 571 . 6 1 1 A 62 62 ILE CB C 62 37.200 37.184 0.016 1
1 575 . 6 1 1 A 62 62 ILE N N 62 110.700 114.807 -4.107 1
1 576 . 6 1 1 A 63 63 LYS H H 63 7.520 7.793 -0.273 1
1 577 . 6 1 1 A 63 63 LYS HA H 63 4.070 4.072 -0.002 1
1 586 . 6 1 1 A 63 63 LYS CA C 63 58.600 59.030 -0.430 1
1 587 . 6 1 1 A 63 63 LYS CB C 63 32.800 32.066 0.734 1
1 590 . 6 1 1 A 63 63 LYS N N 63 121.100 122.831 -1.731 1
1 591 . 6 1 1 A 64 64 VAL H H 64 7.630 8.111 -0.481 1
1 592 . 6 1 1 A 64 64 VAL HA H 64 3.950 3.485 0.465 1
1 600 . 6 1 1 A 64 64 VAL CA C 64 63.900 66.594 -2.694 1
1 601 . 6 1 1 A 64 64 VAL CB C 64 32.400 31.604 0.796 1
1 604 . 6 1 1 A 64 64 VAL N N 64 115.200 120.437 -5.237 1
1 605 . 6 1 1 A 65 65 ARG H H 65 7.980 7.751 0.229 1
1 606 . 6 1 1 A 65 65 ARG HA H 65 4.390 4.418 -0.028 1
1 613 . 6 1 1 A 65 65 ARG CA C 65 55.200 57.191 -1.991 1
1 614 . 6 1 1 A 65 65 ARG CB C 65 31.500 31.404 0.096 1
1 617 . 6 1 1 A 65 65 ARG N N 65 118.300 119.449 -1.149 1
1 618 . 6 1 1 A 66 66 ARG HA H 66 4.340 4.552 -0.212 1
1 621 . 6 1 1 A 66 66 ARG CA C 66 54.900 54.310 0.590 1
1 622 . 6 1 1 A 66 66 ARG CB C 66 29.200 33.712 -4.512 1
1 629 . 6 1 1 A 68 68 LYS HA H 68 4.100 4.367 -0.267 1
1 638 . 6 1 1 A 68 68 LYS CA C 68 57.900 55.704 2.196 1
1 639 . 6 1 1 A 68 68 LYS CB C 68 34.100 34.830 -0.730 1
1 643 . 6 1 1 A 69 69 TYR HA H 69 4.760 4.096 0.664 1
1 650 . 6 1 1 A 69 69 TYR CA C 69 57.800 61.852 -4.052 1
1 651 . 6 1 1 A 69 69 TYR CB C 69 39.600 36.717 2.883 1
1 654 . 6 1 1 A 70 70 VAL H H 70 6.950 8.057 -1.107 1
1 655 . 6 1 1 A 70 70 VAL HA H 70 4.720 4.197 0.523 1
1 663 . 6 1 1 A 70 70 VAL CA C 70 60.000 62.058 -2.058 1
1 664 . 6 1 1 A 70 70 VAL CB C 70 34.500 32.422 2.078 1
1 667 . 6 1 1 A 70 70 VAL N N 70 115.400 120.155 -4.755 1
1 668 . 6 1 1 A 71 71 HIS H H 71 7.870 8.791 -0.921 1
1 669 . 6 1 1 A 71 71 HIS HA H 71 4.910 4.937 -0.027 1
1 673 . 6 1 1 A 71 71 HIS CA C 71 54.100 54.725 -0.625 1
1 674 . 6 1 1 A 71 71 HIS CB C 71 33.700 34.134 -0.434 1
1 676 . 6 1 1 A 71 71 HIS N N 71 120.600 125.132 -4.532 1
1 677 . 6 1 1 A 72 72 LYS H H 72 8.400 8.805 -0.405 1
1 678 . 6 1 1 A 72 72 LYS HA H 72 3.680 3.856 -0.176 1
1 687 . 6 1 1 A 72 72 LYS CA C 72 60.600 60.193 0.407 1
1 688 . 6 1 1 A 72 72 LYS CB C 72 32.800 32.139 0.661 1
1 692 . 6 1 1 A 73 73 GLU H H 73 9.680 8.538 1.142 1
1 693 . 6 1 1 A 73 73 GLU HA H 73 4.170 4.007 0.163 1
1 698 . 6 1 1 A 73 73 GLU CA C 73 60.000 59.695 0.305 1
1 699 . 6 1 1 A 73 73 GLU CB C 73 28.300 29.319 -1.019 1
1 701 . 6 1 1 A 73 73 GLU N N 73 117.300 118.361 -1.061 1
1 702 . 6 1 1 A 74 74 GLN H H 74 7.360 7.933 -0.573 1
1 703 . 6 1 1 A 74 74 GLN HA H 74 4.180 4.134 0.046 1
1 710 . 6 1 1 A 74 74 GLN CA C 74 58.300 58.658 -0.358 1
1 711 . 6 1 1 A 74 74 GLN CB C 74 28.300 28.554 -0.254 1
1 713 . 6 1 1 A 74 74 GLN N N 74 117.700 118.449 -0.749 1
1 715 . 6 1 1 A 75 75 ILE H H 75 7.530 8.343 -0.813 1
1 716 . 6 1 1 A 75 75 ILE HA H 75 3.780 3.873 -0.093 1
1 726 . 6 1 1 A 75 75 ILE CA C 75 64.100 65.614 -1.514 1
1 727 . 6 1 1 A 75 75 ILE CB C 75 36.800 37.562 -0.762 1
1 731 . 6 1 1 A 75 75 ILE N N 75 120.600 121.090 -0.490 1
1 732 . 6 1 1 A 76 76 GLU H H 76 8.340 8.624 -0.284 1
1 733 . 6 1 1 A 76 76 GLU HA H 76 3.970 4.119 -0.149 1
1 738 . 6 1 1 A 76 76 GLU CA C 76 59.200 59.308 -0.108 1
1 739 . 6 1 1 A 76 76 GLU CB C 76 29.700 29.532 0.168 1
1 741 . 6 1 1 A 76 76 GLU N N 76 117.500 122.015 -4.515 1
1 742 . 6 1 1 A 77 77 ALA H H 77 7.390 7.634 -0.244 1
1 743 . 6 1 1 A 77 77 ALA HA H 77 4.370 4.119 0.251 1
1 747 . 6 1 1 A 77 77 ALA CA C 77 53.400 55.174 -1.774 1
1 748 . 6 1 1 A 77 77 ALA CB C 77 18.800 18.493 0.307 1
1 749 . 6 1 1 A 77 77 ALA N N 77 118.600 122.626 -4.026 1
1 750 . 6 1 1 A 78 78 VAL H H 78 7.620 8.562 -0.942 1
1 751 . 6 1 1 A 78 78 VAL HA H 78 3.720 3.384 0.336 1
1 759 . 6 1 1 A 78 78 VAL CA C 78 66.700 66.942 -0.242 1
1 760 . 6 1 1 A 78 78 VAL CB C 78 31.500 31.466 0.034 1
1 763 . 6 1 1 A 78 78 VAL N N 78 116.800 119.120 -2.320 1
1 764 . 6 1 1 A 79 79 LYS H H 79 8.570 8.226 0.344 1
1 765 . 6 1 1 A 79 79 LYS HA H 79 3.780 4.042 -0.262 1
1 774 . 6 1 1 A 79 79 LYS CA C 79 61.800 59.889 1.911 1
1 775 . 6 1 1 A 79 79 LYS CB C 79 31.500 32.451 -0.951 1
1 779 . 6 1 1 A 79 79 LYS N N 79 119.500 120.537 -1.037 1
1 780 . 6 1 1 A 80 80 ASP H H 80 8.350 7.824 0.526 1
1 781 . 6 1 1 A 80 80 ASP HA H 80 4.490 4.413 0.077 1
1 784 . 6 1 1 A 80 80 ASP CA C 80 57.300 57.460 -0.160 1
1 785 . 6 1 1 A 80 80 ASP CB C 80 40.000 41.168 -1.168 1
1 786 . 6 1 1 A 80 80 ASP N N 80 115.500 119.163 -3.663 1
1 787 . 6 1 1 A 81 81 ASN H H 81 7.690 8.690 -1.000 1
1 788 . 6 1 1 A 81 81 ASN HA H 81 4.540 4.462 0.078 1
1 793 . 6 1 1 A 81 81 ASN CA C 81 55.500 56.359 -0.859 1
1 794 . 6 1 1 A 81 81 ASN CB C 81 38.600 37.778 0.822 1
1 795 . 6 1 1 A 81 81 ASN N N 81 118.300 117.537 0.763 1
1 797 . 6 1 1 A 82 82 PHE H H 82 9.620 8.634 0.986 1
1 798 . 6 1 1 A 82 82 PHE HA H 82 4.060 4.130 -0.070 1
1 806 . 6 1 1 A 82 82 PHE CA C 82 60.900 61.308 -0.408 1
1 807 . 6 1 1 A 82 82 PHE CB C 82 39.500 39.377 0.123 1
1 811 . 6 1 1 A 82 82 PHE N N 82 121.400 123.099 -1.699 1
1 812 . 6 1 1 A 83 83 LEU H H 83 8.210 8.117 0.093 1
1 813 . 6 1 1 A 83 83 LEU HA H 83 3.900 3.711 0.189 1
1 823 . 6 1 1 A 83 83 LEU CA C 83 57.000 57.843 -0.843 1
1 824 . 6 1 1 A 83 83 LEU CB C 83 40.400 41.332 -0.932 1
1 828 . 6 1 1 A 83 83 LEU N N 83 117.400 118.929 -1.529 1
1 829 . 6 1 1 A 84 84 GLU H H 84 7.660 7.861 -0.201 1
1 830 . 6 1 1 A 84 84 GLU HA H 84 4.150 4.063 0.087 1
1 835 . 6 1 1 A 84 84 GLU CA C 84 59.500 59.403 0.097 1
1 836 . 6 1 1 A 84 84 GLU CB C 84 28.700 29.441 -0.741 1
1 838 . 6 1 1 A 84 84 GLU N N 84 121.500 118.275 3.225 1
1 839 . 6 1 1 A 85 85 LEU H H 85 8.100 8.507 -0.407 1
1 840 . 6 1 1 A 85 85 LEU HA H 85 3.600 3.860 -0.260 1
1 850 . 6 1 1 A 85 85 LEU CA C 85 59.300 58.233 1.067 1
1 851 . 6 1 1 A 85 85 LEU CB C 85 41.800 41.279 0.521 1
1 855 . 6 1 1 A 85 85 LEU N N 85 121.700 122.486 -0.786 1
1 856 . 6 1 1 A 86 86 VAL H H 86 8.220 7.896 0.324 1
1 857 . 6 1 1 A 86 86 VAL HA H 86 3.100 3.585 -0.485 1
1 865 . 6 1 1 A 86 86 VAL CA C 86 67.200 66.810 0.390 1
1 866 . 6 1 1 A 86 86 VAL CB C 86 31.500 31.462 0.038 1
1 869 . 6 1 1 A 86 86 VAL N N 86 118.400 119.302 -0.902 1
1 870 . 6 1 1 A 87 87 LEU H H 87 8.450 8.053 0.397 1
1 871 . 6 1 1 A 87 87 LEU HA H 87 3.960 4.101 -0.141 1
1 881 . 6 1 1 A 87 87 LEU CA C 87 59.100 58.693 0.407 1
1 882 . 6 1 1 A 87 87 LEU CB C 87 42.300 41.674 0.626 1
1 886 . 6 1 1 A 87 87 LEU N N 87 120.200 120.030 0.170 1
1 887 . 6 1 1 A 88 88 GLN H H 88 9.350 8.757 0.593 1
1 888 . 6 1 1 A 88 88 GLN HA H 88 4.180 4.369 -0.189 1
1 895 . 6 1 1 A 88 88 GLN CA C 88 57.300 58.764 -1.464 1
1 896 . 6 1 1 A 88 88 GLN CB C 88 25.400 28.169 -2.769 1
1 898 . 6 1 1 A 88 88 GLN N N 88 114.900 118.597 -3.697 1
1 900 . 6 1 1 A 89 89 SER H H 89 8.680 8.099 0.581 1
1 901 . 6 1 1 A 89 89 SER HA H 89 4.080 4.331 -0.251 1
1 904 . 6 1 1 A 89 89 SER CA C 89 61.900 60.832 1.068 1
1 905 . 6 1 1 A 89 89 SER CB C 89 62.200 63.024 -0.824 1
1 906 . 6 1 1 A 89 89 SER N N 89 117.500 115.883 1.617 1
1 907 . 6 1 1 A 90 90 TYR H H 90 7.330 7.677 -0.347 1
1 908 . 6 1 1 A 90 90 TYR HA H 90 4.320 4.411 -0.091 1
1 915 . 6 1 1 A 90 90 TYR CA C 90 59.700 59.649 0.051 1
1 916 . 6 1 1 A 90 90 TYR CB C 90 41.400 39.395 2.005 1
1 919 . 6 1 1 A 90 90 TYR N N 90 116.000 118.348 -2.348 1
1 920 . 6 1 1 A 91 91 VAL H H 91 7.730 7.978 -0.248 1
1 921 . 6 1 1 A 91 91 VAL HA H 91 4.010 3.785 0.225 1
1 929 . 6 1 1 A 91 91 VAL CA C 91 62.600 65.036 -2.436 1
1 930 . 6 1 1 A 91 91 VAL CB C 91 32.700 32.659 0.041 1
1 933 . 6 1 1 A 91 91 VAL N N 91 110.500 116.142 -5.642 1
1 934 . 6 1 1 A 92 92 HIS H H 92 8.600 7.886 0.714 1
1 935 . 6 1 1 A 92 92 HIS HA H 92 4.280 4.526 -0.246 1
1 939 . 6 1 1 A 92 92 HIS CA C 92 56.000 57.180 -1.180 1
1 940 . 6 1 1 A 92 92 HIS CB C 92 29.200 26.873 2.327 1
1 942 . 6 1 1 A 92 92 HIS N N 92 114.500 115.686 -1.186 1
1 943 . 6 1 1 A 93 93 HIS H H 93 8.350 7.660 0.690 1
1 944 . 6 1 1 A 93 93 HIS HA H 93 4.780 4.340 0.440 1
1 948 . 6 1 1 A 93 93 HIS CA C 93 57.600 59.393 -1.793 1
1 949 . 6 1 1 A 93 93 HIS CB C 93 31.900 29.996 1.904 1
1 951 . 6 1 1 A 93 93 HIS N N 93 118.200 117.642 0.558 1
1 952 . 6 1 1 A 94 94 ILE H H 94 7.470 7.629 -0.159 1
1 953 . 6 1 1 A 94 94 ILE HA H 94 4.370 4.424 -0.054 1
1 963 . 6 1 1 A 94 94 ILE CA C 94 60.900 59.630 1.270 1
1 964 . 6 1 1 A 94 94 ILE CB C 94 39.600 40.046 -0.446 1
1 968 . 6 1 1 A 94 94 ILE N N 94 111.400 115.285 -3.885 1
1 969 . 6 1 1 A 95 95 HIS H H 95 6.990 8.931 -1.941 1
1 970 . 6 1 1 A 96 96 LYS HA H 96 4.040 4.334 -0.294 1
1 977 . 6 1 1 A 97 97 LYS HA H 97 4.130 4.002 0.128 1
1 986 . 6 1 1 A 97 97 LYS CA C 97 59.400 59.702 -0.302 1
1 987 . 6 1 1 A 97 97 LYS CB C 97 32.000 32.134 -0.134 1
1 991 . 6 1 1 A 98 98 ARG H H 98 7.150 7.955 -0.805 1
1 992 . 6 1 1 A 98 98 ARG HA H 98 4.150 3.937 0.213 1
1 999 . 6 1 1 A 98 98 ARG CA C 98 57.900 59.123 -1.223 1
1 1000 . 6 1 1 A 98 98 ARG CB C 98 28.600 29.695 -1.095 1
1 1003 . 6 1 1 A 98 98 ARG N N 98 118.500 119.311 -0.811 1
1 1004 . 6 1 1 A 99 99 PHE H H 99 8.260 7.975 0.285 1
1 1005 . 6 1 1 A 99 99 PHE HA H 99 3.450 4.040 -0.590 1
1 1013 . 6 1 1 A 99 99 PHE CA C 99 62.700 61.467 1.233 1
1 1014 . 6 1 1 A 99 99 PHE CB C 99 39.200 39.008 0.192 1
1 1018 . 6 1 1 A 99 99 PHE N N 99 119.100 120.392 -1.292 1
1 1019 . 6 1 1 A 100 100 LYS H H 100 8.500 7.872 0.628 1
1 1020 . 6 1 1 A 100 100 LYS HA H 100 3.980 3.974 0.006 1
1 1029 . 6 1 1 A 100 100 LYS CA C 100 59.300 60.168 -0.868 1
1 1030 . 6 1 1 A 100 100 LYS CB C 100 31.900 32.425 -0.525 1
1 1034 . 6 1 1 A 100 100 LYS N N 100 121.700 118.643 3.057 1
1 1035 . 6 1 1 A 101 101 ASP H H 101 8.150 7.742 0.408 1
1 1036 . 6 1 1 A 101 101 ASP HA H 101 4.290 4.390 -0.100 1
1 1039 . 6 1 1 A 101 101 ASP CA C 101 57.300 57.291 0.009 1
1 1040 . 6 1 1 A 101 101 ASP CB C 101 39.900 41.150 -1.250 1
1 1041 . 6 1 1 A 101 101 ASP N N 101 119.800 119.553 0.247 1
1 1042 . 6 1 1 A 102 102 ILE H H 102 8.220 7.869 0.351 1
1 1043 . 6 1 1 A 102 102 ILE HA H 102 3.690 3.610 0.080 1
1 1053 . 6 1 1 A 102 102 ILE CA C 102 65.000 65.092 -0.092 1
1 1054 . 6 1 1 A 102 102 ILE CB C 102 37.700 37.706 -0.006 1
1 1058 . 6 1 1 A 102 102 ILE N N 102 118.800 119.558 -0.758 1
1 1059 . 6 1 1 A 103 103 THR H H 103 7.930 8.224 -0.294 1
1 1060 . 6 1 1 A 103 103 THR HA H 103 3.480 3.694 -0.214 1
1 1066 . 6 1 1 A 103 103 THR CA C 103 67.300 66.989 0.311 1
1 1067 . 6 1 1 A 103 103 THR CB C 103 67.700 68.250 -0.550 1
1 1069 . 6 1 1 A 103 103 THR N N 103 117.900 117.545 0.355 1
1 1070 . 6 1 1 A 104 104 GLU H H 104 8.470 8.701 -0.231 1
1 1071 . 6 1 1 A 104 104 GLU HA H 104 3.920 3.898 0.022 1
1 1076 . 6 1 1 A 104 104 GLU CA C 104 59.500 59.738 -0.238 1
1 1077 . 6 1 1 A 104 104 GLU CB C 104 29.200 29.284 -0.084 1
1 1079 . 6 1 1 A 104 104 GLU N N 104 118.900 120.391 -1.491 1
1 1080 . 6 1 1 A 105 105 SER H H 105 7.840 8.339 -0.499 1
1 1081 . 6 1 1 A 105 105 SER HA H 105 4.290 4.119 0.171 1
1 1084 . 6 1 1 A 105 105 SER CA C 105 60.900 62.487 -1.587 1
1 1085 . 6 1 1 A 105 105 SER CB C 105 62.700 63.062 -0.362 1
1 1086 . 6 1 1 A 105 105 SER N N 105 114.200 116.636 -2.436 1
1 1087 . 6 1 1 A 106 106 VAL H H 106 8.290 8.012 0.278 1
1 1088 . 6 1 1 A 106 106 VAL HA H 106 3.690 3.563 0.127 1
1 1096 . 6 1 1 A 106 106 VAL CA C 106 66.300 66.856 -0.556 1
1 1097 . 6 1 1 A 106 106 VAL CB C 106 31.900 31.688 0.212 1
1 1100 . 6 1 1 A 106 106 VAL N N 106 122.100 122.333 -0.233 1
1 1101 . 6 1 1 A 107 107 LEU H H 107 8.560 8.604 -0.044 1
1 1102 . 6 1 1 A 107 107 LEU HA H 107 3.900 3.696 0.204 1
1 1112 . 6 1 1 A 107 107 LEU CA C 107 58.300 57.806 0.494 1
1 1113 . 6 1 1 A 107 107 LEU CB C 107 41.200 41.451 -0.251 1
1 1117 . 6 1 1 A 107 107 LEU N N 107 117.500 118.089 -0.589 1
1 1118 . 6 1 1 A 108 108 TYR H H 108 8.450 8.675 -0.225 1
1 1119 . 6 1 1 A 108 108 TYR HA H 108 4.170 3.977 0.193 1
1 1126 . 6 1 1 A 108 108 TYR CA C 108 61.800 61.934 -0.134 1
1 1127 . 6 1 1 A 108 108 TYR CB C 108 37.900 38.489 -0.589 1
1 1130 . 6 1 1 A 108 108 TYR N N 108 119.000 119.741 -0.741 1
1 1131 . 6 1 1 A 109 109 THR H H 109 7.800 7.819 -0.019 1
1 1132 . 6 1 1 A 109 109 THR HA H 109 3.860 4.138 -0.278 1
1 1137 . 6 1 1 A 109 109 THR CA C 109 66.800 67.239 -0.439 1
1 1138 . 6 1 1 A 109 109 THR CB C 109 67.800 67.876 -0.076 1
1 1140 . 6 1 1 A 109 109 THR N N 109 116.500 114.610 1.890 1
1 1141 . 6 1 1 A 110 110 LEU H H 110 8.510 8.231 0.279 1
1 1142 . 6 1 1 A 110 110 LEU HA H 110 3.900 4.058 -0.158 1
1 1152 . 6 1 1 A 110 110 LEU CA C 110 58.500 57.843 0.657 1
1 1153 . 6 1 1 A 110 110 LEU CB C 110 41.300 41.709 -0.409 1
1 1157 . 6 1 1 A 110 110 LEU N N 110 121.000 121.000 0.000 1
1 1158 . 6 1 1 A 111 111 HIS H H 111 8.440 8.399 0.041 1
1 1159 . 6 1 1 A 111 111 HIS HA H 111 4.000 4.243 -0.243 1
1 1163 . 6 1 1 A 111 111 HIS CA C 111 60.900 60.268 0.632 1
1 1164 . 6 1 1 A 111 111 HIS CB C 111 29.700 29.383 0.317 1
1 1166 . 6 1 1 A 111 111 HIS N N 111 116.300 117.837 -1.537 1
1 1167 . 6 1 1 A 112 112 ALA H H 112 7.920 7.767 0.153 1
1 1168 . 6 1 1 A 112 112 ALA HA H 112 4.130 3.795 0.335 1
1 1172 . 6 1 1 A 112 112 ALA CA C 112 55.000 54.972 0.028 1
1 1173 . 6 1 1 A 112 112 ALA CB C 112 17.600 18.011 -0.411 1
1 1174 . 6 1 1 A 112 112 ALA N N 112 122.900 122.166 0.734 1
1 1175 . 6 1 1 A 113 113 VAL H H 113 8.300 7.932 0.368 1
1 1176 . 6 1 1 A 113 113 VAL HA H 113 3.540 3.439 0.101 1
1 1184 . 6 1 1 A 113 113 VAL CA C 113 67.200 66.776 0.424 1
1 1185 . 6 1 1 A 113 113 VAL CB C 113 31.000 31.591 -0.591 1
1 1188 . 6 1 1 A 113 113 VAL N N 113 119.000 118.817 0.183 1
1 1189 . 6 1 1 A 114 114 LYS H H 114 8.220 8.478 -0.258 1
1 1190 . 6 1 1 A 114 114 LYS HA H 114 3.810 3.927 -0.117 1
1 1199 . 6 1 1 A 114 114 LYS CA C 114 60.800 59.241 1.559 1
1 1200 . 6 1 1 A 114 114 LYS CB C 114 31.500 32.117 -0.617 1
1 1204 . 6 1 1 A 114 114 LYS N N 114 120.600 120.415 0.185 1
1 1205 . 6 1 1 A 115 115 ASP H H 115 8.180 8.147 0.033 1
1 1206 . 6 1 1 A 115 115 ASP HA H 115 4.300 4.295 0.005 1
1 1209 . 6 1 1 A 115 115 ASP CA C 115 56.800 57.520 -0.720 1
1 1210 . 6 1 1 A 115 115 ASP CB C 115 39.600 40.716 -1.116 1
1 1211 . 6 1 1 A 115 115 ASP N N 115 118.800 118.780 0.020 1
1 1212 . 6 1 1 A 116 116 GLU H H 116 7.990 8.039 -0.049 1
1 1213 . 6 1 1 A 116 116 GLU HA H 116 4.060 4.054 0.006 1
1 1218 . 6 1 1 A 116 116 GLU CA C 116 58.400 59.441 -1.041 1
1 1219 . 6 1 1 A 116 116 GLU CB C 116 29.000 29.538 -0.538 1
1 1221 . 6 1 1 A 116 116 GLU N N 116 120.800 118.741 2.059 1
1 1222 . 6 1 1 A 117 117 ILE H H 117 8.370 8.394 -0.024 1
1 1223 . 6 1 1 A 117 117 ILE HA H 117 3.610 3.667 -0.057 1
1 1233 . 6 1 1 A 117 117 ILE CA C 117 64.800 65.627 -0.827 1
1 1234 . 6 1 1 A 117 117 ILE CB C 117 38.600 38.099 0.501 1
1 1238 . 6 1 1 A 117 117 ILE N N 117 119.700 121.142 -1.442 1
1 1239 . 6 1 1 A 118 118 ALA H H 118 7.720 7.793 -0.073 1
1 1240 . 6 1 1 A 118 118 ALA HA H 118 4.250 4.131 0.119 1
1 1244 . 6 1 1 A 118 118 ALA CA C 118 52.900 54.664 -1.764 1
1 1245 . 6 1 1 A 118 118 ALA CB C 118 18.700 18.334 0.366 1
1 1246 . 6 1 1 A 118 118 ALA N N 118 119.900 121.721 -1.821 1
1 1247 . 6 1 1 A 119 119 ARG H H 119 7.450 7.667 -0.217 1
1 1248 . 6 1 1 A 119 119 ARG HA H 119 4.110 4.056 0.054 1
1 1255 . 6 1 1 A 119 119 ARG CA C 119 57.600 58.788 -1.188 1
1 1256 . 6 1 1 A 119 119 ARG CB C 119 31.000 29.913 1.087 1
1 1259 . 6 1 1 A 119 119 ARG N N 119 118.400 119.001 -0.601 1
1 1260 . 6 1 1 A 120 120 GLU H H 120 8.890 8.435 0.455 1
1 1261 . 6 1 1 A 120 120 GLU HA H 120 4.280 4.212 0.068 1
1 1266 . 6 1 1 A 120 120 GLU CA C 120 57.600 58.671 -1.071 1
1 1267 . 6 1 1 A 120 120 GLU CB C 120 30.100 30.101 -0.001 1
1 1269 . 6 1 1 A 120 120 GLU N N 120 114.900 118.953 -4.053 1
1 1 . 7 1 1 A 6 6 LEU HA H 6 4.230 4.178 0.052 1
1 11 . 7 1 1 A 6 6 LEU CA C 6 58.000 57.306 0.694 1
1 12 . 7 1 1 A 6 6 LEU CB C 6 40.900 41.661 -0.761 1
1 16 . 7 1 1 A 7 7 LEU H H 7 8.970 8.707 0.263 1
1 17 . 7 1 1 A 7 7 LEU HA H 7 3.970 4.035 -0.065 1
1 27 . 7 1 1 A 7 7 LEU CA C 7 58.500 58.122 0.378 1
1 28 . 7 1 1 A 7 7 LEU CB C 7 41.000 41.707 -0.707 1
1 32 . 7 1 1 A 7 7 LEU N N 7 124.300 119.990 4.310 1
1 33 . 7 1 1 A 8 8 GLU H H 8 7.910 8.441 -0.531 1
1 34 . 7 1 1 A 8 8 GLU HA H 8 4.040 3.915 0.125 1
1 39 . 7 1 1 A 8 8 GLU CA C 8 59.500 59.890 -0.390 1
1 40 . 7 1 1 A 8 8 GLU CB C 8 29.200 29.167 0.033 1
1 42 . 7 1 1 A 8 8 GLU N N 8 119.000 118.997 0.003 1
1 43 . 7 1 1 A 9 9 MET H H 9 8.520 7.854 0.666 1
1 44 . 7 1 1 A 9 9 MET HA H 9 4.030 4.242 -0.212 1
1 52 . 7 1 1 A 9 9 MET CA C 9 59.900 58.281 1.619 1
1 53 . 7 1 1 A 9 9 MET CB C 9 36.000 32.621 3.379 1
1 56 . 7 1 1 A 9 9 MET N N 9 117.500 119.041 -1.541 1
1 57 . 7 1 1 A 10 10 THR H H 10 8.470 7.922 0.548 1
1 58 . 7 1 1 A 10 10 THR HA H 10 3.550 3.885 -0.335 1
1 64 . 7 1 1 A 10 10 THR CA C 10 67.200 67.537 -0.337 1
1 65 . 7 1 1 A 10 10 THR CB C 10 68.500 68.438 0.062 1
1 67 . 7 1 1 A 10 10 THR N N 10 116.600 117.586 -0.986 1
1 68 . 7 1 1 A 11 11 GLU H H 11 8.500 8.865 -0.365 1
1 69 . 7 1 1 A 11 11 GLU HA H 11 3.910 3.873 0.037 1
1 74 . 7 1 1 A 11 11 GLU CA C 11 59.400 59.886 -0.486 1
1 75 . 7 1 1 A 11 11 GLU CB C 11 29.200 29.252 -0.052 1
1 77 . 7 1 1 A 11 11 GLU N N 11 119.400 119.737 -0.337 1
1 78 . 7 1 1 A 12 12 GLN H H 12 8.140 8.165 -0.025 1
1 79 . 7 1 1 A 12 12 GLN HA H 12 4.100 4.073 0.027 1
1 86 . 7 1 1 A 12 12 GLN CA C 12 59.000 58.685 0.315 1
1 87 . 7 1 1 A 12 12 GLN CB C 12 27.800 28.553 -0.753 1
1 89 . 7 1 1 A 12 12 GLN N N 12 120.400 119.744 0.656 1
1 91 . 7 1 1 A 13 13 MET H H 13 8.120 7.761 0.359 1
1 92 . 7 1 1 A 13 13 MET HA H 13 3.710 4.096 -0.386 1
1 100 . 7 1 1 A 13 13 MET CA C 13 59.600 58.233 1.367 1
1 101 . 7 1 1 A 13 13 MET CB C 13 33.300 31.760 1.540 1
1 104 . 7 1 1 A 13 13 MET N N 13 118.500 118.524 -0.024 1
1 105 . 7 1 1 A 14 14 ILE H H 14 8.040 8.390 -0.350 1
1 106 . 7 1 1 A 14 14 ILE HA H 14 3.270 3.563 -0.293 1
1 116 . 7 1 1 A 14 14 ILE CA C 14 65.700 65.303 0.397 1
1 117 . 7 1 1 A 14 14 ILE CB C 14 38.000 37.898 0.102 1
1 121 . 7 1 1 A 14 14 ILE N N 14 119.400 119.452 -0.052 1
1 122 . 7 1 1 A 15 15 GLU H H 15 7.700 7.838 -0.138 1
1 123 . 7 1 1 A 15 15 GLU HA H 15 4.110 4.069 0.041 1
1 128 . 7 1 1 A 15 15 GLU CA C 15 59.300 59.197 0.103 1
1 129 . 7 1 1 A 15 15 GLU CB C 15 29.200 29.378 -0.178 1
1 131 . 7 1 1 A 15 15 GLU N N 15 119.000 120.577 -1.577 1
1 132 . 7 1 1 A 16 16 VAL H H 16 8.410 8.093 0.317 1
1 133 . 7 1 1 A 16 16 VAL HA H 16 3.530 3.682 -0.152 1
1 141 . 7 1 1 A 16 16 VAL CA C 16 66.600 66.411 0.189 1
1 142 . 7 1 1 A 16 16 VAL CB C 16 31.900 31.676 0.224 1
1 145 . 7 1 1 A 16 16 VAL N N 16 119.500 120.567 -1.067 1
1 146 . 7 1 1 A 17 17 ALA H H 17 8.600 8.137 0.463 1
1 147 . 7 1 1 A 17 17 ALA HA H 17 4.080 4.076 0.004 1
1 151 . 7 1 1 A 17 17 ALA CA C 17 54.700 55.831 -1.131 1
1 152 . 7 1 1 A 17 17 ALA CB C 17 17.700 18.390 -0.690 1
1 153 . 7 1 1 A 17 17 ALA N N 17 123.100 122.081 1.019 1
1 154 . 7 1 1 A 18 18 GLU H H 18 8.850 8.167 0.683 1
1 155 . 7 1 1 A 18 18 GLU HA H 18 3.990 4.037 -0.047 1
1 160 . 7 1 1 A 18 18 GLU CA C 18 59.500 59.591 -0.091 1
1 161 . 7 1 1 A 18 18 GLU CB C 18 29.700 29.210 0.490 1
1 163 . 7 1 1 A 18 18 GLU N N 18 117.900 117.969 -0.069 1
1 164 . 7 1 1 A 19 19 LYS H H 19 8.750 8.313 0.437 1
1 165 . 7 1 1 A 19 19 LYS HA H 19 4.150 4.095 0.055 1
1 174 . 7 1 1 A 19 19 LYS CA C 19 58.700 59.182 -0.482 1
1 175 . 7 1 1 A 19 19 LYS CB C 19 31.900 32.267 -0.367 1
1 179 . 7 1 1 A 19 19 LYS N N 19 119.200 119.335 -0.135 1
1 180 . 7 1 1 A 20 20 GLY H H 20 8.640 8.784 -0.144 1
1 181 . 7 1 1 A 20 20 GLY HA2 H 20 3.790 3.864 -0.074 1
1 182 . 7 1 1 A 20 20 GLY HA3 H 20 3.500 3.888 -0.388 1
1 183 . 7 1 1 A 20 20 GLY CA C 20 46.400 47.149 -0.749 1
1 184 . 7 1 1 A 20 20 GLY N N 20 110.300 108.803 1.497 1
1 185 . 7 1 1 A 21 21 ALA H H 21 8.550 8.255 0.295 1
1 186 . 7 1 1 A 21 21 ALA HA H 21 4.490 4.603 -0.113 1
1 190 . 7 1 1 A 21 21 ALA CA C 21 55.100 54.889 0.211 1
1 191 . 7 1 1 A 21 21 ALA CB C 21 17.300 18.786 -1.486 1
1 192 . 7 1 1 A 21 21 ALA N N 21 125.300 124.782 0.518 1
1 193 . 7 1 1 A 22 22 ASP H H 22 7.660 8.058 -0.398 1
1 194 . 7 1 1 A 22 22 ASP HA H 22 4.460 4.332 0.128 1
1 197 . 7 1 1 A 22 22 ASP CA C 22 56.900 57.311 -0.411 1
1 198 . 7 1 1 A 22 22 ASP CB C 22 40.500 41.056 -0.556 1
1 199 . 7 1 1 A 22 22 ASP N N 22 119.000 118.301 0.699 1
1 200 . 7 1 1 A 23 23 ARG H H 23 8.110 8.534 -0.424 1
1 201 . 7 1 1 A 23 23 ARG HA H 23 4.000 4.032 -0.032 1
1 208 . 7 1 1 A 23 23 ARG CA C 23 59.200 59.137 0.063 1
1 209 . 7 1 1 A 23 23 ARG CB C 23 30.700 29.824 0.876 1
1 212 . 7 1 1 A 23 23 ARG N N 23 121.800 120.477 1.323 1
1 213 . 7 1 1 A 24 24 TYR H H 24 8.460 8.545 -0.085 1
1 214 . 7 1 1 A 24 24 TYR HA H 24 3.780 3.921 -0.141 1
1 221 . 7 1 1 A 24 24 TYR CA C 24 60.900 61.469 -0.569 1
1 222 . 7 1 1 A 24 24 TYR CB C 24 39.400 38.137 1.263 1
1 225 . 7 1 1 A 24 24 TYR N N 24 120.400 120.636 -0.236 1
1 226 . 7 1 1 A 25 25 GLN H H 25 7.540 8.308 -0.768 1
1 227 . 7 1 1 A 25 25 GLN HA H 25 3.750 3.842 -0.092 1
1 232 . 7 1 1 A 25 25 GLN CA C 25 57.800 58.471 -0.671 1
1 233 . 7 1 1 A 25 25 GLN CB C 25 28.400 28.050 0.350 1
1 235 . 7 1 1 A 25 25 GLN N N 25 117.500 117.603 -0.103 1
1 236 . 7 1 1 A 26 26 GLU H H 26 7.980 7.699 0.281 1
1 237 . 7 1 1 A 26 26 GLU HA H 26 4.010 4.082 -0.072 1
1 242 . 7 1 1 A 26 26 GLU CA C 26 57.900 59.089 -1.189 1
1 243 . 7 1 1 A 26 26 GLU CB C 26 29.700 29.354 0.346 1
1 245 . 7 1 1 A 26 26 GLU N N 26 117.900 118.721 -0.821 1
1 246 . 7 1 1 A 32 32 HIS HA H 32 4.620 4.898 -0.278 1
1 249 . 7 1 1 A 32 32 HIS CA C 32 56.900 55.303 1.597 1
1 250 . 7 1 1 A 32 32 HIS CB C 32 64.000 33.605 30.395 1
1 251 . 7 1 1 A 33 33 SER HA H 33 4.610 4.580 0.030 1
1 254 . 7 1 1 A 33 33 SER CA C 33 56.900 58.620 -1.720 1
1 255 . 7 1 1 A 33 33 SER CB C 33 64.000 62.690 1.310 1
1 256 . 7 1 1 A 34 34 TYR HA H 34 4.630 4.550 0.080 1
1 263 . 7 1 1 A 34 34 TYR CA C 34 56.900 59.026 -2.126 1
1 264 . 7 1 1 A 34 34 TYR CB C 34 40.700 39.104 1.596 1
1 267 . 7 1 1 A 36 36 PHE HA H 36 3.910 4.109 -0.199 1
1 275 . 7 1 1 A 36 36 PHE CA C 36 62.000 59.455 2.545 1
1 276 . 7 1 1 A 36 36 PHE CB C 36 39.200 39.473 -0.273 1
1 280 . 7 1 1 A 37 37 PHE H H 37 8.090 7.971 0.119 1
1 281 . 7 1 1 A 37 37 PHE HA H 37 3.980 4.484 -0.504 1
1 289 . 7 1 1 A 37 37 PHE CA C 37 61.600 58.868 2.732 1
1 290 . 7 1 1 A 37 37 PHE CB C 37 38.600 40.326 -1.726 1
1 294 . 7 1 1 A 37 37 PHE N N 37 116.200 116.028 0.172 1
1 295 . 7 1 1 A 38 38 GLU H H 38 9.000 9.249 -0.249 1
1 296 . 7 1 1 A 38 38 GLU HA H 38 4.130 4.038 0.092 1
1 301 . 7 1 1 A 38 38 GLU CA C 38 57.700 59.142 -1.442 1
1 302 . 7 1 1 A 38 38 GLU CB C 38 30.600 29.168 1.432 1
1 304 . 7 1 1 A 38 38 GLU N N 38 116.000 119.003 -3.003 1
1 305 . 7 1 1 A 39 39 THR H H 39 7.390 7.534 -0.144 1
1 306 . 7 1 1 A 39 39 THR HA H 39 4.280 4.329 -0.049 1
1 311 . 7 1 1 A 39 39 THR CA C 39 64.100 63.962 0.138 1
1 312 . 7 1 1 A 39 39 THR CB C 39 70.000 69.783 0.217 1
1 314 . 7 1 1 A 39 39 THR N N 39 110.400 113.543 -3.143 1
1 315 . 7 1 1 A 40 40 ILE H H 40 7.250 7.191 0.059 1
1 316 . 7 1 1 A 40 40 ILE HA H 40 2.570 3.944 -1.374 1
1 326 . 7 1 1 A 40 40 ILE CA C 40 65.800 60.207 5.593 1
1 327 . 7 1 1 A 40 40 ILE CB C 40 37.300 35.285 2.015 1
1 331 . 7 1 1 A 40 40 ILE N N 40 120.900 118.709 2.191 1
1 332 . 7 1 1 A 41 41 LYS H H 41 8.400 7.751 0.649 1
1 333 . 7 1 1 A 41 41 LYS HA H 41 3.650 4.404 -0.754 1
1 336 . 7 1 1 A 41 41 LYS CA C 41 59.000 57.254 1.746 1
1 337 . 7 1 1 A 41 41 LYS CB C 41 29.700 35.107 -5.407 1
1 338 . 7 1 1 A 41 41 LYS N N 41 118.800 122.165 -3.365 1
1 339 . 7 1 1 A 42 42 PRO HA H 42 4.280 4.229 0.051 1
1 346 . 7 1 1 A 42 42 PRO CA C 42 65.300 66.773 -1.473 1
1 347 . 7 1 1 A 42 42 PRO CB C 42 30.200 30.935 -0.735 1
1 350 . 7 1 1 A 43 43 ALA H H 43 6.790 8.117 -1.327 1
1 351 . 7 1 1 A 43 43 ALA HA H 43 4.190 4.106 0.084 1
1 355 . 7 1 1 A 43 43 ALA CA C 43 54.900 55.152 -0.252 1
1 356 . 7 1 1 A 43 43 ALA CB C 43 18.000 18.478 -0.478 1
1 357 . 7 1 1 A 43 43 ALA N N 43 119.500 119.030 0.470 1
1 358 . 7 1 1 A 44 44 VAL H H 44 8.380 7.875 0.505 1
1 359 . 7 1 1 A 44 44 VAL HA H 44 3.460 3.496 -0.036 1
1 367 . 7 1 1 A 44 44 VAL CA C 44 67.200 66.612 0.588 1
1 368 . 7 1 1 A 44 44 VAL CB C 44 31.500 31.598 -0.098 1
1 371 . 7 1 1 A 44 44 VAL N N 44 120.500 118.332 2.168 1
1 372 . 7 1 1 A 45 45 GLU H H 45 8.410 8.139 0.271 1
1 373 . 7 1 1 A 45 45 GLU HA H 45 4.060 3.934 0.126 1
1 378 . 7 1 1 A 45 45 GLU CA C 45 59.600 59.542 0.058 1
1 379 . 7 1 1 A 45 45 GLU CB C 45 29.300 29.147 0.153 1
1 381 . 7 1 1 A 45 45 GLU N N 45 118.400 118.976 -0.576 1
1 382 . 7 1 1 A 46 46 GLU H H 46 8.390 7.819 0.571 1
1 383 . 7 1 1 A 46 46 GLU HA H 46 4.200 4.089 0.111 1
1 388 . 7 1 1 A 46 46 GLU CA C 46 58.900 59.236 -0.336 1
1 389 . 7 1 1 A 46 46 GLU CB C 46 29.300 29.268 0.032 1
1 391 . 7 1 1 A 46 46 GLU N N 46 118.800 119.953 -1.153 1
1 392 . 7 1 1 A 47 47 ASN H H 47 7.700 8.692 -0.992 1
1 393 . 7 1 1 A 47 47 ASN HA H 47 4.900 4.658 0.242 1
1 398 . 7 1 1 A 47 47 ASN CA C 47 57.100 55.806 1.294 1
1 399 . 7 1 1 A 47 47 ASN CB C 47 39.000 37.964 1.036 1
1 400 . 7 1 1 A 47 47 ASN N N 47 118.000 118.224 -0.224 1
1 402 . 7 1 1 A 48 48 ASP H H 48 8.810 8.260 0.550 1
1 403 . 7 1 1 A 48 48 ASP HA H 48 4.520 4.384 0.136 1
1 406 . 7 1 1 A 48 48 ASP CA C 48 57.800 57.780 0.020 1
1 407 . 7 1 1 A 48 48 ASP CB C 48 41.700 41.264 0.436 1
1 408 . 7 1 1 A 48 48 ASP N N 48 124.000 119.335 4.665 1
1 409 . 7 1 1 A 49 49 GLU H H 49 7.310 7.777 -0.467 1
1 410 . 7 1 1 A 49 49 GLU HA H 49 4.070 4.114 -0.044 1
1 415 . 7 1 1 A 49 49 GLU CA C 49 59.500 59.219 0.281 1
1 416 . 7 1 1 A 49 49 GLU CB C 49 29.300 30.022 -0.722 1
1 418 . 7 1 1 A 49 49 GLU N N 49 117.600 118.246 -0.646 1
1 419 . 7 1 1 A 50 50 LEU H H 50 7.590 8.604 -1.014 1
1 420 . 7 1 1 A 50 50 LEU HA H 50 4.160 4.157 0.003 1
1 430 . 7 1 1 A 50 50 LEU CA C 50 58.000 58.241 -0.241 1
1 431 . 7 1 1 A 50 50 LEU CB C 50 41.800 41.740 0.060 1
1 435 . 7 1 1 A 50 50 LEU N N 50 119.500 121.863 -2.363 1
1 436 . 7 1 1 A 51 51 ALA H H 51 8.620 8.785 -0.165 1
1 437 . 7 1 1 A 51 51 ALA HA H 51 4.210 4.027 0.183 1
1 441 . 7 1 1 A 51 51 ALA CA C 51 54.900 55.236 -0.336 1
1 442 . 7 1 1 A 51 51 ALA CB C 51 18.600 18.260 0.340 1
1 443 . 7 1 1 A 51 51 ALA N N 51 118.900 120.672 -1.772 1
1 444 . 7 1 1 A 52 52 ALA H H 52 8.410 7.751 0.659 1
1 445 . 7 1 1 A 52 52 ALA HA H 52 4.210 4.105 0.105 1
1 449 . 7 1 1 A 52 52 ALA CA C 52 55.100 55.451 -0.351 1
1 450 . 7 1 1 A 52 52 ALA CB C 52 18.400 18.265 0.135 1
1 451 . 7 1 1 A 52 52 ALA N N 52 119.400 120.431 -1.031 1
1 452 . 7 1 1 A 53 53 ARG H H 53 8.070 8.135 -0.065 1
1 453 . 7 1 1 A 53 53 ARG HA H 53 4.130 4.106 0.024 1
1 460 . 7 1 1 A 53 53 ARG CA C 53 59.100 58.954 0.146 1
1 461 . 7 1 1 A 53 53 ARG CB C 53 30.900 29.608 1.292 1
1 464 . 7 1 1 A 53 53 ARG N N 53 119.500 117.353 2.147 1
1 465 . 7 1 1 A 54 54 TRP H H 54 9.270 8.563 0.707 1
1 466 . 7 1 1 A 54 54 TRP HA H 54 3.830 4.261 -0.431 1
1 475 . 7 1 1 A 54 54 TRP CA C 54 62.400 61.394 1.006 1
1 476 . 7 1 1 A 54 54 TRP CB C 54 29.200 29.253 -0.053 1
1 482 . 7 1 1 A 54 54 TRP N N 54 124.000 122.478 1.522 1
1 484 . 7 1 1 A 55 55 ALA H H 55 8.810 8.417 0.393 1
1 485 . 7 1 1 A 55 55 ALA HA H 55 3.220 3.786 -0.566 1
1 489 . 7 1 1 A 55 55 ALA CA C 55 55.100 55.301 -0.201 1
1 490 . 7 1 1 A 55 55 ALA CB C 55 17.500 18.037 -0.537 1
1 491 . 7 1 1 A 55 55 ALA N N 55 120.800 121.429 -0.629 1
1 492 . 7 1 1 A 56 56 GLU H H 56 7.460 7.883 -0.423 1
1 493 . 7 1 1 A 56 56 GLU HA H 56 3.880 3.889 -0.009 1
1 498 . 7 1 1 A 56 56 GLU CA C 56 59.200 59.118 0.082 1
1 499 . 7 1 1 A 56 56 GLU CB C 56 29.500 29.257 0.243 1
1 501 . 7 1 1 A 56 56 GLU N N 56 114.800 118.692 -3.892 1
1 502 . 7 1 1 A 57 57 GLY H H 57 7.650 8.526 -0.876 1
1 503 . 7 1 1 A 57 57 GLY HA2 H 57 3.490 3.760 -0.270 1
1 504 . 7 1 1 A 57 57 GLY HA3 H 57 3.850 3.799 0.051 1
1 505 . 7 1 1 A 57 57 GLY CA C 57 47.100 47.069 0.031 1
1 506 . 7 1 1 A 57 57 GLY N N 57 106.000 108.646 -2.646 1
1 507 . 7 1 1 A 58 58 ALA H H 58 8.950 7.886 1.064 1
1 508 . 7 1 1 A 58 58 ALA HA H 58 3.640 3.741 -0.101 1
1 512 . 7 1 1 A 58 58 ALA CA C 58 54.500 54.454 0.046 1
1 513 . 7 1 1 A 58 58 ALA CB C 58 16.700 18.547 -1.847 1
1 514 . 7 1 1 A 58 58 ALA N N 58 127.400 124.816 2.584 1
1 515 . 7 1 1 A 59 59 LEU H H 59 8.370 8.370 0.000 1
1 516 . 7 1 1 A 59 59 LEU HA H 59 3.920 3.797 0.123 1
1 526 . 7 1 1 A 59 59 LEU CA C 59 57.300 57.931 -0.631 1
1 527 . 7 1 1 A 59 59 LEU CB C 59 40.800 41.337 -0.537 1
1 531 . 7 1 1 A 59 59 LEU N N 59 116.800 119.136 -2.336 1
1 532 . 7 1 1 A 60 60 GLU H H 60 7.310 8.077 -0.767 1
1 533 . 7 1 1 A 60 60 GLU HA H 60 4.030 3.925 0.105 1
1 538 . 7 1 1 A 60 60 GLU CA C 60 58.800 59.418 -0.618 1
1 539 . 7 1 1 A 60 60 GLU CB C 60 28.900 29.456 -0.556 1
1 541 . 7 1 1 A 60 60 GLU N N 60 119.000 120.495 -1.495 1
1 542 . 7 1 1 A 61 61 LEU H H 61 7.700 7.745 -0.045 1
1 543 . 7 1 1 A 61 61 LEU HA H 61 4.000 4.010 -0.010 1
1 553 . 7 1 1 A 61 61 LEU CA C 61 58.100 57.909 0.191 1
1 554 . 7 1 1 A 61 61 LEU CB C 61 41.400 41.583 -0.183 1
1 558 . 7 1 1 A 61 61 LEU N N 61 120.800 120.425 0.375 1
1 559 . 7 1 1 A 62 62 ILE H H 62 7.510 7.477 0.033 1
1 560 . 7 1 1 A 62 62 ILE HA H 62 4.040 3.767 0.273 1
1 570 . 7 1 1 A 62 62 ILE CA C 62 63.200 64.096 -0.896 1
1 571 . 7 1 1 A 62 62 ILE CB C 62 37.200 37.300 -0.100 1
1 575 . 7 1 1 A 62 62 ILE N N 62 110.700 115.110 -4.410 1
1 576 . 7 1 1 A 63 63 LYS H H 63 7.520 7.990 -0.470 1
1 577 . 7 1 1 A 63 63 LYS HA H 63 4.070 4.101 -0.031 1
1 586 . 7 1 1 A 63 63 LYS CA C 63 58.600 58.738 -0.138 1
1 587 . 7 1 1 A 63 63 LYS CB C 63 32.800 32.167 0.633 1
1 590 . 7 1 1 A 63 63 LYS N N 63 121.100 122.451 -1.351 1
1 591 . 7 1 1 A 64 64 VAL H H 64 7.630 7.687 -0.057 1
1 592 . 7 1 1 A 64 64 VAL HA H 64 3.950 3.681 0.269 1
1 600 . 7 1 1 A 64 64 VAL CA C 64 63.900 66.082 -2.182 1
1 601 . 7 1 1 A 64 64 VAL CB C 64 32.400 32.069 0.331 1
1 604 . 7 1 1 A 64 64 VAL N N 64 115.200 120.434 -5.234 1
1 605 . 7 1 1 A 65 65 ARG H H 65 7.980 8.072 -0.092 1
1 606 . 7 1 1 A 65 65 ARG HA H 65 4.390 4.484 -0.094 1
1 613 . 7 1 1 A 65 65 ARG CA C 65 55.200 56.728 -1.528 1
1 614 . 7 1 1 A 65 65 ARG CB C 65 31.500 31.388 0.112 1
1 617 . 7 1 1 A 65 65 ARG N N 65 118.300 119.909 -1.609 1
1 618 . 7 1 1 A 66 66 ARG HA H 66 4.340 4.613 -0.273 1
1 621 . 7 1 1 A 66 66 ARG CA C 66 54.900 54.359 0.541 1
1 622 . 7 1 1 A 66 66 ARG CB C 66 29.200 33.284 -4.084 1
1 629 . 7 1 1 A 68 68 LYS HA H 68 4.100 4.363 -0.263 1
1 638 . 7 1 1 A 68 68 LYS CA C 68 57.900 57.776 0.124 1
1 639 . 7 1 1 A 68 68 LYS CB C 68 34.100 33.894 0.206 1
1 643 . 7 1 1 A 69 69 TYR HA H 69 4.760 4.603 0.157 1
1 650 . 7 1 1 A 69 69 TYR CA C 69 57.800 59.631 -1.831 1
1 651 . 7 1 1 A 69 69 TYR CB C 69 39.600 40.038 -0.438 1
1 654 . 7 1 1 A 70 70 VAL H H 70 6.950 7.961 -1.011 1
1 655 . 7 1 1 A 70 70 VAL HA H 70 4.720 4.228 0.492 1
1 663 . 7 1 1 A 70 70 VAL CA C 70 60.000 62.440 -2.440 1
1 664 . 7 1 1 A 70 70 VAL CB C 70 34.500 32.555 1.945 1
1 667 . 7 1 1 A 70 70 VAL N N 70 115.400 119.287 -3.887 1
1 668 . 7 1 1 A 71 71 HIS H H 71 7.870 8.612 -0.742 1
1 669 . 7 1 1 A 71 71 HIS HA H 71 4.910 5.194 -0.284 1
1 673 . 7 1 1 A 71 71 HIS CA C 71 54.100 55.143 -1.043 1
1 674 . 7 1 1 A 71 71 HIS CB C 71 33.700 33.319 0.381 1
1 676 . 7 1 1 A 71 71 HIS N N 71 120.600 125.726 -5.126 1
1 677 . 7 1 1 A 72 72 LYS H H 72 8.400 8.428 -0.028 1
1 678 . 7 1 1 A 72 72 LYS HA H 72 3.680 3.853 -0.173 1
1 687 . 7 1 1 A 72 72 LYS CA C 72 60.600 59.198 1.402 1
1 688 . 7 1 1 A 72 72 LYS CB C 72 32.800 31.800 1.000 1
1 692 . 7 1 1 A 73 73 GLU H H 73 9.680 8.388 1.292 1
1 693 . 7 1 1 A 73 73 GLU HA H 73 4.170 4.020 0.150 1
1 698 . 7 1 1 A 73 73 GLU CA C 73 60.000 59.928 0.072 1
1 699 . 7 1 1 A 73 73 GLU CB C 73 28.300 29.207 -0.907 1
1 701 . 7 1 1 A 73 73 GLU N N 73 117.300 119.533 -2.233 1
1 702 . 7 1 1 A 74 74 GLN H H 74 7.360 7.665 -0.305 1
1 703 . 7 1 1 A 74 74 GLN HA H 74 4.180 4.128 0.052 1
1 710 . 7 1 1 A 74 74 GLN CA C 74 58.300 58.801 -0.501 1
1 711 . 7 1 1 A 74 74 GLN CB C 74 28.300 28.497 -0.197 1
1 713 . 7 1 1 A 74 74 GLN N N 74 117.700 118.354 -0.654 1
1 715 . 7 1 1 A 75 75 ILE H H 75 7.530 8.009 -0.479 1
1 716 . 7 1 1 A 75 75 ILE HA H 75 3.780 3.832 -0.052 1
1 726 . 7 1 1 A 75 75 ILE CA C 75 64.100 65.692 -1.592 1
1 727 . 7 1 1 A 75 75 ILE CB C 75 36.800 37.695 -0.895 1
1 731 . 7 1 1 A 75 75 ILE N N 75 120.600 121.435 -0.835 1
1 732 . 7 1 1 A 76 76 GLU H H 76 8.340 8.108 0.232 1
1 733 . 7 1 1 A 76 76 GLU HA H 76 3.970 4.075 -0.105 1
1 738 . 7 1 1 A 76 76 GLU CA C 76 59.200 59.510 -0.310 1
1 739 . 7 1 1 A 76 76 GLU CB C 76 29.700 29.361 0.339 1
1 741 . 7 1 1 A 76 76 GLU N N 76 117.500 120.993 -3.493 1
1 742 . 7 1 1 A 77 77 ALA H H 77 7.390 7.865 -0.475 1
1 743 . 7 1 1 A 77 77 ALA HA H 77 4.370 4.109 0.261 1
1 747 . 7 1 1 A 77 77 ALA CA C 77 53.400 55.089 -1.689 1
1 748 . 7 1 1 A 77 77 ALA CB C 77 18.800 18.304 0.496 1
1 749 . 7 1 1 A 77 77 ALA N N 77 118.600 122.572 -3.972 1
1 750 . 7 1 1 A 78 78 VAL H H 78 7.620 8.592 -0.972 1
1 751 . 7 1 1 A 78 78 VAL HA H 78 3.720 3.461 0.259 1
1 759 . 7 1 1 A 78 78 VAL CA C 78 66.700 67.088 -0.388 1
1 760 . 7 1 1 A 78 78 VAL CB C 78 31.500 31.502 -0.002 1
1 763 . 7 1 1 A 78 78 VAL N N 78 116.800 118.747 -1.947 1
1 764 . 7 1 1 A 79 79 LYS H H 79 8.570 7.955 0.615 1
1 765 . 7 1 1 A 79 79 LYS HA H 79 3.780 4.041 -0.261 1
1 774 . 7 1 1 A 79 79 LYS CA C 79 61.800 59.939 1.861 1
1 775 . 7 1 1 A 79 79 LYS CB C 79 31.500 32.398 -0.898 1
1 779 . 7 1 1 A 79 79 LYS N N 79 119.500 120.320 -0.820 1
1 780 . 7 1 1 A 80 80 ASP H H 80 8.350 8.169 0.181 1
1 781 . 7 1 1 A 80 80 ASP HA H 80 4.490 4.420 0.070 1
1 784 . 7 1 1 A 80 80 ASP CA C 80 57.300 57.427 -0.127 1
1 785 . 7 1 1 A 80 80 ASP CB C 80 40.000 41.192 -1.192 1
1 786 . 7 1 1 A 80 80 ASP N N 80 115.500 119.810 -4.310 1
1 787 . 7 1 1 A 81 81 ASN H H 81 7.690 8.438 -0.748 1
1 788 . 7 1 1 A 81 81 ASN HA H 81 4.540 4.438 0.102 1
1 793 . 7 1 1 A 81 81 ASN CA C 81 55.500 56.419 -0.919 1
1 794 . 7 1 1 A 81 81 ASN CB C 81 38.600 37.770 0.830 1
1 795 . 7 1 1 A 81 81 ASN N N 81 118.300 117.295 1.005 1
1 797 . 7 1 1 A 82 82 PHE H H 82 9.620 8.617 1.003 1
1 798 . 7 1 1 A 82 82 PHE HA H 82 4.060 4.149 -0.089 1
1 806 . 7 1 1 A 82 82 PHE CA C 82 60.900 61.360 -0.460 1
1 807 . 7 1 1 A 82 82 PHE CB C 82 39.500 39.353 0.147 1
1 811 . 7 1 1 A 82 82 PHE N N 82 121.400 122.986 -1.586 1
1 812 . 7 1 1 A 83 83 LEU H H 83 8.210 8.326 -0.116 1
1 813 . 7 1 1 A 83 83 LEU HA H 83 3.900 3.750 0.150 1
1 823 . 7 1 1 A 83 83 LEU CA C 83 57.000 57.879 -0.879 1
1 824 . 7 1 1 A 83 83 LEU CB C 83 40.400 41.336 -0.936 1
1 828 . 7 1 1 A 83 83 LEU N N 83 117.400 119.367 -1.967 1
1 829 . 7 1 1 A 84 84 GLU H H 84 7.660 8.303 -0.643 1
1 830 . 7 1 1 A 84 84 GLU HA H 84 4.150 4.015 0.135 1
1 835 . 7 1 1 A 84 84 GLU CA C 84 59.500 59.221 0.279 1
1 836 . 7 1 1 A 84 84 GLU CB C 84 28.700 29.310 -0.610 1
1 838 . 7 1 1 A 84 84 GLU N N 84 121.500 119.618 1.882 1
1 839 . 7 1 1 A 85 85 LEU H H 85 8.100 8.108 -0.008 1
1 840 . 7 1 1 A 85 85 LEU HA H 85 3.600 4.002 -0.402 1
1 850 . 7 1 1 A 85 85 LEU CA C 85 59.300 58.336 0.964 1
1 851 . 7 1 1 A 85 85 LEU CB C 85 41.800 41.668 0.132 1
1 855 . 7 1 1 A 85 85 LEU N N 85 121.700 121.110 0.590 1
1 856 . 7 1 1 A 86 86 VAL H H 86 8.220 8.006 0.214 1
1 857 . 7 1 1 A 86 86 VAL HA H 86 3.100 3.301 -0.201 1
1 865 . 7 1 1 A 86 86 VAL CA C 86 67.200 66.779 0.421 1
1 866 . 7 1 1 A 86 86 VAL CB C 86 31.500 30.991 0.509 1
1 869 . 7 1 1 A 86 86 VAL N N 86 118.400 119.100 -0.700 1
1 870 . 7 1 1 A 87 87 LEU H H 87 8.450 7.936 0.514 1
1 871 . 7 1 1 A 87 87 LEU HA H 87 3.960 4.015 -0.055 1
1 881 . 7 1 1 A 87 87 LEU CA C 87 59.100 58.532 0.568 1
1 882 . 7 1 1 A 87 87 LEU CB C 87 42.300 41.845 0.455 1
1 886 . 7 1 1 A 87 87 LEU N N 87 120.200 120.134 0.066 1
1 887 . 7 1 1 A 88 88 GLN H H 88 9.350 8.187 1.163 1
1 888 . 7 1 1 A 88 88 GLN HA H 88 4.180 4.204 -0.024 1
1 895 . 7 1 1 A 88 88 GLN CA C 88 57.300 57.498 -0.198 1
1 896 . 7 1 1 A 88 88 GLN CB C 88 25.400 27.960 -2.560 1
1 898 . 7 1 1 A 88 88 GLN N N 88 114.900 117.226 -2.326 1
1 900 . 7 1 1 A 89 89 SER H H 89 8.680 7.741 0.939 1
1 901 . 7 1 1 A 89 89 SER HA H 89 4.080 3.999 0.081 1
1 904 . 7 1 1 A 89 89 SER CA C 89 61.900 61.798 0.102 1
1 905 . 7 1 1 A 89 89 SER CB C 89 62.200 62.963 -0.763 1
1 906 . 7 1 1 A 89 89 SER N N 89 117.500 117.523 -0.023 1
1 907 . 7 1 1 A 90 90 TYR H H 90 7.330 7.041 0.289 1
1 908 . 7 1 1 A 90 90 TYR HA H 90 4.320 3.918 0.402 1
1 915 . 7 1 1 A 90 90 TYR CA C 90 59.700 60.412 -0.712 1
1 916 . 7 1 1 A 90 90 TYR CB C 90 41.400 38.417 2.983 1
1 919 . 7 1 1 A 90 90 TYR N N 90 116.000 119.739 -3.739 1
1 920 . 7 1 1 A 91 91 VAL H H 91 7.730 7.687 0.043 1
1 921 . 7 1 1 A 91 91 VAL HA H 91 4.010 3.899 0.111 1
1 929 . 7 1 1 A 91 91 VAL CA C 91 62.600 64.058 -1.458 1
1 930 . 7 1 1 A 91 91 VAL CB C 91 32.700 32.345 0.355 1
1 933 . 7 1 1 A 91 91 VAL N N 91 110.500 115.153 -4.653 1
1 934 . 7 1 1 A 92 92 HIS H H 92 8.600 8.016 0.584 1
1 935 . 7 1 1 A 92 92 HIS HA H 92 4.280 4.338 -0.058 1
1 939 . 7 1 1 A 92 92 HIS CA C 92 56.000 57.179 -1.179 1
1 940 . 7 1 1 A 92 92 HIS CB C 92 29.200 26.626 2.574 1
1 942 . 7 1 1 A 92 92 HIS N N 92 114.500 115.963 -1.463 1
1 943 . 7 1 1 A 93 93 HIS H H 93 8.350 7.875 0.475 1
1 944 . 7 1 1 A 93 93 HIS HA H 93 4.780 4.565 0.215 1
1 948 . 7 1 1 A 93 93 HIS CA C 93 57.600 54.236 3.364 1
1 949 . 7 1 1 A 93 93 HIS CB C 93 31.900 28.338 3.562 1
1 951 . 7 1 1 A 93 93 HIS N N 93 118.200 118.055 0.145 1
1 952 . 7 1 1 A 94 94 ILE H H 94 7.470 7.743 -0.273 1
1 953 . 7 1 1 A 94 94 ILE HA H 94 4.370 4.555 -0.185 1
1 963 . 7 1 1 A 94 94 ILE CA C 94 60.900 59.745 1.155 1
1 964 . 7 1 1 A 94 94 ILE CB C 94 39.600 41.125 -1.525 1
1 968 . 7 1 1 A 94 94 ILE N N 94 111.400 123.560 -12.160 1
1 969 . 7 1 1 A 95 95 HIS H H 95 6.990 8.941 -1.951 1
1 970 . 7 1 1 A 96 96 LYS HA H 96 4.040 3.969 0.071 1
1 977 . 7 1 1 A 97 97 LYS HA H 97 4.130 4.121 0.009 1
1 986 . 7 1 1 A 97 97 LYS CA C 97 59.400 59.323 0.077 1
1 987 . 7 1 1 A 97 97 LYS CB C 97 32.000 32.382 -0.382 1
1 991 . 7 1 1 A 98 98 ARG H H 98 7.150 7.937 -0.787 1
1 992 . 7 1 1 A 98 98 ARG HA H 98 4.150 4.082 0.068 1
1 999 . 7 1 1 A 98 98 ARG CA C 98 57.900 59.092 -1.192 1
1 1000 . 7 1 1 A 98 98 ARG CB C 98 28.600 29.774 -1.174 1
1 1003 . 7 1 1 A 98 98 ARG N N 98 118.500 119.724 -1.224 1
1 1004 . 7 1 1 A 99 99 PHE H H 99 8.260 8.065 0.195 1
1 1005 . 7 1 1 A 99 99 PHE HA H 99 3.450 4.056 -0.606 1
1 1013 . 7 1 1 A 99 99 PHE CA C 99 62.700 61.385 1.315 1
1 1014 . 7 1 1 A 99 99 PHE CB C 99 39.200 39.188 0.012 1
1 1018 . 7 1 1 A 99 99 PHE N N 99 119.100 120.875 -1.775 1
1 1019 . 7 1 1 A 100 100 LYS H H 100 8.500 8.007 0.493 1
1 1020 . 7 1 1 A 100 100 LYS HA H 100 3.980 3.854 0.126 1
1 1029 . 7 1 1 A 100 100 LYS CA C 100 59.300 59.106 0.194 1
1 1030 . 7 1 1 A 100 100 LYS CB C 100 31.900 31.978 -0.078 1
1 1034 . 7 1 1 A 100 100 LYS N N 100 121.700 118.182 3.518 1
1 1035 . 7 1 1 A 101 101 ASP H H 101 8.150 7.940 0.210 1
1 1036 . 7 1 1 A 101 101 ASP HA H 101 4.290 4.272 0.018 1
1 1039 . 7 1 1 A 101 101 ASP CA C 101 57.300 57.844 -0.544 1
1 1040 . 7 1 1 A 101 101 ASP CB C 101 39.900 41.649 -1.749 1
1 1041 . 7 1 1 A 101 101 ASP N N 101 119.800 119.464 0.336 1
1 1042 . 7 1 1 A 102 102 ILE H H 102 8.220 7.991 0.229 1
1 1043 . 7 1 1 A 102 102 ILE HA H 102 3.690 3.542 0.148 1
1 1053 . 7 1 1 A 102 102 ILE CA C 102 65.000 64.922 0.078 1
1 1054 . 7 1 1 A 102 102 ILE CB C 102 37.700 37.455 0.245 1
1 1058 . 7 1 1 A 102 102 ILE N N 102 118.800 118.581 0.219 1
1 1059 . 7 1 1 A 103 103 THR H H 103 7.930 8.032 -0.102 1
1 1060 . 7 1 1 A 103 103 THR HA H 103 3.480 3.694 -0.214 1
1 1066 . 7 1 1 A 103 103 THR CA C 103 67.300 66.760 0.540 1
1 1067 . 7 1 1 A 103 103 THR CB C 103 67.700 68.095 -0.395 1
1 1069 . 7 1 1 A 103 103 THR N N 103 117.900 116.376 1.524 1
1 1070 . 7 1 1 A 104 104 GLU H H 104 8.470 8.555 -0.085 1
1 1071 . 7 1 1 A 104 104 GLU HA H 104 3.920 3.987 -0.067 1
1 1076 . 7 1 1 A 104 104 GLU CA C 104 59.500 59.282 0.218 1
1 1077 . 7 1 1 A 104 104 GLU CB C 104 29.200 29.342 -0.142 1
1 1079 . 7 1 1 A 104 104 GLU N N 104 118.900 121.976 -3.076 1
1 1080 . 7 1 1 A 105 105 SER H H 105 7.840 8.088 -0.248 1
1 1081 . 7 1 1 A 105 105 SER HA H 105 4.290 4.103 0.187 1
1 1084 . 7 1 1 A 105 105 SER CA C 105 60.900 62.681 -1.781 1
1 1085 . 7 1 1 A 105 105 SER CB C 105 62.700 62.997 -0.297 1
1 1086 . 7 1 1 A 105 105 SER N N 105 114.200 117.176 -2.976 1
1 1087 . 7 1 1 A 106 106 VAL H H 106 8.290 8.077 0.213 1
1 1088 . 7 1 1 A 106 106 VAL HA H 106 3.690 3.615 0.075 1
1 1096 . 7 1 1 A 106 106 VAL CA C 106 66.300 66.800 -0.500 1
1 1097 . 7 1 1 A 106 106 VAL CB C 106 31.900 31.810 0.090 1
1 1100 . 7 1 1 A 106 106 VAL N N 106 122.100 121.902 0.198 1
1 1101 . 7 1 1 A 107 107 LEU H H 107 8.560 8.705 -0.145 1
1 1102 . 7 1 1 A 107 107 LEU HA H 107 3.900 3.894 0.006 1
1 1112 . 7 1 1 A 107 107 LEU CA C 107 58.300 58.094 0.206 1
1 1113 . 7 1 1 A 107 107 LEU CB C 107 41.200 41.719 -0.519 1
1 1117 . 7 1 1 A 107 107 LEU N N 107 117.500 118.233 -0.733 1
1 1118 . 7 1 1 A 108 108 TYR H H 108 8.450 8.611 -0.161 1
1 1119 . 7 1 1 A 108 108 TYR HA H 108 4.170 3.955 0.215 1
1 1126 . 7 1 1 A 108 108 TYR CA C 108 61.800 62.193 -0.393 1
1 1127 . 7 1 1 A 108 108 TYR CB C 108 37.900 38.325 -0.425 1
1 1130 . 7 1 1 A 108 108 TYR N N 108 119.000 119.693 -0.693 1
1 1131 . 7 1 1 A 109 109 THR H H 109 7.800 7.852 -0.052 1
1 1132 . 7 1 1 A 109 109 THR HA H 109 3.860 4.169 -0.309 1
1 1137 . 7 1 1 A 109 109 THR CA C 109 66.800 67.437 -0.637 1
1 1138 . 7 1 1 A 109 109 THR CB C 109 67.800 67.943 -0.143 1
1 1140 . 7 1 1 A 109 109 THR N N 109 116.500 115.106 1.394 1
1 1141 . 7 1 1 A 110 110 LEU H H 110 8.510 8.384 0.126 1
1 1142 . 7 1 1 A 110 110 LEU HA H 110 3.900 4.093 -0.193 1
1 1152 . 7 1 1 A 110 110 LEU CA C 110 58.500 57.979 0.521 1
1 1153 . 7 1 1 A 110 110 LEU CB C 110 41.300 41.722 -0.422 1
1 1157 . 7 1 1 A 110 110 LEU N N 110 121.000 120.905 0.095 1
1 1158 . 7 1 1 A 111 111 HIS H H 111 8.440 8.740 -0.300 1
1 1159 . 7 1 1 A 111 111 HIS HA H 111 4.000 4.192 -0.192 1
1 1163 . 7 1 1 A 111 111 HIS CA C 111 60.900 60.172 0.728 1
1 1164 . 7 1 1 A 111 111 HIS CB C 111 29.700 29.237 0.463 1
1 1166 . 7 1 1 A 111 111 HIS N N 111 116.300 117.646 -1.346 1
1 1167 . 7 1 1 A 112 112 ALA H H 112 7.920 8.035 -0.115 1
1 1168 . 7 1 1 A 112 112 ALA HA H 112 4.130 3.589 0.541 1
1 1172 . 7 1 1 A 112 112 ALA CA C 112 55.000 55.055 -0.055 1
1 1173 . 7 1 1 A 112 112 ALA CB C 112 17.600 18.411 -0.811 1
1 1174 . 7 1 1 A 112 112 ALA N N 112 122.900 121.908 0.992 1
1 1175 . 7 1 1 A 113 113 VAL H H 113 8.300 7.857 0.443 1
1 1176 . 7 1 1 A 113 113 VAL HA H 113 3.540 3.422 0.118 1
1 1184 . 7 1 1 A 113 113 VAL CA C 113 67.200 66.995 0.205 1
1 1185 . 7 1 1 A 113 113 VAL CB C 113 31.000 31.655 -0.655 1
1 1188 . 7 1 1 A 113 113 VAL N N 113 119.000 118.429 0.571 1
1 1189 . 7 1 1 A 114 114 LYS H H 114 8.220 8.276 -0.056 1
1 1190 . 7 1 1 A 114 114 LYS HA H 114 3.810 3.910 -0.100 1
1 1199 . 7 1 1 A 114 114 LYS CA C 114 60.800 59.457 1.343 1
1 1200 . 7 1 1 A 114 114 LYS CB C 114 31.500 32.226 -0.726 1
1 1204 . 7 1 1 A 114 114 LYS N N 114 120.600 120.115 0.485 1
1 1205 . 7 1 1 A 115 115 ASP H H 115 8.180 7.864 0.316 1
1 1206 . 7 1 1 A 115 115 ASP HA H 115 4.300 4.187 0.113 1
1 1209 . 7 1 1 A 115 115 ASP CA C 115 56.800 57.288 -0.488 1
1 1210 . 7 1 1 A 115 115 ASP CB C 115 39.600 40.817 -1.217 1
1 1211 . 7 1 1 A 115 115 ASP N N 115 118.800 118.659 0.141 1
1 1212 . 7 1 1 A 116 116 GLU H H 116 7.990 7.715 0.275 1
1 1213 . 7 1 1 A 116 116 GLU HA H 116 4.060 4.077 -0.017 1
1 1218 . 7 1 1 A 116 116 GLU CA C 116 58.400 59.378 -0.978 1
1 1219 . 7 1 1 A 116 116 GLU CB C 116 29.000 29.631 -0.631 1
1 1221 . 7 1 1 A 116 116 GLU N N 116 120.800 117.999 2.801 1
1 1222 . 7 1 1 A 117 117 ILE H H 117 8.370 7.971 0.399 1
1 1223 . 7 1 1 A 117 117 ILE HA H 117 3.610 3.620 -0.010 1
1 1233 . 7 1 1 A 117 117 ILE CA C 117 64.800 65.639 -0.839 1
1 1234 . 7 1 1 A 117 117 ILE CB C 117 38.600 38.473 0.127 1
1 1238 . 7 1 1 A 117 117 ILE N N 117 119.700 120.882 -1.182 1
1 1239 . 7 1 1 A 118 118 ALA H H 118 7.720 7.939 -0.219 1
1 1240 . 7 1 1 A 118 118 ALA HA H 118 4.250 4.043 0.207 1
1 1244 . 7 1 1 A 118 118 ALA CA C 118 52.900 54.989 -2.089 1
1 1245 . 7 1 1 A 118 118 ALA CB C 118 18.700 17.916 0.784 1
1 1246 . 7 1 1 A 118 118 ALA N N 118 119.900 121.716 -1.816 1
1 1247 . 7 1 1 A 119 119 ARG H H 119 7.450 8.120 -0.670 1
1 1248 . 7 1 1 A 119 119 ARG HA H 119 4.110 4.075 0.035 1
1 1255 . 7 1 1 A 119 119 ARG CA C 119 57.600 58.935 -1.335 1
1 1256 . 7 1 1 A 119 119 ARG CB C 119 31.000 29.727 1.273 1
1 1259 . 7 1 1 A 119 119 ARG N N 119 118.400 118.435 -0.035 1
1 1260 . 7 1 1 A 120 120 GLU H H 120 8.890 7.516 1.374 1
1 1261 . 7 1 1 A 120 120 GLU HA H 120 4.280 4.236 0.044 1
1 1266 . 7 1 1 A 120 120 GLU CA C 120 57.600 59.005 -1.405 1
1 1267 . 7 1 1 A 120 120 GLU CB C 120 30.100 29.862 0.238 1
1 1269 . 7 1 1 A 120 120 GLU N N 120 114.900 117.580 -2.680 1
1 1 . 8 1 1 A 6 6 LEU HA H 6 4.230 4.259 -0.029 1
1 11 . 8 1 1 A 6 6 LEU CA C 6 58.000 57.153 0.847 1
1 12 . 8 1 1 A 6 6 LEU CB C 6 40.900 42.538 -1.638 1
1 16 . 8 1 1 A 7 7 LEU H H 7 8.970 7.946 1.024 1
1 17 . 8 1 1 A 7 7 LEU HA H 7 3.970 3.940 0.030 1
1 27 . 8 1 1 A 7 7 LEU CA C 7 58.500 58.078 0.422 1
1 28 . 8 1 1 A 7 7 LEU CB C 7 41.000 41.214 -0.214 1
1 32 . 8 1 1 A 7 7 LEU N N 7 124.300 118.957 5.343 1
1 33 . 8 1 1 A 8 8 GLU H H 8 7.910 8.361 -0.451 1
1 34 . 8 1 1 A 8 8 GLU HA H 8 4.040 3.966 0.074 1
1 39 . 8 1 1 A 8 8 GLU CA C 8 59.500 59.865 -0.365 1
1 40 . 8 1 1 A 8 8 GLU CB C 8 29.200 29.223 -0.023 1
1 42 . 8 1 1 A 8 8 GLU N N 8 119.000 118.818 0.182 1
1 43 . 8 1 1 A 9 9 MET H H 9 8.520 8.163 0.357 1
1 44 . 8 1 1 A 9 9 MET HA H 9 4.030 4.215 -0.185 1
1 52 . 8 1 1 A 9 9 MET CA C 9 59.900 58.105 1.795 1
1 53 . 8 1 1 A 9 9 MET CB C 9 36.000 33.439 2.561 1
1 56 . 8 1 1 A 9 9 MET N N 9 117.500 118.636 -1.136 1
1 57 . 8 1 1 A 10 10 THR H H 10 8.470 7.418 1.052 1
1 58 . 8 1 1 A 10 10 THR HA H 10 3.550 3.602 -0.052 1
1 64 . 8 1 1 A 10 10 THR CA C 10 67.200 68.637 -1.437 1
1 65 . 8 1 1 A 10 10 THR CB C 10 68.500 67.650 0.850 1
1 67 . 8 1 1 A 10 10 THR N N 10 116.600 115.415 1.185 1
1 68 . 8 1 1 A 11 11 GLU H H 11 8.500 9.058 -0.558 1
1 69 . 8 1 1 A 11 11 GLU HA H 11 3.910 3.895 0.015 1
1 74 . 8 1 1 A 11 11 GLU CA C 11 59.400 60.005 -0.605 1
1 75 . 8 1 1 A 11 11 GLU CB C 11 29.200 29.285 -0.085 1
1 77 . 8 1 1 A 11 11 GLU N N 11 119.400 119.899 -0.499 1
1 78 . 8 1 1 A 12 12 GLN H H 12 8.140 8.080 0.060 1
1 79 . 8 1 1 A 12 12 GLN HA H 12 4.100 4.071 0.029 1
1 86 . 8 1 1 A 12 12 GLN CA C 12 59.000 58.773 0.227 1
1 87 . 8 1 1 A 12 12 GLN CB C 12 27.800 28.545 -0.745 1
1 89 . 8 1 1 A 12 12 GLN N N 12 120.400 119.757 0.643 1
1 91 . 8 1 1 A 13 13 MET H H 13 8.120 8.036 0.084 1
1 92 . 8 1 1 A 13 13 MET HA H 13 3.710 4.145 -0.435 1
1 100 . 8 1 1 A 13 13 MET CA C 13 59.600 58.767 0.833 1
1 101 . 8 1 1 A 13 13 MET CB C 13 33.300 32.514 0.786 1
1 104 . 8 1 1 A 13 13 MET N N 13 118.500 117.806 0.694 1
1 105 . 8 1 1 A 14 14 ILE H H 14 8.040 8.287 -0.247 1
1 106 . 8 1 1 A 14 14 ILE HA H 14 3.270 3.601 -0.331 1
1 116 . 8 1 1 A 14 14 ILE CA C 14 65.700 65.084 0.616 1
1 117 . 8 1 1 A 14 14 ILE CB C 14 38.000 37.944 0.056 1
1 121 . 8 1 1 A 14 14 ILE N N 14 119.400 119.498 -0.098 1
1 122 . 8 1 1 A 15 15 GLU H H 15 7.700 8.214 -0.514 1
1 123 . 8 1 1 A 15 15 GLU HA H 15 4.110 3.972 0.138 1
1 128 . 8 1 1 A 15 15 GLU CA C 15 59.300 59.404 -0.104 1
1 129 . 8 1 1 A 15 15 GLU CB C 15 29.200 29.761 -0.561 1
1 131 . 8 1 1 A 15 15 GLU N N 15 119.000 121.115 -2.115 1
1 132 . 8 1 1 A 16 16 VAL H H 16 8.410 8.420 -0.010 1
1 133 . 8 1 1 A 16 16 VAL HA H 16 3.530 3.621 -0.091 1
1 141 . 8 1 1 A 16 16 VAL CA C 16 66.600 66.377 0.223 1
1 142 . 8 1 1 A 16 16 VAL CB C 16 31.900 31.799 0.101 1
1 145 . 8 1 1 A 16 16 VAL N N 16 119.500 119.940 -0.440 1
1 146 . 8 1 1 A 17 17 ALA H H 17 8.600 8.514 0.086 1
1 147 . 8 1 1 A 17 17 ALA HA H 17 4.080 3.919 0.161 1
1 151 . 8 1 1 A 17 17 ALA CA C 17 54.700 55.988 -1.288 1
1 152 . 8 1 1 A 17 17 ALA CB C 17 17.700 18.696 -0.996 1
1 153 . 8 1 1 A 17 17 ALA N N 17 123.100 122.063 1.037 1
1 154 . 8 1 1 A 18 18 GLU H H 18 8.850 8.427 0.423 1
1 155 . 8 1 1 A 18 18 GLU HA H 18 3.990 3.962 0.028 1
1 160 . 8 1 1 A 18 18 GLU CA C 18 59.500 59.730 -0.230 1
1 161 . 8 1 1 A 18 18 GLU CB C 18 29.700 29.298 0.402 1
1 163 . 8 1 1 A 18 18 GLU N N 18 117.900 117.932 -0.032 1
1 164 . 8 1 1 A 19 19 LYS H H 19 8.750 8.279 0.471 1
1 165 . 8 1 1 A 19 19 LYS HA H 19 4.150 4.071 0.079 1
1 174 . 8 1 1 A 19 19 LYS CA C 19 58.700 59.184 -0.484 1
1 175 . 8 1 1 A 19 19 LYS CB C 19 31.900 32.293 -0.393 1
1 179 . 8 1 1 A 19 19 LYS N N 19 119.200 119.491 -0.291 1
1 180 . 8 1 1 A 20 20 GLY H H 20 8.640 8.563 0.077 1
1 181 . 8 1 1 A 20 20 GLY HA2 H 20 3.790 3.838 -0.048 1
1 182 . 8 1 1 A 20 20 GLY HA3 H 20 3.500 3.846 -0.346 1
1 183 . 8 1 1 A 20 20 GLY CA C 20 46.400 47.156 -0.756 1
1 184 . 8 1 1 A 20 20 GLY N N 20 110.300 107.805 2.495 1
1 185 . 8 1 1 A 21 21 ALA H H 21 8.550 7.869 0.681 1
1 186 . 8 1 1 A 21 21 ALA HA H 21 4.490 4.194 0.296 1
1 190 . 8 1 1 A 21 21 ALA CA C 21 55.100 54.678 0.422 1
1 191 . 8 1 1 A 21 21 ALA CB C 21 17.300 18.589 -1.289 1
1 192 . 8 1 1 A 21 21 ALA N N 21 125.300 125.001 0.299 1
1 193 . 8 1 1 A 22 22 ASP H H 22 7.660 8.562 -0.902 1
1 194 . 8 1 1 A 22 22 ASP HA H 22 4.460 4.380 0.080 1
1 197 . 8 1 1 A 22 22 ASP CA C 22 56.900 57.867 -0.967 1
1 198 . 8 1 1 A 22 22 ASP CB C 22 40.500 42.060 -1.560 1
1 199 . 8 1 1 A 22 22 ASP N N 22 119.000 118.524 0.476 1
1 200 . 8 1 1 A 23 23 ARG H H 23 8.110 8.393 -0.283 1
1 201 . 8 1 1 A 23 23 ARG HA H 23 4.000 4.041 -0.041 1
1 208 . 8 1 1 A 23 23 ARG CA C 23 59.200 59.011 0.189 1
1 209 . 8 1 1 A 23 23 ARG CB C 23 30.700 29.688 1.012 1
1 212 . 8 1 1 A 23 23 ARG N N 23 121.800 120.093 1.707 1
1 213 . 8 1 1 A 24 24 TYR H H 24 8.460 8.331 0.129 1
1 214 . 8 1 1 A 24 24 TYR HA H 24 3.780 4.040 -0.260 1
1 221 . 8 1 1 A 24 24 TYR CA C 24 60.900 61.763 -0.863 1
1 222 . 8 1 1 A 24 24 TYR CB C 24 39.400 38.344 1.056 1
1 225 . 8 1 1 A 24 24 TYR N N 24 120.400 120.556 -0.156 1
1 226 . 8 1 1 A 25 25 GLN H H 25 7.540 8.307 -0.767 1
1 227 . 8 1 1 A 25 25 GLN HA H 25 3.750 3.882 -0.132 1
1 232 . 8 1 1 A 25 25 GLN CA C 25 57.800 58.761 -0.961 1
1 233 . 8 1 1 A 25 25 GLN CB C 25 28.400 28.627 -0.227 1
1 235 . 8 1 1 A 25 25 GLN N N 25 117.500 118.214 -0.714 1
1 236 . 8 1 1 A 26 26 GLU H H 26 7.980 7.609 0.371 1
1 237 . 8 1 1 A 26 26 GLU HA H 26 4.010 4.304 -0.294 1
1 242 . 8 1 1 A 26 26 GLU CA C 26 57.900 56.577 1.323 1
1 243 . 8 1 1 A 26 26 GLU CB C 26 29.700 30.554 -0.854 1
1 245 . 8 1 1 A 26 26 GLU N N 26 117.900 115.907 1.993 1
1 246 . 8 1 1 A 32 32 HIS HA H 32 4.620 5.047 -0.427 1
1 249 . 8 1 1 A 32 32 HIS CA C 32 56.900 54.218 2.682 1
1 250 . 8 1 1 A 32 32 HIS CB C 32 64.000 28.069 35.931 1
1 251 . 8 1 1 A 33 33 SER HA H 33 4.610 4.508 0.102 1
1 254 . 8 1 1 A 33 33 SER CA C 33 56.900 58.337 -1.437 1
1 255 . 8 1 1 A 33 33 SER CB C 33 64.000 63.709 0.291 1
1 256 . 8 1 1 A 34 34 TYR HA H 34 4.630 4.734 -0.104 1
1 263 . 8 1 1 A 34 34 TYR CA C 34 56.900 57.023 -0.123 1
1 264 . 8 1 1 A 34 34 TYR CB C 34 40.700 38.072 2.628 1
1 267 . 8 1 1 A 36 36 PHE HA H 36 3.910 4.137 -0.227 1
1 275 . 8 1 1 A 36 36 PHE CA C 36 62.000 60.027 1.973 1
1 276 . 8 1 1 A 36 36 PHE CB C 36 39.200 38.112 1.088 1
1 280 . 8 1 1 A 37 37 PHE H H 37 8.090 8.571 -0.481 1
1 281 . 8 1 1 A 37 37 PHE HA H 37 3.980 4.533 -0.553 1
1 289 . 8 1 1 A 37 37 PHE CA C 37 61.600 61.131 0.469 1
1 290 . 8 1 1 A 37 37 PHE CB C 37 38.600 38.070 0.530 1
1 294 . 8 1 1 A 37 37 PHE N N 37 116.200 116.216 -0.016 1
1 295 . 8 1 1 A 38 38 GLU H H 38 9.000 8.145 0.855 1
1 296 . 8 1 1 A 38 38 GLU HA H 38 4.130 4.213 -0.083 1
1 301 . 8 1 1 A 38 38 GLU CA C 38 57.700 58.911 -1.211 1
1 302 . 8 1 1 A 38 38 GLU CB C 38 30.600 30.037 0.563 1
1 304 . 8 1 1 A 38 38 GLU N N 38 116.000 120.659 -4.659 1
1 305 . 8 1 1 A 39 39 THR H H 39 7.390 7.906 -0.516 1
1 306 . 8 1 1 A 39 39 THR HA H 39 4.280 4.298 -0.018 1
1 311 . 8 1 1 A 39 39 THR CA C 39 64.100 63.538 0.562 1
1 312 . 8 1 1 A 39 39 THR CB C 39 70.000 69.430 0.570 1
1 314 . 8 1 1 A 39 39 THR N N 39 110.400 109.832 0.568 1
1 315 . 8 1 1 A 40 40 ILE H H 40 7.250 7.270 -0.020 1
1 316 . 8 1 1 A 40 40 ILE HA H 40 2.570 4.085 -1.515 1
1 326 . 8 1 1 A 40 40 ILE CA C 40 65.800 60.569 5.231 1
1 327 . 8 1 1 A 40 40 ILE CB C 40 37.300 35.346 1.954 1
1 331 . 8 1 1 A 40 40 ILE N N 40 120.900 121.227 -0.327 1
1 332 . 8 1 1 A 41 41 LYS H H 41 8.400 7.975 0.425 1
1 333 . 8 1 1 A 41 41 LYS HA H 41 3.650 4.514 -0.864 1
1 336 . 8 1 1 A 41 41 LYS CA C 41 59.000 57.588 1.412 1
1 337 . 8 1 1 A 41 41 LYS CB C 41 29.700 34.550 -4.850 1
1 338 . 8 1 1 A 41 41 LYS N N 41 118.800 124.131 -5.331 1
1 339 . 8 1 1 A 42 42 PRO HA H 42 4.280 4.263 0.017 1
1 346 . 8 1 1 A 42 42 PRO CA C 42 65.300 66.665 -1.365 1
1 347 . 8 1 1 A 42 42 PRO CB C 42 30.200 30.950 -0.750 1
1 350 . 8 1 1 A 43 43 ALA H H 43 6.790 8.151 -1.361 1
1 351 . 8 1 1 A 43 43 ALA HA H 43 4.190 4.086 0.104 1
1 355 . 8 1 1 A 43 43 ALA CA C 43 54.900 55.201 -0.301 1
1 356 . 8 1 1 A 43 43 ALA CB C 43 18.000 18.436 -0.436 1
1 357 . 8 1 1 A 43 43 ALA N N 43 119.500 118.887 0.613 1
1 358 . 8 1 1 A 44 44 VAL H H 44 8.380 7.881 0.499 1
1 359 . 8 1 1 A 44 44 VAL HA H 44 3.460 3.436 0.024 1
1 367 . 8 1 1 A 44 44 VAL CA C 44 67.200 66.694 0.506 1
1 368 . 8 1 1 A 44 44 VAL CB C 44 31.500 31.585 -0.085 1
1 371 . 8 1 1 A 44 44 VAL N N 44 120.500 118.224 2.276 1
1 372 . 8 1 1 A 45 45 GLU H H 45 8.410 8.680 -0.270 1
1 373 . 8 1 1 A 45 45 GLU HA H 45 4.060 3.919 0.141 1
1 378 . 8 1 1 A 45 45 GLU CA C 45 59.600 59.988 -0.388 1
1 379 . 8 1 1 A 45 45 GLU CB C 45 29.300 29.584 -0.284 1
1 381 . 8 1 1 A 45 45 GLU N N 45 118.400 118.646 -0.246 1
1 382 . 8 1 1 A 46 46 GLU H H 46 8.390 8.236 0.154 1
1 383 . 8 1 1 A 46 46 GLU HA H 46 4.200 4.103 0.097 1
1 388 . 8 1 1 A 46 46 GLU CA C 46 58.900 59.004 -0.104 1
1 389 . 8 1 1 A 46 46 GLU CB C 46 29.300 29.131 0.169 1
1 391 . 8 1 1 A 46 46 GLU N N 46 118.800 120.668 -1.868 1
1 392 . 8 1 1 A 47 47 ASN H H 47 7.700 8.361 -0.661 1
1 393 . 8 1 1 A 47 47 ASN HA H 47 4.900 4.641 0.259 1
1 398 . 8 1 1 A 47 47 ASN CA C 47 57.100 55.918 1.182 1
1 399 . 8 1 1 A 47 47 ASN CB C 47 39.000 38.097 0.903 1
1 400 . 8 1 1 A 47 47 ASN N N 47 118.000 118.854 -0.854 1
1 402 . 8 1 1 A 48 48 ASP H H 48 8.810 8.537 0.273 1
1 403 . 8 1 1 A 48 48 ASP HA H 48 4.520 4.339 0.181 1
1 406 . 8 1 1 A 48 48 ASP CA C 48 57.800 57.615 0.185 1
1 407 . 8 1 1 A 48 48 ASP CB C 48 41.700 41.494 0.206 1
1 408 . 8 1 1 A 48 48 ASP N N 48 124.000 119.360 4.640 1
1 409 . 8 1 1 A 49 49 GLU H H 49 7.310 8.181 -0.871 1
1 410 . 8 1 1 A 49 49 GLU HA H 49 4.070 4.070 0.000 1
1 415 . 8 1 1 A 49 49 GLU CA C 49 59.500 59.230 0.270 1
1 416 . 8 1 1 A 49 49 GLU CB C 49 29.300 29.574 -0.274 1
1 418 . 8 1 1 A 49 49 GLU N N 49 117.600 118.144 -0.544 1
1 419 . 8 1 1 A 50 50 LEU H H 50 7.590 8.412 -0.822 1
1 420 . 8 1 1 A 50 50 LEU HA H 50 4.160 4.201 -0.041 1
1 430 . 8 1 1 A 50 50 LEU CA C 50 58.000 58.107 -0.107 1
1 431 . 8 1 1 A 50 50 LEU CB C 50 41.800 41.498 0.302 1
1 435 . 8 1 1 A 50 50 LEU N N 50 119.500 121.989 -2.489 1
1 436 . 8 1 1 A 51 51 ALA H H 51 8.620 8.625 -0.005 1
1 437 . 8 1 1 A 51 51 ALA HA H 51 4.210 3.991 0.219 1
1 441 . 8 1 1 A 51 51 ALA CA C 51 54.900 55.268 -0.368 1
1 442 . 8 1 1 A 51 51 ALA CB C 51 18.600 18.176 0.424 1
1 443 . 8 1 1 A 51 51 ALA N N 51 118.900 120.545 -1.645 1
1 444 . 8 1 1 A 52 52 ALA H H 52 8.410 7.839 0.571 1
1 445 . 8 1 1 A 52 52 ALA HA H 52 4.210 4.082 0.128 1
1 449 . 8 1 1 A 52 52 ALA CA C 52 55.100 55.480 -0.380 1
1 450 . 8 1 1 A 52 52 ALA CB C 52 18.400 18.255 0.145 1
1 451 . 8 1 1 A 52 52 ALA N N 52 119.400 120.496 -1.096 1
1 452 . 8 1 1 A 53 53 ARG H H 53 8.070 7.873 0.197 1
1 453 . 8 1 1 A 53 53 ARG HA H 53 4.130 4.101 0.029 1
1 460 . 8 1 1 A 53 53 ARG CA C 53 59.100 58.883 0.217 1
1 461 . 8 1 1 A 53 53 ARG CB C 53 30.900 29.809 1.091 1
1 464 . 8 1 1 A 53 53 ARG N N 53 119.500 118.814 0.686 1
1 465 . 8 1 1 A 54 54 TRP H H 54 9.270 8.506 0.764 1
1 466 . 8 1 1 A 54 54 TRP HA H 54 3.830 4.269 -0.439 1
1 475 . 8 1 1 A 54 54 TRP CA C 54 62.400 61.371 1.029 1
1 476 . 8 1 1 A 54 54 TRP CB C 54 29.200 29.305 -0.105 1
1 482 . 8 1 1 A 54 54 TRP N N 54 124.000 122.033 1.967 1
1 484 . 8 1 1 A 55 55 ALA H H 55 8.810 8.611 0.199 1
1 485 . 8 1 1 A 55 55 ALA HA H 55 3.220 3.881 -0.661 1
1 489 . 8 1 1 A 55 55 ALA CA C 55 55.100 55.350 -0.250 1
1 490 . 8 1 1 A 55 55 ALA CB C 55 17.500 18.157 -0.657 1
1 491 . 8 1 1 A 55 55 ALA N N 55 120.800 121.440 -0.640 1
1 492 . 8 1 1 A 56 56 GLU H H 56 7.460 8.344 -0.884 1
1 493 . 8 1 1 A 56 56 GLU HA H 56 3.880 4.093 -0.213 1
1 498 . 8 1 1 A 56 56 GLU CA C 56 59.200 59.393 -0.193 1
1 499 . 8 1 1 A 56 56 GLU CB C 56 29.500 29.047 0.453 1
1 501 . 8 1 1 A 56 56 GLU N N 56 114.800 117.545 -2.745 1
1 502 . 8 1 1 A 57 57 GLY H H 57 7.650 8.468 -0.818 1
1 503 . 8 1 1 A 57 57 GLY HA2 H 57 3.490 3.755 -0.265 1
1 504 . 8 1 1 A 57 57 GLY HA3 H 57 3.850 3.789 0.061 1
1 505 . 8 1 1 A 57 57 GLY CA C 57 47.100 46.878 0.222 1
1 506 . 8 1 1 A 57 57 GLY N N 57 106.000 108.677 -2.677 1
1 507 . 8 1 1 A 58 58 ALA H H 58 8.950 8.080 0.870 1
1 508 . 8 1 1 A 58 58 ALA HA H 58 3.640 3.695 -0.055 1
1 512 . 8 1 1 A 58 58 ALA CA C 58 54.500 54.824 -0.324 1
1 513 . 8 1 1 A 58 58 ALA CB C 58 16.700 18.887 -2.187 1
1 514 . 8 1 1 A 58 58 ALA N N 58 127.400 124.995 2.405 1
1 515 . 8 1 1 A 59 59 LEU H H 59 8.370 8.596 -0.226 1
1 516 . 8 1 1 A 59 59 LEU HA H 59 3.920 3.836 0.084 1
1 526 . 8 1 1 A 59 59 LEU CA C 59 57.300 57.678 -0.378 1
1 527 . 8 1 1 A 59 59 LEU CB C 59 40.800 41.146 -0.346 1
1 531 . 8 1 1 A 59 59 LEU N N 59 116.800 118.467 -1.667 1
1 532 . 8 1 1 A 60 60 GLU H H 60 7.310 8.052 -0.742 1
1 533 . 8 1 1 A 60 60 GLU HA H 60 4.030 3.998 0.032 1
1 538 . 8 1 1 A 60 60 GLU CA C 60 58.800 59.093 -0.293 1
1 539 . 8 1 1 A 60 60 GLU CB C 60 28.900 29.547 -0.647 1
1 541 . 8 1 1 A 60 60 GLU N N 60 119.000 120.601 -1.601 1
1 542 . 8 1 1 A 61 61 LEU H H 61 7.700 8.096 -0.396 1
1 543 . 8 1 1 A 61 61 LEU HA H 61 4.000 4.013 -0.013 1
1 553 . 8 1 1 A 61 61 LEU CA C 61 58.100 58.470 -0.370 1
1 554 . 8 1 1 A 61 61 LEU CB C 61 41.400 41.342 0.058 1
1 558 . 8 1 1 A 61 61 LEU N N 61 120.800 120.625 0.175 1
1 559 . 8 1 1 A 62 62 ILE H H 62 7.510 7.843 -0.333 1
1 560 . 8 1 1 A 62 62 ILE HA H 62 4.040 3.942 0.098 1
1 570 . 8 1 1 A 62 62 ILE CA C 62 63.200 64.056 -0.856 1
1 571 . 8 1 1 A 62 62 ILE CB C 62 37.200 37.145 0.055 1
1 575 . 8 1 1 A 62 62 ILE N N 62 110.700 114.359 -3.659 1
1 576 . 8 1 1 A 63 63 LYS H H 63 7.520 7.790 -0.270 1
1 577 . 8 1 1 A 63 63 LYS HA H 63 4.070 4.104 -0.034 1
1 586 . 8 1 1 A 63 63 LYS CA C 63 58.600 58.722 -0.122 1
1 587 . 8 1 1 A 63 63 LYS CB C 63 32.800 32.095 0.705 1
1 590 . 8 1 1 A 63 63 LYS N N 63 121.100 123.234 -2.134 1
1 591 . 8 1 1 A 64 64 VAL H H 64 7.630 7.217 0.413 1
1 592 . 8 1 1 A 64 64 VAL HA H 64 3.950 3.950 0.000 1
1 600 . 8 1 1 A 64 64 VAL CA C 64 63.900 64.449 -0.549 1
1 601 . 8 1 1 A 64 64 VAL CB C 64 32.400 32.605 -0.205 1
1 604 . 8 1 1 A 64 64 VAL N N 64 115.200 117.579 -2.379 1
1 605 . 8 1 1 A 65 65 ARG H H 65 7.980 8.003 -0.023 1
1 606 . 8 1 1 A 65 65 ARG HA H 65 4.390 4.911 -0.521 1
1 613 . 8 1 1 A 65 65 ARG CA C 65 55.200 54.507 0.693 1
1 614 . 8 1 1 A 65 65 ARG CB C 65 31.500 32.947 -1.447 1
1 617 . 8 1 1 A 65 65 ARG N N 65 118.300 116.241 2.059 1
1 618 . 8 1 1 A 66 66 ARG HA H 66 4.340 4.525 -0.185 1
1 621 . 8 1 1 A 66 66 ARG CA C 66 54.900 53.663 1.237 1
1 622 . 8 1 1 A 66 66 ARG CB C 66 29.200 30.480 -1.280 1
1 629 . 8 1 1 A 68 68 LYS HA H 68 4.100 4.240 -0.140 1
1 638 . 8 1 1 A 68 68 LYS CA C 68 57.900 57.185 0.715 1
1 639 . 8 1 1 A 68 68 LYS CB C 68 34.100 33.530 0.570 1
1 643 . 8 1 1 A 69 69 TYR HA H 69 4.760 4.646 0.114 1
1 650 . 8 1 1 A 69 69 TYR CA C 69 57.800 59.508 -1.708 1
1 651 . 8 1 1 A 69 69 TYR CB C 69 39.600 39.916 -0.316 1
1 654 . 8 1 1 A 70 70 VAL H H 70 6.950 7.879 -0.929 1
1 655 . 8 1 1 A 70 70 VAL HA H 70 4.720 4.232 0.488 1
1 663 . 8 1 1 A 70 70 VAL CA C 70 60.000 62.550 -2.550 1
1 664 . 8 1 1 A 70 70 VAL CB C 70 34.500 32.470 2.030 1
1 667 . 8 1 1 A 70 70 VAL N N 70 115.400 118.353 -2.953 1
1 668 . 8 1 1 A 71 71 HIS H H 71 7.870 8.859 -0.989 1
1 669 . 8 1 1 A 71 71 HIS HA H 71 4.910 4.976 -0.066 1
1 673 . 8 1 1 A 71 71 HIS CA C 71 54.100 54.549 -0.449 1
1 674 . 8 1 1 A 71 71 HIS CB C 71 33.700 33.597 0.103 1
1 676 . 8 1 1 A 71 71 HIS N N 71 120.600 124.118 -3.518 1
1 677 . 8 1 1 A 72 72 LYS H H 72 8.400 8.810 -0.410 1
1 678 . 8 1 1 A 72 72 LYS HA H 72 3.680 3.859 -0.179 1
1 687 . 8 1 1 A 72 72 LYS CA C 72 60.600 60.198 0.402 1
1 688 . 8 1 1 A 72 72 LYS CB C 72 32.800 32.131 0.669 1
1 692 . 8 1 1 A 73 73 GLU H H 73 9.680 8.589 1.091 1
1 693 . 8 1 1 A 73 73 GLU HA H 73 4.170 4.040 0.130 1
1 698 . 8 1 1 A 73 73 GLU CA C 73 60.000 59.520 0.480 1
1 699 . 8 1 1 A 73 73 GLU CB C 73 28.300 29.238 -0.938 1
1 701 . 8 1 1 A 73 73 GLU N N 73 117.300 118.534 -1.234 1
1 702 . 8 1 1 A 74 74 GLN H H 74 7.360 7.667 -0.307 1
1 703 . 8 1 1 A 74 74 GLN HA H 74 4.180 4.081 0.099 1
1 710 . 8 1 1 A 74 74 GLN CA C 74 58.300 58.555 -0.255 1
1 711 . 8 1 1 A 74 74 GLN CB C 74 28.300 28.526 -0.226 1
1 713 . 8 1 1 A 74 74 GLN N N 74 117.700 119.418 -1.718 1
1 715 . 8 1 1 A 75 75 ILE H H 75 7.530 8.034 -0.504 1
1 716 . 8 1 1 A 75 75 ILE HA H 75 3.780 3.841 -0.061 1
1 726 . 8 1 1 A 75 75 ILE CA C 75 64.100 65.626 -1.526 1
1 727 . 8 1 1 A 75 75 ILE CB C 75 36.800 37.911 -1.111 1
1 731 . 8 1 1 A 75 75 ILE N N 75 120.600 121.186 -0.586 1
1 732 . 8 1 1 A 76 76 GLU H H 76 8.340 7.737 0.603 1
1 733 . 8 1 1 A 76 76 GLU HA H 76 3.970 4.127 -0.157 1
1 738 . 8 1 1 A 76 76 GLU CA C 76 59.200 59.380 -0.180 1
1 739 . 8 1 1 A 76 76 GLU CB C 76 29.700 29.136 0.564 1
1 741 . 8 1 1 A 76 76 GLU N N 76 117.500 121.163 -3.663 1
1 742 . 8 1 1 A 77 77 ALA H H 77 7.390 7.606 -0.216 1
1 743 . 8 1 1 A 77 77 ALA HA H 77 4.370 4.107 0.263 1
1 747 . 8 1 1 A 77 77 ALA CA C 77 53.400 55.151 -1.751 1
1 748 . 8 1 1 A 77 77 ALA CB C 77 18.800 18.378 0.422 1
1 749 . 8 1 1 A 77 77 ALA N N 77 118.600 123.061 -4.461 1
1 750 . 8 1 1 A 78 78 VAL H H 78 7.620 8.488 -0.868 1
1 751 . 8 1 1 A 78 78 VAL HA H 78 3.720 3.417 0.303 1
1 759 . 8 1 1 A 78 78 VAL CA C 78 66.700 67.110 -0.410 1
1 760 . 8 1 1 A 78 78 VAL CB C 78 31.500 31.513 -0.013 1
1 763 . 8 1 1 A 78 78 VAL N N 78 116.800 119.022 -2.222 1
1 764 . 8 1 1 A 79 79 LYS H H 79 8.570 8.126 0.444 1
1 765 . 8 1 1 A 79 79 LYS HA H 79 3.780 3.955 -0.175 1
1 774 . 8 1 1 A 79 79 LYS CA C 79 61.800 59.975 1.825 1
1 775 . 8 1 1 A 79 79 LYS CB C 79 31.500 32.291 -0.791 1
1 779 . 8 1 1 A 79 79 LYS N N 79 119.500 120.332 -0.832 1
1 780 . 8 1 1 A 80 80 ASP H H 80 8.350 7.732 0.618 1
1 781 . 8 1 1 A 80 80 ASP HA H 80 4.490 4.386 0.104 1
1 784 . 8 1 1 A 80 80 ASP CA C 80 57.300 57.384 -0.084 1
1 785 . 8 1 1 A 80 80 ASP CB C 80 40.000 41.174 -1.174 1
1 786 . 8 1 1 A 80 80 ASP N N 80 115.500 119.342 -3.842 1
1 787 . 8 1 1 A 81 81 ASN H H 81 7.690 8.667 -0.977 1
1 788 . 8 1 1 A 81 81 ASN HA H 81 4.540 4.435 0.105 1
1 793 . 8 1 1 A 81 81 ASN CA C 81 55.500 56.230 -0.730 1
1 794 . 8 1 1 A 81 81 ASN CB C 81 38.600 38.105 0.495 1
1 795 . 8 1 1 A 81 81 ASN N N 81 118.300 117.280 1.020 1
1 797 . 8 1 1 A 82 82 PHE H H 82 9.620 8.589 1.031 1
1 798 . 8 1 1 A 82 82 PHE HA H 82 4.060 4.132 -0.072 1
1 806 . 8 1 1 A 82 82 PHE CA C 82 60.900 61.248 -0.348 1
1 807 . 8 1 1 A 82 82 PHE CB C 82 39.500 39.346 0.154 1
1 811 . 8 1 1 A 82 82 PHE N N 82 121.400 122.922 -1.522 1
1 812 . 8 1 1 A 83 83 LEU H H 83 8.210 8.694 -0.484 1
1 813 . 8 1 1 A 83 83 LEU HA H 83 3.900 3.836 0.064 1
1 823 . 8 1 1 A 83 83 LEU CA C 83 57.000 57.714 -0.714 1
1 824 . 8 1 1 A 83 83 LEU CB C 83 40.400 41.358 -0.958 1
1 828 . 8 1 1 A 83 83 LEU N N 83 117.400 119.157 -1.757 1
1 829 . 8 1 1 A 84 84 GLU H H 84 7.660 8.248 -0.588 1
1 830 . 8 1 1 A 84 84 GLU HA H 84 4.150 4.093 0.057 1
1 835 . 8 1 1 A 84 84 GLU CA C 84 59.500 59.357 0.143 1
1 836 . 8 1 1 A 84 84 GLU CB C 84 28.700 29.258 -0.558 1
1 838 . 8 1 1 A 84 84 GLU N N 84 121.500 118.891 2.609 1
1 839 . 8 1 1 A 85 85 LEU H H 85 8.100 8.129 -0.029 1
1 840 . 8 1 1 A 85 85 LEU HA H 85 3.600 3.976 -0.376 1
1 850 . 8 1 1 A 85 85 LEU CA C 85 59.300 58.210 1.090 1
1 851 . 8 1 1 A 85 85 LEU CB C 85 41.800 41.208 0.592 1
1 855 . 8 1 1 A 85 85 LEU N N 85 121.700 122.458 -0.758 1
1 856 . 8 1 1 A 86 86 VAL H H 86 8.220 7.829 0.391 1
1 857 . 8 1 1 A 86 86 VAL HA H 86 3.100 3.400 -0.300 1
1 865 . 8 1 1 A 86 86 VAL CA C 86 67.200 66.605 0.595 1
1 866 . 8 1 1 A 86 86 VAL CB C 86 31.500 31.523 -0.023 1
1 869 . 8 1 1 A 86 86 VAL N N 86 118.400 119.165 -0.765 1
1 870 . 8 1 1 A 87 87 LEU H H 87 8.450 8.078 0.372 1
1 871 . 8 1 1 A 87 87 LEU HA H 87 3.960 4.135 -0.175 1
1 881 . 8 1 1 A 87 87 LEU CA C 87 59.100 58.766 0.334 1
1 882 . 8 1 1 A 87 87 LEU CB C 87 42.300 41.853 0.447 1
1 886 . 8 1 1 A 87 87 LEU N N 87 120.200 120.139 0.061 1
1 887 . 8 1 1 A 88 88 GLN H H 88 9.350 8.544 0.806 1
1 888 . 8 1 1 A 88 88 GLN HA H 88 4.180 4.294 -0.114 1
1 895 . 8 1 1 A 88 88 GLN CA C 88 57.300 57.827 -0.527 1
1 896 . 8 1 1 A 88 88 GLN CB C 88 25.400 27.602 -2.202 1
1 898 . 8 1 1 A 88 88 GLN N N 88 114.900 117.143 -2.243 1
1 900 . 8 1 1 A 89 89 SER H H 89 8.680 7.891 0.789 1
1 901 . 8 1 1 A 89 89 SER HA H 89 4.080 4.259 -0.179 1
1 904 . 8 1 1 A 89 89 SER CA C 89 61.900 61.170 0.730 1
1 905 . 8 1 1 A 89 89 SER CB C 89 62.200 62.784 -0.584 1
1 906 . 8 1 1 A 89 89 SER N N 89 117.500 116.209 1.291 1
1 907 . 8 1 1 A 90 90 TYR H H 90 7.330 7.076 0.254 1
1 908 . 8 1 1 A 90 90 TYR HA H 90 4.320 4.211 0.109 1
1 915 . 8 1 1 A 90 90 TYR CA C 90 59.700 60.526 -0.826 1
1 916 . 8 1 1 A 90 90 TYR CB C 90 41.400 38.578 2.822 1
1 919 . 8 1 1 A 90 90 TYR N N 90 116.000 119.914 -3.914 1
1 920 . 8 1 1 A 91 91 VAL H H 91 7.730 7.263 0.467 1
1 921 . 8 1 1 A 91 91 VAL HA H 91 4.010 4.103 -0.093 1
1 929 . 8 1 1 A 91 91 VAL CA C 91 62.600 62.728 -0.128 1
1 930 . 8 1 1 A 91 91 VAL CB C 91 32.700 32.232 0.468 1
1 933 . 8 1 1 A 91 91 VAL N N 91 110.500 113.480 -2.980 1
1 934 . 8 1 1 A 92 92 HIS H H 92 8.600 7.950 0.650 1
1 935 . 8 1 1 A 92 92 HIS HA H 92 4.280 4.484 -0.204 1
1 939 . 8 1 1 A 92 92 HIS CA C 92 56.000 56.915 -0.915 1
1 940 . 8 1 1 A 92 92 HIS CB C 92 29.200 26.422 2.778 1
1 942 . 8 1 1 A 92 92 HIS N N 92 114.500 116.111 -1.611 1
1 943 . 8 1 1 A 93 93 HIS H H 93 8.350 8.034 0.316 1
1 944 . 8 1 1 A 93 93 HIS HA H 93 4.780 4.581 0.199 1
1 948 . 8 1 1 A 93 93 HIS CA C 93 57.600 54.369 3.231 1
1 949 . 8 1 1 A 93 93 HIS CB C 93 31.900 28.523 3.377 1
1 951 . 8 1 1 A 93 93 HIS N N 93 118.200 118.146 0.054 1
1 952 . 8 1 1 A 94 94 ILE H H 94 7.470 7.784 -0.314 1
1 953 . 8 1 1 A 94 94 ILE HA H 94 4.370 4.366 0.004 1
1 963 . 8 1 1 A 94 94 ILE CA C 94 60.900 60.035 0.865 1
1 964 . 8 1 1 A 94 94 ILE CB C 94 39.600 40.736 -1.136 1
1 968 . 8 1 1 A 94 94 ILE N N 94 111.400 123.794 -12.394 1
1 969 . 8 1 1 A 95 95 HIS H H 95 6.990 8.664 -1.674 1
1 970 . 8 1 1 A 96 96 LYS HA H 96 4.040 3.944 0.096 1
1 977 . 8 1 1 A 97 97 LYS HA H 97 4.130 4.062 0.068 1
1 986 . 8 1 1 A 97 97 LYS CA C 97 59.400 59.244 0.156 1
1 987 . 8 1 1 A 97 97 LYS CB C 97 32.000 32.050 -0.050 1
1 991 . 8 1 1 A 98 98 ARG H H 98 7.150 7.895 -0.745 1
1 992 . 8 1 1 A 98 98 ARG HA H 98 4.150 4.016 0.134 1
1 999 . 8 1 1 A 98 98 ARG CA C 98 57.900 59.102 -1.202 1
1 1000 . 8 1 1 A 98 98 ARG CB C 98 28.600 29.862 -1.262 1
1 1003 . 8 1 1 A 98 98 ARG N N 98 118.500 119.226 -0.726 1
1 1004 . 8 1 1 A 99 99 PHE H H 99 8.260 8.189 0.071 1
1 1005 . 8 1 1 A 99 99 PHE HA H 99 3.450 4.048 -0.598 1
1 1013 . 8 1 1 A 99 99 PHE CA C 99 62.700 61.364 1.336 1
1 1014 . 8 1 1 A 99 99 PHE CB C 99 39.200 39.107 0.093 1
1 1018 . 8 1 1 A 99 99 PHE N N 99 119.100 120.420 -1.320 1
1 1019 . 8 1 1 A 100 100 LYS H H 100 8.500 8.484 0.016 1
1 1020 . 8 1 1 A 100 100 LYS HA H 100 3.980 3.834 0.146 1
1 1029 . 8 1 1 A 100 100 LYS CA C 100 59.300 60.043 -0.743 1
1 1030 . 8 1 1 A 100 100 LYS CB C 100 31.900 32.541 -0.641 1
1 1034 . 8 1 1 A 100 100 LYS N N 100 121.700 118.462 3.238 1
1 1035 . 8 1 1 A 101 101 ASP H H 101 8.150 8.010 0.140 1
1 1036 . 8 1 1 A 101 101 ASP HA H 101 4.290 4.283 0.007 1
1 1039 . 8 1 1 A 101 101 ASP CA C 101 57.300 57.911 -0.611 1
1 1040 . 8 1 1 A 101 101 ASP CB C 101 39.900 41.643 -1.743 1
1 1041 . 8 1 1 A 101 101 ASP N N 101 119.800 119.362 0.438 1
1 1042 . 8 1 1 A 102 102 ILE H H 102 8.220 8.044 0.176 1
1 1043 . 8 1 1 A 102 102 ILE HA H 102 3.690 3.525 0.165 1
1 1053 . 8 1 1 A 102 102 ILE CA C 102 65.000 64.939 0.061 1
1 1054 . 8 1 1 A 102 102 ILE CB C 102 37.700 37.229 0.471 1
1 1058 . 8 1 1 A 102 102 ILE N N 102 118.800 118.719 0.081 1
1 1059 . 8 1 1 A 103 103 THR H H 103 7.930 8.032 -0.102 1
1 1060 . 8 1 1 A 103 103 THR HA H 103 3.480 3.619 -0.139 1
1 1066 . 8 1 1 A 103 103 THR CA C 103 67.300 66.834 0.466 1
1 1067 . 8 1 1 A 103 103 THR CB C 103 67.700 68.249 -0.549 1
1 1069 . 8 1 1 A 103 103 THR N N 103 117.900 116.835 1.065 1
1 1070 . 8 1 1 A 104 104 GLU H H 104 8.470 8.525 -0.055 1
1 1071 . 8 1 1 A 104 104 GLU HA H 104 3.920 3.921 -0.001 1
1 1076 . 8 1 1 A 104 104 GLU CA C 104 59.500 59.520 -0.020 1
1 1077 . 8 1 1 A 104 104 GLU CB C 104 29.200 29.296 -0.096 1
1 1079 . 8 1 1 A 104 104 GLU N N 104 118.900 122.326 -3.426 1
1 1080 . 8 1 1 A 105 105 SER H H 105 7.840 7.955 -0.115 1
1 1081 . 8 1 1 A 105 105 SER HA H 105 4.290 4.183 0.107 1
1 1084 . 8 1 1 A 105 105 SER CA C 105 60.900 61.742 -0.842 1
1 1085 . 8 1 1 A 105 105 SER CB C 105 62.700 63.060 -0.360 1
1 1086 . 8 1 1 A 105 105 SER N N 105 114.200 114.304 -0.104 1
1 1087 . 8 1 1 A 106 106 VAL H H 106 8.290 8.207 0.083 1
1 1088 . 8 1 1 A 106 106 VAL HA H 106 3.690 3.633 0.057 1
1 1096 . 8 1 1 A 106 106 VAL CA C 106 66.300 66.873 -0.573 1
1 1097 . 8 1 1 A 106 106 VAL CB C 106 31.900 31.754 0.146 1
1 1100 . 8 1 1 A 106 106 VAL N N 106 122.100 120.869 1.231 1
1 1101 . 8 1 1 A 107 107 LEU H H 107 8.560 8.469 0.091 1
1 1102 . 8 1 1 A 107 107 LEU HA H 107 3.900 3.769 0.131 1
1 1112 . 8 1 1 A 107 107 LEU CA C 107 58.300 57.926 0.374 1
1 1113 . 8 1 1 A 107 107 LEU CB C 107 41.200 41.345 -0.145 1
1 1117 . 8 1 1 A 107 107 LEU N N 107 117.500 117.955 -0.455 1
1 1118 . 8 1 1 A 108 108 TYR H H 108 8.450 8.752 -0.302 1
1 1119 . 8 1 1 A 108 108 TYR HA H 108 4.170 3.907 0.263 1
1 1126 . 8 1 1 A 108 108 TYR CA C 108 61.800 61.902 -0.102 1
1 1127 . 8 1 1 A 108 108 TYR CB C 108 37.900 38.550 -0.650 1
1 1130 . 8 1 1 A 108 108 TYR N N 108 119.000 119.297 -0.297 1
1 1131 . 8 1 1 A 109 109 THR H H 109 7.800 8.159 -0.359 1
1 1132 . 8 1 1 A 109 109 THR HA H 109 3.860 4.143 -0.283 1
1 1137 . 8 1 1 A 109 109 THR CA C 109 66.800 67.419 -0.619 1
1 1138 . 8 1 1 A 109 109 THR CB C 109 67.800 67.891 -0.091 1
1 1140 . 8 1 1 A 109 109 THR N N 109 116.500 115.203 1.297 1
1 1141 . 8 1 1 A 110 110 LEU H H 110 8.510 8.535 -0.025 1
1 1142 . 8 1 1 A 110 110 LEU HA H 110 3.900 4.026 -0.126 1
1 1152 . 8 1 1 A 110 110 LEU CA C 110 58.500 57.894 0.606 1
1 1153 . 8 1 1 A 110 110 LEU CB C 110 41.300 41.750 -0.450 1
1 1157 . 8 1 1 A 110 110 LEU N N 110 121.000 120.790 0.210 1
1 1158 . 8 1 1 A 111 111 HIS H H 111 8.440 8.529 -0.089 1
1 1159 . 8 1 1 A 111 111 HIS HA H 111 4.000 4.187 -0.187 1
1 1163 . 8 1 1 A 111 111 HIS CA C 111 60.900 60.206 0.694 1
1 1164 . 8 1 1 A 111 111 HIS CB C 111 29.700 28.881 0.819 1
1 1166 . 8 1 1 A 111 111 HIS N N 111 116.300 117.821 -1.521 1
1 1167 . 8 1 1 A 112 112 ALA H H 112 7.920 7.935 -0.015 1
1 1168 . 8 1 1 A 112 112 ALA HA H 112 4.130 3.650 0.480 1
1 1172 . 8 1 1 A 112 112 ALA CA C 112 55.000 54.967 0.033 1
1 1173 . 8 1 1 A 112 112 ALA CB C 112 17.600 18.344 -0.744 1
1 1174 . 8 1 1 A 112 112 ALA N N 112 122.900 122.074 0.826 1
1 1175 . 8 1 1 A 113 113 VAL H H 113 8.300 8.214 0.086 1
1 1176 . 8 1 1 A 113 113 VAL HA H 113 3.540 3.406 0.134 1
1 1184 . 8 1 1 A 113 113 VAL CA C 113 67.200 66.862 0.338 1
1 1185 . 8 1 1 A 113 113 VAL CB C 113 31.000 31.601 -0.601 1
1 1188 . 8 1 1 A 113 113 VAL N N 113 119.000 119.120 -0.120 1
1 1189 . 8 1 1 A 114 114 LYS H H 114 8.220 8.371 -0.151 1
1 1190 . 8 1 1 A 114 114 LYS HA H 114 3.810 3.994 -0.184 1
1 1199 . 8 1 1 A 114 114 LYS CA C 114 60.800 59.984 0.816 1
1 1200 . 8 1 1 A 114 114 LYS CB C 114 31.500 32.095 -0.595 1
1 1204 . 8 1 1 A 114 114 LYS N N 114 120.600 120.577 0.023 1
1 1205 . 8 1 1 A 115 115 ASP H H 115 8.180 7.959 0.221 1
1 1206 . 8 1 1 A 115 115 ASP HA H 115 4.300 4.252 0.048 1
1 1209 . 8 1 1 A 115 115 ASP CA C 115 56.800 57.474 -0.674 1
1 1210 . 8 1 1 A 115 115 ASP CB C 115 39.600 41.419 -1.819 1
1 1211 . 8 1 1 A 115 115 ASP N N 115 118.800 119.404 -0.604 1
1 1212 . 8 1 1 A 116 116 GLU H H 116 7.990 8.080 -0.090 1
1 1213 . 8 1 1 A 116 116 GLU HA H 116 4.060 4.100 -0.040 1
1 1218 . 8 1 1 A 116 116 GLU CA C 116 58.400 58.916 -0.516 1
1 1219 . 8 1 1 A 116 116 GLU CB C 116 29.000 29.658 -0.658 1
1 1221 . 8 1 1 A 116 116 GLU N N 116 120.800 117.516 3.284 1
1 1222 . 8 1 1 A 117 117 ILE H H 117 8.370 8.214 0.156 1
1 1223 . 8 1 1 A 117 117 ILE HA H 117 3.610 3.701 -0.091 1
1 1233 . 8 1 1 A 117 117 ILE CA C 117 64.800 65.528 -0.728 1
1 1234 . 8 1 1 A 117 117 ILE CB C 117 38.600 37.904 0.696 1
1 1238 . 8 1 1 A 117 117 ILE N N 117 119.700 121.424 -1.724 1
1 1239 . 8 1 1 A 118 118 ALA H H 118 7.720 7.659 0.061 1
1 1240 . 8 1 1 A 118 118 ALA HA H 118 4.250 4.094 0.156 1
1 1244 . 8 1 1 A 118 118 ALA CA C 118 52.900 54.286 -1.386 1
1 1245 . 8 1 1 A 118 118 ALA CB C 118 18.700 18.550 0.150 1
1 1246 . 8 1 1 A 118 118 ALA N N 118 119.900 122.663 -2.763 1
1 1247 . 8 1 1 A 119 119 ARG H H 119 7.450 8.036 -0.586 1
1 1248 . 8 1 1 A 119 119 ARG HA H 119 4.110 4.198 -0.088 1
1 1255 . 8 1 1 A 119 119 ARG CA C 119 57.600 57.074 0.526 1
1 1256 . 8 1 1 A 119 119 ARG CB C 119 31.000 30.065 0.935 1
1 1259 . 8 1 1 A 119 119 ARG N N 119 118.400 118.911 -0.511 1
1 1260 . 8 1 1 A 120 120 GLU H H 120 8.890 8.648 0.242 1
1 1261 . 8 1 1 A 120 120 GLU HA H 120 4.280 4.078 0.202 1
1 1266 . 8 1 1 A 120 120 GLU CA C 120 57.600 59.357 -1.757 1
1 1267 . 8 1 1 A 120 120 GLU CB C 120 30.100 29.235 0.865 1
1 1269 . 8 1 1 A 120 120 GLU N N 120 114.900 117.806 -2.906 1
1 1 . 9 1 1 A 6 6 LEU HA H 6 4.230 4.090 0.140 1
1 11 . 9 1 1 A 6 6 LEU CA C 6 58.000 58.438 -0.438 1
1 12 . 9 1 1 A 6 6 LEU CB C 6 40.900 41.231 -0.331 1
1 16 . 9 1 1 A 7 7 LEU H H 7 8.970 8.322 0.648 1
1 17 . 9 1 1 A 7 7 LEU HA H 7 3.970 4.032 -0.062 1
1 27 . 9 1 1 A 7 7 LEU CA C 7 58.500 58.460 0.040 1
1 28 . 9 1 1 A 7 7 LEU CB C 7 41.000 41.374 -0.374 1
1 32 . 9 1 1 A 7 7 LEU N N 7 124.300 119.889 4.411 1
1 33 . 9 1 1 A 8 8 GLU H H 8 7.910 8.185 -0.275 1
1 34 . 9 1 1 A 8 8 GLU HA H 8 4.040 3.969 0.071 1
1 39 . 9 1 1 A 8 8 GLU CA C 8 59.500 59.559 -0.059 1
1 40 . 9 1 1 A 8 8 GLU CB C 8 29.200 29.203 -0.003 1
1 42 . 9 1 1 A 8 8 GLU N N 8 119.000 118.765 0.235 1
1 43 . 9 1 1 A 9 9 MET H H 9 8.520 7.789 0.731 1
1 44 . 9 1 1 A 9 9 MET HA H 9 4.030 4.205 -0.175 1
1 52 . 9 1 1 A 9 9 MET CA C 9 59.900 58.421 1.479 1
1 53 . 9 1 1 A 9 9 MET CB C 9 36.000 31.990 4.010 1
1 56 . 9 1 1 A 9 9 MET N N 9 117.500 120.024 -2.524 1
1 57 . 9 1 1 A 10 10 THR H H 10 8.470 7.454 1.016 1
1 58 . 9 1 1 A 10 10 THR HA H 10 3.550 3.713 -0.163 1
1 64 . 9 1 1 A 10 10 THR CA C 10 67.200 67.707 -0.507 1
1 65 . 9 1 1 A 10 10 THR CB C 10 68.500 67.971 0.529 1
1 67 . 9 1 1 A 10 10 THR N N 10 116.600 115.653 0.947 1
1 68 . 9 1 1 A 11 11 GLU H H 11 8.500 8.883 -0.383 1
1 69 . 9 1 1 A 11 11 GLU HA H 11 3.910 3.843 0.067 1
1 74 . 9 1 1 A 11 11 GLU CA C 11 59.400 60.004 -0.604 1
1 75 . 9 1 1 A 11 11 GLU CB C 11 29.200 29.107 0.093 1
1 77 . 9 1 1 A 11 11 GLU N N 11 119.400 119.065 0.335 1
1 78 . 9 1 1 A 12 12 GLN H H 12 8.140 7.980 0.160 1
1 79 . 9 1 1 A 12 12 GLN HA H 12 4.100 4.083 0.017 1
1 86 . 9 1 1 A 12 12 GLN CA C 12 59.000 58.750 0.250 1
1 87 . 9 1 1 A 12 12 GLN CB C 12 27.800 28.752 -0.952 1
1 89 . 9 1 1 A 12 12 GLN N N 12 120.400 119.821 0.579 1
1 91 . 9 1 1 A 13 13 MET H H 13 8.120 7.803 0.317 1
1 92 . 9 1 1 A 13 13 MET HA H 13 3.710 4.105 -0.395 1
1 100 . 9 1 1 A 13 13 MET CA C 13 59.600 58.807 0.793 1
1 101 . 9 1 1 A 13 13 MET CB C 13 33.300 32.477 0.823 1
1 104 . 9 1 1 A 13 13 MET N N 13 118.500 118.543 -0.043 1
1 105 . 9 1 1 A 14 14 ILE H H 14 8.040 8.211 -0.171 1
1 106 . 9 1 1 A 14 14 ILE HA H 14 3.270 3.546 -0.276 1
1 116 . 9 1 1 A 14 14 ILE CA C 14 65.700 64.800 0.900 1
1 117 . 9 1 1 A 14 14 ILE CB C 14 38.000 37.400 0.600 1
1 121 . 9 1 1 A 14 14 ILE N N 14 119.400 119.279 0.121 1
1 122 . 9 1 1 A 15 15 GLU H H 15 7.700 8.276 -0.576 1
1 123 . 9 1 1 A 15 15 GLU HA H 15 4.110 3.969 0.141 1
1 128 . 9 1 1 A 15 15 GLU CA C 15 59.300 59.516 -0.216 1
1 129 . 9 1 1 A 15 15 GLU CB C 15 29.200 29.607 -0.407 1
1 131 . 9 1 1 A 15 15 GLU N N 15 119.000 120.972 -1.972 1
1 132 . 9 1 1 A 16 16 VAL H H 16 8.410 8.098 0.312 1
1 133 . 9 1 1 A 16 16 VAL HA H 16 3.530 3.669 -0.139 1
1 141 . 9 1 1 A 16 16 VAL CA C 16 66.600 66.385 0.215 1
1 142 . 9 1 1 A 16 16 VAL CB C 16 31.900 31.687 0.213 1
1 145 . 9 1 1 A 16 16 VAL N N 16 119.500 119.969 -0.469 1
1 146 . 9 1 1 A 17 17 ALA H H 17 8.600 7.880 0.720 1
1 147 . 9 1 1 A 17 17 ALA HA H 17 4.080 3.940 0.140 1
1 151 . 9 1 1 A 17 17 ALA CA C 17 54.700 55.536 -0.836 1
1 152 . 9 1 1 A 17 17 ALA CB C 17 17.700 17.776 -0.076 1
1 153 . 9 1 1 A 17 17 ALA N N 17 123.100 121.769 1.331 1
1 154 . 9 1 1 A 18 18 GLU H H 18 8.850 8.447 0.403 1
1 155 . 9 1 1 A 18 18 GLU HA H 18 3.990 4.004 -0.014 1
1 160 . 9 1 1 A 18 18 GLU CA C 18 59.500 59.557 -0.057 1
1 161 . 9 1 1 A 18 18 GLU CB C 18 29.700 29.637 0.063 1
1 163 . 9 1 1 A 18 18 GLU N N 18 117.900 117.675 0.225 1
1 164 . 9 1 1 A 19 19 LYS H H 19 8.750 8.204 0.546 1
1 165 . 9 1 1 A 19 19 LYS HA H 19 4.150 4.093 0.057 1
1 174 . 9 1 1 A 19 19 LYS CA C 19 58.700 59.217 -0.517 1
1 175 . 9 1 1 A 19 19 LYS CB C 19 31.900 32.249 -0.349 1
1 179 . 9 1 1 A 19 19 LYS N N 19 119.200 119.037 0.163 1
1 180 . 9 1 1 A 20 20 GLY H H 20 8.640 8.841 -0.201 1
1 181 . 9 1 1 A 20 20 GLY HA2 H 20 3.790 3.921 -0.131 1
1 182 . 9 1 1 A 20 20 GLY HA3 H 20 3.500 3.922 -0.422 1
1 183 . 9 1 1 A 20 20 GLY CA C 20 46.400 47.182 -0.782 1
1 184 . 9 1 1 A 20 20 GLY N N 20 110.300 108.598 1.702 1
1 185 . 9 1 1 A 21 21 ALA H H 21 8.550 8.359 0.191 1
1 186 . 9 1 1 A 21 21 ALA HA H 21 4.490 4.296 0.194 1
1 190 . 9 1 1 A 21 21 ALA CA C 21 55.100 54.867 0.233 1
1 191 . 9 1 1 A 21 21 ALA CB C 21 17.300 18.607 -1.307 1
1 192 . 9 1 1 A 21 21 ALA N N 21 125.300 124.762 0.538 1
1 193 . 9 1 1 A 22 22 ASP H H 22 7.660 8.523 -0.863 1
1 194 . 9 1 1 A 22 22 ASP HA H 22 4.460 4.418 0.042 1
1 197 . 9 1 1 A 22 22 ASP CA C 22 56.900 57.674 -0.774 1
1 198 . 9 1 1 A 22 22 ASP CB C 22 40.500 42.020 -1.520 1
1 199 . 9 1 1 A 22 22 ASP N N 22 119.000 118.513 0.487 1
1 200 . 9 1 1 A 23 23 ARG H H 23 8.110 8.507 -0.397 1
1 201 . 9 1 1 A 23 23 ARG HA H 23 4.000 4.055 -0.055 1
1 208 . 9 1 1 A 23 23 ARG CA C 23 59.200 59.186 0.014 1
1 209 . 9 1 1 A 23 23 ARG CB C 23 30.700 29.810 0.890 1
1 212 . 9 1 1 A 23 23 ARG N N 23 121.800 120.151 1.649 1
1 213 . 9 1 1 A 24 24 TYR H H 24 8.460 8.496 -0.036 1
1 214 . 9 1 1 A 24 24 TYR HA H 24 3.780 4.119 -0.339 1
1 221 . 9 1 1 A 24 24 TYR CA C 24 60.900 61.940 -1.040 1
1 222 . 9 1 1 A 24 24 TYR CB C 24 39.400 38.411 0.989 1
1 225 . 9 1 1 A 24 24 TYR N N 24 120.400 120.702 -0.302 1
1 226 . 9 1 1 A 25 25 GLN H H 25 7.540 8.534 -0.994 1
1 227 . 9 1 1 A 25 25 GLN HA H 25 3.750 4.036 -0.286 1
1 232 . 9 1 1 A 25 25 GLN CA C 25 57.800 58.903 -1.103 1
1 233 . 9 1 1 A 25 25 GLN CB C 25 28.400 28.610 -0.210 1
1 235 . 9 1 1 A 25 25 GLN N N 25 117.500 118.490 -0.990 1
1 236 . 9 1 1 A 26 26 GLU H H 26 7.980 7.883 0.097 1
1 237 . 9 1 1 A 26 26 GLU HA H 26 4.010 4.311 -0.301 1
1 242 . 9 1 1 A 26 26 GLU CA C 26 57.900 57.763 0.137 1
1 243 . 9 1 1 A 26 26 GLU CB C 26 29.700 30.615 -0.915 1
1 245 . 9 1 1 A 26 26 GLU N N 26 117.900 118.446 -0.546 1
1 246 . 9 1 1 A 32 32 HIS HA H 32 4.620 4.854 -0.234 1
1 249 . 9 1 1 A 32 32 HIS CA C 32 56.900 54.042 2.858 1
1 250 . 9 1 1 A 32 32 HIS CB C 32 64.000 29.452 34.548 1
1 251 . 9 1 1 A 33 33 SER HA H 33 4.610 4.336 0.274 1
1 254 . 9 1 1 A 33 33 SER CA C 33 56.900 57.476 -0.576 1
1 255 . 9 1 1 A 33 33 SER CB C 33 64.000 61.937 2.063 1
1 256 . 9 1 1 A 34 34 TYR HA H 34 4.630 5.192 -0.562 1
1 263 . 9 1 1 A 34 34 TYR CA C 34 56.900 56.832 0.068 1
1 264 . 9 1 1 A 34 34 TYR CB C 34 40.700 40.182 0.518 1
1 267 . 9 1 1 A 36 36 PHE HA H 36 3.910 4.488 -0.578 1
1 275 . 9 1 1 A 36 36 PHE CA C 36 62.000 59.364 2.636 1
1 276 . 9 1 1 A 36 36 PHE CB C 36 39.200 38.772 0.428 1
1 280 . 9 1 1 A 37 37 PHE H H 37 8.090 8.138 -0.048 1
1 281 . 9 1 1 A 37 37 PHE HA H 37 3.980 4.580 -0.600 1
1 289 . 9 1 1 A 37 37 PHE CA C 37 61.600 59.920 1.680 1
1 290 . 9 1 1 A 37 37 PHE CB C 37 38.600 40.732 -2.132 1
1 294 . 9 1 1 A 37 37 PHE N N 37 116.200 119.184 -2.984 1
1 295 . 9 1 1 A 38 38 GLU H H 38 9.000 8.747 0.253 1
1 296 . 9 1 1 A 38 38 GLU HA H 38 4.130 3.993 0.137 1
1 301 . 9 1 1 A 38 38 GLU CA C 38 57.700 59.529 -1.829 1
1 302 . 9 1 1 A 38 38 GLU CB C 38 30.600 29.429 1.171 1
1 304 . 9 1 1 A 38 38 GLU N N 38 116.000 117.725 -1.725 1
1 305 . 9 1 1 A 39 39 THR H H 39 7.390 7.854 -0.464 1
1 306 . 9 1 1 A 39 39 THR HA H 39 4.280 4.061 0.219 1
1 311 . 9 1 1 A 39 39 THR CA C 39 64.100 62.739 1.361 1
1 312 . 9 1 1 A 39 39 THR CB C 39 70.000 68.714 1.286 1
1 314 . 9 1 1 A 39 39 THR N N 39 110.400 110.503 -0.103 1
1 315 . 9 1 1 A 40 40 ILE H H 40 7.250 7.505 -0.255 1
1 316 . 9 1 1 A 40 40 ILE HA H 40 2.570 4.125 -1.555 1
1 326 . 9 1 1 A 40 40 ILE CA C 40 65.800 60.760 5.040 1
1 327 . 9 1 1 A 40 40 ILE CB C 40 37.300 37.213 0.087 1
1 331 . 9 1 1 A 40 40 ILE N N 40 120.900 119.878 1.022 1
1 332 . 9 1 1 A 41 41 LYS H H 41 8.400 7.763 0.637 1
1 333 . 9 1 1 A 41 41 LYS HA H 41 3.650 4.002 -0.352 1
1 336 . 9 1 1 A 41 41 LYS CA C 41 59.000 58.930 0.070 1
1 337 . 9 1 1 A 41 41 LYS CB C 41 29.700 33.298 -3.598 1
1 338 . 9 1 1 A 41 41 LYS N N 41 118.800 122.445 -3.645 1
1 339 . 9 1 1 A 42 42 PRO HA H 42 4.280 4.234 0.046 1
1 346 . 9 1 1 A 42 42 PRO CA C 42 65.300 66.281 -0.981 1
1 347 . 9 1 1 A 42 42 PRO CB C 42 30.200 30.597 -0.397 1
1 350 . 9 1 1 A 43 43 ALA H H 43 6.790 8.051 -1.261 1
1 351 . 9 1 1 A 43 43 ALA HA H 43 4.190 4.070 0.120 1
1 355 . 9 1 1 A 43 43 ALA CA C 43 54.900 55.178 -0.278 1
1 356 . 9 1 1 A 43 43 ALA CB C 43 18.000 18.425 -0.425 1
1 357 . 9 1 1 A 43 43 ALA N N 43 119.500 118.893 0.607 1
1 358 . 9 1 1 A 44 44 VAL H H 44 8.380 7.876 0.504 1
1 359 . 9 1 1 A 44 44 VAL HA H 44 3.460 3.395 0.065 1
1 367 . 9 1 1 A 44 44 VAL CA C 44 67.200 66.608 0.592 1
1 368 . 9 1 1 A 44 44 VAL CB C 44 31.500 31.468 0.032 1
1 371 . 9 1 1 A 44 44 VAL N N 44 120.500 118.098 2.402 1
1 372 . 9 1 1 A 45 45 GLU H H 45 8.410 8.358 0.052 1
1 373 . 9 1 1 A 45 45 GLU HA H 45 4.060 3.906 0.154 1
1 378 . 9 1 1 A 45 45 GLU CA C 45 59.600 59.967 -0.367 1
1 379 . 9 1 1 A 45 45 GLU CB C 45 29.300 29.355 -0.055 1
1 381 . 9 1 1 A 45 45 GLU N N 45 118.400 118.447 -0.047 1
1 382 . 9 1 1 A 46 46 GLU H H 46 8.390 8.032 0.358 1
1 383 . 9 1 1 A 46 46 GLU HA H 46 4.200 4.107 0.093 1
1 388 . 9 1 1 A 46 46 GLU CA C 46 58.900 58.971 -0.071 1
1 389 . 9 1 1 A 46 46 GLU CB C 46 29.300 29.269 0.031 1
1 391 . 9 1 1 A 46 46 GLU N N 46 118.800 120.745 -1.945 1
1 392 . 9 1 1 A 47 47 ASN H H 47 7.700 8.039 -0.339 1
1 393 . 9 1 1 A 47 47 ASN HA H 47 4.900 4.690 0.210 1
1 398 . 9 1 1 A 47 47 ASN CA C 47 57.100 56.035 1.065 1
1 399 . 9 1 1 A 47 47 ASN CB C 47 39.000 38.199 0.801 1
1 400 . 9 1 1 A 47 47 ASN N N 47 118.000 118.638 -0.638 1
1 402 . 9 1 1 A 48 48 ASP H H 48 8.810 8.636 0.174 1
1 403 . 9 1 1 A 48 48 ASP HA H 48 4.520 4.349 0.171 1
1 406 . 9 1 1 A 48 48 ASP CA C 48 57.800 57.634 0.166 1
1 407 . 9 1 1 A 48 48 ASP CB C 48 41.700 41.839 -0.139 1
1 408 . 9 1 1 A 48 48 ASP N N 48 124.000 119.434 4.566 1
1 409 . 9 1 1 A 49 49 GLU H H 49 7.310 7.716 -0.406 1
1 410 . 9 1 1 A 49 49 GLU HA H 49 4.070 4.085 -0.015 1
1 415 . 9 1 1 A 49 49 GLU CA C 49 59.500 59.260 0.240 1
1 416 . 9 1 1 A 49 49 GLU CB C 49 29.300 29.601 -0.301 1
1 418 . 9 1 1 A 49 49 GLU N N 49 117.600 118.768 -1.168 1
1 419 . 9 1 1 A 50 50 LEU H H 50 7.590 8.289 -0.699 1
1 420 . 9 1 1 A 50 50 LEU HA H 50 4.160 4.172 -0.012 1
1 430 . 9 1 1 A 50 50 LEU CA C 50 58.000 58.147 -0.147 1
1 431 . 9 1 1 A 50 50 LEU CB C 50 41.800 41.646 0.154 1
1 435 . 9 1 1 A 50 50 LEU N N 50 119.500 122.032 -2.532 1
1 436 . 9 1 1 A 51 51 ALA H H 51 8.620 8.905 -0.285 1
1 437 . 9 1 1 A 51 51 ALA HA H 51 4.210 3.963 0.247 1
1 441 . 9 1 1 A 51 51 ALA CA C 51 54.900 55.298 -0.398 1
1 442 . 9 1 1 A 51 51 ALA CB C 51 18.600 18.058 0.542 1
1 443 . 9 1 1 A 51 51 ALA N N 51 118.900 121.034 -2.134 1
1 444 . 9 1 1 A 52 52 ALA H H 52 8.410 7.806 0.604 1
1 445 . 9 1 1 A 52 52 ALA HA H 52 4.210 4.100 0.110 1
1 449 . 9 1 1 A 52 52 ALA CA C 52 55.100 55.121 -0.021 1
1 450 . 9 1 1 A 52 52 ALA CB C 52 18.400 17.966 0.434 1
1 451 . 9 1 1 A 52 52 ALA N N 52 119.400 120.861 -1.461 1
1 452 . 9 1 1 A 53 53 ARG H H 53 8.070 8.091 -0.021 1
1 453 . 9 1 1 A 53 53 ARG HA H 53 4.130 4.094 0.036 1
1 460 . 9 1 1 A 53 53 ARG CA C 53 59.100 58.837 0.263 1
1 461 . 9 1 1 A 53 53 ARG CB C 53 30.900 30.064 0.836 1
1 464 . 9 1 1 A 53 53 ARG N N 53 119.500 119.870 -0.370 1
1 465 . 9 1 1 A 54 54 TRP H H 54 9.270 8.486 0.784 1
1 466 . 9 1 1 A 54 54 TRP HA H 54 3.830 4.259 -0.429 1
1 475 . 9 1 1 A 54 54 TRP CA C 54 62.400 61.338 1.062 1
1 476 . 9 1 1 A 54 54 TRP CB C 54 29.200 29.218 -0.018 1
1 482 . 9 1 1 A 54 54 TRP N N 54 124.000 121.936 2.064 1
1 484 . 9 1 1 A 55 55 ALA H H 55 8.810 8.479 0.331 1
1 485 . 9 1 1 A 55 55 ALA HA H 55 3.220 3.831 -0.611 1
1 489 . 9 1 1 A 55 55 ALA CA C 55 55.100 55.315 -0.215 1
1 490 . 9 1 1 A 55 55 ALA CB C 55 17.500 17.952 -0.452 1
1 491 . 9 1 1 A 55 55 ALA N N 55 120.800 121.442 -0.642 1
1 492 . 9 1 1 A 56 56 GLU H H 56 7.460 8.200 -0.740 1
1 493 . 9 1 1 A 56 56 GLU HA H 56 3.880 4.080 -0.200 1
1 498 . 9 1 1 A 56 56 GLU CA C 56 59.200 59.436 -0.236 1
1 499 . 9 1 1 A 56 56 GLU CB C 56 29.500 28.980 0.520 1
1 501 . 9 1 1 A 56 56 GLU N N 56 114.800 117.936 -3.136 1
1 502 . 9 1 1 A 57 57 GLY H H 57 7.650 8.288 -0.638 1
1 503 . 9 1 1 A 57 57 GLY HA2 H 57 3.490 3.751 -0.261 1
1 504 . 9 1 1 A 57 57 GLY HA3 H 57 3.850 3.782 0.068 1
1 505 . 9 1 1 A 57 57 GLY CA C 57 47.100 46.933 0.167 1
1 506 . 9 1 1 A 57 57 GLY N N 57 106.000 109.202 -3.202 1
1 507 . 9 1 1 A 58 58 ALA H H 58 8.950 8.068 0.882 1
1 508 . 9 1 1 A 58 58 ALA HA H 58 3.640 3.700 -0.060 1
1 512 . 9 1 1 A 58 58 ALA CA C 58 54.500 54.363 0.137 1
1 513 . 9 1 1 A 58 58 ALA CB C 58 16.700 18.250 -1.550 1
1 514 . 9 1 1 A 58 58 ALA N N 58 127.400 124.764 2.636 1
1 515 . 9 1 1 A 59 59 LEU H H 59 8.370 8.294 0.076 1
1 516 . 9 1 1 A 59 59 LEU HA H 59 3.920 3.819 0.101 1
1 526 . 9 1 1 A 59 59 LEU CA C 59 57.300 57.727 -0.427 1
1 527 . 9 1 1 A 59 59 LEU CB C 59 40.800 41.415 -0.615 1
1 531 . 9 1 1 A 59 59 LEU N N 59 116.800 119.046 -2.246 1
1 532 . 9 1 1 A 60 60 GLU H H 60 7.310 7.714 -0.404 1
1 533 . 9 1 1 A 60 60 GLU HA H 60 4.030 4.067 -0.037 1
1 538 . 9 1 1 A 60 60 GLU CA C 60 58.800 59.020 -0.220 1
1 539 . 9 1 1 A 60 60 GLU CB C 60 28.900 29.346 -0.446 1
1 541 . 9 1 1 A 60 60 GLU N N 60 119.000 120.834 -1.834 1
1 542 . 9 1 1 A 61 61 LEU H H 61 7.700 7.885 -0.185 1
1 543 . 9 1 1 A 61 61 LEU HA H 61 4.000 3.978 0.022 1
1 553 . 9 1 1 A 61 61 LEU CA C 61 58.100 58.372 -0.272 1
1 554 . 9 1 1 A 61 61 LEU CB C 61 41.400 41.669 -0.269 1
1 558 . 9 1 1 A 61 61 LEU N N 61 120.800 120.755 0.045 1
1 559 . 9 1 1 A 62 62 ILE H H 62 7.510 7.893 -0.383 1
1 560 . 9 1 1 A 62 62 ILE HA H 62 4.040 3.915 0.125 1
1 570 . 9 1 1 A 62 62 ILE CA C 62 63.200 64.041 -0.841 1
1 571 . 9 1 1 A 62 62 ILE CB C 62 37.200 37.385 -0.185 1
1 575 . 9 1 1 A 62 62 ILE N N 62 110.700 115.011 -4.311 1
1 576 . 9 1 1 A 63 63 LYS H H 63 7.520 7.501 0.019 1
1 577 . 9 1 1 A 63 63 LYS HA H 63 4.070 4.023 0.047 1
1 586 . 9 1 1 A 63 63 LYS CA C 63 58.600 59.028 -0.428 1
1 587 . 9 1 1 A 63 63 LYS CB C 63 32.800 32.497 0.303 1
1 590 . 9 1 1 A 63 63 LYS N N 63 121.100 121.171 -0.071 1
1 591 . 9 1 1 A 64 64 VAL H H 64 7.630 8.059 -0.429 1
1 592 . 9 1 1 A 64 64 VAL HA H 64 3.950 3.721 0.229 1
1 600 . 9 1 1 A 64 64 VAL CA C 64 63.900 66.031 -2.131 1
1 601 . 9 1 1 A 64 64 VAL CB C 64 32.400 31.830 0.570 1
1 604 . 9 1 1 A 64 64 VAL N N 64 115.200 119.205 -4.005 1
1 605 . 9 1 1 A 65 65 ARG H H 65 7.980 8.105 -0.125 1
1 606 . 9 1 1 A 65 65 ARG HA H 65 4.390 4.434 -0.044 1
1 613 . 9 1 1 A 65 65 ARG CA C 65 55.200 57.211 -2.011 1
1 614 . 9 1 1 A 65 65 ARG CB C 65 31.500 31.304 0.196 1
1 617 . 9 1 1 A 65 65 ARG N N 65 118.300 120.992 -2.692 1
1 618 . 9 1 1 A 66 66 ARG HA H 66 4.340 4.772 -0.432 1
1 621 . 9 1 1 A 66 66 ARG CA C 66 54.900 52.846 2.054 1
1 622 . 9 1 1 A 66 66 ARG CB C 66 29.200 33.261 -4.061 1
1 629 . 9 1 1 A 68 68 LYS HA H 68 4.100 4.187 -0.087 1
1 638 . 9 1 1 A 68 68 LYS CA C 68 57.900 58.275 -0.375 1
1 639 . 9 1 1 A 68 68 LYS CB C 68 34.100 33.311 0.789 1
1 643 . 9 1 1 A 69 69 TYR HA H 69 4.760 4.505 0.255 1
1 650 . 9 1 1 A 69 69 TYR CA C 69 57.800 59.423 -1.623 1
1 651 . 9 1 1 A 69 69 TYR CB C 69 39.600 39.959 -0.359 1
1 654 . 9 1 1 A 70 70 VAL H H 70 6.950 7.765 -0.815 1
1 655 . 9 1 1 A 70 70 VAL HA H 70 4.720 4.055 0.665 1
1 663 . 9 1 1 A 70 70 VAL CA C 70 60.000 62.396 -2.396 1
1 664 . 9 1 1 A 70 70 VAL CB C 70 34.500 32.339 2.161 1
1 667 . 9 1 1 A 70 70 VAL N N 70 115.400 118.421 -3.021 1
1 668 . 9 1 1 A 71 71 HIS H H 71 7.870 8.740 -0.870 1
1 669 . 9 1 1 A 71 71 HIS HA H 71 4.910 5.012 -0.102 1
1 673 . 9 1 1 A 71 71 HIS CA C 71 54.100 54.727 -0.627 1
1 674 . 9 1 1 A 71 71 HIS CB C 71 33.700 33.522 0.178 1
1 676 . 9 1 1 A 71 71 HIS N N 71 120.600 124.238 -3.638 1
1 677 . 9 1 1 A 72 72 LYS H H 72 8.400 8.835 -0.435 1
1 678 . 9 1 1 A 72 72 LYS HA H 72 3.680 3.869 -0.189 1
1 687 . 9 1 1 A 72 72 LYS CA C 72 60.600 60.207 0.393 1
1 688 . 9 1 1 A 72 72 LYS CB C 72 32.800 32.085 0.715 1
1 692 . 9 1 1 A 73 73 GLU H H 73 9.680 8.496 1.184 1
1 693 . 9 1 1 A 73 73 GLU HA H 73 4.170 4.042 0.128 1
1 698 . 9 1 1 A 73 73 GLU CA C 73 60.000 59.495 0.505 1
1 699 . 9 1 1 A 73 73 GLU CB C 73 28.300 29.592 -1.292 1
1 701 . 9 1 1 A 73 73 GLU N N 73 117.300 118.675 -1.375 1
1 702 . 9 1 1 A 74 74 GLN H H 74 7.360 7.954 -0.594 1
1 703 . 9 1 1 A 74 74 GLN HA H 74 4.180 4.122 0.058 1
1 710 . 9 1 1 A 74 74 GLN CA C 74 58.300 58.716 -0.416 1
1 711 . 9 1 1 A 74 74 GLN CB C 74 28.300 28.543 -0.243 1
1 713 . 9 1 1 A 74 74 GLN N N 74 117.700 118.398 -0.698 1
1 715 . 9 1 1 A 75 75 ILE H H 75 7.530 8.051 -0.521 1
1 716 . 9 1 1 A 75 75 ILE HA H 75 3.780 3.769 0.011 1
1 726 . 9 1 1 A 75 75 ILE CA C 75 64.100 65.741 -1.641 1
1 727 . 9 1 1 A 75 75 ILE CB C 75 36.800 37.745 -0.945 1
1 731 . 9 1 1 A 75 75 ILE N N 75 120.600 121.172 -0.572 1
1 732 . 9 1 1 A 76 76 GLU H H 76 8.340 7.760 0.580 1
1 733 . 9 1 1 A 76 76 GLU HA H 76 3.970 4.125 -0.155 1
1 738 . 9 1 1 A 76 76 GLU CA C 76 59.200 59.410 -0.210 1
1 739 . 9 1 1 A 76 76 GLU CB C 76 29.700 28.482 1.218 1
1 741 . 9 1 1 A 76 76 GLU N N 76 117.500 120.299 -2.799 1
1 742 . 9 1 1 A 77 77 ALA H H 77 7.390 7.738 -0.348 1
1 743 . 9 1 1 A 77 77 ALA HA H 77 4.370 4.100 0.270 1
1 747 . 9 1 1 A 77 77 ALA CA C 77 53.400 55.148 -1.748 1
1 748 . 9 1 1 A 77 77 ALA CB C 77 18.800 18.392 0.408 1
1 749 . 9 1 1 A 77 77 ALA N N 77 118.600 123.577 -4.977 1
1 750 . 9 1 1 A 78 78 VAL H H 78 7.620 8.579 -0.959 1
1 751 . 9 1 1 A 78 78 VAL HA H 78 3.720 3.431 0.289 1
1 759 . 9 1 1 A 78 78 VAL CA C 78 66.700 66.964 -0.264 1
1 760 . 9 1 1 A 78 78 VAL CB C 78 31.500 31.485 0.015 1
1 763 . 9 1 1 A 78 78 VAL N N 78 116.800 118.752 -1.952 1
1 764 . 9 1 1 A 79 79 LYS H H 79 8.570 8.088 0.482 1
1 765 . 9 1 1 A 79 79 LYS HA H 79 3.780 4.043 -0.263 1
1 774 . 9 1 1 A 79 79 LYS CA C 79 61.800 59.900 1.900 1
1 775 . 9 1 1 A 79 79 LYS CB C 79 31.500 32.590 -1.090 1
1 779 . 9 1 1 A 79 79 LYS N N 79 119.500 120.343 -0.843 1
1 780 . 9 1 1 A 80 80 ASP H H 80 8.350 7.882 0.468 1
1 781 . 9 1 1 A 80 80 ASP HA H 80 4.490 4.432 0.058 1
1 784 . 9 1 1 A 80 80 ASP CA C 80 57.300 57.046 0.254 1
1 785 . 9 1 1 A 80 80 ASP CB C 80 40.000 40.471 -0.471 1
1 786 . 9 1 1 A 80 80 ASP N N 80 115.500 120.026 -4.526 1
1 787 . 9 1 1 A 81 81 ASN H H 81 7.690 8.452 -0.762 1
1 788 . 9 1 1 A 81 81 ASN HA H 81 4.540 4.498 0.042 1
1 793 . 9 1 1 A 81 81 ASN CA C 81 55.500 56.306 -0.806 1
1 794 . 9 1 1 A 81 81 ASN CB C 81 38.600 37.898 0.702 1
1 795 . 9 1 1 A 81 81 ASN N N 81 118.300 118.031 0.269 1
1 797 . 9 1 1 A 82 82 PHE H H 82 9.620 8.431 1.189 1
1 798 . 9 1 1 A 82 82 PHE HA H 82 4.060 4.069 -0.009 1
1 806 . 9 1 1 A 82 82 PHE CA C 82 60.900 61.050 -0.150 1
1 807 . 9 1 1 A 82 82 PHE CB C 82 39.500 39.365 0.135 1
1 811 . 9 1 1 A 82 82 PHE N N 82 121.400 122.902 -1.502 1
1 812 . 9 1 1 A 83 83 LEU H H 83 8.210 7.912 0.298 1
1 813 . 9 1 1 A 83 83 LEU HA H 83 3.900 3.829 0.071 1
1 823 . 9 1 1 A 83 83 LEU CA C 83 57.000 58.119 -1.119 1
1 824 . 9 1 1 A 83 83 LEU CB C 83 40.400 41.264 -0.864 1
1 828 . 9 1 1 A 83 83 LEU N N 83 117.400 119.317 -1.917 1
1 829 . 9 1 1 A 84 84 GLU H H 84 7.660 7.753 -0.093 1
1 830 . 9 1 1 A 84 84 GLU HA H 84 4.150 4.060 0.090 1
1 835 . 9 1 1 A 84 84 GLU CA C 84 59.500 59.227 0.273 1
1 836 . 9 1 1 A 84 84 GLU CB C 84 28.700 29.447 -0.747 1
1 838 . 9 1 1 A 84 84 GLU N N 84 121.500 117.328 4.172 1
1 839 . 9 1 1 A 85 85 LEU H H 85 8.100 8.150 -0.050 1
1 840 . 9 1 1 A 85 85 LEU HA H 85 3.600 4.008 -0.408 1
1 850 . 9 1 1 A 85 85 LEU CA C 85 59.300 58.216 1.084 1
1 851 . 9 1 1 A 85 85 LEU CB C 85 41.800 41.459 0.341 1
1 855 . 9 1 1 A 85 85 LEU N N 85 121.700 122.178 -0.478 1
1 856 . 9 1 1 A 86 86 VAL H H 86 8.220 7.841 0.379 1
1 857 . 9 1 1 A 86 86 VAL HA H 86 3.100 3.262 -0.162 1
1 865 . 9 1 1 A 86 86 VAL CA C 86 67.200 66.678 0.522 1
1 866 . 9 1 1 A 86 86 VAL CB C 86 31.500 31.217 0.283 1
1 869 . 9 1 1 A 86 86 VAL N N 86 118.400 118.945 -0.545 1
1 870 . 9 1 1 A 87 87 LEU H H 87 8.450 8.003 0.447 1
1 871 . 9 1 1 A 87 87 LEU HA H 87 3.960 4.008 -0.048 1
1 881 . 9 1 1 A 87 87 LEU CA C 87 59.100 58.576 0.524 1
1 882 . 9 1 1 A 87 87 LEU CB C 87 42.300 41.714 0.586 1
1 886 . 9 1 1 A 87 87 LEU N N 87 120.200 120.014 0.186 1
1 887 . 9 1 1 A 88 88 GLN H H 88 9.350 8.696 0.654 1
1 888 . 9 1 1 A 88 88 GLN HA H 88 4.180 4.113 0.067 1
1 895 . 9 1 1 A 88 88 GLN CA C 88 57.300 57.853 -0.553 1
1 896 . 9 1 1 A 88 88 GLN CB C 88 25.400 27.359 -1.959 1
1 898 . 9 1 1 A 88 88 GLN N N 88 114.900 117.379 -2.479 1
1 900 . 9 1 1 A 89 89 SER H H 89 8.680 7.472 1.208 1
1 901 . 9 1 1 A 89 89 SER HA H 89 4.080 3.660 0.420 1
1 904 . 9 1 1 A 89 89 SER CA C 89 61.900 60.927 0.973 1
1 905 . 9 1 1 A 89 89 SER CB C 89 62.200 62.452 -0.252 1
1 906 . 9 1 1 A 89 89 SER N N 89 117.500 115.745 1.755 1
1 907 . 9 1 1 A 90 90 TYR H H 90 7.330 6.906 0.424 1
1 908 . 9 1 1 A 90 90 TYR HA H 90 4.320 3.858 0.462 1
1 915 . 9 1 1 A 90 90 TYR CA C 90 59.700 60.131 -0.431 1
1 916 . 9 1 1 A 90 90 TYR CB C 90 41.400 38.398 3.002 1
1 919 . 9 1 1 A 90 90 TYR N N 90 116.000 119.206 -3.206 1
1 920 . 9 1 1 A 91 91 VAL H H 91 7.730 7.372 0.358 1
1 921 . 9 1 1 A 91 91 VAL HA H 91 4.010 3.950 0.060 1
1 929 . 9 1 1 A 91 91 VAL CA C 91 62.600 64.835 -2.235 1
1 930 . 9 1 1 A 91 91 VAL CB C 91 32.700 32.581 0.119 1
1 933 . 9 1 1 A 91 91 VAL N N 91 110.500 115.373 -4.873 1
1 934 . 9 1 1 A 92 92 HIS H H 92 8.600 7.565 1.035 1
1 935 . 9 1 1 A 92 92 HIS HA H 92 4.280 4.241 0.039 1
1 939 . 9 1 1 A 92 92 HIS CA C 92 56.000 56.636 -0.636 1
1 940 . 9 1 1 A 92 92 HIS CB C 92 29.200 26.829 2.371 1
1 942 . 9 1 1 A 92 92 HIS N N 92 114.500 115.942 -1.442 1
1 943 . 9 1 1 A 93 93 HIS H H 93 8.350 8.094 0.256 1
1 944 . 9 1 1 A 93 93 HIS HA H 93 4.780 4.338 0.442 1
1 948 . 9 1 1 A 93 93 HIS CA C 93 57.600 58.127 -0.527 1
1 949 . 9 1 1 A 93 93 HIS CB C 93 31.900 30.554 1.346 1
1 951 . 9 1 1 A 93 93 HIS N N 93 118.200 117.869 0.331 1
1 952 . 9 1 1 A 94 94 ILE H H 94 7.470 7.425 0.045 1
1 953 . 9 1 1 A 94 94 ILE HA H 94 4.370 4.414 -0.044 1
1 963 . 9 1 1 A 94 94 ILE CA C 94 60.900 58.731 2.169 1
1 964 . 9 1 1 A 94 94 ILE CB C 94 39.600 40.730 -1.130 1
1 968 . 9 1 1 A 94 94 ILE N N 94 111.400 114.991 -3.591 1
1 969 . 9 1 1 A 95 95 HIS H H 95 6.990 8.765 -1.775 1
1 970 . 9 1 1 A 96 96 LYS HA H 96 4.040 5.021 -0.981 1
1 977 . 9 1 1 A 97 97 LYS HA H 97 4.130 4.053 0.077 1
1 986 . 9 1 1 A 97 97 LYS CA C 97 59.400 59.678 -0.278 1
1 987 . 9 1 1 A 97 97 LYS CB C 97 32.000 32.428 -0.428 1
1 991 . 9 1 1 A 98 98 ARG H H 98 7.150 7.911 -0.761 1
1 992 . 9 1 1 A 98 98 ARG HA H 98 4.150 4.067 0.083 1
1 999 . 9 1 1 A 98 98 ARG CA C 98 57.900 59.544 -1.644 1
1 1000 . 9 1 1 A 98 98 ARG CB C 98 28.600 29.787 -1.187 1
1 1003 . 9 1 1 A 98 98 ARG N N 98 118.500 118.705 -0.205 1
1 1004 . 9 1 1 A 99 99 PHE H H 99 8.260 8.223 0.037 1
1 1005 . 9 1 1 A 99 99 PHE HA H 99 3.450 3.986 -0.536 1
1 1013 . 9 1 1 A 99 99 PHE CA C 99 62.700 61.120 1.580 1
1 1014 . 9 1 1 A 99 99 PHE CB C 99 39.200 38.977 0.223 1
1 1018 . 9 1 1 A 99 99 PHE N N 99 119.100 120.687 -1.587 1
1 1019 . 9 1 1 A 100 100 LYS H H 100 8.500 8.518 -0.018 1
1 1020 . 9 1 1 A 100 100 LYS HA H 100 3.980 3.811 0.169 1
1 1029 . 9 1 1 A 100 100 LYS CA C 100 59.300 60.023 -0.723 1
1 1030 . 9 1 1 A 100 100 LYS CB C 100 31.900 32.481 -0.581 1
1 1034 . 9 1 1 A 100 100 LYS N N 100 121.700 118.693 3.007 1
1 1035 . 9 1 1 A 101 101 ASP H H 101 8.150 8.437 -0.287 1
1 1036 . 9 1 1 A 101 101 ASP HA H 101 4.290 4.289 0.001 1
1 1039 . 9 1 1 A 101 101 ASP CA C 101 57.300 57.827 -0.527 1
1 1040 . 9 1 1 A 101 101 ASP CB C 101 39.900 41.622 -1.722 1
1 1041 . 9 1 1 A 101 101 ASP N N 101 119.800 119.681 0.119 1
1 1042 . 9 1 1 A 102 102 ILE H H 102 8.220 7.927 0.293 1
1 1043 . 9 1 1 A 102 102 ILE HA H 102 3.690 3.482 0.208 1
1 1053 . 9 1 1 A 102 102 ILE CA C 102 65.000 65.278 -0.278 1
1 1054 . 9 1 1 A 102 102 ILE CB C 102 37.700 37.704 -0.004 1
1 1058 . 9 1 1 A 102 102 ILE N N 102 118.800 118.549 0.251 1
1 1059 . 9 1 1 A 103 103 THR H H 103 7.930 8.196 -0.266 1
1 1060 . 9 1 1 A 103 103 THR HA H 103 3.480 3.636 -0.156 1
1 1066 . 9 1 1 A 103 103 THR CA C 103 67.300 66.923 0.377 1
1 1067 . 9 1 1 A 103 103 THR CB C 103 67.700 67.936 -0.236 1
1 1069 . 9 1 1 A 103 103 THR N N 103 117.900 116.447 1.453 1
1 1070 . 9 1 1 A 104 104 GLU H H 104 8.470 8.225 0.245 1
1 1071 . 9 1 1 A 104 104 GLU HA H 104 3.920 3.997 -0.077 1
1 1076 . 9 1 1 A 104 104 GLU CA C 104 59.500 59.486 0.014 1
1 1077 . 9 1 1 A 104 104 GLU CB C 104 29.200 29.242 -0.042 1
1 1079 . 9 1 1 A 104 104 GLU N N 104 118.900 121.952 -3.052 1
1 1080 . 9 1 1 A 105 105 SER H H 105 7.840 8.202 -0.362 1
1 1081 . 9 1 1 A 105 105 SER HA H 105 4.290 4.117 0.173 1
1 1084 . 9 1 1 A 105 105 SER CA C 105 60.900 62.703 -1.803 1
1 1085 . 9 1 1 A 105 105 SER CB C 105 62.700 62.999 -0.299 1
1 1086 . 9 1 1 A 105 105 SER N N 105 114.200 117.224 -3.024 1
1 1087 . 9 1 1 A 106 106 VAL H H 106 8.290 8.173 0.117 1
1 1088 . 9 1 1 A 106 106 VAL HA H 106 3.690 3.628 0.062 1
1 1096 . 9 1 1 A 106 106 VAL CA C 106 66.300 66.969 -0.669 1
1 1097 . 9 1 1 A 106 106 VAL CB C 106 31.900 31.720 0.180 1
1 1100 . 9 1 1 A 106 106 VAL N N 106 122.100 122.287 -0.187 1
1 1101 . 9 1 1 A 107 107 LEU H H 107 8.560 8.515 0.045 1
1 1102 . 9 1 1 A 107 107 LEU HA H 107 3.900 3.924 -0.024 1
1 1112 . 9 1 1 A 107 107 LEU CA C 107 58.300 58.175 0.125 1
1 1113 . 9 1 1 A 107 107 LEU CB C 107 41.200 41.529 -0.329 1
1 1117 . 9 1 1 A 107 107 LEU N N 107 117.500 118.414 -0.914 1
1 1118 . 9 1 1 A 108 108 TYR H H 108 8.450 8.850 -0.400 1
1 1119 . 9 1 1 A 108 108 TYR HA H 108 4.170 4.026 0.144 1
1 1126 . 9 1 1 A 108 108 TYR CA C 108 61.800 62.029 -0.229 1
1 1127 . 9 1 1 A 108 108 TYR CB C 108 37.900 38.583 -0.683 1
1 1130 . 9 1 1 A 108 108 TYR N N 108 119.000 119.530 -0.530 1
1 1131 . 9 1 1 A 109 109 THR H H 109 7.800 7.918 -0.118 1
1 1132 . 9 1 1 A 109 109 THR HA H 109 3.860 4.220 -0.360 1
1 1137 . 9 1 1 A 109 109 THR CA C 109 66.800 66.845 -0.045 1
1 1138 . 9 1 1 A 109 109 THR CB C 109 67.800 68.424 -0.624 1
1 1140 . 9 1 1 A 109 109 THR N N 109 116.500 114.864 1.636 1
1 1141 . 9 1 1 A 110 110 LEU H H 110 8.510 8.476 0.034 1
1 1142 . 9 1 1 A 110 110 LEU HA H 110 3.900 3.964 -0.064 1
1 1152 . 9 1 1 A 110 110 LEU CA C 110 58.500 57.833 0.667 1
1 1153 . 9 1 1 A 110 110 LEU CB C 110 41.300 41.785 -0.485 1
1 1157 . 9 1 1 A 110 110 LEU N N 110 121.000 121.373 -0.373 1
1 1158 . 9 1 1 A 111 111 HIS H H 111 8.440 8.463 -0.023 1
1 1159 . 9 1 1 A 111 111 HIS HA H 111 4.000 4.107 -0.107 1
1 1163 . 9 1 1 A 111 111 HIS CA C 111 60.900 60.161 0.739 1
1 1164 . 9 1 1 A 111 111 HIS CB C 111 29.700 29.098 0.602 1
1 1166 . 9 1 1 A 111 111 HIS N N 111 116.300 117.615 -1.315 1
1 1167 . 9 1 1 A 112 112 ALA H H 112 7.920 7.947 -0.027 1
1 1168 . 9 1 1 A 112 112 ALA HA H 112 4.130 3.482 0.648 1
1 1172 . 9 1 1 A 112 112 ALA CA C 112 55.000 54.997 0.003 1
1 1173 . 9 1 1 A 112 112 ALA CB C 112 17.600 18.228 -0.628 1
1 1174 . 9 1 1 A 112 112 ALA N N 112 122.900 122.087 0.813 1
1 1175 . 9 1 1 A 113 113 VAL H H 113 8.300 8.115 0.185 1
1 1176 . 9 1 1 A 113 113 VAL HA H 113 3.540 3.458 0.082 1
1 1184 . 9 1 1 A 113 113 VAL CA C 113 67.200 66.519 0.681 1
1 1185 . 9 1 1 A 113 113 VAL CB C 113 31.000 31.600 -0.600 1
1 1188 . 9 1 1 A 113 113 VAL N N 113 119.000 118.602 0.398 1
1 1189 . 9 1 1 A 114 114 LYS H H 114 8.220 8.206 0.014 1
1 1190 . 9 1 1 A 114 114 LYS HA H 114 3.810 3.965 -0.155 1
1 1199 . 9 1 1 A 114 114 LYS CA C 114 60.800 59.949 0.851 1
1 1200 . 9 1 1 A 114 114 LYS CB C 114 31.500 31.865 -0.365 1
1 1204 . 9 1 1 A 114 114 LYS N N 114 120.600 120.610 -0.010 1
1 1205 . 9 1 1 A 115 115 ASP H H 115 8.180 8.375 -0.195 1
1 1206 . 9 1 1 A 115 115 ASP HA H 115 4.300 4.267 0.033 1
1 1209 . 9 1 1 A 115 115 ASP CA C 115 56.800 57.691 -0.891 1
1 1210 . 9 1 1 A 115 115 ASP CB C 115 39.600 41.705 -2.105 1
1 1211 . 9 1 1 A 115 115 ASP N N 115 118.800 119.350 -0.550 1
1 1212 . 9 1 1 A 116 116 GLU H H 116 7.990 8.069 -0.079 1
1 1213 . 9 1 1 A 116 116 GLU HA H 116 4.060 4.249 -0.189 1
1 1218 . 9 1 1 A 116 116 GLU CA C 116 58.400 59.228 -0.828 1
1 1219 . 9 1 1 A 116 116 GLU CB C 116 29.000 28.845 0.155 1
1 1221 . 9 1 1 A 116 116 GLU N N 116 120.800 117.219 3.581 1
1 1222 . 9 1 1 A 117 117 ILE H H 117 8.370 7.805 0.565 1
1 1223 . 9 1 1 A 117 117 ILE HA H 117 3.610 3.632 -0.022 1
1 1233 . 9 1 1 A 117 117 ILE CA C 117 64.800 65.783 -0.983 1
1 1234 . 9 1 1 A 117 117 ILE CB C 117 38.600 38.958 -0.358 1
1 1238 . 9 1 1 A 117 117 ILE N N 117 119.700 121.711 -2.011 1
1 1239 . 9 1 1 A 118 118 ALA H H 118 7.720 8.428 -0.708 1
1 1240 . 9 1 1 A 118 118 ALA HA H 118 4.250 4.128 0.122 1
1 1244 . 9 1 1 A 118 118 ALA CA C 118 52.900 54.989 -2.089 1
1 1245 . 9 1 1 A 118 118 ALA CB C 118 18.700 18.012 0.688 1
1 1246 . 9 1 1 A 118 118 ALA N N 118 119.900 121.728 -1.828 1
1 1247 . 9 1 1 A 119 119 ARG H H 119 7.450 8.371 -0.921 1
1 1248 . 9 1 1 A 119 119 ARG HA H 119 4.110 4.043 0.067 1
1 1255 . 9 1 1 A 119 119 ARG CA C 119 57.600 59.042 -1.442 1
1 1256 . 9 1 1 A 119 119 ARG CB C 119 31.000 29.886 1.114 1
1 1259 . 9 1 1 A 119 119 ARG N N 119 118.400 118.786 -0.386 1
1 1260 . 9 1 1 A 120 120 GLU H H 120 8.890 7.456 1.434 1
1 1261 . 9 1 1 A 120 120 GLU HA H 120 4.280 4.194 0.086 1
1 1266 . 9 1 1 A 120 120 GLU CA C 120 57.600 58.737 -1.137 1
1 1267 . 9 1 1 A 120 120 GLU CB C 120 30.100 31.009 -0.909 1
1 1269 . 9 1 1 A 120 120 GLU N N 120 114.900 118.785 -3.885 1
1 1 . 10 1 1 A 6 6 LEU HA H 6 4.230 4.446 -0.216 1
1 11 . 10 1 1 A 6 6 LEU CA C 6 58.000 55.768 2.232 1
1 12 . 10 1 1 A 6 6 LEU CB C 6 40.900 44.780 -3.880 1
1 16 . 10 1 1 A 7 7 LEU H H 7 8.970 8.043 0.927 1
1 17 . 10 1 1 A 7 7 LEU HA H 7 3.970 4.050 -0.080 1
1 27 . 10 1 1 A 7 7 LEU CA C 7 58.500 58.445 0.055 1
1 28 . 10 1 1 A 7 7 LEU CB C 7 41.000 41.796 -0.796 1
1 32 . 10 1 1 A 7 7 LEU N N 7 124.300 120.951 3.349 1
1 33 . 10 1 1 A 8 8 GLU H H 8 7.910 8.330 -0.420 1
1 34 . 10 1 1 A 8 8 GLU HA H 8 4.040 4.019 0.021 1
1 39 . 10 1 1 A 8 8 GLU CA C 8 59.500 59.653 -0.153 1
1 40 . 10 1 1 A 8 8 GLU CB C 8 29.200 29.084 0.116 1
1 42 . 10 1 1 A 8 8 GLU N N 8 119.000 119.323 -0.323 1
1 43 . 10 1 1 A 9 9 MET H H 9 8.520 7.643 0.877 1
1 44 . 10 1 1 A 9 9 MET HA H 9 4.030 4.197 -0.167 1
1 52 . 10 1 1 A 9 9 MET CA C 9 59.900 58.466 1.434 1
1 53 . 10 1 1 A 9 9 MET CB C 9 36.000 32.020 3.980 1
1 56 . 10 1 1 A 9 9 MET N N 9 117.500 119.973 -2.473 1
1 57 . 10 1 1 A 10 10 THR H H 10 8.470 7.603 0.867 1
1 58 . 10 1 1 A 10 10 THR HA H 10 3.550 4.051 -0.501 1
1 64 . 10 1 1 A 10 10 THR CA C 10 67.200 67.522 -0.322 1
1 65 . 10 1 1 A 10 10 THR CB C 10 68.500 68.366 0.134 1
1 67 . 10 1 1 A 10 10 THR N N 10 116.600 115.376 1.224 1
1 68 . 10 1 1 A 11 11 GLU H H 11 8.500 8.611 -0.111 1
1 69 . 10 1 1 A 11 11 GLU HA H 11 3.910 3.946 -0.036 1
1 74 . 10 1 1 A 11 11 GLU CA C 11 59.400 59.759 -0.359 1
1 75 . 10 1 1 A 11 11 GLU CB C 11 29.200 29.253 -0.053 1
1 77 . 10 1 1 A 11 11 GLU N N 11 119.400 118.762 0.638 1
1 78 . 10 1 1 A 12 12 GLN H H 12 8.140 8.284 -0.144 1
1 79 . 10 1 1 A 12 12 GLN HA H 12 4.100 4.072 0.028 1
1 86 . 10 1 1 A 12 12 GLN CA C 12 59.000 58.724 0.276 1
1 87 . 10 1 1 A 12 12 GLN CB C 12 27.800 28.497 -0.697 1
1 89 . 10 1 1 A 12 12 GLN N N 12 120.400 120.251 0.149 1
1 91 . 10 1 1 A 13 13 MET H H 13 8.120 7.813 0.307 1
1 92 . 10 1 1 A 13 13 MET HA H 13 3.710 4.089 -0.379 1
1 100 . 10 1 1 A 13 13 MET CA C 13 59.600 58.150 1.450 1
1 101 . 10 1 1 A 13 13 MET CB C 13 33.300 31.789 1.511 1
1 104 . 10 1 1 A 13 13 MET N N 13 118.500 118.692 -0.192 1
1 105 . 10 1 1 A 14 14 ILE H H 14 8.040 8.118 -0.078 1
1 106 . 10 1 1 A 14 14 ILE HA H 14 3.270 3.513 -0.243 1
1 116 . 10 1 1 A 14 14 ILE CA C 14 65.700 65.184 0.516 1
1 117 . 10 1 1 A 14 14 ILE CB C 14 38.000 37.975 0.025 1
1 121 . 10 1 1 A 14 14 ILE N N 14 119.400 119.630 -0.230 1
1 122 . 10 1 1 A 15 15 GLU H H 15 7.700 8.266 -0.566 1
1 123 . 10 1 1 A 15 15 GLU HA H 15 4.110 4.006 0.104 1
1 128 . 10 1 1 A 15 15 GLU CA C 15 59.300 59.312 -0.012 1
1 129 . 10 1 1 A 15 15 GLU CB C 15 29.200 29.595 -0.395 1
1 131 . 10 1 1 A 15 15 GLU N N 15 119.000 120.842 -1.842 1
1 132 . 10 1 1 A 16 16 VAL H H 16 8.410 8.220 0.190 1
1 133 . 10 1 1 A 16 16 VAL HA H 16 3.530 3.672 -0.142 1
1 141 . 10 1 1 A 16 16 VAL CA C 16 66.600 66.383 0.217 1
1 142 . 10 1 1 A 16 16 VAL CB C 16 31.900 31.688 0.212 1
1 145 . 10 1 1 A 16 16 VAL N N 16 119.500 119.831 -0.331 1
1 146 . 10 1 1 A 17 17 ALA H H 17 8.600 8.142 0.458 1
1 147 . 10 1 1 A 17 17 ALA HA H 17 4.080 3.960 0.120 1
1 151 . 10 1 1 A 17 17 ALA CA C 17 54.700 55.714 -1.014 1
1 152 . 10 1 1 A 17 17 ALA CB C 17 17.700 17.918 -0.218 1
1 153 . 10 1 1 A 17 17 ALA N N 17 123.100 122.076 1.024 1
1 154 . 10 1 1 A 18 18 GLU H H 18 8.850 8.313 0.537 1
1 155 . 10 1 1 A 18 18 GLU HA H 18 3.990 4.015 -0.025 1
1 160 . 10 1 1 A 18 18 GLU CA C 18 59.500 59.335 0.165 1
1 161 . 10 1 1 A 18 18 GLU CB C 18 29.700 29.357 0.343 1
1 163 . 10 1 1 A 18 18 GLU N N 18 117.900 118.113 -0.213 1
1 164 . 10 1 1 A 19 19 LYS H H 19 8.750 8.555 0.195 1
1 165 . 10 1 1 A 19 19 LYS HA H 19 4.150 4.169 -0.019 1
1 174 . 10 1 1 A 19 19 LYS CA C 19 58.700 58.222 0.478 1
1 175 . 10 1 1 A 19 19 LYS CB C 19 31.900 32.216 -0.316 1
1 179 . 10 1 1 A 19 19 LYS N N 19 119.200 119.912 -0.712 1
1 180 . 10 1 1 A 20 20 GLY H H 20 8.640 8.580 0.060 1
1 181 . 10 1 1 A 20 20 GLY HA2 H 20 3.790 3.807 -0.017 1
1 182 . 10 1 1 A 20 20 GLY HA3 H 20 3.500 3.817 -0.317 1
1 183 . 10 1 1 A 20 20 GLY CA C 20 46.400 47.181 -0.781 1
1 184 . 10 1 1 A 20 20 GLY N N 20 110.300 107.900 2.400 1
1 185 . 10 1 1 A 21 21 ALA H H 21 8.550 8.007 0.543 1
1 186 . 10 1 1 A 21 21 ALA HA H 21 4.490 4.242 0.248 1
1 190 . 10 1 1 A 21 21 ALA CA C 21 55.100 54.706 0.394 1
1 191 . 10 1 1 A 21 21 ALA CB C 21 17.300 18.634 -1.334 1
1 192 . 10 1 1 A 21 21 ALA N N 21 125.300 124.888 0.412 1
1 193 . 10 1 1 A 22 22 ASP H H 22 7.660 8.466 -0.806 1
1 194 . 10 1 1 A 22 22 ASP HA H 22 4.460 4.405 0.055 1
1 197 . 10 1 1 A 22 22 ASP CA C 22 56.900 57.792 -0.892 1
1 198 . 10 1 1 A 22 22 ASP CB C 22 40.500 42.147 -1.647 1
1 199 . 10 1 1 A 22 22 ASP N N 22 119.000 118.450 0.550 1
1 200 . 10 1 1 A 23 23 ARG H H 23 8.110 8.238 -0.128 1
1 201 . 10 1 1 A 23 23 ARG HA H 23 4.000 3.983 0.017 1
1 208 . 10 1 1 A 23 23 ARG CA C 23 59.200 59.011 0.189 1
1 209 . 10 1 1 A 23 23 ARG CB C 23 30.700 29.835 0.865 1
1 212 . 10 1 1 A 23 23 ARG N N 23 121.800 120.137 1.663 1
1 213 . 10 1 1 A 24 24 TYR H H 24 8.460 8.006 0.454 1
1 214 . 10 1 1 A 24 24 TYR HA H 24 3.780 4.115 -0.335 1
1 221 . 10 1 1 A 24 24 TYR CA C 24 60.900 61.553 -0.653 1
1 222 . 10 1 1 A 24 24 TYR CB C 24 39.400 38.812 0.588 1
1 225 . 10 1 1 A 24 24 TYR N N 24 120.400 120.699 -0.299 1
1 226 . 10 1 1 A 25 25 GLN H H 25 7.540 8.538 -0.998 1
1 227 . 10 1 1 A 25 25 GLN HA H 25 3.750 3.737 0.013 1
1 232 . 10 1 1 A 25 25 GLN CA C 25 57.800 59.161 -1.361 1
1 233 . 10 1 1 A 25 25 GLN CB C 25 28.400 28.300 0.100 1
1 235 . 10 1 1 A 25 25 GLN N N 25 117.500 118.653 -1.153 1
1 236 . 10 1 1 A 26 26 GLU H H 26 7.980 7.809 0.171 1
1 237 . 10 1 1 A 26 26 GLU HA H 26 4.010 4.274 -0.264 1
1 242 . 10 1 1 A 26 26 GLU CA C 26 57.900 56.687 1.213 1
1 243 . 10 1 1 A 26 26 GLU CB C 26 29.700 29.921 -0.221 1
1 245 . 10 1 1 A 26 26 GLU N N 26 117.900 116.483 1.417 1
1 246 . 10 1 1 A 32 32 HIS HA H 32 4.620 4.754 -0.134 1
1 249 . 10 1 1 A 32 32 HIS CA C 32 56.900 55.324 1.576 1
1 250 . 10 1 1 A 32 32 HIS CB C 32 64.000 32.795 31.205 1
1 251 . 10 1 1 A 33 33 SER HA H 33 4.610 4.190 0.420 1
1 254 . 10 1 1 A 33 33 SER CA C 33 56.900 60.578 -3.678 1
1 255 . 10 1 1 A 33 33 SER CB C 33 64.000 61.818 2.182 1
1 256 . 10 1 1 A 34 34 TYR HA H 34 4.630 3.998 0.632 1
1 263 . 10 1 1 A 34 34 TYR CA C 34 56.900 58.583 -1.683 1
1 264 . 10 1 1 A 34 34 TYR CB C 34 40.700 35.683 5.017 1
1 267 . 10 1 1 A 36 36 PHE HA H 36 3.910 3.955 -0.045 1
1 275 . 10 1 1 A 36 36 PHE CA C 36 62.000 61.919 0.081 1
1 276 . 10 1 1 A 36 36 PHE CB C 36 39.200 39.810 -0.610 1
1 280 . 10 1 1 A 37 37 PHE H H 37 8.090 8.475 -0.385 1
1 281 . 10 1 1 A 37 37 PHE HA H 37 3.980 4.254 -0.274 1
1 289 . 10 1 1 A 37 37 PHE CA C 37 61.600 62.568 -0.968 1
1 290 . 10 1 1 A 37 37 PHE CB C 37 38.600 38.324 0.276 1
1 294 . 10 1 1 A 37 37 PHE N N 37 116.200 115.698 0.502 1
1 295 . 10 1 1 A 38 38 GLU H H 38 9.000 8.389 0.611 1
1 296 . 10 1 1 A 38 38 GLU HA H 38 4.130 4.153 -0.023 1
1 301 . 10 1 1 A 38 38 GLU CA C 38 57.700 58.593 -0.893 1
1 302 . 10 1 1 A 38 38 GLU CB C 38 30.600 29.979 0.621 1
1 304 . 10 1 1 A 38 38 GLU N N 38 116.000 120.653 -4.653 1
1 305 . 10 1 1 A 39 39 THR H H 39 7.390 7.121 0.269 1
1 306 . 10 1 1 A 39 39 THR HA H 39 4.280 4.150 0.130 1
1 311 . 10 1 1 A 39 39 THR CA C 39 64.100 64.002 0.098 1
1 312 . 10 1 1 A 39 39 THR CB C 39 70.000 69.815 0.185 1
1 314 . 10 1 1 A 39 39 THR N N 39 110.400 111.179 -0.779 1
1 315 . 10 1 1 A 40 40 ILE H H 40 7.250 7.591 -0.341 1
1 316 . 10 1 1 A 40 40 ILE HA H 40 2.570 4.056 -1.486 1
1 326 . 10 1 1 A 40 40 ILE CA C 40 65.800 60.669 5.131 1
1 327 . 10 1 1 A 40 40 ILE CB C 40 37.300 34.746 2.554 1
1 331 . 10 1 1 A 40 40 ILE N N 40 120.900 118.954 1.946 1
1 332 . 10 1 1 A 41 41 LYS H H 41 8.400 8.203 0.197 1
1 333 . 10 1 1 A 41 41 LYS HA H 41 3.650 4.510 -0.860 1
1 336 . 10 1 1 A 41 41 LYS CA C 41 59.000 57.617 1.383 1
1 337 . 10 1 1 A 41 41 LYS CB C 41 29.700 34.478 -4.778 1
1 338 . 10 1 1 A 41 41 LYS N N 41 118.800 125.472 -6.672 1
1 339 . 10 1 1 A 42 42 PRO HA H 42 4.280 4.272 0.008 1
1 346 . 10 1 1 A 42 42 PRO CA C 42 65.300 66.284 -0.984 1
1 347 . 10 1 1 A 42 42 PRO CB C 42 30.200 30.626 -0.426 1
1 350 . 10 1 1 A 43 43 ALA H H 43 6.790 7.500 -0.710 1
1 351 . 10 1 1 A 43 43 ALA HA H 43 4.190 4.099 0.091 1
1 355 . 10 1 1 A 43 43 ALA CA C 43 54.900 55.083 -0.183 1
1 356 . 10 1 1 A 43 43 ALA CB C 43 18.000 18.335 -0.335 1
1 357 . 10 1 1 A 43 43 ALA N N 43 119.500 119.050 0.450 1
1 358 . 10 1 1 A 44 44 VAL H H 44 8.380 7.900 0.480 1
1 359 . 10 1 1 A 44 44 VAL HA H 44 3.460 3.396 0.064 1
1 367 . 10 1 1 A 44 44 VAL CA C 44 67.200 66.995 0.205 1
1 368 . 10 1 1 A 44 44 VAL CB C 44 31.500 31.295 0.205 1
1 371 . 10 1 1 A 44 44 VAL N N 44 120.500 118.552 1.948 1
1 372 . 10 1 1 A 45 45 GLU H H 45 8.410 8.440 -0.030 1
1 373 . 10 1 1 A 45 45 GLU HA H 45 4.060 3.948 0.112 1
1 378 . 10 1 1 A 45 45 GLU CA C 45 59.600 60.091 -0.491 1
1 379 . 10 1 1 A 45 45 GLU CB C 45 29.300 29.366 -0.066 1
1 381 . 10 1 1 A 45 45 GLU N N 45 118.400 118.711 -0.311 1
1 382 . 10 1 1 A 46 46 GLU H H 46 8.390 7.473 0.917 1
1 383 . 10 1 1 A 46 46 GLU HA H 46 4.200 4.177 0.023 1
1 388 . 10 1 1 A 46 46 GLU CA C 46 58.900 59.254 -0.354 1
1 389 . 10 1 1 A 46 46 GLU CB C 46 29.300 29.657 -0.357 1
1 391 . 10 1 1 A 46 46 GLU N N 46 118.800 120.336 -1.536 1
1 392 . 10 1 1 A 47 47 ASN H H 47 7.700 8.808 -1.108 1
1 393 . 10 1 1 A 47 47 ASN HA H 47 4.900 4.728 0.172 1
1 398 . 10 1 1 A 47 47 ASN CA C 47 57.100 56.665 0.435 1
1 399 . 10 1 1 A 47 47 ASN CB C 47 39.000 38.139 0.861 1
1 400 . 10 1 1 A 47 47 ASN N N 47 118.000 118.494 -0.494 1
1 402 . 10 1 1 A 48 48 ASP H H 48 8.810 8.831 -0.021 1
1 403 . 10 1 1 A 48 48 ASP HA H 48 4.520 4.344 0.176 1
1 406 . 10 1 1 A 48 48 ASP CA C 48 57.800 57.734 0.066 1
1 407 . 10 1 1 A 48 48 ASP CB C 48 41.700 42.087 -0.387 1
1 408 . 10 1 1 A 48 48 ASP N N 48 124.000 119.696 4.304 1
1 409 . 10 1 1 A 49 49 GLU H H 49 7.310 8.020 -0.710 1
1 410 . 10 1 1 A 49 49 GLU HA H 49 4.070 4.076 -0.006 1
1 415 . 10 1 1 A 49 49 GLU CA C 49 59.500 59.286 0.214 1
1 416 . 10 1 1 A 49 49 GLU CB C 49 29.300 29.415 -0.115 1
1 418 . 10 1 1 A 49 49 GLU N N 49 117.600 118.105 -0.505 1
1 419 . 10 1 1 A 50 50 LEU H H 50 7.590 8.552 -0.962 1
1 420 . 10 1 1 A 50 50 LEU HA H 50 4.160 4.204 -0.044 1
1 430 . 10 1 1 A 50 50 LEU CA C 50 58.000 58.149 -0.149 1
1 431 . 10 1 1 A 50 50 LEU CB C 50 41.800 41.705 0.095 1
1 435 . 10 1 1 A 50 50 LEU N N 50 119.500 121.793 -2.293 1
1 436 . 10 1 1 A 51 51 ALA H H 51 8.620 8.691 -0.071 1
1 437 . 10 1 1 A 51 51 ALA HA H 51 4.210 3.965 0.245 1
1 441 . 10 1 1 A 51 51 ALA CA C 51 54.900 55.463 -0.563 1
1 442 . 10 1 1 A 51 51 ALA CB C 51 18.600 17.930 0.670 1
1 443 . 10 1 1 A 51 51 ALA N N 51 118.900 120.827 -1.927 1
1 444 . 10 1 1 A 52 52 ALA H H 52 8.410 8.300 0.110 1
1 445 . 10 1 1 A 52 52 ALA HA H 52 4.210 4.105 0.105 1
1 449 . 10 1 1 A 52 52 ALA CA C 52 55.100 55.105 -0.005 1
1 450 . 10 1 1 A 52 52 ALA CB C 52 18.400 18.131 0.269 1
1 451 . 10 1 1 A 52 52 ALA N N 52 119.400 120.863 -1.463 1
1 452 . 10 1 1 A 53 53 ARG H H 53 8.070 7.953 0.117 1
1 453 . 10 1 1 A 53 53 ARG HA H 53 4.130 4.100 0.030 1
1 460 . 10 1 1 A 53 53 ARG CA C 53 59.100 58.850 0.250 1
1 461 . 10 1 1 A 53 53 ARG CB C 53 30.900 29.839 1.061 1
1 464 . 10 1 1 A 53 53 ARG N N 53 119.500 120.322 -0.822 1
1 465 . 10 1 1 A 54 54 TRP H H 54 9.270 8.492 0.778 1
1 466 . 10 1 1 A 54 54 TRP HA H 54 3.830 4.231 -0.401 1
1 475 . 10 1 1 A 54 54 TRP CA C 54 62.400 61.260 1.140 1
1 476 . 10 1 1 A 54 54 TRP CB C 54 29.200 29.111 0.089 1
1 482 . 10 1 1 A 54 54 TRP N N 54 124.000 122.048 1.952 1
1 484 . 10 1 1 A 55 55 ALA H H 55 8.810 8.241 0.569 1
1 485 . 10 1 1 A 55 55 ALA HA H 55 3.220 3.951 -0.731 1
1 489 . 10 1 1 A 55 55 ALA CA C 55 55.100 55.359 -0.259 1
1 490 . 10 1 1 A 55 55 ALA CB C 55 17.500 17.982 -0.482 1
1 491 . 10 1 1 A 55 55 ALA N N 55 120.800 121.590 -0.790 1
1 492 . 10 1 1 A 56 56 GLU H H 56 7.460 7.755 -0.295 1
1 493 . 10 1 1 A 56 56 GLU HA H 56 3.880 3.954 -0.074 1
1 498 . 10 1 1 A 56 56 GLU CA C 56 59.200 59.306 -0.106 1
1 499 . 10 1 1 A 56 56 GLU CB C 56 29.500 29.128 0.372 1
1 501 . 10 1 1 A 56 56 GLU N N 56 114.800 118.697 -3.897 1
1 502 . 10 1 1 A 57 57 GLY H H 57 7.650 8.408 -0.758 1
1 503 . 10 1 1 A 57 57 GLY HA2 H 57 3.490 3.706 -0.216 1
1 504 . 10 1 1 A 57 57 GLY HA3 H 57 3.850 3.769 0.081 1
1 505 . 10 1 1 A 57 57 GLY CA C 57 47.100 46.963 0.137 1
1 506 . 10 1 1 A 57 57 GLY N N 57 106.000 108.412 -2.412 1
1 507 . 10 1 1 A 58 58 ALA H H 58 8.950 7.754 1.196 1
1 508 . 10 1 1 A 58 58 ALA HA H 58 3.640 3.682 -0.042 1
1 512 . 10 1 1 A 58 58 ALA CA C 58 54.500 54.715 -0.215 1
1 513 . 10 1 1 A 58 58 ALA CB C 58 16.700 18.809 -2.109 1
1 514 . 10 1 1 A 58 58 ALA N N 58 127.400 124.957 2.443 1
1 515 . 10 1 1 A 59 59 LEU H H 59 8.370 8.290 0.080 1
1 516 . 10 1 1 A 59 59 LEU HA H 59 3.920 3.884 0.036 1
1 526 . 10 1 1 A 59 59 LEU CA C 59 57.300 57.601 -0.301 1
1 527 . 10 1 1 A 59 59 LEU CB C 59 40.800 41.098 -0.298 1
1 531 . 10 1 1 A 59 59 LEU N N 59 116.800 118.665 -1.865 1
1 532 . 10 1 1 A 60 60 GLU H H 60 7.310 8.406 -1.096 1
1 533 . 10 1 1 A 60 60 GLU HA H 60 4.030 3.977 0.053 1
1 538 . 10 1 1 A 60 60 GLU CA C 60 58.800 59.341 -0.541 1
1 539 . 10 1 1 A 60 60 GLU CB C 60 28.900 29.525 -0.625 1
1 541 . 10 1 1 A 60 60 GLU N N 60 119.000 120.362 -1.362 1
1 542 . 10 1 1 A 61 61 LEU H H 61 7.700 7.644 0.056 1
1 543 . 10 1 1 A 61 61 LEU HA H 61 4.000 3.995 0.005 1
1 553 . 10 1 1 A 61 61 LEU CA C 61 58.100 57.946 0.154 1
1 554 . 10 1 1 A 61 61 LEU CB C 61 41.400 41.584 -0.184 1
1 558 . 10 1 1 A 61 61 LEU N N 61 120.800 119.693 1.107 1
1 559 . 10 1 1 A 62 62 ILE H H 62 7.510 7.463 0.047 1
1 560 . 10 1 1 A 62 62 ILE HA H 62 4.040 3.882 0.158 1
1 570 . 10 1 1 A 62 62 ILE CA C 62 63.200 64.154 -0.954 1
1 571 . 10 1 1 A 62 62 ILE CB C 62 37.200 37.056 0.144 1
1 575 . 10 1 1 A 62 62 ILE N N 62 110.700 114.995 -4.295 1
1 576 . 10 1 1 A 63 63 LYS H H 63 7.520 8.004 -0.484 1
1 577 . 10 1 1 A 63 63 LYS HA H 63 4.070 4.067 0.003 1
1 586 . 10 1 1 A 63 63 LYS CA C 63 58.600 58.955 -0.355 1
1 587 . 10 1 1 A 63 63 LYS CB C 63 32.800 31.948 0.852 1
1 590 . 10 1 1 A 63 63 LYS N N 63 121.100 123.290 -2.190 1
1 591 . 10 1 1 A 64 64 VAL H H 64 7.630 7.187 0.443 1
1 592 . 10 1 1 A 64 64 VAL HA H 64 3.950 3.903 0.047 1
1 600 . 10 1 1 A 64 64 VAL CA C 64 63.900 64.543 -0.643 1
1 601 . 10 1 1 A 64 64 VAL CB C 64 32.400 32.520 -0.120 1
1 604 . 10 1 1 A 64 64 VAL N N 64 115.200 119.073 -3.873 1
1 605 . 10 1 1 A 65 65 ARG H H 65 7.980 7.659 0.321 1
1 606 . 10 1 1 A 65 65 ARG HA H 65 4.390 4.580 -0.190 1
1 613 . 10 1 1 A 65 65 ARG CA C 65 55.200 54.316 0.884 1
1 614 . 10 1 1 A 65 65 ARG CB C 65 31.500 32.086 -0.586 1
1 617 . 10 1 1 A 65 65 ARG N N 65 118.300 115.243 3.057 1
1 618 . 10 1 1 A 66 66 ARG HA H 66 4.340 4.803 -0.463 1
1 621 . 10 1 1 A 66 66 ARG CA C 66 54.900 52.310 2.590 1
1 622 . 10 1 1 A 66 66 ARG CB C 66 29.200 30.973 -1.773 1
1 629 . 10 1 1 A 68 68 LYS HA H 68 4.100 4.318 -0.218 1
1 638 . 10 1 1 A 68 68 LYS CA C 68 57.900 57.395 0.505 1
1 639 . 10 1 1 A 68 68 LYS CB C 68 34.100 34.041 0.059 1
1 643 . 10 1 1 A 69 69 TYR HA H 69 4.760 4.541 0.219 1
1 650 . 10 1 1 A 69 69 TYR CA C 69 57.800 59.826 -2.026 1
1 651 . 10 1 1 A 69 69 TYR CB C 69 39.600 39.922 -0.322 1
1 654 . 10 1 1 A 70 70 VAL H H 70 6.950 7.667 -0.717 1
1 655 . 10 1 1 A 70 70 VAL HA H 70 4.720 4.179 0.541 1
1 663 . 10 1 1 A 70 70 VAL CA C 70 60.000 62.583 -2.583 1
1 664 . 10 1 1 A 70 70 VAL CB C 70 34.500 32.583 1.917 1
1 667 . 10 1 1 A 70 70 VAL N N 70 115.400 119.125 -3.725 1
1 668 . 10 1 1 A 71 71 HIS H H 71 7.870 8.919 -1.049 1
1 669 . 10 1 1 A 71 71 HIS HA H 71 4.910 4.980 -0.070 1
1 673 . 10 1 1 A 71 71 HIS CA C 71 54.100 54.576 -0.476 1
1 674 . 10 1 1 A 71 71 HIS CB C 71 33.700 33.618 0.082 1
1 676 . 10 1 1 A 71 71 HIS N N 71 120.600 124.534 -3.934 1
1 677 . 10 1 1 A 72 72 LYS H H 72 8.400 8.810 -0.410 1
1 678 . 10 1 1 A 72 72 LYS HA H 72 3.680 3.857 -0.177 1
1 687 . 10 1 1 A 72 72 LYS CA C 72 60.600 60.273 0.327 1
1 688 . 10 1 1 A 72 72 LYS CB C 72 32.800 32.161 0.639 1
1 692 . 10 1 1 A 73 73 GLU H H 73 9.680 8.536 1.144 1
1 693 . 10 1 1 A 73 73 GLU HA H 73 4.170 4.006 0.164 1
1 698 . 10 1 1 A 73 73 GLU CA C 73 60.000 59.538 0.462 1
1 699 . 10 1 1 A 73 73 GLU CB C 73 28.300 29.246 -0.946 1
1 701 . 10 1 1 A 73 73 GLU N N 73 117.300 118.578 -1.278 1
1 702 . 10 1 1 A 74 74 GLN H H 74 7.360 7.937 -0.577 1
1 703 . 10 1 1 A 74 74 GLN HA H 74 4.180 4.112 0.068 1
1 710 . 10 1 1 A 74 74 GLN CA C 74 58.300 58.640 -0.340 1
1 711 . 10 1 1 A 74 74 GLN CB C 74 28.300 28.570 -0.270 1
1 713 . 10 1 1 A 74 74 GLN N N 74 117.700 119.568 -1.868 1
1 715 . 10 1 1 A 75 75 ILE H H 75 7.530 8.097 -0.567 1
1 716 . 10 1 1 A 75 75 ILE HA H 75 3.780 3.993 -0.213 1
1 726 . 10 1 1 A 75 75 ILE CA C 75 64.100 65.615 -1.515 1
1 727 . 10 1 1 A 75 75 ILE CB C 75 36.800 37.876 -1.076 1
1 731 . 10 1 1 A 75 75 ILE N N 75 120.600 121.195 -0.595 1
1 732 . 10 1 1 A 76 76 GLU H H 76 8.340 8.200 0.140 1
1 733 . 10 1 1 A 76 76 GLU HA H 76 3.970 4.149 -0.179 1
1 738 . 10 1 1 A 76 76 GLU CA C 76 59.200 59.361 -0.161 1
1 739 . 10 1 1 A 76 76 GLU CB C 76 29.700 28.297 1.403 1
1 741 . 10 1 1 A 76 76 GLU N N 76 117.500 120.894 -3.394 1
1 742 . 10 1 1 A 77 77 ALA H H 77 7.390 7.687 -0.297 1
1 743 . 10 1 1 A 77 77 ALA HA H 77 4.370 4.167 0.203 1
1 747 . 10 1 1 A 77 77 ALA CA C 77 53.400 54.932 -1.532 1
1 748 . 10 1 1 A 77 77 ALA CB C 77 18.800 18.302 0.498 1
1 749 . 10 1 1 A 77 77 ALA N N 77 118.600 123.354 -4.754 1
1 750 . 10 1 1 A 78 78 VAL H H 78 7.620 8.327 -0.707 1
1 751 . 10 1 1 A 78 78 VAL HA H 78 3.720 3.449 0.271 1
1 759 . 10 1 1 A 78 78 VAL CA C 78 66.700 67.101 -0.401 1
1 760 . 10 1 1 A 78 78 VAL CB C 78 31.500 31.439 0.061 1
1 763 . 10 1 1 A 78 78 VAL N N 78 116.800 118.705 -1.905 1
1 764 . 10 1 1 A 79 79 LYS H H 79 8.570 8.168 0.402 1
1 765 . 10 1 1 A 79 79 LYS HA H 79 3.780 4.037 -0.257 1
1 774 . 10 1 1 A 79 79 LYS CA C 79 61.800 59.894 1.906 1
1 775 . 10 1 1 A 79 79 LYS CB C 79 31.500 32.405 -0.905 1
1 779 . 10 1 1 A 79 79 LYS N N 79 119.500 120.165 -0.665 1
1 780 . 10 1 1 A 80 80 ASP H H 80 8.350 8.170 0.180 1
1 781 . 10 1 1 A 80 80 ASP HA H 80 4.490 4.385 0.105 1
1 784 . 10 1 1 A 80 80 ASP CA C 80 57.300 57.309 -0.009 1
1 785 . 10 1 1 A 80 80 ASP CB C 80 40.000 41.146 -1.146 1
1 786 . 10 1 1 A 80 80 ASP N N 80 115.500 119.786 -4.286 1
1 787 . 10 1 1 A 81 81 ASN H H 81 7.690 8.482 -0.792 1
1 788 . 10 1 1 A 81 81 ASN HA H 81 4.540 4.363 0.177 1
1 793 . 10 1 1 A 81 81 ASN CA C 81 55.500 56.511 -1.011 1
1 794 . 10 1 1 A 81 81 ASN CB C 81 38.600 37.880 0.720 1
1 795 . 10 1 1 A 81 81 ASN N N 81 118.300 117.814 0.486 1
1 797 . 10 1 1 A 82 82 PHE H H 82 9.620 8.396 1.224 1
1 798 . 10 1 1 A 82 82 PHE HA H 82 4.060 4.084 -0.024 1
1 806 . 10 1 1 A 82 82 PHE CA C 82 60.900 61.453 -0.553 1
1 807 . 10 1 1 A 82 82 PHE CB C 82 39.500 39.104 0.396 1
1 811 . 10 1 1 A 82 82 PHE N N 82 121.400 122.581 -1.181 1
1 812 . 10 1 1 A 83 83 LEU H H 83 8.210 8.244 -0.034 1
1 813 . 10 1 1 A 83 83 LEU HA H 83 3.900 3.715 0.185 1
1 823 . 10 1 1 A 83 83 LEU CA C 83 57.000 57.830 -0.830 1
1 824 . 10 1 1 A 83 83 LEU CB C 83 40.400 41.368 -0.968 1
1 828 . 10 1 1 A 83 83 LEU N N 83 117.400 119.200 -1.800 1
1 829 . 10 1 1 A 84 84 GLU H H 84 7.660 7.951 -0.291 1
1 830 . 10 1 1 A 84 84 GLU HA H 84 4.150 4.069 0.081 1
1 835 . 10 1 1 A 84 84 GLU CA C 84 59.500 59.327 0.173 1
1 836 . 10 1 1 A 84 84 GLU CB C 84 28.700 29.656 -0.956 1
1 838 . 10 1 1 A 84 84 GLU N N 84 121.500 118.084 3.416 1
1 839 . 10 1 1 A 85 85 LEU H H 85 8.100 8.355 -0.255 1
1 840 . 10 1 1 A 85 85 LEU HA H 85 3.600 3.772 -0.172 1
1 850 . 10 1 1 A 85 85 LEU CA C 85 59.300 58.137 1.163 1
1 851 . 10 1 1 A 85 85 LEU CB C 85 41.800 41.465 0.335 1
1 855 . 10 1 1 A 85 85 LEU N N 85 121.700 122.406 -0.706 1
1 856 . 10 1 1 A 86 86 VAL H H 86 8.220 7.964 0.256 1
1 857 . 10 1 1 A 86 86 VAL HA H 86 3.100 3.302 -0.202 1
1 865 . 10 1 1 A 86 86 VAL CA C 86 67.200 66.771 0.429 1
1 866 . 10 1 1 A 86 86 VAL CB C 86 31.500 31.259 0.241 1
1 869 . 10 1 1 A 86 86 VAL N N 86 118.400 118.884 -0.484 1
1 870 . 10 1 1 A 87 87 LEU H H 87 8.450 7.834 0.616 1
1 871 . 10 1 1 A 87 87 LEU HA H 87 3.960 3.975 -0.015 1
1 881 . 10 1 1 A 87 87 LEU CA C 87 59.100 58.495 0.605 1
1 882 . 10 1 1 A 87 87 LEU CB C 87 42.300 41.698 0.602 1
1 886 . 10 1 1 A 87 87 LEU N N 87 120.200 120.129 0.071 1
1 887 . 10 1 1 A 88 88 GLN H H 88 9.350 8.497 0.853 1
1 888 . 10 1 1 A 88 88 GLN HA H 88 4.180 3.850 0.330 1
1 895 . 10 1 1 A 88 88 GLN CA C 88 57.300 56.700 0.600 1
1 896 . 10 1 1 A 88 88 GLN CB C 88 25.400 27.426 -2.026 1
1 898 . 10 1 1 A 88 88 GLN N N 88 114.900 117.062 -2.162 1
1 900 . 10 1 1 A 89 89 SER H H 89 8.680 7.289 1.391 1
1 901 . 10 1 1 A 89 89 SER HA H 89 4.080 3.966 0.114 1
1 904 . 10 1 1 A 89 89 SER CA C 89 61.900 60.597 1.303 1
1 905 . 10 1 1 A 89 89 SER CB C 89 62.200 62.738 -0.538 1
1 906 . 10 1 1 A 89 89 SER N N 89 117.500 116.615 0.885 1
1 907 . 10 1 1 A 90 90 TYR H H 90 7.330 7.177 0.153 1
1 908 . 10 1 1 A 90 90 TYR HA H 90 4.320 4.445 -0.125 1
1 915 . 10 1 1 A 90 90 TYR CA C 90 59.700 59.650 0.050 1
1 916 . 10 1 1 A 90 90 TYR CB C 90 41.400 39.603 1.797 1
1 919 . 10 1 1 A 90 90 TYR N N 90 116.000 117.789 -1.789 1
1 920 . 10 1 1 A 91 91 VAL H H 91 7.730 7.535 0.195 1
1 921 . 10 1 1 A 91 91 VAL HA H 91 4.010 4.061 -0.051 1
1 929 . 10 1 1 A 91 91 VAL CA C 91 62.600 65.697 -3.097 1
1 930 . 10 1 1 A 91 91 VAL CB C 91 32.700 32.953 -0.253 1
1 933 . 10 1 1 A 91 91 VAL N N 91 110.500 115.764 -5.264 1
1 934 . 10 1 1 A 92 92 HIS H H 92 8.600 7.698 0.902 1
1 935 . 10 1 1 A 92 92 HIS HA H 92 4.280 4.194 0.086 1
1 939 . 10 1 1 A 92 92 HIS CA C 92 56.000 56.143 -0.143 1
1 940 . 10 1 1 A 92 92 HIS CB C 92 29.200 27.623 1.577 1
1 942 . 10 1 1 A 92 92 HIS N N 92 114.500 116.128 -1.628 1
1 943 . 10 1 1 A 93 93 HIS H H 93 8.350 8.027 0.323 1
1 944 . 10 1 1 A 93 93 HIS HA H 93 4.780 4.766 0.014 1
1 948 . 10 1 1 A 93 93 HIS CA C 93 57.600 55.476 2.124 1
1 949 . 10 1 1 A 93 93 HIS CB C 93 31.900 30.706 1.194 1
1 951 . 10 1 1 A 93 93 HIS N N 93 118.200 118.413 -0.213 1
1 952 . 10 1 1 A 94 94 ILE H H 94 7.470 7.521 -0.051 1
1 953 . 10 1 1 A 94 94 ILE HA H 94 4.370 4.609 -0.239 1
1 963 . 10 1 1 A 94 94 ILE CA C 94 60.900 59.085 1.815 1
1 964 . 10 1 1 A 94 94 ILE CB C 94 39.600 40.887 -1.287 1
1 968 . 10 1 1 A 94 94 ILE N N 94 111.400 115.647 -4.247 1
1 969 . 10 1 1 A 95 95 HIS H H 95 6.990 8.548 -1.558 1
1 970 . 10 1 1 A 96 96 LYS HA H 96 4.040 4.412 -0.372 1
1 977 . 10 1 1 A 97 97 LYS HA H 97 4.130 3.888 0.242 1
1 986 . 10 1 1 A 97 97 LYS CA C 97 59.400 60.288 -0.888 1
1 987 . 10 1 1 A 97 97 LYS CB C 97 32.000 32.237 -0.237 1
1 991 . 10 1 1 A 98 98 ARG H H 98 7.150 7.937 -0.787 1
1 992 . 10 1 1 A 98 98 ARG HA H 98 4.150 3.997 0.153 1
1 999 . 10 1 1 A 98 98 ARG CA C 98 57.900 59.186 -1.286 1
1 1000 . 10 1 1 A 98 98 ARG CB C 98 28.600 29.813 -1.213 1
1 1003 . 10 1 1 A 98 98 ARG N N 98 118.500 119.492 -0.992 1
1 1004 . 10 1 1 A 99 99 PHE H H 99 8.260 8.170 0.090 1
1 1005 . 10 1 1 A 99 99 PHE HA H 99 3.450 4.022 -0.572 1
1 1013 . 10 1 1 A 99 99 PHE CA C 99 62.700 61.224 1.476 1
1 1014 . 10 1 1 A 99 99 PHE CB C 99 39.200 39.106 0.094 1
1 1018 . 10 1 1 A 99 99 PHE N N 99 119.100 121.556 -2.456 1
1 1019 . 10 1 1 A 100 100 LYS H H 100 8.500 7.899 0.601 1
1 1020 . 10 1 1 A 100 100 LYS HA H 100 3.980 3.944 0.036 1
1 1029 . 10 1 1 A 100 100 LYS CA C 100 59.300 59.910 -0.610 1
1 1030 . 10 1 1 A 100 100 LYS CB C 100 31.900 32.070 -0.170 1
1 1034 . 10 1 1 A 100 100 LYS N N 100 121.700 119.161 2.539 1
1 1035 . 10 1 1 A 101 101 ASP H H 101 8.150 8.314 -0.164 1
1 1036 . 10 1 1 A 101 101 ASP HA H 101 4.290 4.321 -0.031 1
1 1039 . 10 1 1 A 101 101 ASP CA C 101 57.300 57.904 -0.604 1
1 1040 . 10 1 1 A 101 101 ASP CB C 101 39.900 41.618 -1.718 1
1 1041 . 10 1 1 A 101 101 ASP N N 101 119.800 119.237 0.563 1
1 1042 . 10 1 1 A 102 102 ILE H H 102 8.220 8.049 0.171 1
1 1043 . 10 1 1 A 102 102 ILE HA H 102 3.690 3.509 0.181 1
1 1053 . 10 1 1 A 102 102 ILE CA C 102 65.000 65.138 -0.138 1
1 1054 . 10 1 1 A 102 102 ILE CB C 102 37.700 37.361 0.339 1
1 1058 . 10 1 1 A 102 102 ILE N N 102 118.800 118.792 0.008 1
1 1059 . 10 1 1 A 103 103 THR H H 103 7.930 7.803 0.127 1
1 1060 . 10 1 1 A 103 103 THR HA H 103 3.480 3.670 -0.190 1
1 1066 . 10 1 1 A 103 103 THR CA C 103 67.300 66.883 0.417 1
1 1067 . 10 1 1 A 103 103 THR CB C 103 67.700 68.234 -0.534 1
1 1069 . 10 1 1 A 103 103 THR N N 103 117.900 116.941 0.959 1
1 1070 . 10 1 1 A 104 104 GLU H H 104 8.470 8.276 0.194 1
1 1071 . 10 1 1 A 104 104 GLU HA H 104 3.920 3.983 -0.063 1
1 1076 . 10 1 1 A 104 104 GLU CA C 104 59.500 59.370 0.130 1
1 1077 . 10 1 1 A 104 104 GLU CB C 104 29.200 29.305 -0.105 1
1 1079 . 10 1 1 A 104 104 GLU N N 104 118.900 122.230 -3.330 1
1 1080 . 10 1 1 A 105 105 SER H H 105 7.840 8.048 -0.208 1
1 1081 . 10 1 1 A 105 105 SER HA H 105 4.290 4.228 0.062 1
1 1084 . 10 1 1 A 105 105 SER CA C 105 60.900 61.557 -0.657 1
1 1085 . 10 1 1 A 105 105 SER CB C 105 62.700 62.959 -0.259 1
1 1086 . 10 1 1 A 105 105 SER N N 105 114.200 114.425 -0.225 1
1 1087 . 10 1 1 A 106 106 VAL H H 106 8.290 7.978 0.312 1
1 1088 . 10 1 1 A 106 106 VAL HA H 106 3.690 3.550 0.140 1
1 1096 . 10 1 1 A 106 106 VAL CA C 106 66.300 66.766 -0.466 1
1 1097 . 10 1 1 A 106 106 VAL CB C 106 31.900 31.733 0.167 1
1 1100 . 10 1 1 A 106 106 VAL N N 106 122.100 121.260 0.840 1
1 1101 . 10 1 1 A 107 107 LEU H H 107 8.560 8.338 0.222 1
1 1102 . 10 1 1 A 107 107 LEU HA H 107 3.900 3.694 0.206 1
1 1112 . 10 1 1 A 107 107 LEU CA C 107 58.300 57.860 0.440 1
1 1113 . 10 1 1 A 107 107 LEU CB C 107 41.200 41.608 -0.408 1
1 1117 . 10 1 1 A 107 107 LEU N N 107 117.500 118.080 -0.580 1
1 1118 . 10 1 1 A 108 108 TYR H H 108 8.450 8.800 -0.350 1
1 1119 . 10 1 1 A 108 108 TYR HA H 108 4.170 3.908 0.262 1
1 1126 . 10 1 1 A 108 108 TYR CA C 108 61.800 61.870 -0.070 1
1 1127 . 10 1 1 A 108 108 TYR CB C 108 37.900 38.639 -0.739 1
1 1130 . 10 1 1 A 108 108 TYR N N 108 119.000 119.351 -0.351 1
1 1131 . 10 1 1 A 109 109 THR H H 109 7.800 7.947 -0.147 1
1 1132 . 10 1 1 A 109 109 THR HA H 109 3.860 4.171 -0.311 1
1 1137 . 10 1 1 A 109 109 THR CA C 109 66.800 67.296 -0.496 1
1 1138 . 10 1 1 A 109 109 THR CB C 109 67.800 67.907 -0.107 1
1 1140 . 10 1 1 A 109 109 THR N N 109 116.500 115.544 0.956 1
1 1141 . 10 1 1 A 110 110 LEU H H 110 8.510 8.360 0.150 1
1 1142 . 10 1 1 A 110 110 LEU HA H 110 3.900 4.080 -0.180 1
1 1152 . 10 1 1 A 110 110 LEU CA C 110 58.500 57.929 0.571 1
1 1153 . 10 1 1 A 110 110 LEU CB C 110 41.300 41.652 -0.352 1
1 1157 . 10 1 1 A 110 110 LEU N N 110 121.000 120.906 0.094 1
1 1158 . 10 1 1 A 111 111 HIS H H 111 8.440 8.629 -0.189 1
1 1159 . 10 1 1 A 111 111 HIS HA H 111 4.000 4.147 -0.147 1
1 1163 . 10 1 1 A 111 111 HIS CA C 111 60.900 60.206 0.694 1
1 1164 . 10 1 1 A 111 111 HIS CB C 111 29.700 28.897 0.803 1
1 1166 . 10 1 1 A 111 111 HIS N N 111 116.300 117.683 -1.383 1
1 1167 . 10 1 1 A 112 112 ALA H H 112 7.920 7.937 -0.017 1
1 1168 . 10 1 1 A 112 112 ALA HA H 112 4.130 3.615 0.515 1
1 1172 . 10 1 1 A 112 112 ALA CA C 112 55.000 54.996 0.004 1
1 1173 . 10 1 1 A 112 112 ALA CB C 112 17.600 18.022 -0.422 1
1 1174 . 10 1 1 A 112 112 ALA N N 112 122.900 122.017 0.883 1
1 1175 . 10 1 1 A 113 113 VAL H H 113 8.300 8.173 0.127 1
1 1176 . 10 1 1 A 113 113 VAL HA H 113 3.540 3.543 -0.003 1
1 1184 . 10 1 1 A 113 113 VAL CA C 113 67.200 66.912 0.288 1
1 1185 . 10 1 1 A 113 113 VAL CB C 113 31.000 31.706 -0.706 1
1 1188 . 10 1 1 A 113 113 VAL N N 113 119.000 119.017 -0.017 1
1 1189 . 10 1 1 A 114 114 LYS H H 114 8.220 8.283 -0.063 1
1 1190 . 10 1 1 A 114 114 LYS HA H 114 3.810 3.984 -0.174 1
1 1199 . 10 1 1 A 114 114 LYS CA C 114 60.800 59.906 0.894 1
1 1200 . 10 1 1 A 114 114 LYS CB C 114 31.500 32.119 -0.619 1
1 1204 . 10 1 1 A 114 114 LYS N N 114 120.600 120.032 0.568 1
1 1205 . 10 1 1 A 115 115 ASP H H 115 8.180 7.857 0.323 1
1 1206 . 10 1 1 A 115 115 ASP HA H 115 4.300 4.305 -0.005 1
1 1209 . 10 1 1 A 115 115 ASP CA C 115 56.800 57.638 -0.838 1
1 1210 . 10 1 1 A 115 115 ASP CB C 115 39.600 41.296 -1.696 1
1 1211 . 10 1 1 A 115 115 ASP N N 115 118.800 119.635 -0.835 1
1 1212 . 10 1 1 A 116 116 GLU H H 116 7.990 7.781 0.209 1
1 1213 . 10 1 1 A 116 116 GLU HA H 116 4.060 4.053 0.007 1
1 1218 . 10 1 1 A 116 116 GLU CA C 116 58.400 59.528 -1.128 1
1 1219 . 10 1 1 A 116 116 GLU CB C 116 29.000 29.463 -0.463 1
1 1221 . 10 1 1 A 116 116 GLU N N 116 120.800 118.890 1.910 1
1 1222 . 10 1 1 A 117 117 ILE H H 117 8.370 8.267 0.103 1
1 1223 . 10 1 1 A 117 117 ILE HA H 117 3.610 3.685 -0.075 1
1 1233 . 10 1 1 A 117 117 ILE CA C 117 64.800 65.628 -0.828 1
1 1234 . 10 1 1 A 117 117 ILE CB C 117 38.600 38.281 0.319 1
1 1238 . 10 1 1 A 117 117 ILE N N 117 119.700 121.221 -1.521 1
1 1239 . 10 1 1 A 118 118 ALA H H 118 7.720 7.926 -0.206 1
1 1240 . 10 1 1 A 118 118 ALA HA H 118 4.250 4.130 0.120 1
1 1244 . 10 1 1 A 118 118 ALA CA C 118 52.900 54.548 -1.648 1
1 1245 . 10 1 1 A 118 118 ALA CB C 118 18.700 18.352 0.348 1
1 1246 . 10 1 1 A 118 118 ALA N N 118 119.900 122.140 -2.240 1
1 1247 . 10 1 1 A 119 119 ARG H H 119 7.450 7.835 -0.385 1
1 1248 . 10 1 1 A 119 119 ARG HA H 119 4.110 4.138 -0.028 1
1 1255 . 10 1 1 A 119 119 ARG CA C 119 57.600 58.686 -1.086 1
1 1256 . 10 1 1 A 119 119 ARG CB C 119 31.000 29.805 1.195 1
1 1259 . 10 1 1 A 119 119 ARG N N 119 118.400 118.805 -0.405 1
1 1260 . 10 1 1 A 120 120 GLU H H 120 8.890 7.766 1.124 1
1 1261 . 10 1 1 A 120 120 GLU HA H 120 4.280 4.069 0.211 1
1 1266 . 10 1 1 A 120 120 GLU CA C 120 57.600 59.229 -1.629 1
1 1267 . 10 1 1 A 120 120 GLU CB C 120 30.100 29.092 1.008 1
1 1269 . 10 1 1 A 120 120 GLU N N 120 114.900 119.828 -4.928 1
1 1 . 11 1 1 A 6 6 LEU HA H 6 4.230 3.988 0.242 1
1 11 . 11 1 1 A 6 6 LEU CA C 6 58.000 58.358 -0.358 1
1 12 . 11 1 1 A 6 6 LEU CB C 6 40.900 41.662 -0.762 1
1 16 . 11 1 1 A 7 7 LEU H H 7 8.970 8.310 0.660 1
1 17 . 11 1 1 A 7 7 LEU HA H 7 3.970 4.097 -0.127 1
1 27 . 11 1 1 A 7 7 LEU CA C 7 58.500 58.290 0.210 1
1 28 . 11 1 1 A 7 7 LEU CB C 7 41.000 41.851 -0.851 1
1 32 . 11 1 1 A 7 7 LEU N N 7 124.300 119.969 4.331 1
1 33 . 11 1 1 A 8 8 GLU H H 8 7.910 8.417 -0.507 1
1 34 . 11 1 1 A 8 8 GLU HA H 8 4.040 3.981 0.059 1
1 39 . 11 1 1 A 8 8 GLU CA C 8 59.500 59.446 0.054 1
1 40 . 11 1 1 A 8 8 GLU CB C 8 29.200 28.706 0.494 1
1 42 . 11 1 1 A 8 8 GLU N N 8 119.000 118.737 0.263 1
1 43 . 11 1 1 A 9 9 MET H H 9 8.520 8.467 0.053 1
1 44 . 11 1 1 A 9 9 MET HA H 9 4.030 4.239 -0.209 1
1 52 . 11 1 1 A 9 9 MET CA C 9 59.900 58.196 1.704 1
1 53 . 11 1 1 A 9 9 MET CB C 9 36.000 31.762 4.238 1
1 56 . 11 1 1 A 9 9 MET N N 9 117.500 119.208 -1.708 1
1 57 . 11 1 1 A 10 10 THR H H 10 8.470 7.303 1.167 1
1 58 . 11 1 1 A 10 10 THR HA H 10 3.550 3.651 -0.101 1
1 64 . 11 1 1 A 10 10 THR CA C 10 67.200 67.765 -0.565 1
1 65 . 11 1 1 A 10 10 THR CB C 10 68.500 68.190 0.310 1
1 67 . 11 1 1 A 10 10 THR N N 10 116.600 116.501 0.099 1
1 68 . 11 1 1 A 11 11 GLU H H 11 8.500 8.878 -0.378 1
1 69 . 11 1 1 A 11 11 GLU HA H 11 3.910 3.826 0.084 1
1 74 . 11 1 1 A 11 11 GLU CA C 11 59.400 59.889 -0.489 1
1 75 . 11 1 1 A 11 11 GLU CB C 11 29.200 29.210 -0.010 1
1 77 . 11 1 1 A 11 11 GLU N N 11 119.400 119.586 -0.186 1
1 78 . 11 1 1 A 12 12 GLN H H 12 8.140 8.242 -0.102 1
1 79 . 11 1 1 A 12 12 GLN HA H 12 4.100 4.054 0.046 1
1 86 . 11 1 1 A 12 12 GLN CA C 12 59.000 58.671 0.329 1
1 87 . 11 1 1 A 12 12 GLN CB C 12 27.800 28.539 -0.739 1
1 89 . 11 1 1 A 12 12 GLN N N 12 120.400 119.731 0.669 1
1 91 . 11 1 1 A 13 13 MET H H 13 8.120 7.608 0.512 1
1 92 . 11 1 1 A 13 13 MET HA H 13 3.710 4.050 -0.340 1
1 100 . 11 1 1 A 13 13 MET CA C 13 59.600 58.132 1.468 1
1 101 . 11 1 1 A 13 13 MET CB C 13 33.300 31.689 1.611 1
1 104 . 11 1 1 A 13 13 MET N N 13 118.500 118.530 -0.030 1
1 105 . 11 1 1 A 14 14 ILE H H 14 8.040 8.122 -0.082 1
1 106 . 11 1 1 A 14 14 ILE HA H 14 3.270 3.486 -0.216 1
1 116 . 11 1 1 A 14 14 ILE CA C 14 65.700 64.845 0.855 1
1 117 . 11 1 1 A 14 14 ILE CB C 14 38.000 37.368 0.632 1
1 121 . 11 1 1 A 14 14 ILE N N 14 119.400 119.748 -0.348 1
1 122 . 11 1 1 A 15 15 GLU H H 15 7.700 8.598 -0.898 1
1 123 . 11 1 1 A 15 15 GLU HA H 15 4.110 4.048 0.062 1
1 128 . 11 1 1 A 15 15 GLU CA C 15 59.300 59.250 0.050 1
1 129 . 11 1 1 A 15 15 GLU CB C 15 29.200 29.434 -0.234 1
1 131 . 11 1 1 A 15 15 GLU N N 15 119.000 120.880 -1.880 1
1 132 . 11 1 1 A 16 16 VAL H H 16 8.410 8.418 -0.008 1
1 133 . 11 1 1 A 16 16 VAL HA H 16 3.530 3.668 -0.138 1
1 141 . 11 1 1 A 16 16 VAL CA C 16 66.600 66.435 0.165 1
1 142 . 11 1 1 A 16 16 VAL CB C 16 31.900 31.698 0.202 1
1 145 . 11 1 1 A 16 16 VAL N N 16 119.500 120.600 -1.100 1
1 146 . 11 1 1 A 17 17 ALA H H 17 8.600 7.866 0.734 1
1 147 . 11 1 1 A 17 17 ALA HA H 17 4.080 4.113 -0.033 1
1 151 . 11 1 1 A 17 17 ALA CA C 17 54.700 55.455 -0.755 1
1 152 . 11 1 1 A 17 17 ALA CB C 17 17.700 18.200 -0.500 1
1 153 . 11 1 1 A 17 17 ALA N N 17 123.100 121.980 1.120 1
1 154 . 11 1 1 A 18 18 GLU H H 18 8.850 8.463 0.387 1
1 155 . 11 1 1 A 18 18 GLU HA H 18 3.990 4.006 -0.016 1
1 160 . 11 1 1 A 18 18 GLU CA C 18 59.500 59.438 0.062 1
1 161 . 11 1 1 A 18 18 GLU CB C 18 29.700 29.465 0.235 1
1 163 . 11 1 1 A 18 18 GLU N N 18 117.900 118.338 -0.438 1
1 164 . 11 1 1 A 19 19 LYS H H 19 8.750 8.649 0.101 1
1 165 . 11 1 1 A 19 19 LYS HA H 19 4.150 4.108 0.042 1
1 174 . 11 1 1 A 19 19 LYS CA C 19 58.700 58.716 -0.016 1
1 175 . 11 1 1 A 19 19 LYS CB C 19 31.900 32.631 -0.731 1
1 179 . 11 1 1 A 19 19 LYS N N 19 119.200 118.945 0.255 1
1 180 . 11 1 1 A 20 20 GLY H H 20 8.640 8.220 0.420 1
1 181 . 11 1 1 A 20 20 GLY HA2 H 20 3.790 3.924 -0.134 1
1 182 . 11 1 1 A 20 20 GLY HA3 H 20 3.500 3.936 -0.436 1
1 183 . 11 1 1 A 20 20 GLY CA C 20 46.400 47.301 -0.901 1
1 184 . 11 1 1 A 20 20 GLY N N 20 110.300 108.672 1.628 1
1 185 . 11 1 1 A 21 21 ALA H H 21 8.550 8.007 0.543 1
1 186 . 11 1 1 A 21 21 ALA HA H 21 4.490 4.419 0.071 1
1 190 . 11 1 1 A 21 21 ALA CA C 21 55.100 54.761 0.339 1
1 191 . 11 1 1 A 21 21 ALA CB C 21 17.300 18.830 -1.530 1
1 192 . 11 1 1 A 21 21 ALA N N 21 125.300 125.005 0.295 1
1 193 . 11 1 1 A 22 22 ASP H H 22 7.660 8.043 -0.383 1
1 194 . 11 1 1 A 22 22 ASP HA H 22 4.460 4.372 0.088 1
1 197 . 11 1 1 A 22 22 ASP CA C 22 56.900 57.660 -0.760 1
1 198 . 11 1 1 A 22 22 ASP CB C 22 40.500 41.818 -1.318 1
1 199 . 11 1 1 A 22 22 ASP N N 22 119.000 118.446 0.554 1
1 200 . 11 1 1 A 23 23 ARG H H 23 8.110 8.603 -0.493 1
1 201 . 11 1 1 A 23 23 ARG HA H 23 4.000 4.039 -0.039 1
1 208 . 11 1 1 A 23 23 ARG CA C 23 59.200 58.931 0.269 1
1 209 . 11 1 1 A 23 23 ARG CB C 23 30.700 29.826 0.874 1
1 212 . 11 1 1 A 23 23 ARG N N 23 121.800 120.416 1.384 1
1 213 . 11 1 1 A 24 24 TYR H H 24 8.460 8.506 -0.046 1
1 214 . 11 1 1 A 24 24 TYR HA H 24 3.780 3.993 -0.213 1
1 221 . 11 1 1 A 24 24 TYR CA C 24 60.900 62.345 -1.445 1
1 222 . 11 1 1 A 24 24 TYR CB C 24 39.400 38.026 1.374 1
1 225 . 11 1 1 A 24 24 TYR N N 24 120.400 120.635 -0.235 1
1 226 . 11 1 1 A 25 25 GLN H H 25 7.540 7.982 -0.442 1
1 227 . 11 1 1 A 25 25 GLN HA H 25 3.750 3.780 -0.030 1
1 232 . 11 1 1 A 25 25 GLN CA C 25 57.800 58.570 -0.770 1
1 233 . 11 1 1 A 25 25 GLN CB C 25 28.400 28.444 -0.044 1
1 235 . 11 1 1 A 25 25 GLN N N 25 117.500 117.987 -0.487 1
1 236 . 11 1 1 A 26 26 GLU H H 26 7.980 7.820 0.160 1
1 237 . 11 1 1 A 26 26 GLU HA H 26 4.010 3.997 0.013 1
1 242 . 11 1 1 A 26 26 GLU CA C 26 57.900 59.081 -1.181 1
1 243 . 11 1 1 A 26 26 GLU CB C 26 29.700 29.162 0.538 1
1 245 . 11 1 1 A 26 26 GLU N N 26 117.900 119.946 -2.046 1
1 246 . 11 1 1 A 32 32 HIS HA H 32 4.620 4.920 -0.300 1
1 249 . 11 1 1 A 32 32 HIS CA C 32 56.900 54.696 2.204 1
1 250 . 11 1 1 A 32 32 HIS CB C 32 64.000 33.697 30.303 1
1 251 . 11 1 1 A 33 33 SER HA H 33 4.610 4.547 0.063 1
1 254 . 11 1 1 A 33 33 SER CA C 33 56.900 58.102 -1.202 1
1 255 . 11 1 1 A 33 33 SER CB C 33 64.000 61.153 2.847 1
1 256 . 11 1 1 A 34 34 TYR HA H 34 4.630 4.657 -0.027 1
1 263 . 11 1 1 A 34 34 TYR CA C 34 56.900 58.579 -1.679 1
1 264 . 11 1 1 A 34 34 TYR CB C 34 40.700 38.244 2.456 1
1 267 . 11 1 1 A 36 36 PHE HA H 36 3.910 4.454 -0.544 1
1 275 . 11 1 1 A 36 36 PHE CA C 36 62.000 60.037 1.963 1
1 276 . 11 1 1 A 36 36 PHE CB C 36 39.200 37.744 1.456 1
1 280 . 11 1 1 A 37 37 PHE H H 37 8.090 9.107 -1.017 1
1 281 . 11 1 1 A 37 37 PHE HA H 37 3.980 4.444 -0.464 1
1 289 . 11 1 1 A 37 37 PHE CA C 37 61.600 60.340 1.260 1
1 290 . 11 1 1 A 37 37 PHE CB C 37 38.600 38.762 -0.162 1
1 294 . 11 1 1 A 37 37 PHE N N 37 116.200 120.611 -4.411 1
1 295 . 11 1 1 A 38 38 GLU H H 38 9.000 8.799 0.201 1
1 296 . 11 1 1 A 38 38 GLU HA H 38 4.130 3.739 0.391 1
1 301 . 11 1 1 A 38 38 GLU CA C 38 57.700 59.475 -1.775 1
1 302 . 11 1 1 A 38 38 GLU CB C 38 30.600 29.494 1.106 1
1 304 . 11 1 1 A 38 38 GLU N N 38 116.000 119.244 -3.244 1
1 305 . 11 1 1 A 39 39 THR H H 39 7.390 7.574 -0.184 1
1 306 . 11 1 1 A 39 39 THR HA H 39 4.280 4.102 0.178 1
1 311 . 11 1 1 A 39 39 THR CA C 39 64.100 64.628 -0.528 1
1 312 . 11 1 1 A 39 39 THR CB C 39 70.000 69.303 0.697 1
1 314 . 11 1 1 A 39 39 THR N N 39 110.400 112.153 -1.753 1
1 315 . 11 1 1 A 40 40 ILE H H 40 7.250 7.604 -0.354 1
1 316 . 11 1 1 A 40 40 ILE HA H 40 2.570 4.016 -1.446 1
1 326 . 11 1 1 A 40 40 ILE CA C 40 65.800 60.389 5.411 1
1 327 . 11 1 1 A 40 40 ILE CB C 40 37.300 35.484 1.816 1
1 331 . 11 1 1 A 40 40 ILE N N 40 120.900 118.958 1.942 1
1 332 . 11 1 1 A 41 41 LYS H H 41 8.400 7.493 0.907 1
1 333 . 11 1 1 A 41 41 LYS HA H 41 3.650 4.445 -0.795 1
1 336 . 11 1 1 A 41 41 LYS CA C 41 59.000 57.252 1.748 1
1 337 . 11 1 1 A 41 41 LYS CB C 41 29.700 35.045 -5.345 1
1 338 . 11 1 1 A 41 41 LYS N N 41 118.800 121.516 -2.716 1
1 339 . 11 1 1 A 42 42 PRO HA H 42 4.280 4.240 0.040 1
1 346 . 11 1 1 A 42 42 PRO CA C 42 65.300 66.191 -0.891 1
1 347 . 11 1 1 A 42 42 PRO CB C 42 30.200 30.582 -0.382 1
1 350 . 11 1 1 A 43 43 ALA H H 43 6.790 8.081 -1.291 1
1 351 . 11 1 1 A 43 43 ALA HA H 43 4.190 3.985 0.205 1
1 355 . 11 1 1 A 43 43 ALA CA C 43 54.900 55.222 -0.322 1
1 356 . 11 1 1 A 43 43 ALA CB C 43 18.000 18.235 -0.235 1
1 357 . 11 1 1 A 43 43 ALA N N 43 119.500 118.784 0.716 1
1 358 . 11 1 1 A 44 44 VAL H H 44 8.380 7.780 0.600 1
1 359 . 11 1 1 A 44 44 VAL HA H 44 3.460 3.315 0.145 1
1 367 . 11 1 1 A 44 44 VAL CA C 44 67.200 66.712 0.488 1
1 368 . 11 1 1 A 44 44 VAL CB C 44 31.500 31.338 0.162 1
1 371 . 11 1 1 A 44 44 VAL N N 44 120.500 118.047 2.453 1
1 372 . 11 1 1 A 45 45 GLU H H 45 8.410 8.004 0.406 1
1 373 . 11 1 1 A 45 45 GLU HA H 45 4.060 3.960 0.100 1
1 378 . 11 1 1 A 45 45 GLU CA C 45 59.600 59.700 -0.100 1
1 379 . 11 1 1 A 45 45 GLU CB C 45 29.300 29.442 -0.142 1
1 381 . 11 1 1 A 45 45 GLU N N 45 118.400 118.546 -0.146 1
1 382 . 11 1 1 A 46 46 GLU H H 46 8.390 8.111 0.279 1
1 383 . 11 1 1 A 46 46 GLU HA H 46 4.200 4.097 0.103 1
1 388 . 11 1 1 A 46 46 GLU CA C 46 58.900 59.091 -0.191 1
1 389 . 11 1 1 A 46 46 GLU CB C 46 29.300 29.196 0.104 1
1 391 . 11 1 1 A 46 46 GLU N N 46 118.800 120.853 -2.053 1
1 392 . 11 1 1 A 47 47 ASN H H 47 7.700 8.336 -0.636 1
1 393 . 11 1 1 A 47 47 ASN HA H 47 4.900 4.728 0.172 1
1 398 . 11 1 1 A 47 47 ASN CA C 47 57.100 56.032 1.068 1
1 399 . 11 1 1 A 47 47 ASN CB C 47 39.000 38.033 0.967 1
1 400 . 11 1 1 A 47 47 ASN N N 47 118.000 119.036 -1.036 1
1 402 . 11 1 1 A 48 48 ASP H H 48 8.810 8.172 0.638 1
1 403 . 11 1 1 A 48 48 ASP HA H 48 4.520 4.373 0.147 1
1 406 . 11 1 1 A 48 48 ASP CA C 48 57.800 57.684 0.116 1
1 407 . 11 1 1 A 48 48 ASP CB C 48 41.700 41.850 -0.150 1
1 408 . 11 1 1 A 48 48 ASP N N 48 124.000 119.178 4.822 1
1 409 . 11 1 1 A 49 49 GLU H H 49 7.310 8.046 -0.736 1
1 410 . 11 1 1 A 49 49 GLU HA H 49 4.070 4.035 0.035 1
1 415 . 11 1 1 A 49 49 GLU CA C 49 59.500 59.344 0.156 1
1 416 . 11 1 1 A 49 49 GLU CB C 49 29.300 29.347 -0.047 1
1 418 . 11 1 1 A 49 49 GLU N N 49 117.600 118.632 -1.032 1
1 419 . 11 1 1 A 50 50 LEU H H 50 7.590 8.522 -0.932 1
1 420 . 11 1 1 A 50 50 LEU HA H 50 4.160 4.175 -0.015 1
1 430 . 11 1 1 A 50 50 LEU CA C 50 58.000 58.105 -0.105 1
1 431 . 11 1 1 A 50 50 LEU CB C 50 41.800 41.479 0.321 1
1 435 . 11 1 1 A 50 50 LEU N N 50 119.500 122.058 -2.558 1
1 436 . 11 1 1 A 51 51 ALA H H 51 8.620 8.489 0.131 1
1 437 . 11 1 1 A 51 51 ALA HA H 51 4.210 4.008 0.202 1
1 441 . 11 1 1 A 51 51 ALA CA C 51 54.900 55.681 -0.781 1
1 442 . 11 1 1 A 51 51 ALA CB C 51 18.600 17.765 0.835 1
1 443 . 11 1 1 A 51 51 ALA N N 51 118.900 120.964 -2.064 1
1 444 . 11 1 1 A 52 52 ALA H H 52 8.410 8.106 0.304 1
1 445 . 11 1 1 A 52 52 ALA HA H 52 4.210 4.119 0.091 1
1 449 . 11 1 1 A 52 52 ALA CA C 52 55.100 55.194 -0.094 1
1 450 . 11 1 1 A 52 52 ALA CB C 52 18.400 17.867 0.533 1
1 451 . 11 1 1 A 52 52 ALA N N 52 119.400 119.865 -0.465 1
1 452 . 11 1 1 A 53 53 ARG H H 53 8.070 8.070 0.000 1
1 453 . 11 1 1 A 53 53 ARG HA H 53 4.130 4.098 0.032 1
1 460 . 11 1 1 A 53 53 ARG CA C 53 59.100 58.661 0.439 1
1 461 . 11 1 1 A 53 53 ARG CB C 53 30.900 30.024 0.876 1
1 464 . 11 1 1 A 53 53 ARG N N 53 119.500 117.988 1.512 1
1 465 . 11 1 1 A 54 54 TRP H H 54 9.270 8.585 0.685 1
1 466 . 11 1 1 A 54 54 TRP HA H 54 3.830 4.235 -0.405 1
1 475 . 11 1 1 A 54 54 TRP CA C 54 62.400 61.441 0.959 1
1 476 . 11 1 1 A 54 54 TRP CB C 54 29.200 29.210 -0.010 1
1 482 . 11 1 1 A 54 54 TRP N N 54 124.000 122.460 1.540 1
1 484 . 11 1 1 A 55 55 ALA H H 55 8.810 8.222 0.588 1
1 485 . 11 1 1 A 55 55 ALA HA H 55 3.220 3.826 -0.606 1
1 489 . 11 1 1 A 55 55 ALA CA C 55 55.100 55.275 -0.175 1
1 490 . 11 1 1 A 55 55 ALA CB C 55 17.500 17.959 -0.459 1
1 491 . 11 1 1 A 55 55 ALA N N 55 120.800 121.560 -0.760 1
1 492 . 11 1 1 A 56 56 GLU H H 56 7.460 8.014 -0.554 1
1 493 . 11 1 1 A 56 56 GLU HA H 56 3.880 3.956 -0.076 1
1 498 . 11 1 1 A 56 56 GLU CA C 56 59.200 59.245 -0.045 1
1 499 . 11 1 1 A 56 56 GLU CB C 56 29.500 29.214 0.286 1
1 501 . 11 1 1 A 56 56 GLU N N 56 114.800 118.856 -4.056 1
1 502 . 11 1 1 A 57 57 GLY H H 57 7.650 8.485 -0.835 1
1 503 . 11 1 1 A 57 57 GLY HA2 H 57 3.490 3.773 -0.283 1
1 504 . 11 1 1 A 57 57 GLY HA3 H 57 3.850 3.801 0.049 1
1 505 . 11 1 1 A 57 57 GLY CA C 57 47.100 46.959 0.141 1
1 506 . 11 1 1 A 57 57 GLY N N 57 106.000 108.315 -2.315 1
1 507 . 11 1 1 A 58 58 ALA H H 58 8.950 7.810 1.140 1
1 508 . 11 1 1 A 58 58 ALA HA H 58 3.640 3.785 -0.145 1
1 512 . 11 1 1 A 58 58 ALA CA C 58 54.500 54.311 0.189 1
1 513 . 11 1 1 A 58 58 ALA CB C 58 16.700 18.059 -1.359 1
1 514 . 11 1 1 A 58 58 ALA N N 58 127.400 124.926 2.474 1
1 515 . 11 1 1 A 59 59 LEU H H 59 8.370 8.138 0.232 1
1 516 . 11 1 1 A 59 59 LEU HA H 59 3.920 3.867 0.053 1
1 526 . 11 1 1 A 59 59 LEU CA C 59 57.300 57.739 -0.439 1
1 527 . 11 1 1 A 59 59 LEU CB C 59 40.800 41.243 -0.443 1
1 531 . 11 1 1 A 59 59 LEU N N 59 116.800 120.142 -3.342 1
1 532 . 11 1 1 A 60 60 GLU H H 60 7.310 7.847 -0.537 1
1 533 . 11 1 1 A 60 60 GLU HA H 60 4.030 3.941 0.089 1
1 538 . 11 1 1 A 60 60 GLU CA C 60 58.800 59.315 -0.515 1
1 539 . 11 1 1 A 60 60 GLU CB C 60 28.900 29.382 -0.482 1
1 541 . 11 1 1 A 60 60 GLU N N 60 119.000 120.540 -1.540 1
1 542 . 11 1 1 A 61 61 LEU H H 61 7.700 7.966 -0.266 1
1 543 . 11 1 1 A 61 61 LEU HA H 61 4.000 4.031 -0.031 1
1 553 . 11 1 1 A 61 61 LEU CA C 61 58.100 57.912 0.188 1
1 554 . 11 1 1 A 61 61 LEU CB C 61 41.400 41.929 -0.529 1
1 558 . 11 1 1 A 61 61 LEU N N 61 120.800 120.059 0.741 1
1 559 . 11 1 1 A 62 62 ILE H H 62 7.510 7.819 -0.309 1
1 560 . 11 1 1 A 62 62 ILE HA H 62 4.040 3.950 0.090 1
1 570 . 11 1 1 A 62 62 ILE CA C 62 63.200 64.081 -0.881 1
1 571 . 11 1 1 A 62 62 ILE CB C 62 37.200 37.416 -0.216 1
1 575 . 11 1 1 A 62 62 ILE N N 62 110.700 114.535 -3.835 1
1 576 . 11 1 1 A 63 63 LYS H H 63 7.520 7.626 -0.106 1
1 577 . 11 1 1 A 63 63 LYS HA H 63 4.070 4.057 0.013 1
1 586 . 11 1 1 A 63 63 LYS CA C 63 58.600 58.989 -0.389 1
1 587 . 11 1 1 A 63 63 LYS CB C 63 32.800 32.131 0.669 1
1 590 . 11 1 1 A 63 63 LYS N N 63 121.100 121.111 -0.011 1
1 591 . 11 1 1 A 64 64 VAL H H 64 7.630 7.255 0.375 1
1 592 . 11 1 1 A 64 64 VAL HA H 64 3.950 3.943 0.007 1
1 600 . 11 1 1 A 64 64 VAL CA C 64 63.900 64.212 -0.312 1
1 601 . 11 1 1 A 64 64 VAL CB C 64 32.400 33.148 -0.748 1
1 604 . 11 1 1 A 64 64 VAL N N 64 115.200 119.063 -3.863 1
1 605 . 11 1 1 A 65 65 ARG H H 65 7.980 7.998 -0.018 1
1 606 . 11 1 1 A 65 65 ARG HA H 65 4.390 4.716 -0.326 1
1 613 . 11 1 1 A 65 65 ARG CA C 65 55.200 53.870 1.330 1
1 614 . 11 1 1 A 65 65 ARG CB C 65 31.500 33.656 -2.156 1
1 617 . 11 1 1 A 65 65 ARG N N 65 118.300 119.001 -0.701 1
1 618 . 11 1 1 A 66 66 ARG HA H 66 4.340 4.792 -0.452 1
1 621 . 11 1 1 A 66 66 ARG CA C 66 54.900 52.376 2.524 1
1 622 . 11 1 1 A 66 66 ARG CB C 66 29.200 31.412 -2.212 1
1 629 . 11 1 1 A 68 68 LYS HA H 68 4.100 4.289 -0.189 1
1 638 . 11 1 1 A 68 68 LYS CA C 68 57.900 57.063 0.837 1
1 639 . 11 1 1 A 68 68 LYS CB C 68 34.100 33.843 0.257 1
1 643 . 11 1 1 A 69 69 TYR HA H 69 4.760 4.631 0.129 1
1 650 . 11 1 1 A 69 69 TYR CA C 69 57.800 59.422 -1.622 1
1 651 . 11 1 1 A 69 69 TYR CB C 69 39.600 40.005 -0.405 1
1 654 . 11 1 1 A 70 70 VAL H H 70 6.950 8.287 -1.337 1
1 655 . 11 1 1 A 70 70 VAL HA H 70 4.720 4.099 0.621 1
1 663 . 11 1 1 A 70 70 VAL CA C 70 60.000 62.794 -2.794 1
1 664 . 11 1 1 A 70 70 VAL CB C 70 34.500 32.795 1.705 1
1 667 . 11 1 1 A 70 70 VAL N N 70 115.400 118.676 -3.276 1
1 668 . 11 1 1 A 71 71 HIS H H 71 7.870 8.493 -0.623 1
1 669 . 11 1 1 A 71 71 HIS HA H 71 4.910 5.031 -0.121 1
1 673 . 11 1 1 A 71 71 HIS CA C 71 54.100 54.208 -0.108 1
1 674 . 11 1 1 A 71 71 HIS CB C 71 33.700 32.385 1.315 1
1 676 . 11 1 1 A 71 71 HIS N N 71 120.600 128.362 -7.762 1
1 677 . 11 1 1 A 72 72 LYS H H 72 8.400 8.474 -0.074 1
1 678 . 11 1 1 A 72 72 LYS HA H 72 3.680 3.852 -0.172 1
1 687 . 11 1 1 A 72 72 LYS CA C 72 60.600 58.975 1.625 1
1 688 . 11 1 1 A 72 72 LYS CB C 72 32.800 31.908 0.892 1
1 692 . 11 1 1 A 73 73 GLU H H 73 9.680 7.942 1.738 1
1 693 . 11 1 1 A 73 73 GLU HA H 73 4.170 4.046 0.124 1
1 698 . 11 1 1 A 73 73 GLU CA C 73 60.000 59.299 0.701 1
1 699 . 11 1 1 A 73 73 GLU CB C 73 28.300 29.135 -0.835 1
1 701 . 11 1 1 A 73 73 GLU N N 73 117.300 119.349 -2.049 1
1 702 . 11 1 1 A 74 74 GLN H H 74 7.360 7.976 -0.616 1
1 703 . 11 1 1 A 74 74 GLN HA H 74 4.180 4.103 0.077 1
1 710 . 11 1 1 A 74 74 GLN CA C 74 58.300 58.842 -0.542 1
1 711 . 11 1 1 A 74 74 GLN CB C 74 28.300 28.356 -0.056 1
1 713 . 11 1 1 A 74 74 GLN N N 74 117.700 119.144 -1.444 1
1 715 . 11 1 1 A 75 75 ILE H H 75 7.530 7.715 -0.185 1
1 716 . 11 1 1 A 75 75 ILE HA H 75 3.780 3.840 -0.060 1
1 726 . 11 1 1 A 75 75 ILE CA C 75 64.100 65.623 -1.523 1
1 727 . 11 1 1 A 75 75 ILE CB C 75 36.800 37.348 -0.548 1
1 731 . 11 1 1 A 75 75 ILE N N 75 120.600 121.594 -0.994 1
1 732 . 11 1 1 A 76 76 GLU H H 76 8.340 7.795 0.545 1
1 733 . 11 1 1 A 76 76 GLU HA H 76 3.970 4.083 -0.113 1
1 738 . 11 1 1 A 76 76 GLU CA C 76 59.200 59.679 -0.479 1
1 739 . 11 1 1 A 76 76 GLU CB C 76 29.700 28.916 0.784 1
1 741 . 11 1 1 A 76 76 GLU N N 76 117.500 121.688 -4.188 1
1 742 . 11 1 1 A 77 77 ALA H H 77 7.390 7.921 -0.531 1
1 743 . 11 1 1 A 77 77 ALA HA H 77 4.370 4.122 0.248 1
1 747 . 11 1 1 A 77 77 ALA CA C 77 53.400 55.166 -1.766 1
1 748 . 11 1 1 A 77 77 ALA CB C 77 18.800 18.445 0.355 1
1 749 . 11 1 1 A 77 77 ALA N N 77 118.600 123.314 -4.714 1
1 750 . 11 1 1 A 78 78 VAL H H 78 7.620 8.341 -0.721 1
1 751 . 11 1 1 A 78 78 VAL HA H 78 3.720 3.500 0.220 1
1 759 . 11 1 1 A 78 78 VAL CA C 78 66.700 67.088 -0.388 1
1 760 . 11 1 1 A 78 78 VAL CB C 78 31.500 31.616 -0.116 1
1 763 . 11 1 1 A 78 78 VAL N N 78 116.800 118.762 -1.962 1
1 764 . 11 1 1 A 79 79 LYS H H 79 8.570 7.970 0.600 1
1 765 . 11 1 1 A 79 79 LYS HA H 79 3.780 4.072 -0.292 1
1 774 . 11 1 1 A 79 79 LYS CA C 79 61.800 59.965 1.835 1
1 775 . 11 1 1 A 79 79 LYS CB C 79 31.500 32.368 -0.868 1
1 779 . 11 1 1 A 79 79 LYS N N 79 119.500 120.416 -0.916 1
1 780 . 11 1 1 A 80 80 ASP H H 80 8.350 7.690 0.660 1
1 781 . 11 1 1 A 80 80 ASP HA H 80 4.490 4.466 0.024 1
1 784 . 11 1 1 A 80 80 ASP CA C 80 57.300 57.684 -0.384 1
1 785 . 11 1 1 A 80 80 ASP CB C 80 40.000 41.180 -1.180 1
1 786 . 11 1 1 A 80 80 ASP N N 80 115.500 119.759 -4.259 1
1 787 . 11 1 1 A 81 81 ASN H H 81 7.690 8.342 -0.652 1
1 788 . 11 1 1 A 81 81 ASN HA H 81 4.540 4.554 -0.014 1
1 793 . 11 1 1 A 81 81 ASN CA C 81 55.500 56.343 -0.843 1
1 794 . 11 1 1 A 81 81 ASN CB C 81 38.600 38.123 0.477 1
1 795 . 11 1 1 A 81 81 ASN N N 81 118.300 116.771 1.529 1
1 797 . 11 1 1 A 82 82 PHE H H 82 9.620 8.691 0.929 1
1 798 . 11 1 1 A 82 82 PHE HA H 82 4.060 4.170 -0.110 1
1 806 . 11 1 1 A 82 82 PHE CA C 82 60.900 61.285 -0.385 1
1 807 . 11 1 1 A 82 82 PHE CB C 82 39.500 39.498 0.002 1
1 811 . 11 1 1 A 82 82 PHE N N 82 121.400 122.988 -1.588 1
1 812 . 11 1 1 A 83 83 LEU H H 83 8.210 8.027 0.183 1
1 813 . 11 1 1 A 83 83 LEU HA H 83 3.900 3.827 0.073 1
1 823 . 11 1 1 A 83 83 LEU CA C 83 57.000 57.729 -0.729 1
1 824 . 11 1 1 A 83 83 LEU CB C 83 40.400 41.139 -0.739 1
1 828 . 11 1 1 A 83 83 LEU N N 83 117.400 118.642 -1.242 1
1 829 . 11 1 1 A 84 84 GLU H H 84 7.660 8.057 -0.397 1
1 830 . 11 1 1 A 84 84 GLU HA H 84 4.150 4.187 -0.037 1
1 835 . 11 1 1 A 84 84 GLU CA C 84 59.500 59.073 0.427 1
1 836 . 11 1 1 A 84 84 GLU CB C 84 28.700 29.257 -0.557 1
1 838 . 11 1 1 A 84 84 GLU N N 84 121.500 120.741 0.759 1
1 839 . 11 1 1 A 85 85 LEU H H 85 8.100 8.350 -0.250 1
1 840 . 11 1 1 A 85 85 LEU HA H 85 3.600 4.146 -0.546 1
1 850 . 11 1 1 A 85 85 LEU CA C 85 59.300 58.451 0.849 1
1 851 . 11 1 1 A 85 85 LEU CB C 85 41.800 41.566 0.234 1
1 855 . 11 1 1 A 85 85 LEU N N 85 121.700 121.457 0.243 1
1 856 . 11 1 1 A 86 86 VAL H H 86 8.220 7.848 0.372 1
1 857 . 11 1 1 A 86 86 VAL HA H 86 3.100 3.553 -0.453 1
1 865 . 11 1 1 A 86 86 VAL CA C 86 67.200 66.992 0.208 1
1 866 . 11 1 1 A 86 86 VAL CB C 86 31.500 31.251 0.249 1
1 869 . 11 1 1 A 86 86 VAL N N 86 118.400 119.130 -0.730 1
1 870 . 11 1 1 A 87 87 LEU H H 87 8.450 8.026 0.424 1
1 871 . 11 1 1 A 87 87 LEU HA H 87 3.960 3.949 0.011 1
1 881 . 11 1 1 A 87 87 LEU CA C 87 59.100 58.618 0.482 1
1 882 . 11 1 1 A 87 87 LEU CB C 87 42.300 41.919 0.381 1
1 886 . 11 1 1 A 87 87 LEU N N 87 120.200 120.359 -0.159 1
1 887 . 11 1 1 A 88 88 GLN H H 88 9.350 8.726 0.624 1
1 888 . 11 1 1 A 88 88 GLN HA H 88 4.180 3.968 0.212 1
1 895 . 11 1 1 A 88 88 GLN CA C 88 57.300 59.177 -1.877 1
1 896 . 11 1 1 A 88 88 GLN CB C 88 25.400 28.308 -2.908 1
1 898 . 11 1 1 A 88 88 GLN N N 88 114.900 118.245 -3.345 1
1 900 . 11 1 1 A 89 89 SER H H 89 8.680 7.666 1.014 1
1 901 . 11 1 1 A 89 89 SER HA H 89 4.080 3.760 0.320 1
1 904 . 11 1 1 A 89 89 SER CA C 89 61.900 61.940 -0.040 1
1 905 . 11 1 1 A 89 89 SER CB C 89 62.200 62.463 -0.263 1
1 906 . 11 1 1 A 89 89 SER N N 89 117.500 115.535 1.965 1
1 907 . 11 1 1 A 90 90 TYR H H 90 7.330 7.382 -0.052 1
1 908 . 11 1 1 A 90 90 TYR HA H 90 4.320 4.025 0.295 1
1 915 . 11 1 1 A 90 90 TYR CA C 90 59.700 60.304 -0.604 1
1 916 . 11 1 1 A 90 90 TYR CB C 90 41.400 38.386 3.014 1
1 919 . 11 1 1 A 90 90 TYR N N 90 116.000 119.120 -3.120 1
1 920 . 11 1 1 A 91 91 VAL H H 91 7.730 7.475 0.255 1
1 921 . 11 1 1 A 91 91 VAL HA H 91 4.010 4.232 -0.222 1
1 929 . 11 1 1 A 91 91 VAL CA C 91 62.600 61.888 0.712 1
1 930 . 11 1 1 A 91 91 VAL CB C 91 32.700 32.058 0.642 1
1 933 . 11 1 1 A 91 91 VAL N N 91 110.500 112.888 -2.388 1
1 934 . 11 1 1 A 92 92 HIS H H 92 8.600 7.657 0.943 1
1 935 . 11 1 1 A 92 92 HIS HA H 92 4.280 4.293 -0.013 1
1 939 . 11 1 1 A 92 92 HIS CA C 92 56.000 57.122 -1.122 1
1 940 . 11 1 1 A 92 92 HIS CB C 92 29.200 26.675 2.525 1
1 942 . 11 1 1 A 92 92 HIS N N 92 114.500 116.134 -1.634 1
1 943 . 11 1 1 A 93 93 HIS H H 93 8.350 7.977 0.373 1
1 944 . 11 1 1 A 93 93 HIS HA H 93 4.780 4.422 0.358 1
1 948 . 11 1 1 A 93 93 HIS CA C 93 57.600 57.742 -0.142 1
1 949 . 11 1 1 A 93 93 HIS CB C 93 31.900 30.590 1.310 1
1 951 . 11 1 1 A 93 93 HIS N N 93 118.200 117.591 0.609 1
1 952 . 11 1 1 A 94 94 ILE H H 94 7.470 7.552 -0.082 1
1 953 . 11 1 1 A 94 94 ILE HA H 94 4.370 4.429 -0.059 1
1 963 . 11 1 1 A 94 94 ILE CA C 94 60.900 60.032 0.868 1
1 964 . 11 1 1 A 94 94 ILE CB C 94 39.600 40.130 -0.530 1
1 968 . 11 1 1 A 94 94 ILE N N 94 111.400 120.497 -9.097 1
1 969 . 11 1 1 A 95 95 HIS H H 95 6.990 8.977 -1.987 1
1 970 . 11 1 1 A 96 96 LYS HA H 96 4.040 4.521 -0.481 1
1 977 . 11 1 1 A 97 97 LYS HA H 97 4.130 4.023 0.107 1
1 986 . 11 1 1 A 97 97 LYS CA C 97 59.400 59.709 -0.309 1
1 987 . 11 1 1 A 97 97 LYS CB C 97 32.000 32.536 -0.536 1
1 991 . 11 1 1 A 98 98 ARG H H 98 7.150 7.981 -0.831 1
1 992 . 11 1 1 A 98 98 ARG HA H 98 4.150 4.062 0.088 1
1 999 . 11 1 1 A 98 98 ARG CA C 98 57.900 59.343 -1.443 1
1 1000 . 11 1 1 A 98 98 ARG CB C 98 28.600 29.738 -1.138 1
1 1003 . 11 1 1 A 98 98 ARG N N 98 118.500 118.263 0.237 1
1 1004 . 11 1 1 A 99 99 PHE H H 99 8.260 7.897 0.363 1
1 1005 . 11 1 1 A 99 99 PHE HA H 99 3.450 4.153 -0.703 1
1 1013 . 11 1 1 A 99 99 PHE CA C 99 62.700 61.346 1.354 1
1 1014 . 11 1 1 A 99 99 PHE CB C 99 39.200 38.988 0.212 1
1 1018 . 11 1 1 A 99 99 PHE N N 99 119.100 120.606 -1.506 1
1 1019 . 11 1 1 A 100 100 LYS H H 100 8.500 8.221 0.279 1
1 1020 . 11 1 1 A 100 100 LYS HA H 100 3.980 3.671 0.309 1
1 1029 . 11 1 1 A 100 100 LYS CA C 100 59.300 58.997 0.303 1
1 1030 . 11 1 1 A 100 100 LYS CB C 100 31.900 31.964 -0.064 1
1 1034 . 11 1 1 A 100 100 LYS N N 100 121.700 118.046 3.654 1
1 1035 . 11 1 1 A 101 101 ASP H H 101 8.150 7.863 0.287 1
1 1036 . 11 1 1 A 101 101 ASP HA H 101 4.290 4.390 -0.100 1
1 1039 . 11 1 1 A 101 101 ASP CA C 101 57.300 57.807 -0.507 1
1 1040 . 11 1 1 A 101 101 ASP CB C 101 39.900 41.950 -2.050 1
1 1041 . 11 1 1 A 101 101 ASP N N 101 119.800 118.983 0.817 1
1 1042 . 11 1 1 A 102 102 ILE H H 102 8.220 8.267 -0.047 1
1 1043 . 11 1 1 A 102 102 ILE HA H 102 3.690 3.530 0.160 1
1 1053 . 11 1 1 A 102 102 ILE CA C 102 65.000 65.187 -0.187 1
1 1054 . 11 1 1 A 102 102 ILE CB C 102 37.700 37.589 0.111 1
1 1058 . 11 1 1 A 102 102 ILE N N 102 118.800 119.126 -0.326 1
1 1059 . 11 1 1 A 103 103 THR H H 103 7.930 8.113 -0.183 1
1 1060 . 11 1 1 A 103 103 THR HA H 103 3.480 3.650 -0.170 1
1 1066 . 11 1 1 A 103 103 THR CA C 103 67.300 66.724 0.576 1
1 1067 . 11 1 1 A 103 103 THR CB C 103 67.700 68.463 -0.763 1
1 1069 . 11 1 1 A 103 103 THR N N 103 117.900 116.848 1.052 1
1 1070 . 11 1 1 A 104 104 GLU H H 104 8.470 8.515 -0.045 1
1 1071 . 11 1 1 A 104 104 GLU HA H 104 3.920 3.894 0.026 1
1 1076 . 11 1 1 A 104 104 GLU CA C 104 59.500 59.615 -0.115 1
1 1077 . 11 1 1 A 104 104 GLU CB C 104 29.200 29.423 -0.223 1
1 1079 . 11 1 1 A 104 104 GLU N N 104 118.900 120.314 -1.414 1
1 1080 . 11 1 1 A 105 105 SER H H 105 7.840 8.151 -0.311 1
1 1081 . 11 1 1 A 105 105 SER HA H 105 4.290 4.259 0.031 1
1 1084 . 11 1 1 A 105 105 SER CA C 105 60.900 61.467 -0.567 1
1 1085 . 11 1 1 A 105 105 SER CB C 105 62.700 62.856 -0.156 1
1 1086 . 11 1 1 A 105 105 SER N N 105 114.200 115.900 -1.700 1
1 1087 . 11 1 1 A 106 106 VAL H H 106 8.290 7.998 0.292 1
1 1088 . 11 1 1 A 106 106 VAL HA H 106 3.690 3.692 -0.002 1
1 1096 . 11 1 1 A 106 106 VAL CA C 106 66.300 66.973 -0.673 1
1 1097 . 11 1 1 A 106 106 VAL CB C 106 31.900 31.552 0.348 1
1 1100 . 11 1 1 A 106 106 VAL N N 106 122.100 121.035 1.065 1
1 1101 . 11 1 1 A 107 107 LEU H H 107 8.560 8.682 -0.122 1
1 1102 . 11 1 1 A 107 107 LEU HA H 107 3.900 3.954 -0.054 1
1 1112 . 11 1 1 A 107 107 LEU CA C 107 58.300 58.121 0.179 1
1 1113 . 11 1 1 A 107 107 LEU CB C 107 41.200 41.841 -0.641 1
1 1117 . 11 1 1 A 107 107 LEU N N 107 117.500 119.463 -1.963 1
1 1118 . 11 1 1 A 108 108 TYR H H 108 8.450 8.678 -0.228 1
1 1119 . 11 1 1 A 108 108 TYR HA H 108 4.170 4.074 0.096 1
1 1126 . 11 1 1 A 108 108 TYR CA C 108 61.800 62.085 -0.285 1
1 1127 . 11 1 1 A 108 108 TYR CB C 108 37.900 38.454 -0.554 1
1 1130 . 11 1 1 A 108 108 TYR N N 108 119.000 119.752 -0.752 1
1 1131 . 11 1 1 A 109 109 THR H H 109 7.800 7.760 0.040 1
1 1132 . 11 1 1 A 109 109 THR HA H 109 3.860 4.174 -0.314 1
1 1137 . 11 1 1 A 109 109 THR CA C 109 66.800 67.272 -0.472 1
1 1138 . 11 1 1 A 109 109 THR CB C 109 67.800 68.067 -0.267 1
1 1140 . 11 1 1 A 109 109 THR N N 109 116.500 115.363 1.137 1
1 1141 . 11 1 1 A 110 110 LEU H H 110 8.510 8.637 -0.127 1
1 1142 . 11 1 1 A 110 110 LEU HA H 110 3.900 3.960 -0.060 1
1 1152 . 11 1 1 A 110 110 LEU CA C 110 58.500 57.832 0.668 1
1 1153 . 11 1 1 A 110 110 LEU CB C 110 41.300 41.638 -0.338 1
1 1157 . 11 1 1 A 110 110 LEU N N 110 121.000 120.901 0.099 1
1 1158 . 11 1 1 A 111 111 HIS H H 111 8.440 8.487 -0.047 1
1 1159 . 11 1 1 A 111 111 HIS HA H 111 4.000 4.168 -0.168 1
1 1163 . 11 1 1 A 111 111 HIS CA C 111 60.900 60.013 0.887 1
1 1164 . 11 1 1 A 111 111 HIS CB C 111 29.700 29.516 0.184 1
1 1166 . 11 1 1 A 111 111 HIS N N 111 116.300 117.360 -1.060 1
1 1167 . 11 1 1 A 112 112 ALA H H 112 7.920 7.931 -0.011 1
1 1168 . 11 1 1 A 112 112 ALA HA H 112 4.130 3.798 0.332 1
1 1172 . 11 1 1 A 112 112 ALA CA C 112 55.000 55.023 -0.023 1
1 1173 . 11 1 1 A 112 112 ALA CB C 112 17.600 18.401 -0.801 1
1 1174 . 11 1 1 A 112 112 ALA N N 112 122.900 122.052 0.848 1
1 1175 . 11 1 1 A 113 113 VAL H H 113 8.300 8.346 -0.046 1
1 1176 . 11 1 1 A 113 113 VAL HA H 113 3.540 3.464 0.076 1
1 1184 . 11 1 1 A 113 113 VAL CA C 113 67.200 66.758 0.442 1
1 1185 . 11 1 1 A 113 113 VAL CB C 113 31.000 31.593 -0.593 1
1 1188 . 11 1 1 A 113 113 VAL N N 113 119.000 118.694 0.306 1
1 1189 . 11 1 1 A 114 114 LYS H H 114 8.220 8.287 -0.067 1
1 1190 . 11 1 1 A 114 114 LYS HA H 114 3.810 3.958 -0.148 1
1 1199 . 11 1 1 A 114 114 LYS CA C 114 60.800 59.862 0.938 1
1 1200 . 11 1 1 A 114 114 LYS CB C 114 31.500 32.108 -0.608 1
1 1204 . 11 1 1 A 114 114 LYS N N 114 120.600 120.553 0.047 1
1 1205 . 11 1 1 A 115 115 ASP H H 115 8.180 8.180 0.000 1
1 1206 . 11 1 1 A 115 115 ASP HA H 115 4.300 4.311 -0.011 1
1 1209 . 11 1 1 A 115 115 ASP CA C 115 56.800 57.714 -0.914 1
1 1210 . 11 1 1 A 115 115 ASP CB C 115 39.600 41.887 -2.287 1
1 1211 . 11 1 1 A 115 115 ASP N N 115 118.800 119.241 -0.441 1
1 1212 . 11 1 1 A 116 116 GLU H H 116 7.990 8.124 -0.134 1
1 1213 . 11 1 1 A 116 116 GLU HA H 116 4.060 4.147 -0.087 1
1 1218 . 11 1 1 A 116 116 GLU CA C 116 58.400 59.106 -0.706 1
1 1219 . 11 1 1 A 116 116 GLU CB C 116 29.000 29.723 -0.723 1
1 1221 . 11 1 1 A 116 116 GLU N N 116 120.800 118.676 2.124 1
1 1222 . 11 1 1 A 117 117 ILE H H 117 8.370 8.550 -0.180 1
1 1223 . 11 1 1 A 117 117 ILE HA H 117 3.610 3.678 -0.068 1
1 1233 . 11 1 1 A 117 117 ILE CA C 117 64.800 65.776 -0.976 1
1 1234 . 11 1 1 A 117 117 ILE CB C 117 38.600 38.406 0.194 1
1 1238 . 11 1 1 A 117 117 ILE N N 117 119.700 121.078 -1.378 1
1 1239 . 11 1 1 A 118 118 ALA H H 118 7.720 8.641 -0.921 1
1 1240 . 11 1 1 A 118 118 ALA HA H 118 4.250 3.983 0.267 1
1 1244 . 11 1 1 A 118 118 ALA CA C 118 52.900 54.968 -2.068 1
1 1245 . 11 1 1 A 118 118 ALA CB C 118 18.700 18.156 0.544 1
1 1246 . 11 1 1 A 118 118 ALA N N 118 119.900 121.797 -1.897 1
1 1247 . 11 1 1 A 119 119 ARG H H 119 7.450 8.146 -0.696 1
1 1248 . 11 1 1 A 119 119 ARG HA H 119 4.110 4.044 0.066 1
1 1255 . 11 1 1 A 119 119 ARG CA C 119 57.600 59.541 -1.941 1
1 1256 . 11 1 1 A 119 119 ARG CB C 119 31.000 29.828 1.172 1
1 1259 . 11 1 1 A 119 119 ARG N N 119 118.400 118.714 -0.314 1
1 1260 . 11 1 1 A 120 120 GLU H H 120 8.890 8.464 0.426 1
1 1261 . 11 1 1 A 120 120 GLU HA H 120 4.280 4.244 0.036 1
1 1266 . 11 1 1 A 120 120 GLU CA C 120 57.600 58.835 -1.235 1
1 1267 . 11 1 1 A 120 120 GLU CB C 120 30.100 30.238 -0.138 1
1 1269 . 11 1 1 A 120 120 GLU N N 120 114.900 119.101 -4.201 1
1 1 . 12 1 1 A 6 6 LEU HA H 6 4.230 4.085 0.145 1
1 11 . 12 1 1 A 6 6 LEU CA C 6 58.000 58.342 -0.342 1
1 12 . 12 1 1 A 6 6 LEU CB C 6 40.900 41.347 -0.447 1
1 16 . 12 1 1 A 7 7 LEU H H 7 8.970 9.231 -0.261 1
1 17 . 12 1 1 A 7 7 LEU HA H 7 3.970 4.150 -0.180 1
1 27 . 12 1 1 A 7 7 LEU CA C 7 58.500 58.217 0.283 1
1 28 . 12 1 1 A 7 7 LEU CB C 7 41.000 41.781 -0.781 1
1 32 . 12 1 1 A 7 7 LEU N N 7 124.300 119.875 4.425 1
1 33 . 12 1 1 A 8 8 GLU H H 8 7.910 8.712 -0.802 1
1 34 . 12 1 1 A 8 8 GLU HA H 8 4.040 3.943 0.097 1
1 39 . 12 1 1 A 8 8 GLU CA C 8 59.500 59.833 -0.333 1
1 40 . 12 1 1 A 8 8 GLU CB C 8 29.200 29.217 -0.017 1
1 42 . 12 1 1 A 8 8 GLU N N 8 119.000 119.199 -0.199 1
1 43 . 12 1 1 A 9 9 MET H H 9 8.520 8.181 0.339 1
1 44 . 12 1 1 A 9 9 MET HA H 9 4.030 4.183 -0.153 1
1 52 . 12 1 1 A 9 9 MET CA C 9 59.900 58.211 1.689 1
1 53 . 12 1 1 A 9 9 MET CB C 9 36.000 33.434 2.566 1
1 56 . 12 1 1 A 9 9 MET N N 9 117.500 119.351 -1.851 1
1 57 . 12 1 1 A 10 10 THR H H 10 8.470 7.501 0.969 1
1 58 . 12 1 1 A 10 10 THR HA H 10 3.550 3.726 -0.176 1
1 64 . 12 1 1 A 10 10 THR CA C 10 67.200 67.441 -0.241 1
1 65 . 12 1 1 A 10 10 THR CB C 10 68.500 68.382 0.118 1
1 67 . 12 1 1 A 10 10 THR N N 10 116.600 115.700 0.900 1
1 68 . 12 1 1 A 11 11 GLU H H 11 8.500 9.138 -0.638 1
1 69 . 12 1 1 A 11 11 GLU HA H 11 3.910 3.906 0.004 1
1 74 . 12 1 1 A 11 11 GLU CA C 11 59.400 59.907 -0.507 1
1 75 . 12 1 1 A 11 11 GLU CB C 11 29.200 29.271 -0.071 1
1 77 . 12 1 1 A 11 11 GLU N N 11 119.400 119.602 -0.202 1
1 78 . 12 1 1 A 12 12 GLN H H 12 8.140 8.218 -0.078 1
1 79 . 12 1 1 A 12 12 GLN HA H 12 4.100 4.092 0.008 1
1 86 . 12 1 1 A 12 12 GLN CA C 12 59.000 58.625 0.375 1
1 87 . 12 1 1 A 12 12 GLN CB C 12 27.800 28.334 -0.534 1
1 89 . 12 1 1 A 12 12 GLN N N 12 120.400 119.862 0.538 1
1 91 . 12 1 1 A 13 13 MET H H 13 8.120 8.176 -0.056 1
1 92 . 12 1 1 A 13 13 MET HA H 13 3.710 4.196 -0.486 1
1 100 . 12 1 1 A 13 13 MET CA C 13 59.600 58.854 0.746 1
1 101 . 12 1 1 A 13 13 MET CB C 13 33.300 32.527 0.773 1
1 104 . 12 1 1 A 13 13 MET N N 13 118.500 117.888 0.612 1
1 105 . 12 1 1 A 14 14 ILE H H 14 8.040 8.139 -0.099 1
1 106 . 12 1 1 A 14 14 ILE HA H 14 3.270 3.569 -0.299 1
1 116 . 12 1 1 A 14 14 ILE CA C 14 65.700 65.218 0.482 1
1 117 . 12 1 1 A 14 14 ILE CB C 14 38.000 37.876 0.124 1
1 121 . 12 1 1 A 14 14 ILE N N 14 119.400 119.410 -0.010 1
1 122 . 12 1 1 A 15 15 GLU H H 15 7.700 8.047 -0.347 1
1 123 . 12 1 1 A 15 15 GLU HA H 15 4.110 4.005 0.105 1
1 128 . 12 1 1 A 15 15 GLU CA C 15 59.300 59.318 -0.018 1
1 129 . 12 1 1 A 15 15 GLU CB C 15 29.200 29.592 -0.392 1
1 131 . 12 1 1 A 15 15 GLU N N 15 119.000 121.118 -2.118 1
1 132 . 12 1 1 A 16 16 VAL H H 16 8.410 8.630 -0.220 1
1 133 . 12 1 1 A 16 16 VAL HA H 16 3.530 3.695 -0.165 1
1 141 . 12 1 1 A 16 16 VAL CA C 16 66.600 66.316 0.284 1
1 142 . 12 1 1 A 16 16 VAL CB C 16 31.900 31.589 0.311 1
1 145 . 12 1 1 A 16 16 VAL N N 16 119.500 120.262 -0.762 1
1 146 . 12 1 1 A 17 17 ALA H H 17 8.600 8.296 0.304 1
1 147 . 12 1 1 A 17 17 ALA HA H 17 4.080 3.946 0.134 1
1 151 . 12 1 1 A 17 17 ALA CA C 17 54.700 55.904 -1.204 1
1 152 . 12 1 1 A 17 17 ALA CB C 17 17.700 18.395 -0.695 1
1 153 . 12 1 1 A 17 17 ALA N N 17 123.100 122.210 0.890 1
1 154 . 12 1 1 A 18 18 GLU H H 18 8.850 8.159 0.691 1
1 155 . 12 1 1 A 18 18 GLU HA H 18 3.990 3.992 -0.002 1
1 160 . 12 1 1 A 18 18 GLU CA C 18 59.500 59.483 0.017 1
1 161 . 12 1 1 A 18 18 GLU CB C 18 29.700 29.547 0.153 1
1 163 . 12 1 1 A 18 18 GLU N N 18 117.900 117.867 0.033 1
1 164 . 12 1 1 A 19 19 LYS H H 19 8.750 8.351 0.399 1
1 165 . 12 1 1 A 19 19 LYS HA H 19 4.150 4.077 0.073 1
1 174 . 12 1 1 A 19 19 LYS CA C 19 58.700 59.176 -0.476 1
1 175 . 12 1 1 A 19 19 LYS CB C 19 31.900 32.303 -0.403 1
1 179 . 12 1 1 A 19 19 LYS N N 19 119.200 118.933 0.267 1
1 180 . 12 1 1 A 20 20 GLY H H 20 8.640 8.782 -0.142 1
1 181 . 12 1 1 A 20 20 GLY HA2 H 20 3.790 3.874 -0.084 1
1 182 . 12 1 1 A 20 20 GLY HA3 H 20 3.500 3.880 -0.380 1
1 183 . 12 1 1 A 20 20 GLY CA C 20 46.400 47.156 -0.756 1
1 184 . 12 1 1 A 20 20 GLY N N 20 110.300 108.639 1.661 1
1 185 . 12 1 1 A 21 21 ALA H H 21 8.550 8.225 0.325 1
1 186 . 12 1 1 A 21 21 ALA HA H 21 4.490 4.602 -0.112 1
1 190 . 12 1 1 A 21 21 ALA CA C 21 55.100 54.909 0.191 1
1 191 . 12 1 1 A 21 21 ALA CB C 21 17.300 18.981 -1.681 1
1 192 . 12 1 1 A 21 21 ALA N N 21 125.300 124.815 0.485 1
1 193 . 12 1 1 A 22 22 ASP H H 22 7.660 8.133 -0.473 1
1 194 . 12 1 1 A 22 22 ASP HA H 22 4.460 4.358 0.102 1
1 197 . 12 1 1 A 22 22 ASP CA C 22 56.900 57.310 -0.410 1
1 198 . 12 1 1 A 22 22 ASP CB C 22 40.500 41.068 -0.568 1
1 199 . 12 1 1 A 22 22 ASP N N 22 119.000 117.921 1.079 1
1 200 . 12 1 1 A 23 23 ARG H H 23 8.110 8.195 -0.085 1
1 201 . 12 1 1 A 23 23 ARG HA H 23 4.000 3.905 0.095 1
1 208 . 12 1 1 A 23 23 ARG CA C 23 59.200 58.793 0.407 1
1 209 . 12 1 1 A 23 23 ARG CB C 23 30.700 29.808 0.892 1
1 212 . 12 1 1 A 23 23 ARG N N 23 121.800 120.084 1.716 1
1 213 . 12 1 1 A 24 24 TYR H H 24 8.460 8.467 -0.007 1
1 214 . 12 1 1 A 24 24 TYR HA H 24 3.780 3.963 -0.183 1
1 221 . 12 1 1 A 24 24 TYR CA C 24 60.900 61.723 -0.823 1
1 222 . 12 1 1 A 24 24 TYR CB C 24 39.400 38.076 1.324 1
1 225 . 12 1 1 A 24 24 TYR N N 24 120.400 120.175 0.225 1
1 226 . 12 1 1 A 25 25 GLN H H 25 7.540 7.840 -0.300 1
1 227 . 12 1 1 A 25 25 GLN HA H 25 3.750 3.814 -0.064 1
1 232 . 12 1 1 A 25 25 GLN CA C 25 57.800 58.467 -0.667 1
1 233 . 12 1 1 A 25 25 GLN CB C 25 28.400 28.170 0.230 1
1 235 . 12 1 1 A 25 25 GLN N N 25 117.500 118.162 -0.662 1
1 236 . 12 1 1 A 26 26 GLU H H 26 7.980 7.672 0.308 1
1 237 . 12 1 1 A 26 26 GLU HA H 26 4.010 4.106 -0.096 1
1 242 . 12 1 1 A 26 26 GLU CA C 26 57.900 58.274 -0.374 1
1 243 . 12 1 1 A 26 26 GLU CB C 26 29.700 29.518 0.182 1
1 245 . 12 1 1 A 26 26 GLU N N 26 117.900 118.056 -0.156 1
1 246 . 12 1 1 A 32 32 HIS HA H 32 4.620 5.075 -0.455 1
1 249 . 12 1 1 A 32 32 HIS CA C 32 56.900 54.916 1.984 1
1 250 . 12 1 1 A 32 32 HIS CB C 32 64.000 31.899 32.101 1
1 251 . 12 1 1 A 33 33 SER HA H 33 4.610 4.874 -0.264 1
1 254 . 12 1 1 A 33 33 SER CA C 33 56.900 58.632 -1.732 1
1 255 . 12 1 1 A 33 33 SER CB C 33 64.000 64.277 -0.277 1
1 256 . 12 1 1 A 34 34 TYR HA H 34 4.630 5.036 -0.406 1
1 263 . 12 1 1 A 34 34 TYR CA C 34 56.900 56.938 -0.038 1
1 264 . 12 1 1 A 34 34 TYR CB C 34 40.700 41.041 -0.341 1
1 267 . 12 1 1 A 36 36 PHE HA H 36 3.910 4.737 -0.827 1
1 275 . 12 1 1 A 36 36 PHE CA C 36 62.000 56.956 5.044 1
1 276 . 12 1 1 A 36 36 PHE CB C 36 39.200 37.830 1.370 1
1 280 . 12 1 1 A 37 37 PHE H H 37 8.090 8.667 -0.577 1
1 281 . 12 1 1 A 37 37 PHE HA H 37 3.980 4.766 -0.786 1
1 289 . 12 1 1 A 37 37 PHE CA C 37 61.600 58.031 3.569 1
1 290 . 12 1 1 A 37 37 PHE CB C 37 38.600 41.693 -3.093 1
1 294 . 12 1 1 A 37 37 PHE N N 37 116.200 123.695 -7.495 1
1 295 . 12 1 1 A 38 38 GLU H H 38 9.000 7.501 1.499 1
1 296 . 12 1 1 A 38 38 GLU HA H 38 4.130 3.660 0.470 1
1 301 . 12 1 1 A 38 38 GLU CA C 38 57.700 59.357 -1.657 1
1 302 . 12 1 1 A 38 38 GLU CB C 38 30.600 28.922 1.678 1
1 304 . 12 1 1 A 38 38 GLU N N 38 116.000 122.987 -6.987 1
1 305 . 12 1 1 A 39 39 THR H H 39 7.390 8.372 -0.982 1
1 306 . 12 1 1 A 39 39 THR HA H 39 4.280 4.361 -0.081 1
1 311 . 12 1 1 A 39 39 THR CA C 39 64.100 62.599 1.501 1
1 312 . 12 1 1 A 39 39 THR CB C 39 70.000 69.451 0.549 1
1 314 . 12 1 1 A 39 39 THR N N 39 110.400 112.730 -2.330 1
1 315 . 12 1 1 A 40 40 ILE H H 40 7.250 7.284 -0.034 1
1 316 . 12 1 1 A 40 40 ILE HA H 40 2.570 3.985 -1.415 1
1 326 . 12 1 1 A 40 40 ILE CA C 40 65.800 62.895 2.905 1
1 327 . 12 1 1 A 40 40 ILE CB C 40 37.300 38.664 -1.364 1
1 331 . 12 1 1 A 40 40 ILE N N 40 120.900 120.743 0.157 1
1 332 . 12 1 1 A 41 41 LYS H H 41 8.400 8.259 0.141 1
1 333 . 12 1 1 A 41 41 LYS HA H 41 3.650 4.166 -0.516 1
1 336 . 12 1 1 A 41 41 LYS CA C 41 59.000 61.510 -2.510 1
1 337 . 12 1 1 A 41 41 LYS CB C 41 29.700 30.512 -0.812 1
1 338 . 12 1 1 A 41 41 LYS N N 41 118.800 121.685 -2.885 1
1 339 . 12 1 1 A 42 42 PRO HA H 42 4.280 4.406 -0.126 1
1 346 . 12 1 1 A 42 42 PRO CA C 42 65.300 65.001 0.299 1
1 347 . 12 1 1 A 42 42 PRO CB C 42 30.200 31.235 -1.035 1
1 350 . 12 1 1 A 43 43 ALA H H 43 6.790 8.133 -1.343 1
1 351 . 12 1 1 A 43 43 ALA HA H 43 4.190 4.104 0.086 1
1 355 . 12 1 1 A 43 43 ALA CA C 43 54.900 55.110 -0.210 1
1 356 . 12 1 1 A 43 43 ALA CB C 43 18.000 18.470 -0.470 1
1 357 . 12 1 1 A 43 43 ALA N N 43 119.500 119.898 -0.398 1
1 358 . 12 1 1 A 44 44 VAL H H 44 8.380 7.519 0.861 1
1 359 . 12 1 1 A 44 44 VAL HA H 44 3.460 3.564 -0.104 1
1 367 . 12 1 1 A 44 44 VAL CA C 44 67.200 66.513 0.687 1
1 368 . 12 1 1 A 44 44 VAL CB C 44 31.500 31.716 -0.216 1
1 371 . 12 1 1 A 44 44 VAL N N 44 120.500 118.593 1.907 1
1 372 . 12 1 1 A 45 45 GLU H H 45 8.410 8.523 -0.113 1
1 373 . 12 1 1 A 45 45 GLU HA H 45 4.060 3.954 0.106 1
1 378 . 12 1 1 A 45 45 GLU CA C 45 59.600 60.073 -0.473 1
1 379 . 12 1 1 A 45 45 GLU CB C 45 29.300 29.488 -0.188 1
1 381 . 12 1 1 A 45 45 GLU N N 45 118.400 118.660 -0.260 1
1 382 . 12 1 1 A 46 46 GLU H H 46 8.390 7.932 0.458 1
1 383 . 12 1 1 A 46 46 GLU HA H 46 4.200 4.076 0.124 1
1 388 . 12 1 1 A 46 46 GLU CA C 46 58.900 59.351 -0.451 1
1 389 . 12 1 1 A 46 46 GLU CB C 46 29.300 29.128 0.172 1
1 391 . 12 1 1 A 46 46 GLU N N 46 118.800 120.035 -1.235 1
1 392 . 12 1 1 A 47 47 ASN H H 47 7.700 8.321 -0.621 1
1 393 . 12 1 1 A 47 47 ASN HA H 47 4.900 4.680 0.220 1
1 398 . 12 1 1 A 47 47 ASN CA C 47 57.100 55.855 1.245 1
1 399 . 12 1 1 A 47 47 ASN CB C 47 39.000 38.096 0.904 1
1 400 . 12 1 1 A 47 47 ASN N N 47 118.000 118.154 -0.154 1
1 402 . 12 1 1 A 48 48 ASP H H 48 8.810 8.650 0.160 1
1 403 . 12 1 1 A 48 48 ASP HA H 48 4.520 4.362 0.158 1
1 406 . 12 1 1 A 48 48 ASP CA C 48 57.800 57.685 0.115 1
1 407 . 12 1 1 A 48 48 ASP CB C 48 41.700 41.453 0.247 1
1 408 . 12 1 1 A 48 48 ASP N N 48 124.000 119.385 4.615 1
1 409 . 12 1 1 A 49 49 GLU H H 49 7.310 8.138 -0.828 1
1 410 . 12 1 1 A 49 49 GLU HA H 49 4.070 4.062 0.008 1
1 415 . 12 1 1 A 49 49 GLU CA C 49 59.500 59.359 0.141 1
1 416 . 12 1 1 A 49 49 GLU CB C 49 29.300 29.355 -0.055 1
1 418 . 12 1 1 A 49 49 GLU N N 49 117.600 118.887 -1.287 1
1 419 . 12 1 1 A 50 50 LEU H H 50 7.590 8.445 -0.855 1
1 420 . 12 1 1 A 50 50 LEU HA H 50 4.160 4.011 0.149 1
1 430 . 12 1 1 A 50 50 LEU CA C 50 58.000 57.944 0.056 1
1 431 . 12 1 1 A 50 50 LEU CB C 50 41.800 41.559 0.241 1
1 435 . 12 1 1 A 50 50 LEU N N 50 119.500 121.125 -1.625 1
1 436 . 12 1 1 A 51 51 ALA H H 51 8.620 8.634 -0.014 1
1 437 . 12 1 1 A 51 51 ALA HA H 51 4.210 4.001 0.209 1
1 441 . 12 1 1 A 51 51 ALA CA C 51 54.900 55.665 -0.765 1
1 442 . 12 1 1 A 51 51 ALA CB C 51 18.600 17.988 0.612 1
1 443 . 12 1 1 A 51 51 ALA N N 51 118.900 120.601 -1.701 1
1 444 . 12 1 1 A 52 52 ALA H H 52 8.410 8.640 -0.230 1
1 445 . 12 1 1 A 52 52 ALA HA H 52 4.210 4.091 0.119 1
1 449 . 12 1 1 A 52 52 ALA CA C 52 55.100 55.394 -0.294 1
1 450 . 12 1 1 A 52 52 ALA CB C 52 18.400 18.250 0.150 1
1 451 . 12 1 1 A 52 52 ALA N N 52 119.400 121.455 -2.055 1
1 452 . 12 1 1 A 53 53 ARG H H 53 8.070 8.076 -0.006 1
1 453 . 12 1 1 A 53 53 ARG HA H 53 4.130 4.243 -0.113 1
1 460 . 12 1 1 A 53 53 ARG CA C 53 59.100 59.288 -0.188 1
1 461 . 12 1 1 A 53 53 ARG CB C 53 30.900 29.739 1.161 1
1 464 . 12 1 1 A 53 53 ARG N N 53 119.500 117.235 2.265 1
1 465 . 12 1 1 A 54 54 TRP H H 54 9.270 8.541 0.729 1
1 466 . 12 1 1 A 54 54 TRP HA H 54 3.830 4.192 -0.362 1
1 475 . 12 1 1 A 54 54 TRP CA C 54 62.400 61.412 0.988 1
1 476 . 12 1 1 A 54 54 TRP CB C 54 29.200 29.173 0.027 1
1 482 . 12 1 1 A 54 54 TRP N N 54 124.000 122.279 1.721 1
1 484 . 12 1 1 A 55 55 ALA H H 55 8.810 8.609 0.201 1
1 485 . 12 1 1 A 55 55 ALA HA H 55 3.220 3.859 -0.639 1
1 489 . 12 1 1 A 55 55 ALA CA C 55 55.100 55.321 -0.221 1
1 490 . 12 1 1 A 55 55 ALA CB C 55 17.500 18.120 -0.620 1
1 491 . 12 1 1 A 55 55 ALA N N 55 120.800 121.580 -0.780 1
1 492 . 12 1 1 A 56 56 GLU H H 56 7.460 8.286 -0.826 1
1 493 . 12 1 1 A 56 56 GLU HA H 56 3.880 4.032 -0.152 1
1 498 . 12 1 1 A 56 56 GLU CA C 56 59.200 59.375 -0.175 1
1 499 . 12 1 1 A 56 56 GLU CB C 56 29.500 29.053 0.447 1
1 501 . 12 1 1 A 56 56 GLU N N 56 114.800 117.708 -2.908 1
1 502 . 12 1 1 A 57 57 GLY H H 57 7.650 8.323 -0.673 1
1 503 . 12 1 1 A 57 57 GLY HA2 H 57 3.490 3.765 -0.275 1
1 504 . 12 1 1 A 57 57 GLY HA3 H 57 3.850 3.798 0.052 1
1 505 . 12 1 1 A 57 57 GLY CA C 57 47.100 47.093 0.007 1
1 506 . 12 1 1 A 57 57 GLY N N 57 106.000 108.864 -2.864 1
1 507 . 12 1 1 A 58 58 ALA H H 58 8.950 8.077 0.873 1
1 508 . 12 1 1 A 58 58 ALA HA H 58 3.640 3.723 -0.083 1
1 512 . 12 1 1 A 58 58 ALA CA C 58 54.500 54.506 -0.006 1
1 513 . 12 1 1 A 58 58 ALA CB C 58 16.700 18.251 -1.551 1
1 514 . 12 1 1 A 58 58 ALA N N 58 127.400 124.581 2.819 1
1 515 . 12 1 1 A 59 59 LEU H H 59 8.370 8.277 0.093 1
1 516 . 12 1 1 A 59 59 LEU HA H 59 3.920 3.836 0.084 1
1 526 . 12 1 1 A 59 59 LEU CA C 59 57.300 57.644 -0.344 1
1 527 . 12 1 1 A 59 59 LEU CB C 59 40.800 41.070 -0.270 1
1 531 . 12 1 1 A 59 59 LEU N N 59 116.800 117.998 -1.198 1
1 532 . 12 1 1 A 60 60 GLU H H 60 7.310 7.998 -0.688 1
1 533 . 12 1 1 A 60 60 GLU HA H 60 4.030 3.974 0.056 1
1 538 . 12 1 1 A 60 60 GLU CA C 60 58.800 59.293 -0.493 1
1 539 . 12 1 1 A 60 60 GLU CB C 60 28.900 29.452 -0.552 1
1 541 . 12 1 1 A 60 60 GLU N N 60 119.000 120.591 -1.591 1
1 542 . 12 1 1 A 61 61 LEU H H 61 7.700 7.812 -0.112 1
1 543 . 12 1 1 A 61 61 LEU HA H 61 4.000 4.053 -0.053 1
1 553 . 12 1 1 A 61 61 LEU CA C 61 58.100 57.783 0.317 1
1 554 . 12 1 1 A 61 61 LEU CB C 61 41.400 41.462 -0.062 1
1 558 . 12 1 1 A 61 61 LEU N N 61 120.800 119.514 1.286 1
1 559 . 12 1 1 A 62 62 ILE H H 62 7.510 7.720 -0.210 1
1 560 . 12 1 1 A 62 62 ILE HA H 62 4.040 3.987 0.053 1
1 570 . 12 1 1 A 62 62 ILE CA C 62 63.200 63.646 -0.446 1
1 571 . 12 1 1 A 62 62 ILE CB C 62 37.200 37.473 -0.273 1
1 575 . 12 1 1 A 62 62 ILE N N 62 110.700 113.990 -3.290 1
1 576 . 12 1 1 A 63 63 LYS H H 63 7.520 7.642 -0.122 1
1 577 . 12 1 1 A 63 63 LYS HA H 63 4.070 3.995 0.075 1
1 586 . 12 1 1 A 63 63 LYS CA C 63 58.600 59.075 -0.475 1
1 587 . 12 1 1 A 63 63 LYS CB C 63 32.800 32.229 0.571 1
1 590 . 12 1 1 A 63 63 LYS N N 63 121.100 121.429 -0.329 1
1 591 . 12 1 1 A 64 64 VAL H H 64 7.630 7.606 0.024 1
1 592 . 12 1 1 A 64 64 VAL HA H 64 3.950 3.631 0.319 1
1 600 . 12 1 1 A 64 64 VAL CA C 64 63.900 66.226 -2.326 1
1 601 . 12 1 1 A 64 64 VAL CB C 64 32.400 32.067 0.333 1
1 604 . 12 1 1 A 64 64 VAL N N 64 115.200 119.605 -4.405 1
1 605 . 12 1 1 A 65 65 ARG H H 65 7.980 7.674 0.306 1
1 606 . 12 1 1 A 65 65 ARG HA H 65 4.390 4.697 -0.307 1
1 613 . 12 1 1 A 65 65 ARG CA C 65 55.200 54.578 0.622 1
1 614 . 12 1 1 A 65 65 ARG CB C 65 31.500 32.522 -1.022 1
1 617 . 12 1 1 A 65 65 ARG N N 65 118.300 119.165 -0.865 1
1 618 . 12 1 1 A 66 66 ARG HA H 66 4.340 4.842 -0.502 1
1 621 . 12 1 1 A 66 66 ARG CA C 66 54.900 52.154 2.746 1
1 622 . 12 1 1 A 66 66 ARG CB C 66 29.200 31.913 -2.713 1
1 629 . 12 1 1 A 68 68 LYS HA H 68 4.100 3.890 0.210 1
1 638 . 12 1 1 A 68 68 LYS CA C 68 57.900 59.202 -1.302 1
1 639 . 12 1 1 A 68 68 LYS CB C 68 34.100 32.414 1.686 1
1 643 . 12 1 1 A 69 69 TYR HA H 69 4.760 4.463 0.297 1
1 650 . 12 1 1 A 69 69 TYR CA C 69 57.800 60.140 -2.340 1
1 651 . 12 1 1 A 69 69 TYR CB C 69 39.600 39.432 0.168 1
1 654 . 12 1 1 A 70 70 VAL H H 70 6.950 7.807 -0.857 1
1 655 . 12 1 1 A 70 70 VAL HA H 70 4.720 4.172 0.548 1
1 663 . 12 1 1 A 70 70 VAL CA C 70 60.000 62.696 -2.696 1
1 664 . 12 1 1 A 70 70 VAL CB C 70 34.500 33.120 1.380 1
1 667 . 12 1 1 A 70 70 VAL N N 70 115.400 118.083 -2.683 1
1 668 . 12 1 1 A 71 71 HIS H H 71 7.870 8.754 -0.884 1
1 669 . 12 1 1 A 71 71 HIS HA H 71 4.910 4.949 -0.039 1
1 673 . 12 1 1 A 71 71 HIS CA C 71 54.100 55.243 -1.143 1
1 674 . 12 1 1 A 71 71 HIS CB C 71 33.700 31.966 1.734 1
1 676 . 12 1 1 A 71 71 HIS N N 71 120.600 127.276 -6.676 1
1 677 . 12 1 1 A 72 72 LYS H H 72 8.400 8.701 -0.301 1
1 678 . 12 1 1 A 72 72 LYS HA H 72 3.680 3.789 -0.109 1
1 687 . 12 1 1 A 72 72 LYS CA C 72 60.600 60.163 0.437 1
1 688 . 12 1 1 A 72 72 LYS CB C 72 32.800 32.028 0.772 1
1 692 . 12 1 1 A 73 73 GLU H H 73 9.680 8.265 1.415 1
1 693 . 12 1 1 A 73 73 GLU HA H 73 4.170 4.258 -0.088 1
1 698 . 12 1 1 A 73 73 GLU CA C 73 60.000 59.556 0.444 1
1 699 . 12 1 1 A 73 73 GLU CB C 73 28.300 29.312 -1.012 1
1 701 . 12 1 1 A 73 73 GLU N N 73 117.300 118.878 -1.578 1
1 702 . 12 1 1 A 74 74 GLN H H 74 7.360 7.767 -0.407 1
1 703 . 12 1 1 A 74 74 GLN HA H 74 4.180 4.078 0.102 1
1 710 . 12 1 1 A 74 74 GLN CA C 74 58.300 58.576 -0.276 1
1 711 . 12 1 1 A 74 74 GLN CB C 74 28.300 28.493 -0.193 1
1 713 . 12 1 1 A 74 74 GLN N N 74 117.700 119.977 -2.277 1
1 715 . 12 1 1 A 75 75 ILE H H 75 7.530 7.958 -0.428 1
1 716 . 12 1 1 A 75 75 ILE HA H 75 3.780 3.801 -0.021 1
1 726 . 12 1 1 A 75 75 ILE CA C 75 64.100 65.707 -1.607 1
1 727 . 12 1 1 A 75 75 ILE CB C 75 36.800 37.698 -0.898 1
1 731 . 12 1 1 A 75 75 ILE N N 75 120.600 121.019 -0.419 1
1 732 . 12 1 1 A 76 76 GLU H H 76 8.340 8.038 0.302 1
1 733 . 12 1 1 A 76 76 GLU HA H 76 3.970 4.057 -0.087 1
1 738 . 12 1 1 A 76 76 GLU CA C 76 59.200 59.459 -0.259 1
1 739 . 12 1 1 A 76 76 GLU CB C 76 29.700 29.266 0.434 1
1 741 . 12 1 1 A 76 76 GLU N N 76 117.500 120.909 -3.409 1
1 742 . 12 1 1 A 77 77 ALA H H 77 7.390 7.578 -0.188 1
1 743 . 12 1 1 A 77 77 ALA HA H 77 4.370 4.161 0.209 1
1 747 . 12 1 1 A 77 77 ALA CA C 77 53.400 55.062 -1.662 1
1 748 . 12 1 1 A 77 77 ALA CB C 77 18.800 18.526 0.274 1
1 749 . 12 1 1 A 77 77 ALA N N 77 118.600 122.477 -3.877 1
1 750 . 12 1 1 A 78 78 VAL H H 78 7.620 8.182 -0.562 1
1 751 . 12 1 1 A 78 78 VAL HA H 78 3.720 3.485 0.235 1
1 759 . 12 1 1 A 78 78 VAL CA C 78 66.700 67.132 -0.432 1
1 760 . 12 1 1 A 78 78 VAL CB C 78 31.500 31.553 -0.053 1
1 763 . 12 1 1 A 78 78 VAL N N 78 116.800 118.580 -1.780 1
1 764 . 12 1 1 A 79 79 LYS H H 79 8.570 7.864 0.706 1
1 765 . 12 1 1 A 79 79 LYS HA H 79 3.780 4.082 -0.302 1
1 774 . 12 1 1 A 79 79 LYS CA C 79 61.800 59.843 1.957 1
1 775 . 12 1 1 A 79 79 LYS CB C 79 31.500 32.547 -1.047 1
1 779 . 12 1 1 A 79 79 LYS N N 79 119.500 120.080 -0.580 1
1 780 . 12 1 1 A 80 80 ASP H H 80 8.350 8.175 0.175 1
1 781 . 12 1 1 A 80 80 ASP HA H 80 4.490 4.408 0.082 1
1 784 . 12 1 1 A 80 80 ASP CA C 80 57.300 57.469 -0.169 1
1 785 . 12 1 1 A 80 80 ASP CB C 80 40.000 41.188 -1.188 1
1 786 . 12 1 1 A 80 80 ASP N N 80 115.500 119.736 -4.236 1
1 787 . 12 1 1 A 81 81 ASN H H 81 7.690 8.505 -0.815 1
1 788 . 12 1 1 A 81 81 ASN HA H 81 4.540 4.410 0.130 1
1 793 . 12 1 1 A 81 81 ASN CA C 81 55.500 56.390 -0.890 1
1 794 . 12 1 1 A 81 81 ASN CB C 81 38.600 37.795 0.805 1
1 795 . 12 1 1 A 81 81 ASN N N 81 118.300 117.476 0.824 1
1 797 . 12 1 1 A 82 82 PHE H H 82 9.620 8.489 1.131 1
1 798 . 12 1 1 A 82 82 PHE HA H 82 4.060 4.143 -0.083 1
1 806 . 12 1 1 A 82 82 PHE CA C 82 60.900 61.257 -0.357 1
1 807 . 12 1 1 A 82 82 PHE CB C 82 39.500 39.386 0.114 1
1 811 . 12 1 1 A 82 82 PHE N N 82 121.400 122.970 -1.570 1
1 812 . 12 1 1 A 83 83 LEU H H 83 8.210 8.322 -0.112 1
1 813 . 12 1 1 A 83 83 LEU HA H 83 3.900 3.840 0.060 1
1 823 . 12 1 1 A 83 83 LEU CA C 83 57.000 57.715 -0.715 1
1 824 . 12 1 1 A 83 83 LEU CB C 83 40.400 41.303 -0.903 1
1 828 . 12 1 1 A 83 83 LEU N N 83 117.400 119.282 -1.882 1
1 829 . 12 1 1 A 84 84 GLU H H 84 7.660 8.737 -1.077 1
1 830 . 12 1 1 A 84 84 GLU HA H 84 4.150 4.039 0.111 1
1 835 . 12 1 1 A 84 84 GLU CA C 84 59.500 59.350 0.150 1
1 836 . 12 1 1 A 84 84 GLU CB C 84 28.700 29.513 -0.813 1
1 838 . 12 1 1 A 84 84 GLU N N 84 121.500 120.945 0.555 1
1 839 . 12 1 1 A 85 85 LEU H H 85 8.100 8.300 -0.200 1
1 840 . 12 1 1 A 85 85 LEU HA H 85 3.600 3.922 -0.322 1
1 850 . 12 1 1 A 85 85 LEU CA C 85 59.300 58.221 1.079 1
1 851 . 12 1 1 A 85 85 LEU CB C 85 41.800 41.365 0.435 1
1 855 . 12 1 1 A 85 85 LEU N N 85 121.700 121.022 0.678 1
1 856 . 12 1 1 A 86 86 VAL H H 86 8.220 7.882 0.338 1
1 857 . 12 1 1 A 86 86 VAL HA H 86 3.100 3.356 -0.256 1
1 865 . 12 1 1 A 86 86 VAL CA C 86 67.200 66.870 0.330 1
1 866 . 12 1 1 A 86 86 VAL CB C 86 31.500 31.611 -0.111 1
1 869 . 12 1 1 A 86 86 VAL N N 86 118.400 118.938 -0.538 1
1 870 . 12 1 1 A 87 87 LEU H H 87 8.450 8.446 0.004 1
1 871 . 12 1 1 A 87 87 LEU HA H 87 3.960 4.200 -0.240 1
1 881 . 12 1 1 A 87 87 LEU CA C 87 59.100 58.738 0.362 1
1 882 . 12 1 1 A 87 87 LEU CB C 87 42.300 41.935 0.365 1
1 886 . 12 1 1 A 87 87 LEU N N 87 120.200 120.248 -0.048 1
1 887 . 12 1 1 A 88 88 GLN H H 88 9.350 9.222 0.128 1
1 888 . 12 1 1 A 88 88 GLN HA H 88 4.180 4.428 -0.248 1
1 895 . 12 1 1 A 88 88 GLN CA C 88 57.300 57.859 -0.559 1
1 896 . 12 1 1 A 88 88 GLN CB C 88 25.400 27.517 -2.117 1
1 898 . 12 1 1 A 88 88 GLN N N 88 114.900 117.288 -2.388 1
1 900 . 12 1 1 A 89 89 SER H H 89 8.680 7.843 0.837 1
1 901 . 12 1 1 A 89 89 SER HA H 89 4.080 4.229 -0.149 1
1 904 . 12 1 1 A 89 89 SER CA C 89 61.900 60.841 1.059 1
1 905 . 12 1 1 A 89 89 SER CB C 89 62.200 62.684 -0.484 1
1 906 . 12 1 1 A 89 89 SER N N 89 117.500 116.380 1.120 1
1 907 . 12 1 1 A 90 90 TYR H H 90 7.330 7.801 -0.471 1
1 908 . 12 1 1 A 90 90 TYR HA H 90 4.320 4.329 -0.009 1
1 915 . 12 1 1 A 90 90 TYR CA C 90 59.700 59.689 0.011 1
1 916 . 12 1 1 A 90 90 TYR CB C 90 41.400 39.565 1.835 1
1 919 . 12 1 1 A 90 90 TYR N N 90 116.000 118.297 -2.297 1
1 920 . 12 1 1 A 91 91 VAL H H 91 7.730 8.003 -0.273 1
1 921 . 12 1 1 A 91 91 VAL HA H 91 4.010 4.007 0.003 1
1 929 . 12 1 1 A 91 91 VAL CA C 91 62.600 64.905 -2.305 1
1 930 . 12 1 1 A 91 91 VAL CB C 91 32.700 32.591 0.109 1
1 933 . 12 1 1 A 91 91 VAL N N 91 110.500 116.487 -5.987 1
1 934 . 12 1 1 A 92 92 HIS H H 92 8.600 7.911 0.689 1
1 935 . 12 1 1 A 92 92 HIS HA H 92 4.280 4.583 -0.303 1
1 939 . 12 1 1 A 92 92 HIS CA C 92 56.000 57.069 -1.069 1
1 940 . 12 1 1 A 92 92 HIS CB C 92 29.200 26.535 2.665 1
1 942 . 12 1 1 A 92 92 HIS N N 92 114.500 116.194 -1.694 1
1 943 . 12 1 1 A 93 93 HIS H H 93 8.350 8.442 -0.092 1
1 944 . 12 1 1 A 93 93 HIS HA H 93 4.780 4.541 0.239 1
1 948 . 12 1 1 A 93 93 HIS CA C 93 57.600 55.623 1.977 1
1 949 . 12 1 1 A 93 93 HIS CB C 93 31.900 29.492 2.408 1
1 951 . 12 1 1 A 93 93 HIS N N 93 118.200 115.251 2.949 1
1 952 . 12 1 1 A 94 94 ILE H H 94 7.470 8.098 -0.628 1
1 953 . 12 1 1 A 94 94 ILE HA H 94 4.370 5.033 -0.663 1
1 963 . 12 1 1 A 94 94 ILE CA C 94 60.900 58.666 2.234 1
1 964 . 12 1 1 A 94 94 ILE CB C 94 39.600 42.743 -3.143 1
1 968 . 12 1 1 A 94 94 ILE N N 94 111.400 116.040 -4.640 1
1 969 . 12 1 1 A 95 95 HIS H H 95 6.990 8.763 -1.773 1
1 970 . 12 1 1 A 96 96 LYS HA H 96 4.040 4.116 -0.076 1
1 977 . 12 1 1 A 97 97 LYS HA H 97 4.130 4.011 0.119 1
1 986 . 12 1 1 A 97 97 LYS CA C 97 59.400 59.048 0.352 1
1 987 . 12 1 1 A 97 97 LYS CB C 97 32.000 32.051 -0.051 1
1 991 . 12 1 1 A 98 98 ARG H H 98 7.150 7.915 -0.765 1
1 992 . 12 1 1 A 98 98 ARG HA H 98 4.150 3.908 0.242 1
1 999 . 12 1 1 A 98 98 ARG CA C 98 57.900 59.046 -1.146 1
1 1000 . 12 1 1 A 98 98 ARG CB C 98 28.600 29.646 -1.046 1
1 1003 . 12 1 1 A 98 98 ARG N N 98 118.500 119.617 -1.117 1
1 1004 . 12 1 1 A 99 99 PHE H H 99 8.260 8.066 0.194 1
1 1005 . 12 1 1 A 99 99 PHE HA H 99 3.450 4.032 -0.582 1
1 1013 . 12 1 1 A 99 99 PHE CA C 99 62.700 61.190 1.510 1
1 1014 . 12 1 1 A 99 99 PHE CB C 99 39.200 39.052 0.148 1
1 1018 . 12 1 1 A 99 99 PHE N N 99 119.100 120.246 -1.146 1
1 1019 . 12 1 1 A 100 100 LYS H H 100 8.500 8.302 0.198 1
1 1020 . 12 1 1 A 100 100 LYS HA H 100 3.980 3.843 0.137 1
1 1029 . 12 1 1 A 100 100 LYS CA C 100 59.300 59.074 0.226 1
1 1030 . 12 1 1 A 100 100 LYS CB C 100 31.900 31.885 0.015 1
1 1034 . 12 1 1 A 100 100 LYS N N 100 121.700 118.139 3.561 1
1 1035 . 12 1 1 A 101 101 ASP H H 101 8.150 8.000 0.150 1
1 1036 . 12 1 1 A 101 101 ASP HA H 101 4.290 4.267 0.023 1
1 1039 . 12 1 1 A 101 101 ASP CA C 101 57.300 57.923 -0.623 1
1 1040 . 12 1 1 A 101 101 ASP CB C 101 39.900 41.618 -1.718 1
1 1041 . 12 1 1 A 101 101 ASP N N 101 119.800 119.307 0.493 1
1 1042 . 12 1 1 A 102 102 ILE H H 102 8.220 7.845 0.375 1
1 1043 . 12 1 1 A 102 102 ILE HA H 102 3.690 3.573 0.117 1
1 1053 . 12 1 1 A 102 102 ILE CA C 102 65.000 65.011 -0.011 1
1 1054 . 12 1 1 A 102 102 ILE CB C 102 37.700 37.269 0.431 1
1 1058 . 12 1 1 A 102 102 ILE N N 102 118.800 118.821 -0.021 1
1 1059 . 12 1 1 A 103 103 THR H H 103 7.930 8.012 -0.082 1
1 1060 . 12 1 1 A 103 103 THR HA H 103 3.480 3.628 -0.148 1
1 1066 . 12 1 1 A 103 103 THR CA C 103 67.300 66.818 0.482 1
1 1067 . 12 1 1 A 103 103 THR CB C 103 67.700 68.388 -0.688 1
1 1069 . 12 1 1 A 103 103 THR N N 103 117.900 116.856 1.044 1
1 1070 . 12 1 1 A 104 104 GLU H H 104 8.470 8.624 -0.154 1
1 1071 . 12 1 1 A 104 104 GLU HA H 104 3.920 3.910 0.010 1
1 1076 . 12 1 1 A 104 104 GLU CA C 104 59.500 59.761 -0.261 1
1 1077 . 12 1 1 A 104 104 GLU CB C 104 29.200 29.295 -0.095 1
1 1079 . 12 1 1 A 104 104 GLU N N 104 118.900 122.207 -3.307 1
1 1080 . 12 1 1 A 105 105 SER H H 105 7.840 8.148 -0.308 1
1 1081 . 12 1 1 A 105 105 SER HA H 105 4.290 4.065 0.225 1
1 1084 . 12 1 1 A 105 105 SER CA C 105 60.900 62.611 -1.711 1
1 1085 . 12 1 1 A 105 105 SER CB C 105 62.700 63.074 -0.374 1
1 1086 . 12 1 1 A 105 105 SER N N 105 114.200 116.874 -2.674 1
1 1087 . 12 1 1 A 106 106 VAL H H 106 8.290 7.846 0.444 1
1 1088 . 12 1 1 A 106 106 VAL HA H 106 3.690 3.618 0.072 1
1 1096 . 12 1 1 A 106 106 VAL CA C 106 66.300 66.815 -0.515 1
1 1097 . 12 1 1 A 106 106 VAL CB C 106 31.900 31.781 0.119 1
1 1100 . 12 1 1 A 106 106 VAL N N 106 122.100 121.984 0.116 1
1 1101 . 12 1 1 A 107 107 LEU H H 107 8.560 8.303 0.257 1
1 1102 . 12 1 1 A 107 107 LEU HA H 107 3.900 3.720 0.180 1
1 1112 . 12 1 1 A 107 107 LEU CA C 107 58.300 58.087 0.213 1
1 1113 . 12 1 1 A 107 107 LEU CB C 107 41.200 41.860 -0.660 1
1 1117 . 12 1 1 A 107 107 LEU N N 107 117.500 118.236 -0.736 1
1 1118 . 12 1 1 A 108 108 TYR H H 108 8.450 8.630 -0.180 1
1 1119 . 12 1 1 A 108 108 TYR HA H 108 4.170 3.895 0.275 1
1 1126 . 12 1 1 A 108 108 TYR CA C 108 61.800 61.917 -0.117 1
1 1127 . 12 1 1 A 108 108 TYR CB C 108 37.900 38.359 -0.459 1
1 1130 . 12 1 1 A 108 108 TYR N N 108 119.000 119.507 -0.507 1
1 1131 . 12 1 1 A 109 109 THR H H 109 7.800 7.695 0.105 1
1 1132 . 12 1 1 A 109 109 THR HA H 109 3.860 4.153 -0.293 1
1 1137 . 12 1 1 A 109 109 THR CA C 109 66.800 67.334 -0.534 1
1 1138 . 12 1 1 A 109 109 THR CB C 109 67.800 67.866 -0.066 1
1 1140 . 12 1 1 A 109 109 THR N N 109 116.500 115.257 1.243 1
1 1141 . 12 1 1 A 110 110 LEU H H 110 8.510 8.173 0.337 1
1 1142 . 12 1 1 A 110 110 LEU HA H 110 3.900 4.034 -0.134 1
1 1152 . 12 1 1 A 110 110 LEU CA C 110 58.500 57.772 0.728 1
1 1153 . 12 1 1 A 110 110 LEU CB C 110 41.300 41.745 -0.445 1
1 1157 . 12 1 1 A 110 110 LEU N N 110 121.000 120.748 0.252 1
1 1158 . 12 1 1 A 111 111 HIS H H 111 8.440 8.195 0.245 1
1 1159 . 12 1 1 A 111 111 HIS HA H 111 4.000 4.241 -0.241 1
1 1163 . 12 1 1 A 111 111 HIS CA C 111 60.900 60.196 0.704 1
1 1164 . 12 1 1 A 111 111 HIS CB C 111 29.700 29.344 0.356 1
1 1166 . 12 1 1 A 111 111 HIS N N 111 116.300 117.852 -1.552 1
1 1167 . 12 1 1 A 112 112 ALA H H 112 7.920 7.699 0.221 1
1 1168 . 12 1 1 A 112 112 ALA HA H 112 4.130 3.726 0.404 1
1 1172 . 12 1 1 A 112 112 ALA CA C 112 55.000 54.983 0.017 1
1 1173 . 12 1 1 A 112 112 ALA CB C 112 17.600 18.255 -0.655 1
1 1174 . 12 1 1 A 112 112 ALA N N 112 122.900 122.313 0.587 1
1 1175 . 12 1 1 A 113 113 VAL H H 113 8.300 7.865 0.435 1
1 1176 . 12 1 1 A 113 113 VAL HA H 113 3.540 3.669 -0.129 1
1 1184 . 12 1 1 A 113 113 VAL CA C 113 67.200 66.711 0.489 1
1 1185 . 12 1 1 A 113 113 VAL CB C 113 31.000 31.773 -0.773 1
1 1188 . 12 1 1 A 113 113 VAL N N 113 119.000 118.217 0.783 1
1 1189 . 12 1 1 A 114 114 LYS H H 114 8.220 8.358 -0.138 1
1 1190 . 12 1 1 A 114 114 LYS HA H 114 3.810 3.979 -0.169 1
1 1199 . 12 1 1 A 114 114 LYS CA C 114 60.800 59.872 0.928 1
1 1200 . 12 1 1 A 114 114 LYS CB C 114 31.500 32.234 -0.734 1
1 1204 . 12 1 1 A 114 114 LYS N N 114 120.600 120.485 0.115 1
1 1205 . 12 1 1 A 115 115 ASP H H 115 8.180 8.024 0.156 1
1 1206 . 12 1 1 A 115 115 ASP HA H 115 4.300 4.372 -0.072 1
1 1209 . 12 1 1 A 115 115 ASP CA C 115 56.800 57.851 -1.051 1
1 1210 . 12 1 1 A 115 115 ASP CB C 115 39.600 41.057 -1.457 1
1 1211 . 12 1 1 A 115 115 ASP N N 115 118.800 119.207 -0.407 1
1 1212 . 12 1 1 A 116 116 GLU H H 116 7.990 7.697 0.293 1
1 1213 . 12 1 1 A 116 116 GLU HA H 116 4.060 4.175 -0.115 1
1 1218 . 12 1 1 A 116 116 GLU CA C 116 58.400 59.121 -0.721 1
1 1219 . 12 1 1 A 116 116 GLU CB C 116 29.000 29.755 -0.755 1
1 1221 . 12 1 1 A 116 116 GLU N N 116 120.800 118.683 2.117 1
1 1222 . 12 1 1 A 117 117 ILE H H 117 8.370 8.058 0.312 1
1 1223 . 12 1 1 A 117 117 ILE HA H 117 3.610 3.724 -0.114 1
1 1233 . 12 1 1 A 117 117 ILE CA C 117 64.800 65.634 -0.834 1
1 1234 . 12 1 1 A 117 117 ILE CB C 117 38.600 38.112 0.488 1
1 1238 . 12 1 1 A 117 117 ILE N N 117 119.700 121.260 -1.560 1
1 1239 . 12 1 1 A 118 118 ALA H H 118 7.720 7.933 -0.213 1
1 1240 . 12 1 1 A 118 118 ALA HA H 118 4.250 4.075 0.175 1
1 1244 . 12 1 1 A 118 118 ALA CA C 118 52.900 55.100 -2.200 1
1 1245 . 12 1 1 A 118 118 ALA CB C 118 18.700 17.929 0.771 1
1 1246 . 12 1 1 A 118 118 ALA N N 118 119.900 122.046 -2.146 1
1 1247 . 12 1 1 A 119 119 ARG H H 119 7.450 8.020 -0.570 1
1 1248 . 12 1 1 A 119 119 ARG HA H 119 4.110 4.013 0.097 1
1 1255 . 12 1 1 A 119 119 ARG CA C 119 57.600 59.504 -1.904 1
1 1256 . 12 1 1 A 119 119 ARG CB C 119 31.000 29.856 1.144 1
1 1259 . 12 1 1 A 119 119 ARG N N 119 118.400 118.775 -0.375 1
1 1260 . 12 1 1 A 120 120 GLU H H 120 8.890 8.044 0.846 1
1 1261 . 12 1 1 A 120 120 GLU HA H 120 4.280 4.300 -0.020 1
1 1266 . 12 1 1 A 120 120 GLU CA C 120 57.600 56.572 1.028 1
1 1267 . 12 1 1 A 120 120 GLU CB C 120 30.100 29.898 0.202 1
1 1269 . 12 1 1 A 120 120 GLU N N 120 114.900 116.078 -1.178 1
1 1 . 13 1 1 A 6 6 LEU HA H 6 4.230 4.685 -0.455 1
1 11 . 13 1 1 A 6 6 LEU CA C 6 58.000 55.057 2.943 1
1 12 . 13 1 1 A 6 6 LEU CB C 6 40.900 45.046 -4.146 1
1 16 . 13 1 1 A 7 7 LEU H H 7 8.970 7.526 1.444 1
1 17 . 13 1 1 A 7 7 LEU HA H 7 3.970 4.174 -0.204 1
1 27 . 13 1 1 A 7 7 LEU CA C 7 58.500 57.670 0.830 1
1 28 . 13 1 1 A 7 7 LEU CB C 7 41.000 41.534 -0.534 1
1 32 . 13 1 1 A 7 7 LEU N N 7 124.300 120.455 3.845 1
1 33 . 13 1 1 A 8 8 GLU H H 8 7.910 8.321 -0.411 1
1 34 . 13 1 1 A 8 8 GLU HA H 8 4.040 3.897 0.143 1
1 39 . 13 1 1 A 8 8 GLU CA C 8 59.500 59.881 -0.381 1
1 40 . 13 1 1 A 8 8 GLU CB C 8 29.200 29.123 0.077 1
1 42 . 13 1 1 A 8 8 GLU N N 8 119.000 118.838 0.162 1
1 43 . 13 1 1 A 9 9 MET H H 9 8.520 8.114 0.406 1
1 44 . 13 1 1 A 9 9 MET HA H 9 4.030 4.219 -0.189 1
1 52 . 13 1 1 A 9 9 MET CA C 9 59.900 58.452 1.448 1
1 53 . 13 1 1 A 9 9 MET CB C 9 36.000 32.159 3.841 1
1 56 . 13 1 1 A 9 9 MET N N 9 117.500 119.760 -2.260 1
1 57 . 13 1 1 A 10 10 THR H H 10 8.470 7.322 1.148 1
1 58 . 13 1 1 A 10 10 THR HA H 10 3.550 3.700 -0.150 1
1 64 . 13 1 1 A 10 10 THR CA C 10 67.200 68.099 -0.899 1
1 65 . 13 1 1 A 10 10 THR CB C 10 68.500 67.988 0.512 1
1 67 . 13 1 1 A 10 10 THR N N 10 116.600 116.444 0.156 1
1 68 . 13 1 1 A 11 11 GLU H H 11 8.500 8.879 -0.379 1
1 69 . 13 1 1 A 11 11 GLU HA H 11 3.910 3.873 0.037 1
1 74 . 13 1 1 A 11 11 GLU CA C 11 59.400 59.864 -0.464 1
1 75 . 13 1 1 A 11 11 GLU CB C 11 29.200 29.355 -0.155 1
1 77 . 13 1 1 A 11 11 GLU N N 11 119.400 119.263 0.137 1
1 78 . 13 1 1 A 12 12 GLN H H 12 8.140 8.198 -0.058 1
1 79 . 13 1 1 A 12 12 GLN HA H 12 4.100 4.066 0.034 1
1 86 . 13 1 1 A 12 12 GLN CA C 12 59.000 58.801 0.199 1
1 87 . 13 1 1 A 12 12 GLN CB C 12 27.800 28.379 -0.579 1
1 89 . 13 1 1 A 12 12 GLN N N 12 120.400 119.743 0.657 1
1 91 . 13 1 1 A 13 13 MET H H 13 8.120 7.685 0.435 1
1 92 . 13 1 1 A 13 13 MET HA H 13 3.710 4.012 -0.302 1
1 100 . 13 1 1 A 13 13 MET CA C 13 59.600 57.832 1.768 1
1 101 . 13 1 1 A 13 13 MET CB C 13 33.300 31.567 1.733 1
1 104 . 13 1 1 A 13 13 MET N N 13 118.500 118.631 -0.131 1
1 105 . 13 1 1 A 14 14 ILE H H 14 8.040 8.035 0.005 1
1 106 . 13 1 1 A 14 14 ILE HA H 14 3.270 3.494 -0.224 1
1 116 . 13 1 1 A 14 14 ILE CA C 14 65.700 64.927 0.773 1
1 117 . 13 1 1 A 14 14 ILE CB C 14 38.000 37.551 0.449 1
1 121 . 13 1 1 A 14 14 ILE N N 14 119.400 119.728 -0.328 1
1 122 . 13 1 1 A 15 15 GLU H H 15 7.700 8.440 -0.740 1
1 123 . 13 1 1 A 15 15 GLU HA H 15 4.110 3.939 0.171 1
1 128 . 13 1 1 A 15 15 GLU CA C 15 59.300 59.501 -0.201 1
1 129 . 13 1 1 A 15 15 GLU CB C 15 29.200 29.680 -0.480 1
1 131 . 13 1 1 A 15 15 GLU N N 15 119.000 120.914 -1.914 1
1 132 . 13 1 1 A 16 16 VAL H H 16 8.410 8.088 0.322 1
1 133 . 13 1 1 A 16 16 VAL HA H 16 3.530 3.673 -0.143 1
1 141 . 13 1 1 A 16 16 VAL CA C 16 66.600 66.384 0.216 1
1 142 . 13 1 1 A 16 16 VAL CB C 16 31.900 31.774 0.126 1
1 145 . 13 1 1 A 16 16 VAL N N 16 119.500 119.859 -0.359 1
1 146 . 13 1 1 A 17 17 ALA H H 17 8.600 7.862 0.738 1
1 147 . 13 1 1 A 17 17 ALA HA H 17 4.080 3.998 0.082 1
1 151 . 13 1 1 A 17 17 ALA CA C 17 54.700 55.742 -1.042 1
1 152 . 13 1 1 A 17 17 ALA CB C 17 17.700 18.167 -0.467 1
1 153 . 13 1 1 A 17 17 ALA N N 17 123.100 122.102 0.998 1
1 154 . 13 1 1 A 18 18 GLU H H 18 8.850 8.409 0.441 1
1 155 . 13 1 1 A 18 18 GLU HA H 18 3.990 3.981 0.009 1
1 160 . 13 1 1 A 18 18 GLU CA C 18 59.500 59.544 -0.044 1
1 161 . 13 1 1 A 18 18 GLU CB C 18 29.700 29.441 0.259 1
1 163 . 13 1 1 A 18 18 GLU N N 18 117.900 118.034 -0.134 1
1 164 . 13 1 1 A 19 19 LYS H H 19 8.750 8.358 0.392 1
1 165 . 13 1 1 A 19 19 LYS HA H 19 4.150 4.108 0.042 1
1 174 . 13 1 1 A 19 19 LYS CA C 19 58.700 58.623 0.077 1
1 175 . 13 1 1 A 19 19 LYS CB C 19 31.900 32.120 -0.220 1
1 179 . 13 1 1 A 19 19 LYS N N 19 119.200 118.763 0.437 1
1 180 . 13 1 1 A 20 20 GLY H H 20 8.640 8.662 -0.022 1
1 181 . 13 1 1 A 20 20 GLY HA2 H 20 3.790 3.861 -0.071 1
1 182 . 13 1 1 A 20 20 GLY HA3 H 20 3.500 3.864 -0.364 1
1 183 . 13 1 1 A 20 20 GLY CA C 20 46.400 47.173 -0.773 1
1 184 . 13 1 1 A 20 20 GLY N N 20 110.300 108.326 1.974 1
1 185 . 13 1 1 A 21 21 ALA H H 21 8.550 8.108 0.442 1
1 186 . 13 1 1 A 21 21 ALA HA H 21 4.490 4.355 0.135 1
1 190 . 13 1 1 A 21 21 ALA CA C 21 55.100 54.750 0.350 1
1 191 . 13 1 1 A 21 21 ALA CB C 21 17.300 18.894 -1.594 1
1 192 . 13 1 1 A 21 21 ALA N N 21 125.300 124.790 0.510 1
1 193 . 13 1 1 A 22 22 ASP H H 22 7.660 8.048 -0.388 1
1 194 . 13 1 1 A 22 22 ASP HA H 22 4.460 4.360 0.100 1
1 197 . 13 1 1 A 22 22 ASP CA C 22 56.900 57.321 -0.421 1
1 198 . 13 1 1 A 22 22 ASP CB C 22 40.500 40.984 -0.484 1
1 199 . 13 1 1 A 22 22 ASP N N 22 119.000 118.017 0.983 1
1 200 . 13 1 1 A 23 23 ARG H H 23 8.110 8.394 -0.284 1
1 201 . 13 1 1 A 23 23 ARG HA H 23 4.000 4.017 -0.017 1
1 208 . 13 1 1 A 23 23 ARG CA C 23 59.200 58.990 0.210 1
1 209 . 13 1 1 A 23 23 ARG CB C 23 30.700 29.640 1.060 1
1 212 . 13 1 1 A 23 23 ARG N N 23 121.800 120.225 1.575 1
1 213 . 13 1 1 A 24 24 TYR H H 24 8.460 8.334 0.126 1
1 214 . 13 1 1 A 24 24 TYR HA H 24 3.780 4.042 -0.262 1
1 221 . 13 1 1 A 24 24 TYR CA C 24 60.900 61.569 -0.669 1
1 222 . 13 1 1 A 24 24 TYR CB C 24 39.400 38.414 0.986 1
1 225 . 13 1 1 A 24 24 TYR N N 24 120.400 120.785 -0.385 1
1 226 . 13 1 1 A 25 25 GLN H H 25 7.540 8.340 -0.800 1
1 227 . 13 1 1 A 25 25 GLN HA H 25 3.750 3.921 -0.171 1
1 232 . 13 1 1 A 25 25 GLN CA C 25 57.800 58.681 -0.881 1
1 233 . 13 1 1 A 25 25 GLN CB C 25 28.400 28.258 0.142 1
1 235 . 13 1 1 A 25 25 GLN N N 25 117.500 119.038 -1.538 1
1 236 . 13 1 1 A 26 26 GLU H H 26 7.980 8.211 -0.231 1
1 237 . 13 1 1 A 26 26 GLU HA H 26 4.010 4.112 -0.102 1
1 242 . 13 1 1 A 26 26 GLU CA C 26 57.900 57.338 0.562 1
1 243 . 13 1 1 A 26 26 GLU CB C 26 29.700 29.917 -0.217 1
1 245 . 13 1 1 A 26 26 GLU N N 26 117.900 117.614 0.286 1
1 246 . 13 1 1 A 32 32 HIS HA H 32 4.620 4.883 -0.263 1
1 249 . 13 1 1 A 32 32 HIS CA C 32 56.900 55.132 1.768 1
1 250 . 13 1 1 A 32 32 HIS CB C 32 64.000 29.925 34.075 1
1 251 . 13 1 1 A 33 33 SER HA H 33 4.610 4.897 -0.287 1
1 254 . 13 1 1 A 33 33 SER CA C 33 56.900 57.014 -0.114 1
1 255 . 13 1 1 A 33 33 SER CB C 33 64.000 67.162 -3.162 1
1 256 . 13 1 1 A 34 34 TYR HA H 34 4.630 4.160 0.470 1
1 263 . 13 1 1 A 34 34 TYR CA C 34 56.900 60.380 -3.480 1
1 264 . 13 1 1 A 34 34 TYR CB C 34 40.700 36.379 4.321 1
1 267 . 13 1 1 A 36 36 PHE HA H 36 3.910 4.648 -0.738 1
1 275 . 13 1 1 A 36 36 PHE CA C 36 62.000 59.265 2.735 1
1 276 . 13 1 1 A 36 36 PHE CB C 36 39.200 37.829 1.371 1
1 280 . 13 1 1 A 37 37 PHE H H 37 8.090 8.963 -0.873 1
1 281 . 13 1 1 A 37 37 PHE HA H 37 3.980 4.560 -0.580 1
1 289 . 13 1 1 A 37 37 PHE CA C 37 61.600 59.636 1.964 1
1 290 . 13 1 1 A 37 37 PHE CB C 37 38.600 38.720 -0.120 1
1 294 . 13 1 1 A 37 37 PHE N N 37 116.200 122.128 -5.928 1
1 295 . 13 1 1 A 38 38 GLU H H 38 9.000 9.087 -0.087 1
1 296 . 13 1 1 A 38 38 GLU HA H 38 4.130 4.040 0.090 1
1 301 . 13 1 1 A 38 38 GLU CA C 38 57.700 59.114 -1.414 1
1 302 . 13 1 1 A 38 38 GLU CB C 38 30.600 29.208 1.392 1
1 304 . 13 1 1 A 38 38 GLU N N 38 116.000 118.839 -2.839 1
1 305 . 13 1 1 A 39 39 THR H H 39 7.390 7.738 -0.348 1
1 306 . 13 1 1 A 39 39 THR HA H 39 4.280 4.213 0.067 1
1 311 . 13 1 1 A 39 39 THR CA C 39 64.100 64.299 -0.199 1
1 312 . 13 1 1 A 39 39 THR CB C 39 70.000 69.658 0.342 1
1 314 . 13 1 1 A 39 39 THR N N 39 110.400 115.022 -4.622 1
1 315 . 13 1 1 A 40 40 ILE H H 40 7.250 7.585 -0.335 1
1 316 . 13 1 1 A 40 40 ILE HA H 40 2.570 3.684 -1.114 1
1 326 . 13 1 1 A 40 40 ILE CA C 40 65.800 61.073 4.727 1
1 327 . 13 1 1 A 40 40 ILE CB C 40 37.300 37.051 0.249 1
1 331 . 13 1 1 A 40 40 ILE N N 40 120.900 120.225 0.675 1
1 332 . 13 1 1 A 41 41 LYS H H 41 8.400 7.872 0.528 1
1 333 . 13 1 1 A 41 41 LYS HA H 41 3.650 4.477 -0.827 1
1 336 . 13 1 1 A 41 41 LYS CA C 41 59.000 57.853 1.147 1
1 337 . 13 1 1 A 41 41 LYS CB C 41 29.700 34.423 -4.723 1
1 338 . 13 1 1 A 41 41 LYS N N 41 118.800 122.491 -3.691 1
1 339 . 13 1 1 A 42 42 PRO HA H 42 4.280 4.307 -0.027 1
1 346 . 13 1 1 A 42 42 PRO CA C 42 65.300 65.992 -0.692 1
1 347 . 13 1 1 A 42 42 PRO CB C 42 30.200 30.647 -0.447 1
1 350 . 13 1 1 A 43 43 ALA H H 43 6.790 8.044 -1.254 1
1 351 . 13 1 1 A 43 43 ALA HA H 43 4.190 4.093 0.097 1
1 355 . 13 1 1 A 43 43 ALA CA C 43 54.900 55.217 -0.317 1
1 356 . 13 1 1 A 43 43 ALA CB C 43 18.000 18.289 -0.289 1
1 357 . 13 1 1 A 43 43 ALA N N 43 119.500 119.400 0.100 1
1 358 . 13 1 1 A 44 44 VAL H H 44 8.380 8.049 0.331 1
1 359 . 13 1 1 A 44 44 VAL HA H 44 3.460 3.384 0.076 1
1 367 . 13 1 1 A 44 44 VAL CA C 44 67.200 67.112 0.088 1
1 368 . 13 1 1 A 44 44 VAL CB C 44 31.500 31.476 0.024 1
1 371 . 13 1 1 A 44 44 VAL N N 44 120.500 118.852 1.648 1
1 372 . 13 1 1 A 45 45 GLU H H 45 8.410 8.714 -0.304 1
1 373 . 13 1 1 A 45 45 GLU HA H 45 4.060 3.897 0.163 1
1 378 . 13 1 1 A 45 45 GLU CA C 45 59.600 59.896 -0.296 1
1 379 . 13 1 1 A 45 45 GLU CB C 45 29.300 29.236 0.064 1
1 381 . 13 1 1 A 45 45 GLU N N 45 118.400 118.703 -0.303 1
1 382 . 13 1 1 A 46 46 GLU H H 46 8.390 7.915 0.475 1
1 383 . 13 1 1 A 46 46 GLU HA H 46 4.200 4.114 0.086 1
1 388 . 13 1 1 A 46 46 GLU CA C 46 58.900 59.125 -0.225 1
1 389 . 13 1 1 A 46 46 GLU CB C 46 29.300 29.243 0.057 1
1 391 . 13 1 1 A 46 46 GLU N N 46 118.800 120.695 -1.895 1
1 392 . 13 1 1 A 47 47 ASN H H 47 7.700 8.637 -0.937 1
1 393 . 13 1 1 A 47 47 ASN HA H 47 4.900 4.762 0.138 1
1 398 . 13 1 1 A 47 47 ASN CA C 47 57.100 56.495 0.605 1
1 399 . 13 1 1 A 47 47 ASN CB C 47 39.000 38.072 0.928 1
1 400 . 13 1 1 A 47 47 ASN N N 47 118.000 119.033 -1.033 1
1 402 . 13 1 1 A 48 48 ASP H H 48 8.810 8.716 0.094 1
1 403 . 13 1 1 A 48 48 ASP HA H 48 4.520 4.341 0.179 1
1 406 . 13 1 1 A 48 48 ASP CA C 48 57.800 57.688 0.112 1
1 407 . 13 1 1 A 48 48 ASP CB C 48 41.700 41.931 -0.231 1
1 408 . 13 1 1 A 48 48 ASP N N 48 124.000 119.445 4.555 1
1 409 . 13 1 1 A 49 49 GLU H H 49 7.310 8.058 -0.748 1
1 410 . 13 1 1 A 49 49 GLU HA H 49 4.070 4.087 -0.017 1
1 415 . 13 1 1 A 49 49 GLU CA C 49 59.500 59.286 0.214 1
1 416 . 13 1 1 A 49 49 GLU CB C 49 29.300 29.544 -0.244 1
1 418 . 13 1 1 A 49 49 GLU N N 49 117.600 118.047 -0.447 1
1 419 . 13 1 1 A 50 50 LEU H H 50 7.590 8.574 -0.984 1
1 420 . 13 1 1 A 50 50 LEU HA H 50 4.160 4.177 -0.017 1
1 430 . 13 1 1 A 50 50 LEU CA C 50 58.000 58.045 -0.045 1
1 431 . 13 1 1 A 50 50 LEU CB C 50 41.800 41.776 0.024 1
1 435 . 13 1 1 A 50 50 LEU N N 50 119.500 121.654 -2.154 1
1 436 . 13 1 1 A 51 51 ALA H H 51 8.620 8.831 -0.211 1
1 437 . 13 1 1 A 51 51 ALA HA H 51 4.210 4.016 0.194 1
1 441 . 13 1 1 A 51 51 ALA CA C 51 54.900 55.312 -0.412 1
1 442 . 13 1 1 A 51 51 ALA CB C 51 18.600 18.181 0.419 1
1 443 . 13 1 1 A 51 51 ALA N N 51 118.900 120.741 -1.841 1
1 444 . 13 1 1 A 52 52 ALA H H 52 8.410 8.203 0.207 1
1 445 . 13 1 1 A 52 52 ALA HA H 52 4.210 4.086 0.124 1
1 449 . 13 1 1 A 52 52 ALA CA C 52 55.100 55.480 -0.380 1
1 450 . 13 1 1 A 52 52 ALA CB C 52 18.400 18.270 0.130 1
1 451 . 13 1 1 A 52 52 ALA N N 52 119.400 120.996 -1.596 1
1 452 . 13 1 1 A 53 53 ARG H H 53 8.070 8.094 -0.024 1
1 453 . 13 1 1 A 53 53 ARG HA H 53 4.130 4.101 0.029 1
1 460 . 13 1 1 A 53 53 ARG CA C 53 59.100 58.914 0.186 1
1 461 . 13 1 1 A 53 53 ARG CB C 53 30.900 29.846 1.054 1
1 464 . 13 1 1 A 53 53 ARG N N 53 119.500 118.818 0.682 1
1 465 . 13 1 1 A 54 54 TRP H H 54 9.270 8.477 0.793 1
1 466 . 13 1 1 A 54 54 TRP HA H 54 3.830 4.206 -0.376 1
1 475 . 13 1 1 A 54 54 TRP CA C 54 62.400 61.430 0.970 1
1 476 . 13 1 1 A 54 54 TRP CB C 54 29.200 29.241 -0.041 1
1 482 . 13 1 1 A 54 54 TRP N N 54 124.000 122.031 1.969 1
1 484 . 13 1 1 A 55 55 ALA H H 55 8.810 8.328 0.482 1
1 485 . 13 1 1 A 55 55 ALA HA H 55 3.220 3.882 -0.662 1
1 489 . 13 1 1 A 55 55 ALA CA C 55 55.100 55.340 -0.240 1
1 490 . 13 1 1 A 55 55 ALA CB C 55 17.500 18.121 -0.621 1
1 491 . 13 1 1 A 55 55 ALA N N 55 120.800 121.439 -0.639 1
1 492 . 13 1 1 A 56 56 GLU H H 56 7.460 8.212 -0.752 1
1 493 . 13 1 1 A 56 56 GLU HA H 56 3.880 4.039 -0.159 1
1 498 . 13 1 1 A 56 56 GLU CA C 56 59.200 59.370 -0.170 1
1 499 . 13 1 1 A 56 56 GLU CB C 56 29.500 29.023 0.477 1
1 501 . 13 1 1 A 56 56 GLU N N 56 114.800 117.787 -2.987 1
1 502 . 13 1 1 A 57 57 GLY H H 57 7.650 8.485 -0.835 1
1 503 . 13 1 1 A 57 57 GLY HA2 H 57 3.490 3.760 -0.270 1
1 504 . 13 1 1 A 57 57 GLY HA3 H 57 3.850 3.799 0.051 1
1 505 . 13 1 1 A 57 57 GLY CA C 57 47.100 47.082 0.018 1
1 506 . 13 1 1 A 57 57 GLY N N 57 106.000 108.859 -2.859 1
1 507 . 13 1 1 A 58 58 ALA H H 58 8.950 8.079 0.871 1
1 508 . 13 1 1 A 58 58 ALA HA H 58 3.640 3.699 -0.059 1
1 512 . 13 1 1 A 58 58 ALA CA C 58 54.500 54.502 -0.002 1
1 513 . 13 1 1 A 58 58 ALA CB C 58 16.700 18.605 -1.905 1
1 514 . 13 1 1 A 58 58 ALA N N 58 127.400 124.791 2.609 1
1 515 . 13 1 1 A 59 59 LEU H H 59 8.370 8.297 0.073 1
1 516 . 13 1 1 A 59 59 LEU HA H 59 3.920 3.830 0.090 1
1 526 . 13 1 1 A 59 59 LEU CA C 59 57.300 57.699 -0.399 1
1 527 . 13 1 1 A 59 59 LEU CB C 59 40.800 41.356 -0.556 1
1 531 . 13 1 1 A 59 59 LEU N N 59 116.800 118.941 -2.141 1
1 532 . 13 1 1 A 60 60 GLU H H 60 7.310 7.958 -0.648 1
1 533 . 13 1 1 A 60 60 GLU HA H 60 4.030 3.978 0.052 1
1 538 . 13 1 1 A 60 60 GLU CA C 60 58.800 59.408 -0.608 1
1 539 . 13 1 1 A 60 60 GLU CB C 60 28.900 29.533 -0.633 1
1 541 . 13 1 1 A 60 60 GLU N N 60 119.000 120.453 -1.453 1
1 542 . 13 1 1 A 61 61 LEU H H 61 7.700 7.663 0.037 1
1 543 . 13 1 1 A 61 61 LEU HA H 61 4.000 3.988 0.012 1
1 553 . 13 1 1 A 61 61 LEU CA C 61 58.100 57.935 0.165 1
1 554 . 13 1 1 A 61 61 LEU CB C 61 41.400 41.797 -0.397 1
1 558 . 13 1 1 A 61 61 LEU N N 61 120.800 119.603 1.197 1
1 559 . 13 1 1 A 62 62 ILE H H 62 7.510 7.638 -0.128 1
1 560 . 13 1 1 A 62 62 ILE HA H 62 4.040 4.204 -0.164 1
1 570 . 13 1 1 A 62 62 ILE CA C 62 63.200 64.033 -0.833 1
1 571 . 13 1 1 A 62 62 ILE CB C 62 37.200 37.375 -0.175 1
1 575 . 13 1 1 A 62 62 ILE N N 62 110.700 114.679 -3.979 1
1 576 . 13 1 1 A 63 63 LYS H H 63 7.520 7.783 -0.263 1
1 577 . 13 1 1 A 63 63 LYS HA H 63 4.070 3.964 0.106 1
1 586 . 13 1 1 A 63 63 LYS CA C 63 58.600 59.136 -0.536 1
1 587 . 13 1 1 A 63 63 LYS CB C 63 32.800 32.326 0.474 1
1 590 . 13 1 1 A 63 63 LYS N N 63 121.100 121.211 -0.111 1
1 591 . 13 1 1 A 64 64 VAL H H 64 7.630 7.801 -0.171 1
1 592 . 13 1 1 A 64 64 VAL HA H 64 3.950 3.512 0.438 1
1 600 . 13 1 1 A 64 64 VAL CA C 64 63.900 66.470 -2.570 1
1 601 . 13 1 1 A 64 64 VAL CB C 64 32.400 31.753 0.647 1
1 604 . 13 1 1 A 64 64 VAL N N 64 115.200 119.734 -4.534 1
1 605 . 13 1 1 A 65 65 ARG H H 65 7.980 7.891 0.089 1
1 606 . 13 1 1 A 65 65 ARG HA H 65 4.390 4.383 0.007 1
1 613 . 13 1 1 A 65 65 ARG CA C 65 55.200 57.469 -2.269 1
1 614 . 13 1 1 A 65 65 ARG CB C 65 31.500 31.201 0.299 1
1 617 . 13 1 1 A 65 65 ARG N N 65 118.300 120.028 -1.728 1
1 618 . 13 1 1 A 66 66 ARG HA H 66 4.340 4.582 -0.242 1
1 621 . 13 1 1 A 66 66 ARG CA C 66 54.900 54.716 0.184 1
1 622 . 13 1 1 A 66 66 ARG CB C 66 29.200 34.132 -4.932 1
1 629 . 13 1 1 A 68 68 LYS HA H 68 4.100 4.349 -0.249 1
1 638 . 13 1 1 A 68 68 LYS CA C 68 57.900 56.072 1.828 1
1 639 . 13 1 1 A 68 68 LYS CB C 68 34.100 32.767 1.333 1
1 643 . 13 1 1 A 69 69 TYR HA H 69 4.760 4.131 0.629 1
1 650 . 13 1 1 A 69 69 TYR CA C 69 57.800 61.904 -4.104 1
1 651 . 13 1 1 A 69 69 TYR CB C 69 39.600 36.769 2.831 1
1 654 . 13 1 1 A 70 70 VAL H H 70 6.950 8.361 -1.411 1
1 655 . 13 1 1 A 70 70 VAL HA H 70 4.720 4.305 0.415 1
1 663 . 13 1 1 A 70 70 VAL CA C 70 60.000 62.184 -2.184 1
1 664 . 13 1 1 A 70 70 VAL CB C 70 34.500 32.715 1.785 1
1 667 . 13 1 1 A 70 70 VAL N N 70 115.400 120.351 -4.951 1
1 668 . 13 1 1 A 71 71 HIS H H 71 7.870 8.655 -0.785 1
1 669 . 13 1 1 A 71 71 HIS HA H 71 4.910 4.920 -0.010 1
1 673 . 13 1 1 A 71 71 HIS CA C 71 54.100 54.981 -0.881 1
1 674 . 13 1 1 A 71 71 HIS CB C 71 33.700 31.904 1.796 1
1 676 . 13 1 1 A 71 71 HIS N N 71 120.600 128.142 -7.542 1
1 677 . 13 1 1 A 72 72 LYS H H 72 8.400 8.394 0.006 1
1 678 . 13 1 1 A 72 72 LYS HA H 72 3.680 3.912 -0.232 1
1 687 . 13 1 1 A 72 72 LYS CA C 72 60.600 59.011 1.589 1
1 688 . 13 1 1 A 72 72 LYS CB C 72 32.800 31.864 0.936 1
1 692 . 13 1 1 A 73 73 GLU H H 73 9.680 8.489 1.191 1
1 693 . 13 1 1 A 73 73 GLU HA H 73 4.170 4.129 0.041 1
1 698 . 13 1 1 A 73 73 GLU CA C 73 60.000 59.367 0.633 1
1 699 . 13 1 1 A 73 73 GLU CB C 73 28.300 29.329 -1.029 1
1 701 . 13 1 1 A 73 73 GLU N N 73 117.300 119.625 -2.325 1
1 702 . 13 1 1 A 74 74 GLN H H 74 7.360 8.061 -0.701 1
1 703 . 13 1 1 A 74 74 GLN HA H 74 4.180 4.194 -0.014 1
1 710 . 13 1 1 A 74 74 GLN CA C 74 58.300 58.648 -0.348 1
1 711 . 13 1 1 A 74 74 GLN CB C 74 28.300 28.271 0.029 1
1 713 . 13 1 1 A 74 74 GLN N N 74 117.700 119.894 -2.194 1
1 715 . 13 1 1 A 75 75 ILE H H 75 7.530 7.906 -0.376 1
1 716 . 13 1 1 A 75 75 ILE HA H 75 3.780 3.802 -0.022 1
1 726 . 13 1 1 A 75 75 ILE CA C 75 64.100 65.650 -1.550 1
1 727 . 13 1 1 A 75 75 ILE CB C 75 36.800 37.637 -0.837 1
1 731 . 13 1 1 A 75 75 ILE N N 75 120.600 120.068 0.532 1
1 732 . 13 1 1 A 76 76 GLU H H 76 8.340 8.309 0.031 1
1 733 . 13 1 1 A 76 76 GLU HA H 76 3.970 4.042 -0.072 1
1 738 . 13 1 1 A 76 76 GLU CA C 76 59.200 59.399 -0.199 1
1 739 . 13 1 1 A 76 76 GLU CB C 76 29.700 29.654 0.046 1
1 741 . 13 1 1 A 76 76 GLU N N 76 117.500 120.075 -2.575 1
1 742 . 13 1 1 A 77 77 ALA H H 77 7.390 7.691 -0.301 1
1 743 . 13 1 1 A 77 77 ALA HA H 77 4.370 4.136 0.234 1
1 747 . 13 1 1 A 77 77 ALA CA C 77 53.400 54.964 -1.564 1
1 748 . 13 1 1 A 77 77 ALA CB C 77 18.800 18.724 0.076 1
1 749 . 13 1 1 A 77 77 ALA N N 77 118.600 122.612 -4.012 1
1 750 . 13 1 1 A 78 78 VAL H H 78 7.620 8.487 -0.867 1
1 751 . 13 1 1 A 78 78 VAL HA H 78 3.720 3.466 0.254 1
1 759 . 13 1 1 A 78 78 VAL CA C 78 66.700 67.111 -0.411 1
1 760 . 13 1 1 A 78 78 VAL CB C 78 31.500 31.445 0.055 1
1 763 . 13 1 1 A 78 78 VAL N N 78 116.800 118.591 -1.791 1
1 764 . 13 1 1 A 79 79 LYS H H 79 8.570 8.261 0.309 1
1 765 . 13 1 1 A 79 79 LYS HA H 79 3.780 4.032 -0.252 1
1 774 . 13 1 1 A 79 79 LYS CA C 79 61.800 59.802 1.998 1
1 775 . 13 1 1 A 79 79 LYS CB C 79 31.500 32.409 -0.909 1
1 779 . 13 1 1 A 79 79 LYS N N 79 119.500 120.253 -0.753 1
1 780 . 13 1 1 A 80 80 ASP H H 80 8.350 7.766 0.584 1
1 781 . 13 1 1 A 80 80 ASP HA H 80 4.490 4.400 0.090 1
1 784 . 13 1 1 A 80 80 ASP CA C 80 57.300 57.334 -0.034 1
1 785 . 13 1 1 A 80 80 ASP CB C 80 40.000 41.163 -1.163 1
1 786 . 13 1 1 A 80 80 ASP N N 80 115.500 119.287 -3.787 1
1 787 . 13 1 1 A 81 81 ASN H H 81 7.690 8.729 -1.039 1
1 788 . 13 1 1 A 81 81 ASN HA H 81 4.540 4.391 0.149 1
1 793 . 13 1 1 A 81 81 ASN CA C 81 55.500 56.623 -1.123 1
1 794 . 13 1 1 A 81 81 ASN CB C 81 38.600 38.155 0.445 1
1 795 . 13 1 1 A 81 81 ASN N N 81 118.300 117.936 0.364 1
1 797 . 13 1 1 A 82 82 PHE H H 82 9.620 8.566 1.054 1
1 798 . 13 1 1 A 82 82 PHE HA H 82 4.060 4.116 -0.056 1
1 806 . 13 1 1 A 82 82 PHE CA C 82 60.900 61.289 -0.389 1
1 807 . 13 1 1 A 82 82 PHE CB C 82 39.500 39.356 0.144 1
1 811 . 13 1 1 A 82 82 PHE N N 82 121.400 122.488 -1.088 1
1 812 . 13 1 1 A 83 83 LEU H H 83 8.210 8.587 -0.377 1
1 813 . 13 1 1 A 83 83 LEU HA H 83 3.900 3.723 0.177 1
1 823 . 13 1 1 A 83 83 LEU CA C 83 57.000 57.771 -0.771 1
1 824 . 13 1 1 A 83 83 LEU CB C 83 40.400 41.337 -0.937 1
1 828 . 13 1 1 A 83 83 LEU N N 83 117.400 119.303 -1.903 1
1 829 . 13 1 1 A 84 84 GLU H H 84 7.660 8.150 -0.490 1
1 830 . 13 1 1 A 84 84 GLU HA H 84 4.150 4.067 0.083 1
1 835 . 13 1 1 A 84 84 GLU CA C 84 59.500 59.263 0.237 1
1 836 . 13 1 1 A 84 84 GLU CB C 84 28.700 29.680 -0.980 1
1 838 . 13 1 1 A 84 84 GLU N N 84 121.500 118.189 3.311 1
1 839 . 13 1 1 A 85 85 LEU H H 85 8.100 8.361 -0.261 1
1 840 . 13 1 1 A 85 85 LEU HA H 85 3.600 4.015 -0.415 1
1 850 . 13 1 1 A 85 85 LEU CA C 85 59.300 58.335 0.965 1
1 851 . 13 1 1 A 85 85 LEU CB C 85 41.800 41.689 0.111 1
1 855 . 13 1 1 A 85 85 LEU N N 85 121.700 122.217 -0.517 1
1 856 . 13 1 1 A 86 86 VAL H H 86 8.220 7.852 0.368 1
1 857 . 13 1 1 A 86 86 VAL HA H 86 3.100 3.408 -0.308 1
1 865 . 13 1 1 A 86 86 VAL CA C 86 67.200 66.803 0.397 1
1 866 . 13 1 1 A 86 86 VAL CB C 86 31.500 31.403 0.097 1
1 869 . 13 1 1 A 86 86 VAL N N 86 118.400 119.012 -0.612 1
1 870 . 13 1 1 A 87 87 LEU H H 87 8.450 8.095 0.355 1
1 871 . 13 1 1 A 87 87 LEU HA H 87 3.960 4.041 -0.081 1
1 881 . 13 1 1 A 87 87 LEU CA C 87 59.100 58.687 0.413 1
1 882 . 13 1 1 A 87 87 LEU CB C 87 42.300 41.562 0.738 1
1 886 . 13 1 1 A 87 87 LEU N N 87 120.200 120.061 0.139 1
1 887 . 13 1 1 A 88 88 GLN H H 88 9.350 8.378 0.972 1
1 888 . 13 1 1 A 88 88 GLN HA H 88 4.180 4.204 -0.024 1
1 895 . 13 1 1 A 88 88 GLN CA C 88 57.300 58.201 -0.901 1
1 896 . 13 1 1 A 88 88 GLN CB C 88 25.400 28.095 -2.695 1
1 898 . 13 1 1 A 88 88 GLN N N 88 114.900 118.002 -3.102 1
1 900 . 13 1 1 A 89 89 SER H H 89 8.680 7.533 1.147 1
1 901 . 13 1 1 A 89 89 SER HA H 89 4.080 3.785 0.295 1
1 904 . 13 1 1 A 89 89 SER CA C 89 61.900 61.147 0.753 1
1 905 . 13 1 1 A 89 89 SER CB C 89 62.200 62.642 -0.442 1
1 906 . 13 1 1 A 89 89 SER N N 89 117.500 115.720 1.780 1
1 907 . 13 1 1 A 90 90 TYR H H 90 7.330 7.460 -0.130 1
1 908 . 13 1 1 A 90 90 TYR HA H 90 4.320 4.122 0.198 1
1 915 . 13 1 1 A 90 90 TYR CA C 90 59.700 60.019 -0.319 1
1 916 . 13 1 1 A 90 90 TYR CB C 90 41.400 37.552 3.848 1
1 919 . 13 1 1 A 90 90 TYR N N 90 116.000 119.118 -3.118 1
1 920 . 13 1 1 A 91 91 VAL H H 91 7.730 7.095 0.635 1
1 921 . 13 1 1 A 91 91 VAL HA H 91 4.010 4.146 -0.136 1
1 929 . 13 1 1 A 91 91 VAL CA C 91 62.600 62.233 0.367 1
1 930 . 13 1 1 A 91 91 VAL CB C 91 32.700 32.030 0.670 1
1 933 . 13 1 1 A 91 91 VAL N N 91 110.500 112.976 -2.476 1
1 934 . 13 1 1 A 92 92 HIS H H 92 8.600 7.533 1.067 1
1 935 . 13 1 1 A 92 92 HIS HA H 92 4.280 4.309 -0.029 1
1 939 . 13 1 1 A 92 92 HIS CA C 92 56.000 57.114 -1.114 1
1 940 . 13 1 1 A 92 92 HIS CB C 92 29.200 26.600 2.600 1
1 942 . 13 1 1 A 92 92 HIS N N 92 114.500 116.253 -1.753 1
1 943 . 13 1 1 A 93 93 HIS H H 93 8.350 7.772 0.578 1
1 944 . 13 1 1 A 93 93 HIS HA H 93 4.780 4.343 0.437 1
1 948 . 13 1 1 A 93 93 HIS CA C 93 57.600 57.329 0.271 1
1 949 . 13 1 1 A 93 93 HIS CB C 93 31.900 30.772 1.128 1
1 951 . 13 1 1 A 93 93 HIS N N 93 118.200 117.371 0.829 1
1 952 . 13 1 1 A 94 94 ILE H H 94 7.470 7.372 0.098 1
1 953 . 13 1 1 A 94 94 ILE HA H 94 4.370 4.486 -0.116 1
1 963 . 13 1 1 A 94 94 ILE CA C 94 60.900 59.987 0.913 1
1 964 . 13 1 1 A 94 94 ILE CB C 94 39.600 40.345 -0.745 1
1 968 . 13 1 1 A 94 94 ILE N N 94 111.400 119.589 -8.189 1
1 969 . 13 1 1 A 95 95 HIS H H 95 6.990 9.059 -2.069 1
1 970 . 13 1 1 A 96 96 LYS HA H 96 4.040 4.126 -0.086 1
1 977 . 13 1 1 A 97 97 LYS HA H 97 4.130 4.059 0.071 1
1 986 . 13 1 1 A 97 97 LYS CA C 97 59.400 60.119 -0.719 1
1 987 . 13 1 1 A 97 97 LYS CB C 97 32.000 32.293 -0.293 1
1 991 . 13 1 1 A 98 98 ARG H H 98 7.150 8.075 -0.925 1
1 992 . 13 1 1 A 98 98 ARG HA H 98 4.150 4.124 0.026 1
1 999 . 13 1 1 A 98 98 ARG CA C 98 57.900 59.060 -1.160 1
1 1000 . 13 1 1 A 98 98 ARG CB C 98 28.600 29.694 -1.094 1
1 1003 . 13 1 1 A 98 98 ARG N N 98 118.500 119.433 -0.933 1
1 1004 . 13 1 1 A 99 99 PHE H H 99 8.260 8.604 -0.344 1
1 1005 . 13 1 1 A 99 99 PHE HA H 99 3.450 4.211 -0.761 1
1 1013 . 13 1 1 A 99 99 PHE CA C 99 62.700 61.500 1.200 1
1 1014 . 13 1 1 A 99 99 PHE CB C 99 39.200 39.130 0.070 1
1 1018 . 13 1 1 A 99 99 PHE N N 99 119.100 120.490 -1.390 1
1 1019 . 13 1 1 A 100 100 LYS H H 100 8.500 8.119 0.381 1
1 1020 . 13 1 1 A 100 100 LYS HA H 100 3.980 3.878 0.102 1
1 1029 . 13 1 1 A 100 100 LYS CA C 100 59.300 59.033 0.267 1
1 1030 . 13 1 1 A 100 100 LYS CB C 100 31.900 32.118 -0.218 1
1 1034 . 13 1 1 A 100 100 LYS N N 100 121.700 118.112 3.588 1
1 1035 . 13 1 1 A 101 101 ASP H H 101 8.150 7.769 0.381 1
1 1036 . 13 1 1 A 101 101 ASP HA H 101 4.290 4.296 -0.006 1
1 1039 . 13 1 1 A 101 101 ASP CA C 101 57.300 57.907 -0.607 1
1 1040 . 13 1 1 A 101 101 ASP CB C 101 39.900 41.627 -1.727 1
1 1041 . 13 1 1 A 101 101 ASP N N 101 119.800 119.264 0.536 1
1 1042 . 13 1 1 A 102 102 ILE H H 102 8.220 8.270 -0.050 1
1 1043 . 13 1 1 A 102 102 ILE HA H 102 3.690 3.587 0.103 1
1 1053 . 13 1 1 A 102 102 ILE CA C 102 65.000 64.884 0.116 1
1 1054 . 13 1 1 A 102 102 ILE CB C 102 37.700 37.347 0.353 1
1 1058 . 13 1 1 A 102 102 ILE N N 102 118.800 118.753 0.047 1
1 1059 . 13 1 1 A 103 103 THR H H 103 7.930 7.865 0.065 1
1 1060 . 13 1 1 A 103 103 THR HA H 103 3.480 3.703 -0.223 1
1 1066 . 13 1 1 A 103 103 THR CA C 103 67.300 66.904 0.396 1
1 1067 . 13 1 1 A 103 103 THR CB C 103 67.700 68.310 -0.610 1
1 1069 . 13 1 1 A 103 103 THR N N 103 117.900 116.641 1.259 1
1 1070 . 13 1 1 A 104 104 GLU H H 104 8.470 8.651 -0.181 1
1 1071 . 13 1 1 A 104 104 GLU HA H 104 3.920 3.917 0.003 1
1 1076 . 13 1 1 A 104 104 GLU CA C 104 59.500 59.608 -0.108 1
1 1077 . 13 1 1 A 104 104 GLU CB C 104 29.200 29.409 -0.209 1
1 1079 . 13 1 1 A 104 104 GLU N N 104 118.900 122.363 -3.463 1
1 1080 . 13 1 1 A 105 105 SER H H 105 7.840 8.149 -0.309 1
1 1081 . 13 1 1 A 105 105 SER HA H 105 4.290 4.124 0.166 1
1 1084 . 13 1 1 A 105 105 SER CA C 105 60.900 62.628 -1.728 1
1 1085 . 13 1 1 A 105 105 SER CB C 105 62.700 63.105 -0.405 1
1 1086 . 13 1 1 A 105 105 SER N N 105 114.200 116.900 -2.700 1
1 1087 . 13 1 1 A 106 106 VAL H H 106 8.290 8.136 0.154 1
1 1088 . 13 1 1 A 106 106 VAL HA H 106 3.690 3.587 0.103 1
1 1096 . 13 1 1 A 106 106 VAL CA C 106 66.300 66.873 -0.573 1
1 1097 . 13 1 1 A 106 106 VAL CB C 106 31.900 31.637 0.263 1
1 1100 . 13 1 1 A 106 106 VAL N N 106 122.100 122.160 -0.060 1
1 1101 . 13 1 1 A 107 107 LEU H H 107 8.560 8.494 0.066 1
1 1102 . 13 1 1 A 107 107 LEU HA H 107 3.900 3.612 0.288 1
1 1112 . 13 1 1 A 107 107 LEU CA C 107 58.300 57.807 0.493 1
1 1113 . 13 1 1 A 107 107 LEU CB C 107 41.200 41.516 -0.316 1
1 1117 . 13 1 1 A 107 107 LEU N N 107 117.500 118.356 -0.856 1
1 1118 . 13 1 1 A 108 108 TYR H H 108 8.450 8.652 -0.202 1
1 1119 . 13 1 1 A 108 108 TYR HA H 108 4.170 3.945 0.225 1
1 1126 . 13 1 1 A 108 108 TYR CA C 108 61.800 61.879 -0.079 1
1 1127 . 13 1 1 A 108 108 TYR CB C 108 37.900 38.276 -0.376 1
1 1130 . 13 1 1 A 108 108 TYR N N 108 119.000 119.495 -0.495 1
1 1131 . 13 1 1 A 109 109 THR H H 109 7.800 7.891 -0.091 1
1 1132 . 13 1 1 A 109 109 THR HA H 109 3.860 3.927 -0.067 1
1 1137 . 13 1 1 A 109 109 THR CA C 109 66.800 67.252 -0.452 1
1 1138 . 13 1 1 A 109 109 THR CB C 109 67.800 67.956 -0.156 1
1 1140 . 13 1 1 A 109 109 THR N N 109 116.500 114.929 1.571 1
1 1141 . 13 1 1 A 110 110 LEU H H 110 8.510 8.152 0.358 1
1 1142 . 13 1 1 A 110 110 LEU HA H 110 3.900 4.025 -0.125 1
1 1152 . 13 1 1 A 110 110 LEU CA C 110 58.500 57.773 0.727 1
1 1153 . 13 1 1 A 110 110 LEU CB C 110 41.300 41.615 -0.315 1
1 1157 . 13 1 1 A 110 110 LEU N N 110 121.000 120.805 0.195 1
1 1158 . 13 1 1 A 111 111 HIS H H 111 8.440 8.407 0.033 1
1 1159 . 13 1 1 A 111 111 HIS HA H 111 4.000 4.138 -0.138 1
1 1163 . 13 1 1 A 111 111 HIS CA C 111 60.900 60.349 0.551 1
1 1164 . 13 1 1 A 111 111 HIS CB C 111 29.700 29.174 0.526 1
1 1166 . 13 1 1 A 111 111 HIS N N 111 116.300 117.681 -1.381 1
1 1167 . 13 1 1 A 112 112 ALA H H 112 7.920 8.022 -0.102 1
1 1168 . 13 1 1 A 112 112 ALA HA H 112 4.130 3.449 0.681 1
1 1172 . 13 1 1 A 112 112 ALA CA C 112 55.000 54.819 0.181 1
1 1173 . 13 1 1 A 112 112 ALA CB C 112 17.600 18.192 -0.592 1
1 1174 . 13 1 1 A 112 112 ALA N N 112 122.900 121.995 0.905 1
1 1175 . 13 1 1 A 113 113 VAL H H 113 8.300 7.927 0.373 1
1 1176 . 13 1 1 A 113 113 VAL HA H 113 3.540 3.423 0.117 1
1 1184 . 13 1 1 A 113 113 VAL CA C 113 67.200 66.658 0.542 1
1 1185 . 13 1 1 A 113 113 VAL CB C 113 31.000 31.506 -0.506 1
1 1188 . 13 1 1 A 113 113 VAL N N 113 119.000 118.878 0.122 1
1 1189 . 13 1 1 A 114 114 LYS H H 114 8.220 8.303 -0.083 1
1 1190 . 13 1 1 A 114 114 LYS HA H 114 3.810 3.940 -0.130 1
1 1199 . 13 1 1 A 114 114 LYS CA C 114 60.800 59.466 1.334 1
1 1200 . 13 1 1 A 114 114 LYS CB C 114 31.500 32.228 -0.728 1
1 1204 . 13 1 1 A 114 114 LYS N N 114 120.600 120.652 -0.052 1
1 1205 . 13 1 1 A 115 115 ASP H H 115 8.180 8.189 -0.009 1
1 1206 . 13 1 1 A 115 115 ASP HA H 115 4.300 4.223 0.077 1
1 1209 . 13 1 1 A 115 115 ASP CA C 115 56.800 57.409 -0.609 1
1 1210 . 13 1 1 A 115 115 ASP CB C 115 39.600 41.663 -2.063 1
1 1211 . 13 1 1 A 115 115 ASP N N 115 118.800 118.489 0.311 1
1 1212 . 13 1 1 A 116 116 GLU H H 116 7.990 7.916 0.074 1
1 1213 . 13 1 1 A 116 116 GLU HA H 116 4.060 4.149 -0.089 1
1 1218 . 13 1 1 A 116 116 GLU CA C 116 58.400 59.212 -0.812 1
1 1219 . 13 1 1 A 116 116 GLU CB C 116 29.000 28.717 0.283 1
1 1221 . 13 1 1 A 116 116 GLU N N 116 120.800 117.239 3.561 1
1 1222 . 13 1 1 A 117 117 ILE H H 117 8.370 8.040 0.330 1
1 1223 . 13 1 1 A 117 117 ILE HA H 117 3.610 3.793 -0.183 1
1 1233 . 13 1 1 A 117 117 ILE CA C 117 64.800 65.484 -0.684 1
1 1234 . 13 1 1 A 117 117 ILE CB C 117 38.600 37.907 0.693 1
1 1238 . 13 1 1 A 117 117 ILE N N 117 119.700 121.293 -1.593 1
1 1239 . 13 1 1 A 118 118 ALA H H 118 7.720 7.723 -0.003 1
1 1240 . 13 1 1 A 118 118 ALA HA H 118 4.250 4.226 0.024 1
1 1244 . 13 1 1 A 118 118 ALA CA C 118 52.900 52.875 0.025 1
1 1245 . 13 1 1 A 118 118 ALA CB C 118 18.700 19.267 -0.567 1
1 1246 . 13 1 1 A 118 118 ALA N N 118 119.900 121.427 -1.527 1
1 1247 . 13 1 1 A 119 119 ARG H H 119 7.450 7.983 -0.533 1
1 1248 . 13 1 1 A 119 119 ARG HA H 119 4.110 4.041 0.069 1
1 1255 . 13 1 1 A 119 119 ARG CA C 119 57.600 59.376 -1.776 1
1 1256 . 13 1 1 A 119 119 ARG CB C 119 31.000 30.135 0.865 1
1 1259 . 13 1 1 A 119 119 ARG N N 119 118.400 118.147 0.253 1
1 1260 . 13 1 1 A 120 120 GLU H H 120 8.890 8.312 0.578 1
1 1261 . 13 1 1 A 120 120 GLU HA H 120 4.280 4.332 -0.052 1
1 1266 . 13 1 1 A 120 120 GLU CA C 120 57.600 57.475 0.125 1
1 1267 . 13 1 1 A 120 120 GLU CB C 120 30.100 30.586 -0.486 1
1 1269 . 13 1 1 A 120 120 GLU N N 120 114.900 116.345 -1.445 1
1 1 . 14 1 1 A 6 6 LEU HA H 6 4.230 4.636 -0.406 1
1 11 . 14 1 1 A 6 6 LEU CA C 6 58.000 55.748 2.252 1
1 12 . 14 1 1 A 6 6 LEU CB C 6 40.900 45.087 -4.187 1
1 16 . 14 1 1 A 7 7 LEU H H 7 8.970 7.764 1.206 1
1 17 . 14 1 1 A 7 7 LEU HA H 7 3.970 4.065 -0.095 1
1 27 . 14 1 1 A 7 7 LEU CA C 7 58.500 58.457 0.043 1
1 28 . 14 1 1 A 7 7 LEU CB C 7 41.000 41.562 -0.562 1
1 32 . 14 1 1 A 7 7 LEU N N 7 124.300 120.760 3.540 1
1 33 . 14 1 1 A 8 8 GLU H H 8 7.910 8.124 -0.214 1
1 34 . 14 1 1 A 8 8 GLU HA H 8 4.040 4.064 -0.024 1
1 39 . 14 1 1 A 8 8 GLU CA C 8 59.500 59.170 0.330 1
1 40 . 14 1 1 A 8 8 GLU CB C 8 29.200 28.815 0.385 1
1 42 . 14 1 1 A 8 8 GLU N N 8 119.000 117.382 1.618 1
1 43 . 14 1 1 A 9 9 MET H H 9 8.520 8.146 0.374 1
1 44 . 14 1 1 A 9 9 MET HA H 9 4.030 4.224 -0.194 1
1 52 . 14 1 1 A 9 9 MET CA C 9 59.900 58.152 1.748 1
1 53 . 14 1 1 A 9 9 MET CB C 9 36.000 33.188 2.812 1
1 56 . 14 1 1 A 9 9 MET N N 9 117.500 119.243 -1.743 1
1 57 . 14 1 1 A 10 10 THR H H 10 8.470 7.721 0.749 1
1 58 . 14 1 1 A 10 10 THR HA H 10 3.550 3.813 -0.263 1
1 64 . 14 1 1 A 10 10 THR CA C 10 67.200 67.734 -0.534 1
1 65 . 14 1 1 A 10 10 THR CB C 10 68.500 68.154 0.346 1
1 67 . 14 1 1 A 10 10 THR N N 10 116.600 115.425 1.175 1
1 68 . 14 1 1 A 11 11 GLU H H 11 8.500 8.738 -0.238 1
1 69 . 14 1 1 A 11 11 GLU HA H 11 3.910 3.843 0.067 1
1 74 . 14 1 1 A 11 11 GLU CA C 11 59.400 60.034 -0.634 1
1 75 . 14 1 1 A 11 11 GLU CB C 11 29.200 29.172 0.028 1
1 77 . 14 1 1 A 11 11 GLU N N 11 119.400 118.988 0.412 1
1 78 . 14 1 1 A 12 12 GLN H H 12 8.140 8.082 0.058 1
1 79 . 14 1 1 A 12 12 GLN HA H 12 4.100 4.069 0.031 1
1 86 . 14 1 1 A 12 12 GLN CA C 12 59.000 58.568 0.432 1
1 87 . 14 1 1 A 12 12 GLN CB C 12 27.800 28.400 -0.600 1
1 89 . 14 1 1 A 12 12 GLN N N 12 120.400 119.963 0.437 1
1 91 . 14 1 1 A 13 13 MET H H 13 8.120 8.087 0.033 1
1 92 . 14 1 1 A 13 13 MET HA H 13 3.710 4.056 -0.346 1
1 100 . 14 1 1 A 13 13 MET CA C 13 59.600 58.770 0.830 1
1 101 . 14 1 1 A 13 13 MET CB C 13 33.300 32.495 0.805 1
1 104 . 14 1 1 A 13 13 MET N N 13 118.500 117.850 0.650 1
1 105 . 14 1 1 A 14 14 ILE H H 14 8.040 8.196 -0.156 1
1 106 . 14 1 1 A 14 14 ILE HA H 14 3.270 3.574 -0.304 1
1 116 . 14 1 1 A 14 14 ILE CA C 14 65.700 65.142 0.558 1
1 117 . 14 1 1 A 14 14 ILE CB C 14 38.000 37.767 0.233 1
1 121 . 14 1 1 A 14 14 ILE N N 14 119.400 119.393 0.007 1
1 122 . 14 1 1 A 15 15 GLU H H 15 7.700 8.080 -0.380 1
1 123 . 14 1 1 A 15 15 GLU HA H 15 4.110 3.969 0.141 1
1 128 . 14 1 1 A 15 15 GLU CA C 15 59.300 59.339 -0.039 1
1 129 . 14 1 1 A 15 15 GLU CB C 15 29.200 29.787 -0.587 1
1 131 . 14 1 1 A 15 15 GLU N N 15 119.000 121.497 -2.497 1
1 132 . 14 1 1 A 16 16 VAL H H 16 8.410 8.506 -0.096 1
1 133 . 14 1 1 A 16 16 VAL HA H 16 3.530 3.664 -0.134 1
1 141 . 14 1 1 A 16 16 VAL CA C 16 66.600 66.385 0.215 1
1 142 . 14 1 1 A 16 16 VAL CB C 16 31.900 31.830 0.070 1
1 145 . 14 1 1 A 16 16 VAL N N 16 119.500 119.922 -0.422 1
1 146 . 14 1 1 A 17 17 ALA H H 17 8.600 8.286 0.314 1
1 147 . 14 1 1 A 17 17 ALA HA H 17 4.080 3.939 0.141 1
1 151 . 14 1 1 A 17 17 ALA CA C 17 54.700 55.978 -1.278 1
1 152 . 14 1 1 A 17 17 ALA CB C 17 17.700 18.681 -0.981 1
1 153 . 14 1 1 A 17 17 ALA N N 17 123.100 122.277 0.823 1
1 154 . 14 1 1 A 18 18 GLU H H 18 8.850 8.349 0.501 1
1 155 . 14 1 1 A 18 18 GLU HA H 18 3.990 3.963 0.027 1
1 160 . 14 1 1 A 18 18 GLU CA C 18 59.500 59.612 -0.112 1
1 161 . 14 1 1 A 18 18 GLU CB C 18 29.700 29.633 0.067 1
1 163 . 14 1 1 A 18 18 GLU N N 18 117.900 117.835 0.065 1
1 164 . 14 1 1 A 19 19 LYS H H 19 8.750 8.287 0.463 1
1 165 . 14 1 1 A 19 19 LYS HA H 19 4.150 3.940 0.210 1
1 174 . 14 1 1 A 19 19 LYS CA C 19 58.700 59.572 -0.872 1
1 175 . 14 1 1 A 19 19 LYS CB C 19 31.900 32.061 -0.161 1
1 179 . 14 1 1 A 19 19 LYS N N 19 119.200 121.254 -2.054 1
1 180 . 14 1 1 A 20 20 GLY H H 20 8.640 8.570 0.070 1
1 181 . 14 1 1 A 20 20 GLY HA2 H 20 3.790 3.798 -0.008 1
1 182 . 14 1 1 A 20 20 GLY HA3 H 20 3.500 3.834 -0.334 1
1 183 . 14 1 1 A 20 20 GLY CA C 20 46.400 47.048 -0.648 1
1 184 . 14 1 1 A 20 20 GLY N N 20 110.300 107.066 3.234 1
1 185 . 14 1 1 A 21 21 ALA H H 21 8.550 8.007 0.543 1
1 186 . 14 1 1 A 21 21 ALA HA H 21 4.490 4.233 0.257 1
1 190 . 14 1 1 A 21 21 ALA CA C 21 55.100 54.710 0.390 1
1 191 . 14 1 1 A 21 21 ALA CB C 21 17.300 18.559 -1.259 1
1 192 . 14 1 1 A 21 21 ALA N N 21 125.300 124.952 0.348 1
1 193 . 14 1 1 A 22 22 ASP H H 22 7.660 7.944 -0.284 1
1 194 . 14 1 1 A 22 22 ASP HA H 22 4.460 4.513 -0.053 1
1 197 . 14 1 1 A 22 22 ASP CA C 22 56.900 56.115 0.785 1
1 198 . 14 1 1 A 22 22 ASP CB C 22 40.500 40.741 -0.241 1
1 199 . 14 1 1 A 22 22 ASP N N 22 119.000 118.451 0.549 1
1 200 . 14 1 1 A 23 23 ARG H H 23 8.110 8.109 0.001 1
1 201 . 14 1 1 A 23 23 ARG HA H 23 4.000 3.985 0.015 1
1 208 . 14 1 1 A 23 23 ARG CA C 23 59.200 58.893 0.307 1
1 209 . 14 1 1 A 23 23 ARG CB C 23 30.700 29.602 1.098 1
1 212 . 14 1 1 A 23 23 ARG N N 23 121.800 121.082 0.718 1
1 213 . 14 1 1 A 24 24 TYR H H 24 8.460 8.192 0.268 1
1 214 . 14 1 1 A 24 24 TYR HA H 24 3.780 4.065 -0.285 1
1 221 . 14 1 1 A 24 24 TYR CA C 24 60.900 62.161 -1.261 1
1 222 . 14 1 1 A 24 24 TYR CB C 24 39.400 37.806 1.594 1
1 225 . 14 1 1 A 24 24 TYR N N 24 120.400 120.668 -0.268 1
1 226 . 14 1 1 A 25 25 GLN H H 25 7.540 8.015 -0.475 1
1 227 . 14 1 1 A 25 25 GLN HA H 25 3.750 3.918 -0.168 1
1 232 . 14 1 1 A 25 25 GLN CA C 25 57.800 58.592 -0.792 1
1 233 . 14 1 1 A 25 25 GLN CB C 25 28.400 28.314 0.086 1
1 235 . 14 1 1 A 25 25 GLN N N 25 117.500 118.584 -1.084 1
1 236 . 14 1 1 A 26 26 GLU H H 26 7.980 8.163 -0.183 1
1 237 . 14 1 1 A 26 26 GLU HA H 26 4.010 4.077 -0.067 1
1 242 . 14 1 1 A 26 26 GLU CA C 26 57.900 58.998 -1.098 1
1 243 . 14 1 1 A 26 26 GLU CB C 26 29.700 29.360 0.340 1
1 245 . 14 1 1 A 26 26 GLU N N 26 117.900 118.527 -0.627 1
1 246 . 14 1 1 A 32 32 HIS HA H 32 4.620 5.039 -0.419 1
1 249 . 14 1 1 A 32 32 HIS CA C 32 56.900 53.610 3.290 1
1 250 . 14 1 1 A 32 32 HIS CB C 32 64.000 29.620 34.380 1
1 251 . 14 1 1 A 33 33 SER HA H 33 4.610 4.335 0.275 1
1 254 . 14 1 1 A 33 33 SER CA C 33 56.900 57.343 -0.443 1
1 255 . 14 1 1 A 33 33 SER CB C 33 64.000 61.376 2.624 1
1 256 . 14 1 1 A 34 34 TYR HA H 34 4.630 4.895 -0.265 1
1 263 . 14 1 1 A 34 34 TYR CA C 34 56.900 56.413 0.487 1
1 264 . 14 1 1 A 34 34 TYR CB C 34 40.700 42.326 -1.626 1
1 267 . 14 1 1 A 36 36 PHE HA H 36 3.910 4.733 -0.823 1
1 275 . 14 1 1 A 36 36 PHE CA C 36 62.000 58.866 3.134 1
1 276 . 14 1 1 A 36 36 PHE CB C 36 39.200 40.331 -1.131 1
1 280 . 14 1 1 A 37 37 PHE H H 37 8.090 8.257 -0.167 1
1 281 . 14 1 1 A 37 37 PHE HA H 37 3.980 4.349 -0.369 1
1 289 . 14 1 1 A 37 37 PHE CA C 37 61.600 58.249 3.351 1
1 290 . 14 1 1 A 37 37 PHE CB C 37 38.600 39.300 -0.700 1
1 294 . 14 1 1 A 37 37 PHE N N 37 116.200 117.662 -1.462 1
1 295 . 14 1 1 A 38 38 GLU H H 38 9.000 7.948 1.052 1
1 296 . 14 1 1 A 38 38 GLU HA H 38 4.130 3.984 0.146 1
1 301 . 14 1 1 A 38 38 GLU CA C 38 57.700 59.034 -1.334 1
1 302 . 14 1 1 A 38 38 GLU CB C 38 30.600 29.090 1.510 1
1 304 . 14 1 1 A 38 38 GLU N N 38 116.000 121.437 -5.437 1
1 305 . 14 1 1 A 39 39 THR H H 39 7.390 7.734 -0.344 1
1 306 . 14 1 1 A 39 39 THR HA H 39 4.280 4.528 -0.248 1
1 311 . 14 1 1 A 39 39 THR CA C 39 64.100 61.831 2.269 1
1 312 . 14 1 1 A 39 39 THR CB C 39 70.000 71.425 -1.425 1
1 314 . 14 1 1 A 39 39 THR N N 39 110.400 112.379 -1.979 1
1 315 . 14 1 1 A 40 40 ILE H H 40 7.250 6.800 0.450 1
1 316 . 14 1 1 A 40 40 ILE HA H 40 2.570 3.881 -1.311 1
1 326 . 14 1 1 A 40 40 ILE CA C 40 65.800 60.660 5.140 1
1 327 . 14 1 1 A 40 40 ILE CB C 40 37.300 34.931 2.369 1
1 331 . 14 1 1 A 40 40 ILE N N 40 120.900 119.494 1.406 1
1 332 . 14 1 1 A 41 41 LYS H H 41 8.400 8.186 0.214 1
1 333 . 14 1 1 A 41 41 LYS HA H 41 3.650 4.538 -0.888 1
1 336 . 14 1 1 A 41 41 LYS CA C 41 59.000 57.486 1.514 1
1 337 . 14 1 1 A 41 41 LYS CB C 41 29.700 34.638 -4.938 1
1 338 . 14 1 1 A 41 41 LYS N N 41 118.800 127.095 -8.295 1
1 339 . 14 1 1 A 42 42 PRO HA H 42 4.280 4.295 -0.015 1
1 346 . 14 1 1 A 42 42 PRO CA C 42 65.300 66.009 -0.709 1
1 347 . 14 1 1 A 42 42 PRO CB C 42 30.200 30.974 -0.774 1
1 350 . 14 1 1 A 43 43 ALA H H 43 6.790 8.079 -1.289 1
1 351 . 14 1 1 A 43 43 ALA HA H 43 4.190 4.207 -0.017 1
1 355 . 14 1 1 A 43 43 ALA CA C 43 54.900 54.366 0.534 1
1 356 . 14 1 1 A 43 43 ALA CB C 43 18.000 18.562 -0.562 1
1 357 . 14 1 1 A 43 43 ALA N N 43 119.500 119.523 -0.023 1
1 358 . 14 1 1 A 44 44 VAL H H 44 8.380 7.729 0.651 1
1 359 . 14 1 1 A 44 44 VAL HA H 44 3.460 3.510 -0.050 1
1 367 . 14 1 1 A 44 44 VAL CA C 44 67.200 66.511 0.689 1
1 368 . 14 1 1 A 44 44 VAL CB C 44 31.500 31.569 -0.069 1
1 371 . 14 1 1 A 44 44 VAL N N 44 120.500 118.967 1.533 1
1 372 . 14 1 1 A 45 45 GLU H H 45 8.410 8.566 -0.156 1
1 373 . 14 1 1 A 45 45 GLU HA H 45 4.060 3.933 0.127 1
1 378 . 14 1 1 A 45 45 GLU CA C 45 59.600 59.948 -0.348 1
1 379 . 14 1 1 A 45 45 GLU CB C 45 29.300 29.291 0.009 1
1 381 . 14 1 1 A 45 45 GLU N N 45 118.400 118.661 -0.261 1
1 382 . 14 1 1 A 46 46 GLU H H 46 8.390 8.192 0.198 1
1 383 . 14 1 1 A 46 46 GLU HA H 46 4.200 4.136 0.064 1
1 388 . 14 1 1 A 46 46 GLU CA C 46 58.900 59.037 -0.137 1
1 389 . 14 1 1 A 46 46 GLU CB C 46 29.300 29.231 0.069 1
1 391 . 14 1 1 A 46 46 GLU N N 46 118.800 120.687 -1.887 1
1 392 . 14 1 1 A 47 47 ASN H H 47 7.700 8.592 -0.892 1
1 393 . 14 1 1 A 47 47 ASN HA H 47 4.900 4.688 0.212 1
1 398 . 14 1 1 A 47 47 ASN CA C 47 57.100 56.460 0.640 1
1 399 . 14 1 1 A 47 47 ASN CB C 47 39.000 38.067 0.933 1
1 400 . 14 1 1 A 47 47 ASN N N 47 118.000 119.120 -1.120 1
1 402 . 14 1 1 A 48 48 ASP H H 48 8.810 8.602 0.208 1
1 403 . 14 1 1 A 48 48 ASP HA H 48 4.520 4.328 0.192 1
1 406 . 14 1 1 A 48 48 ASP CA C 48 57.800 57.717 0.083 1
1 407 . 14 1 1 A 48 48 ASP CB C 48 41.700 42.105 -0.405 1
1 408 . 14 1 1 A 48 48 ASP N N 48 124.000 119.229 4.771 1
1 409 . 14 1 1 A 49 49 GLU H H 49 7.310 8.041 -0.731 1
1 410 . 14 1 1 A 49 49 GLU HA H 49 4.070 4.089 -0.019 1
1 415 . 14 1 1 A 49 49 GLU CA C 49 59.500 59.288 0.212 1
1 416 . 14 1 1 A 49 49 GLU CB C 49 29.300 29.589 -0.289 1
1 418 . 14 1 1 A 49 49 GLU N N 49 117.600 118.245 -0.645 1
1 419 . 14 1 1 A 50 50 LEU H H 50 7.590 8.504 -0.914 1
1 420 . 14 1 1 A 50 50 LEU HA H 50 4.160 4.127 0.033 1
1 430 . 14 1 1 A 50 50 LEU CA C 50 58.000 58.168 -0.168 1
1 431 . 14 1 1 A 50 50 LEU CB C 50 41.800 41.696 0.104 1
1 435 . 14 1 1 A 50 50 LEU N N 50 119.500 122.121 -2.621 1
1 436 . 14 1 1 A 51 51 ALA H H 51 8.620 8.574 0.046 1
1 437 . 14 1 1 A 51 51 ALA HA H 51 4.210 3.978 0.232 1
1 441 . 14 1 1 A 51 51 ALA CA C 51 54.900 55.756 -0.856 1
1 442 . 14 1 1 A 51 51 ALA CB C 51 18.600 17.876 0.724 1
1 443 . 14 1 1 A 51 51 ALA N N 51 118.900 120.793 -1.893 1
1 444 . 14 1 1 A 52 52 ALA H H 52 8.410 8.100 0.310 1
1 445 . 14 1 1 A 52 52 ALA HA H 52 4.210 4.088 0.122 1
1 449 . 14 1 1 A 52 52 ALA CA C 52 55.100 55.401 -0.301 1
1 450 . 14 1 1 A 52 52 ALA CB C 52 18.400 18.225 0.175 1
1 451 . 14 1 1 A 52 52 ALA N N 52 119.400 120.483 -1.083 1
1 452 . 14 1 1 A 53 53 ARG H H 53 8.070 8.018 0.052 1
1 453 . 14 1 1 A 53 53 ARG HA H 53 4.130 4.088 0.042 1
1 460 . 14 1 1 A 53 53 ARG CA C 53 59.100 58.772 0.328 1
1 461 . 14 1 1 A 53 53 ARG CB C 53 30.900 29.910 0.990 1
1 464 . 14 1 1 A 53 53 ARG N N 53 119.500 118.932 0.568 1
1 465 . 14 1 1 A 54 54 TRP H H 54 9.270 8.121 1.149 1
1 466 . 14 1 1 A 54 54 TRP HA H 54 3.830 4.106 -0.276 1
1 475 . 14 1 1 A 54 54 TRP CA C 54 62.400 61.408 0.992 1
1 476 . 14 1 1 A 54 54 TRP CB C 54 29.200 29.288 -0.088 1
1 482 . 14 1 1 A 54 54 TRP N N 54 124.000 122.285 1.715 1
1 484 . 14 1 1 A 55 55 ALA H H 55 8.810 8.446 0.364 1
1 485 . 14 1 1 A 55 55 ALA HA H 55 3.220 3.832 -0.612 1
1 489 . 14 1 1 A 55 55 ALA CA C 55 55.100 55.298 -0.198 1
1 490 . 14 1 1 A 55 55 ALA CB C 55 17.500 18.011 -0.511 1
1 491 . 14 1 1 A 55 55 ALA N N 55 120.800 121.516 -0.716 1
1 492 . 14 1 1 A 56 56 GLU H H 56 7.460 8.231 -0.771 1
1 493 . 14 1 1 A 56 56 GLU HA H 56 3.880 4.027 -0.147 1
1 498 . 14 1 1 A 56 56 GLU CA C 56 59.200 59.358 -0.158 1
1 499 . 14 1 1 A 56 56 GLU CB C 56 29.500 29.066 0.434 1
1 501 . 14 1 1 A 56 56 GLU N N 56 114.800 117.613 -2.813 1
1 502 . 14 1 1 A 57 57 GLY H H 57 7.650 8.115 -0.465 1
1 503 . 14 1 1 A 57 57 GLY HA2 H 57 3.490 3.744 -0.254 1
1 504 . 14 1 1 A 57 57 GLY HA3 H 57 3.850 3.778 0.072 1
1 505 . 14 1 1 A 57 57 GLY CA C 57 47.100 46.990 0.110 1
1 506 . 14 1 1 A 57 57 GLY N N 57 106.000 108.824 -2.824 1
1 507 . 14 1 1 A 58 58 ALA H H 58 8.950 8.042 0.908 1
1 508 . 14 1 1 A 58 58 ALA HA H 58 3.640 3.692 -0.052 1
1 512 . 14 1 1 A 58 58 ALA CA C 58 54.500 54.507 -0.007 1
1 513 . 14 1 1 A 58 58 ALA CB C 58 16.700 18.488 -1.788 1
1 514 . 14 1 1 A 58 58 ALA N N 58 127.400 124.784 2.616 1
1 515 . 14 1 1 A 59 59 LEU H H 59 8.370 8.331 0.039 1
1 516 . 14 1 1 A 59 59 LEU HA H 59 3.920 3.871 0.049 1
1 526 . 14 1 1 A 59 59 LEU CA C 59 57.300 57.568 -0.268 1
1 527 . 14 1 1 A 59 59 LEU CB C 59 40.800 40.923 -0.123 1
1 531 . 14 1 1 A 59 59 LEU N N 59 116.800 118.908 -2.108 1
1 532 . 14 1 1 A 60 60 GLU H H 60 7.310 7.969 -0.659 1
1 533 . 14 1 1 A 60 60 GLU HA H 60 4.030 3.959 0.071 1
1 538 . 14 1 1 A 60 60 GLU CA C 60 58.800 59.170 -0.370 1
1 539 . 14 1 1 A 60 60 GLU CB C 60 28.900 29.395 -0.495 1
1 541 . 14 1 1 A 60 60 GLU N N 60 119.000 120.882 -1.882 1
1 542 . 14 1 1 A 61 61 LEU H H 61 7.700 7.724 -0.024 1
1 543 . 14 1 1 A 61 61 LEU HA H 61 4.000 4.000 0.000 1
1 553 . 14 1 1 A 61 61 LEU CA C 61 58.100 58.136 -0.036 1
1 554 . 14 1 1 A 61 61 LEU CB C 61 41.400 41.599 -0.199 1
1 558 . 14 1 1 A 61 61 LEU N N 61 120.800 120.641 0.159 1
1 559 . 14 1 1 A 62 62 ILE H H 62 7.510 7.900 -0.390 1
1 560 . 14 1 1 A 62 62 ILE HA H 62 4.040 3.987 0.053 1
1 570 . 14 1 1 A 62 62 ILE CA C 62 63.200 63.635 -0.435 1
1 571 . 14 1 1 A 62 62 ILE CB C 62 37.200 37.505 -0.305 1
1 575 . 14 1 1 A 62 62 ILE N N 62 110.700 114.622 -3.922 1
1 576 . 14 1 1 A 63 63 LYS H H 63 7.520 7.491 0.029 1
1 577 . 14 1 1 A 63 63 LYS HA H 63 4.070 4.004 0.066 1
1 586 . 14 1 1 A 63 63 LYS CA C 63 58.600 59.111 -0.511 1
1 587 . 14 1 1 A 63 63 LYS CB C 63 32.800 32.246 0.554 1
1 590 . 14 1 1 A 63 63 LYS N N 63 121.100 121.741 -0.641 1
1 591 . 14 1 1 A 64 64 VAL H H 64 7.630 7.553 0.077 1
1 592 . 14 1 1 A 64 64 VAL HA H 64 3.950 3.500 0.450 1
1 600 . 14 1 1 A 64 64 VAL CA C 64 63.900 66.698 -2.798 1
1 601 . 14 1 1 A 64 64 VAL CB C 64 32.400 31.816 0.584 1
1 604 . 14 1 1 A 64 64 VAL N N 64 115.200 119.345 -4.145 1
1 605 . 14 1 1 A 65 65 ARG H H 65 7.980 7.463 0.517 1
1 606 . 14 1 1 A 65 65 ARG HA H 65 4.390 4.840 -0.450 1
1 613 . 14 1 1 A 65 65 ARG CA C 65 55.200 53.703 1.497 1
1 614 . 14 1 1 A 65 65 ARG CB C 65 31.500 33.180 -1.680 1
1 617 . 14 1 1 A 65 65 ARG N N 65 118.300 116.416 1.884 1
1 618 . 14 1 1 A 66 66 ARG HA H 66 4.340 4.757 -0.417 1
1 621 . 14 1 1 A 66 66 ARG CA C 66 54.900 52.437 2.463 1
1 622 . 14 1 1 A 66 66 ARG CB C 66 29.200 30.679 -1.479 1
1 629 . 14 1 1 A 68 68 LYS HA H 68 4.100 4.416 -0.316 1
1 638 . 14 1 1 A 68 68 LYS CA C 68 57.900 56.200 1.700 1
1 639 . 14 1 1 A 68 68 LYS CB C 68 34.100 34.637 -0.537 1
1 643 . 14 1 1 A 69 69 TYR HA H 69 4.760 4.444 0.316 1
1 650 . 14 1 1 A 69 69 TYR CA C 69 57.800 59.042 -1.242 1
1 651 . 14 1 1 A 69 69 TYR CB C 69 39.600 40.094 -0.494 1
1 654 . 14 1 1 A 70 70 VAL H H 70 6.950 7.275 -0.325 1
1 655 . 14 1 1 A 70 70 VAL HA H 70 4.720 4.470 0.250 1
1 663 . 14 1 1 A 70 70 VAL CA C 70 60.000 59.879 0.121 1
1 664 . 14 1 1 A 70 70 VAL CB C 70 34.500 34.294 0.206 1
1 667 . 14 1 1 A 70 70 VAL N N 70 115.400 118.791 -3.391 1
1 668 . 14 1 1 A 71 71 HIS H H 71 7.870 8.968 -1.098 1
1 669 . 14 1 1 A 71 71 HIS HA H 71 4.910 5.090 -0.180 1
1 673 . 14 1 1 A 71 71 HIS CA C 71 54.100 54.426 -0.326 1
1 674 . 14 1 1 A 71 71 HIS CB C 71 33.700 32.740 0.960 1
1 676 . 14 1 1 A 71 71 HIS N N 71 120.600 125.867 -5.267 1
1 677 . 14 1 1 A 72 72 LYS H H 72 8.400 9.009 -0.609 1
1 678 . 14 1 1 A 72 72 LYS HA H 72 3.680 3.967 -0.287 1
1 687 . 14 1 1 A 72 72 LYS CA C 72 60.600 59.136 1.464 1
1 688 . 14 1 1 A 72 72 LYS CB C 72 32.800 32.103 0.697 1
1 692 . 14 1 1 A 73 73 GLU H H 73 9.680 8.529 1.151 1
1 693 . 14 1 1 A 73 73 GLU HA H 73 4.170 4.074 0.096 1
1 698 . 14 1 1 A 73 73 GLU CA C 73 60.000 59.309 0.691 1
1 699 . 14 1 1 A 73 73 GLU CB C 73 28.300 29.431 -1.131 1
1 701 . 14 1 1 A 73 73 GLU N N 73 117.300 119.266 -1.966 1
1 702 . 14 1 1 A 74 74 GLN H H 74 7.360 7.933 -0.573 1
1 703 . 14 1 1 A 74 74 GLN HA H 74 4.180 4.098 0.082 1
1 710 . 14 1 1 A 74 74 GLN CA C 74 58.300 58.818 -0.518 1
1 711 . 14 1 1 A 74 74 GLN CB C 74 28.300 28.333 -0.033 1
1 713 . 14 1 1 A 74 74 GLN N N 74 117.700 118.831 -1.131 1
1 715 . 14 1 1 A 75 75 ILE H H 75 7.530 7.848 -0.318 1
1 716 . 14 1 1 A 75 75 ILE HA H 75 3.780 3.863 -0.083 1
1 726 . 14 1 1 A 75 75 ILE CA C 75 64.100 65.667 -1.567 1
1 727 . 14 1 1 A 75 75 ILE CB C 75 36.800 37.768 -0.968 1
1 731 . 14 1 1 A 75 75 ILE N N 75 120.600 121.283 -0.683 1
1 732 . 14 1 1 A 76 76 GLU H H 76 8.340 7.825 0.515 1
1 733 . 14 1 1 A 76 76 GLU HA H 76 3.970 4.100 -0.130 1
1 738 . 14 1 1 A 76 76 GLU CA C 76 59.200 59.359 -0.159 1
1 739 . 14 1 1 A 76 76 GLU CB C 76 29.700 28.949 0.751 1
1 741 . 14 1 1 A 76 76 GLU N N 76 117.500 120.729 -3.229 1
1 742 . 14 1 1 A 77 77 ALA H H 77 7.390 8.451 -1.061 1
1 743 . 14 1 1 A 77 77 ALA HA H 77 4.370 4.138 0.232 1
1 747 . 14 1 1 A 77 77 ALA CA C 77 53.400 55.163 -1.763 1
1 748 . 14 1 1 A 77 77 ALA CB C 77 18.800 18.422 0.378 1
1 749 . 14 1 1 A 77 77 ALA N N 77 118.600 123.403 -4.803 1
1 750 . 14 1 1 A 78 78 VAL H H 78 7.620 8.582 -0.962 1
1 751 . 14 1 1 A 78 78 VAL HA H 78 3.720 3.452 0.268 1
1 759 . 14 1 1 A 78 78 VAL CA C 78 66.700 67.126 -0.426 1
1 760 . 14 1 1 A 78 78 VAL CB C 78 31.500 31.457 0.043 1
1 763 . 14 1 1 A 78 78 VAL N N 78 116.800 118.961 -2.161 1
1 764 . 14 1 1 A 79 79 LYS H H 79 8.570 8.069 0.501 1
1 765 . 14 1 1 A 79 79 LYS HA H 79 3.780 4.009 -0.229 1
1 774 . 14 1 1 A 79 79 LYS CA C 79 61.800 59.984 1.816 1
1 775 . 14 1 1 A 79 79 LYS CB C 79 31.500 32.367 -0.867 1
1 779 . 14 1 1 A 79 79 LYS N N 79 119.500 120.301 -0.801 1
1 780 . 14 1 1 A 80 80 ASP H H 80 8.350 7.903 0.447 1
1 781 . 14 1 1 A 80 80 ASP HA H 80 4.490 4.384 0.106 1
1 784 . 14 1 1 A 80 80 ASP CA C 80 57.300 57.362 -0.062 1
1 785 . 14 1 1 A 80 80 ASP CB C 80 40.000 41.095 -1.095 1
1 786 . 14 1 1 A 80 80 ASP N N 80 115.500 119.633 -4.133 1
1 787 . 14 1 1 A 81 81 ASN H H 81 7.690 8.710 -1.020 1
1 788 . 14 1 1 A 81 81 ASN HA H 81 4.540 4.372 0.168 1
1 793 . 14 1 1 A 81 81 ASN CA C 81 55.500 56.419 -0.919 1
1 794 . 14 1 1 A 81 81 ASN CB C 81 38.600 37.802 0.798 1
1 795 . 14 1 1 A 81 81 ASN N N 81 118.300 117.976 0.324 1
1 797 . 14 1 1 A 82 82 PHE H H 82 9.620 8.566 1.054 1
1 798 . 14 1 1 A 82 82 PHE HA H 82 4.060 4.096 -0.036 1
1 806 . 14 1 1 A 82 82 PHE CA C 82 60.900 61.380 -0.480 1
1 807 . 14 1 1 A 82 82 PHE CB C 82 39.500 39.228 0.272 1
1 811 . 14 1 1 A 82 82 PHE N N 82 121.400 122.591 -1.191 1
1 812 . 14 1 1 A 83 83 LEU H H 83 8.210 8.707 -0.497 1
1 813 . 14 1 1 A 83 83 LEU HA H 83 3.900 3.866 0.034 1
1 823 . 14 1 1 A 83 83 LEU CA C 83 57.000 57.966 -0.966 1
1 824 . 14 1 1 A 83 83 LEU CB C 83 40.400 41.341 -0.941 1
1 828 . 14 1 1 A 83 83 LEU N N 83 117.400 119.250 -1.850 1
1 829 . 14 1 1 A 84 84 GLU H H 84 7.660 7.872 -0.212 1
1 830 . 14 1 1 A 84 84 GLU HA H 84 4.150 4.048 0.102 1
1 835 . 14 1 1 A 84 84 GLU CA C 84 59.500 59.122 0.378 1
1 836 . 14 1 1 A 84 84 GLU CB C 84 28.700 29.369 -0.669 1
1 838 . 14 1 1 A 84 84 GLU N N 84 121.500 119.977 1.523 1
1 839 . 14 1 1 A 85 85 LEU H H 85 8.100 8.385 -0.285 1
1 840 . 14 1 1 A 85 85 LEU HA H 85 3.600 3.774 -0.174 1
1 850 . 14 1 1 A 85 85 LEU CA C 85 59.300 58.166 1.134 1
1 851 . 14 1 1 A 85 85 LEU CB C 85 41.800 41.277 0.523 1
1 855 . 14 1 1 A 85 85 LEU N N 85 121.700 121.203 0.497 1
1 856 . 14 1 1 A 86 86 VAL H H 86 8.220 7.979 0.241 1
1 857 . 14 1 1 A 86 86 VAL HA H 86 3.100 3.440 -0.340 1
1 865 . 14 1 1 A 86 86 VAL CA C 86 67.200 66.774 0.426 1
1 866 . 14 1 1 A 86 86 VAL CB C 86 31.500 31.369 0.131 1
1 869 . 14 1 1 A 86 86 VAL N N 86 118.400 119.064 -0.664 1
1 870 . 14 1 1 A 87 87 LEU H H 87 8.450 7.956 0.494 1
1 871 . 14 1 1 A 87 87 LEU HA H 87 3.960 4.036 -0.076 1
1 881 . 14 1 1 A 87 87 LEU CA C 87 59.100 58.672 0.428 1
1 882 . 14 1 1 A 87 87 LEU CB C 87 42.300 41.455 0.845 1
1 886 . 14 1 1 A 87 87 LEU N N 87 120.200 119.716 0.484 1
1 887 . 14 1 1 A 88 88 GLN H H 88 9.350 8.385 0.965 1
1 888 . 14 1 1 A 88 88 GLN HA H 88 4.180 4.140 0.040 1
1 895 . 14 1 1 A 88 88 GLN CA C 88 57.300 59.367 -2.067 1
1 896 . 14 1 1 A 88 88 GLN CB C 88 25.400 28.393 -2.993 1
1 898 . 14 1 1 A 88 88 GLN N N 88 114.900 118.677 -3.777 1
1 900 . 14 1 1 A 89 89 SER H H 89 8.680 7.960 0.720 1
1 901 . 14 1 1 A 89 89 SER HA H 89 4.080 4.346 -0.266 1
1 904 . 14 1 1 A 89 89 SER CA C 89 61.900 61.211 0.689 1
1 905 . 14 1 1 A 89 89 SER CB C 89 62.200 62.908 -0.708 1
1 906 . 14 1 1 A 89 89 SER N N 89 117.500 115.902 1.598 1
1 907 . 14 1 1 A 90 90 TYR H H 90 7.330 7.591 -0.261 1
1 908 . 14 1 1 A 90 90 TYR HA H 90 4.320 4.126 0.194 1
1 915 . 14 1 1 A 90 90 TYR CA C 90 59.700 60.425 -0.725 1
1 916 . 14 1 1 A 90 90 TYR CB C 90 41.400 38.682 2.718 1
1 919 . 14 1 1 A 90 90 TYR N N 90 116.000 119.366 -3.366 1
1 920 . 14 1 1 A 91 91 VAL H H 91 7.730 7.343 0.387 1
1 921 . 14 1 1 A 91 91 VAL HA H 91 4.010 4.003 0.007 1
1 929 . 14 1 1 A 91 91 VAL CA C 91 62.600 64.801 -2.201 1
1 930 . 14 1 1 A 91 91 VAL CB C 91 32.700 32.530 0.170 1
1 933 . 14 1 1 A 91 91 VAL N N 91 110.500 114.341 -3.841 1
1 934 . 14 1 1 A 92 92 HIS H H 92 8.600 8.133 0.467 1
1 935 . 14 1 1 A 92 92 HIS HA H 92 4.280 4.292 -0.012 1
1 939 . 14 1 1 A 92 92 HIS CA C 92 56.000 56.827 -0.827 1
1 940 . 14 1 1 A 92 92 HIS CB C 92 29.200 26.659 2.541 1
1 942 . 14 1 1 A 92 92 HIS N N 92 114.500 116.044 -1.544 1
1 943 . 14 1 1 A 93 93 HIS H H 93 8.350 8.152 0.198 1
1 944 . 14 1 1 A 93 93 HIS HA H 93 4.780 4.360 0.420 1
1 948 . 14 1 1 A 93 93 HIS CA C 93 57.600 59.367 -1.767 1
1 949 . 14 1 1 A 93 93 HIS CB C 93 31.900 30.530 1.370 1
1 951 . 14 1 1 A 93 93 HIS N N 93 118.200 118.028 0.172 1
1 952 . 14 1 1 A 94 94 ILE H H 94 7.470 7.640 -0.170 1
1 953 . 14 1 1 A 94 94 ILE HA H 94 4.370 4.277 0.093 1
1 963 . 14 1 1 A 94 94 ILE CA C 94 60.900 59.238 1.662 1
1 964 . 14 1 1 A 94 94 ILE CB C 94 39.600 39.391 0.209 1
1 968 . 14 1 1 A 94 94 ILE N N 94 111.400 114.845 -3.445 1
1 969 . 14 1 1 A 95 95 HIS H H 95 6.990 8.356 -1.366 1
1 970 . 14 1 1 A 96 96 LYS HA H 96 4.040 4.074 -0.034 1
1 977 . 14 1 1 A 97 97 LYS HA H 97 4.130 4.029 0.101 1
1 986 . 14 1 1 A 97 97 LYS CA C 97 59.400 60.139 -0.739 1
1 987 . 14 1 1 A 97 97 LYS CB C 97 32.000 32.233 -0.233 1
1 991 . 14 1 1 A 98 98 ARG H H 98 7.150 7.987 -0.837 1
1 992 . 14 1 1 A 98 98 ARG HA H 98 4.150 4.035 0.115 1
1 999 . 14 1 1 A 98 98 ARG CA C 98 57.900 59.137 -1.237 1
1 1000 . 14 1 1 A 98 98 ARG CB C 98 28.600 29.966 -1.366 1
1 1003 . 14 1 1 A 98 98 ARG N N 98 118.500 119.559 -1.059 1
1 1004 . 14 1 1 A 99 99 PHE H H 99 8.260 8.320 -0.060 1
1 1005 . 14 1 1 A 99 99 PHE HA H 99 3.450 4.051 -0.601 1
1 1013 . 14 1 1 A 99 99 PHE CA C 99 62.700 61.210 1.490 1
1 1014 . 14 1 1 A 99 99 PHE CB C 99 39.200 38.955 0.245 1
1 1018 . 14 1 1 A 99 99 PHE N N 99 119.100 120.404 -1.304 1
1 1019 . 14 1 1 A 100 100 LYS H H 100 8.500 8.849 -0.349 1
1 1020 . 14 1 1 A 100 100 LYS HA H 100 3.980 4.057 -0.077 1
1 1029 . 14 1 1 A 100 100 LYS CA C 100 59.300 59.328 -0.028 1
1 1030 . 14 1 1 A 100 100 LYS CB C 100 31.900 31.968 -0.068 1
1 1034 . 14 1 1 A 100 100 LYS N N 100 121.700 117.976 3.724 1
1 1035 . 14 1 1 A 101 101 ASP H H 101 8.150 7.832 0.318 1
1 1036 . 14 1 1 A 101 101 ASP HA H 101 4.290 4.416 -0.126 1
1 1039 . 14 1 1 A 101 101 ASP CA C 101 57.300 57.634 -0.334 1
1 1040 . 14 1 1 A 101 101 ASP CB C 101 39.900 41.522 -1.622 1
1 1041 . 14 1 1 A 101 101 ASP N N 101 119.800 119.310 0.490 1
1 1042 . 14 1 1 A 102 102 ILE H H 102 8.220 8.045 0.175 1
1 1043 . 14 1 1 A 102 102 ILE HA H 102 3.690 3.599 0.091 1
1 1053 . 14 1 1 A 102 102 ILE CA C 102 65.000 65.160 -0.160 1
1 1054 . 14 1 1 A 102 102 ILE CB C 102 37.700 37.752 -0.052 1
1 1058 . 14 1 1 A 102 102 ILE N N 102 118.800 119.305 -0.505 1
1 1059 . 14 1 1 A 103 103 THR H H 103 7.930 8.505 -0.575 1
1 1060 . 14 1 1 A 103 103 THR HA H 103 3.480 3.731 -0.251 1
1 1066 . 14 1 1 A 103 103 THR CA C 103 67.300 67.014 0.286 1
1 1067 . 14 1 1 A 103 103 THR CB C 103 67.700 68.254 -0.554 1
1 1069 . 14 1 1 A 103 103 THR N N 103 117.900 117.657 0.243 1
1 1070 . 14 1 1 A 104 104 GLU H H 104 8.470 8.659 -0.189 1
1 1071 . 14 1 1 A 104 104 GLU HA H 104 3.920 3.917 0.003 1
1 1076 . 14 1 1 A 104 104 GLU CA C 104 59.500 59.739 -0.239 1
1 1077 . 14 1 1 A 104 104 GLU CB C 104 29.200 29.215 -0.015 1
1 1079 . 14 1 1 A 104 104 GLU N N 104 118.900 120.347 -1.447 1
1 1080 . 14 1 1 A 105 105 SER H H 105 7.840 8.140 -0.300 1
1 1081 . 14 1 1 A 105 105 SER HA H 105 4.290 4.287 0.003 1
1 1084 . 14 1 1 A 105 105 SER CA C 105 60.900 61.773 -0.873 1
1 1085 . 14 1 1 A 105 105 SER CB C 105 62.700 63.079 -0.379 1
1 1086 . 14 1 1 A 105 105 SER N N 105 114.200 115.747 -1.547 1
1 1087 . 14 1 1 A 106 106 VAL H H 106 8.290 8.077 0.213 1
1 1088 . 14 1 1 A 106 106 VAL HA H 106 3.690 3.656 0.034 1
1 1096 . 14 1 1 A 106 106 VAL CA C 106 66.300 66.920 -0.620 1
1 1097 . 14 1 1 A 106 106 VAL CB C 106 31.900 31.761 0.139 1
1 1100 . 14 1 1 A 106 106 VAL N N 106 122.100 120.951 1.149 1
1 1101 . 14 1 1 A 107 107 LEU H H 107 8.560 8.748 -0.188 1
1 1102 . 14 1 1 A 107 107 LEU HA H 107 3.900 3.981 -0.081 1
1 1112 . 14 1 1 A 107 107 LEU CA C 107 58.300 58.464 -0.164 1
1 1113 . 14 1 1 A 107 107 LEU CB C 107 41.200 42.237 -1.037 1
1 1117 . 14 1 1 A 107 107 LEU N N 107 117.500 118.200 -0.700 1
1 1118 . 14 1 1 A 108 108 TYR H H 108 8.450 8.990 -0.540 1
1 1119 . 14 1 1 A 108 108 TYR HA H 108 4.170 4.099 0.071 1
1 1126 . 14 1 1 A 108 108 TYR CA C 108 61.800 61.917 -0.117 1
1 1127 . 14 1 1 A 108 108 TYR CB C 108 37.900 38.627 -0.727 1
1 1130 . 14 1 1 A 108 108 TYR N N 108 119.000 119.481 -0.481 1
1 1131 . 14 1 1 A 109 109 THR H H 109 7.800 7.996 -0.196 1
1 1132 . 14 1 1 A 109 109 THR HA H 109 3.860 4.054 -0.194 1
1 1137 . 14 1 1 A 109 109 THR CA C 109 66.800 67.399 -0.599 1
1 1138 . 14 1 1 A 109 109 THR CB C 109 67.800 68.096 -0.296 1
1 1140 . 14 1 1 A 109 109 THR N N 109 116.500 116.030 0.470 1
1 1141 . 14 1 1 A 110 110 LEU H H 110 8.510 8.566 -0.056 1
1 1142 . 14 1 1 A 110 110 LEU HA H 110 3.900 4.089 -0.189 1
1 1152 . 14 1 1 A 110 110 LEU CA C 110 58.500 57.804 0.696 1
1 1153 . 14 1 1 A 110 110 LEU CB C 110 41.300 41.932 -0.632 1
1 1157 . 14 1 1 A 110 110 LEU N N 110 121.000 120.879 0.121 1
1 1158 . 14 1 1 A 111 111 HIS H H 111 8.440 8.806 -0.366 1
1 1159 . 14 1 1 A 111 111 HIS HA H 111 4.000 4.263 -0.263 1
1 1163 . 14 1 1 A 111 111 HIS CA C 111 60.900 60.281 0.619 1
1 1164 . 14 1 1 A 111 111 HIS CB C 111 29.700 29.309 0.391 1
1 1166 . 14 1 1 A 111 111 HIS N N 111 116.300 117.764 -1.464 1
1 1167 . 14 1 1 A 112 112 ALA H H 112 7.920 7.961 -0.041 1
1 1168 . 14 1 1 A 112 112 ALA HA H 112 4.130 3.805 0.325 1
1 1172 . 14 1 1 A 112 112 ALA CA C 112 55.000 54.999 0.001 1
1 1173 . 14 1 1 A 112 112 ALA CB C 112 17.600 18.106 -0.506 1
1 1174 . 14 1 1 A 112 112 ALA N N 112 122.900 122.185 0.715 1
1 1175 . 14 1 1 A 113 113 VAL H H 113 8.300 8.147 0.153 1
1 1176 . 14 1 1 A 113 113 VAL HA H 113 3.540 3.481 0.059 1
1 1184 . 14 1 1 A 113 113 VAL CA C 113 67.200 66.320 0.880 1
1 1185 . 14 1 1 A 113 113 VAL CB C 113 31.000 31.712 -0.712 1
1 1188 . 14 1 1 A 113 113 VAL N N 113 119.000 118.836 0.164 1
1 1189 . 14 1 1 A 114 114 LYS H H 114 8.220 8.598 -0.378 1
1 1190 . 14 1 1 A 114 114 LYS HA H 114 3.810 3.911 -0.101 1
1 1199 . 14 1 1 A 114 114 LYS CA C 114 60.800 59.823 0.977 1
1 1200 . 14 1 1 A 114 114 LYS CB C 114 31.500 32.094 -0.594 1
1 1204 . 14 1 1 A 114 114 LYS N N 114 120.600 120.516 0.084 1
1 1205 . 14 1 1 A 115 115 ASP H H 115 8.180 8.318 -0.138 1
1 1206 . 14 1 1 A 115 115 ASP HA H 115 4.300 4.209 0.091 1
1 1209 . 14 1 1 A 115 115 ASP CA C 115 56.800 57.464 -0.664 1
1 1210 . 14 1 1 A 115 115 ASP CB C 115 39.600 41.736 -2.136 1
1 1211 . 14 1 1 A 115 115 ASP N N 115 118.800 119.037 -0.237 1
1 1212 . 14 1 1 A 116 116 GLU H H 116 7.990 8.011 -0.021 1
1 1213 . 14 1 1 A 116 116 GLU HA H 116 4.060 4.094 -0.034 1
1 1218 . 14 1 1 A 116 116 GLU CA C 116 58.400 58.959 -0.559 1
1 1219 . 14 1 1 A 116 116 GLU CB C 116 29.000 29.494 -0.494 1
1 1221 . 14 1 1 A 116 116 GLU N N 116 120.800 117.571 3.229 1
1 1222 . 14 1 1 A 117 117 ILE H H 117 8.370 8.383 -0.013 1
1 1223 . 14 1 1 A 117 117 ILE HA H 117 3.610 3.613 -0.003 1
1 1233 . 14 1 1 A 117 117 ILE CA C 117 64.800 65.824 -1.024 1
1 1234 . 14 1 1 A 117 117 ILE CB C 117 38.600 38.529 0.071 1
1 1238 . 14 1 1 A 117 117 ILE N N 117 119.700 121.416 -1.716 1
1 1239 . 14 1 1 A 118 118 ALA H H 118 7.720 8.240 -0.520 1
1 1240 . 14 1 1 A 118 118 ALA HA H 118 4.250 4.140 0.110 1
1 1244 . 14 1 1 A 118 118 ALA CA C 118 52.900 54.042 -1.142 1
1 1245 . 14 1 1 A 118 118 ALA CB C 118 18.700 18.353 0.347 1
1 1246 . 14 1 1 A 118 118 ALA N N 118 119.900 121.992 -2.092 1
1 1247 . 14 1 1 A 119 119 ARG H H 119 7.450 7.586 -0.136 1
1 1248 . 14 1 1 A 119 119 ARG HA H 119 4.110 4.201 -0.091 1
1 1255 . 14 1 1 A 119 119 ARG CA C 119 57.600 57.707 -0.107 1
1 1256 . 14 1 1 A 119 119 ARG CB C 119 31.000 30.190 0.810 1
1 1259 . 14 1 1 A 119 119 ARG N N 119 118.400 118.109 0.291 1
1 1260 . 14 1 1 A 120 120 GLU H H 120 8.890 7.955 0.935 1
1 1261 . 14 1 1 A 120 120 GLU HA H 120 4.280 4.263 0.017 1
1 1266 . 14 1 1 A 120 120 GLU CA C 120 57.600 58.565 -0.965 1
1 1267 . 14 1 1 A 120 120 GLU CB C 120 30.100 30.234 -0.134 1
1 1269 . 14 1 1 A 120 120 GLU N N 120 114.900 117.953 -3.053 1
1 1 . 15 1 1 A 6 6 LEU HA H 6 4.230 4.070 0.160 1
1 11 . 15 1 1 A 6 6 LEU CA C 6 58.000 58.328 -0.328 1
1 12 . 15 1 1 A 6 6 LEU CB C 6 40.900 41.232 -0.332 1
1 16 . 15 1 1 A 7 7 LEU H H 7 8.970 8.043 0.927 1
1 17 . 15 1 1 A 7 7 LEU HA H 7 3.970 4.012 -0.042 1
1 27 . 15 1 1 A 7 7 LEU CA C 7 58.500 58.485 0.015 1
1 28 . 15 1 1 A 7 7 LEU CB C 7 41.000 41.298 -0.298 1
1 32 . 15 1 1 A 7 7 LEU N N 7 124.300 120.083 4.217 1
1 33 . 15 1 1 A 8 8 GLU H H 8 7.910 8.127 -0.217 1
1 34 . 15 1 1 A 8 8 GLU HA H 8 4.040 4.000 0.040 1
1 39 . 15 1 1 A 8 8 GLU CA C 8 59.500 59.571 -0.071 1
1 40 . 15 1 1 A 8 8 GLU CB C 8 29.200 29.345 -0.145 1
1 42 . 15 1 1 A 8 8 GLU N N 8 119.000 118.434 0.566 1
1 43 . 15 1 1 A 9 9 MET H H 9 8.520 7.659 0.861 1
1 44 . 15 1 1 A 9 9 MET HA H 9 4.030 4.191 -0.161 1
1 52 . 15 1 1 A 9 9 MET CA C 9 59.900 58.436 1.464 1
1 53 . 15 1 1 A 9 9 MET CB C 9 36.000 32.057 3.943 1
1 56 . 15 1 1 A 9 9 MET N N 9 117.500 119.721 -2.221 1
1 57 . 15 1 1 A 10 10 THR H H 10 8.470 8.015 0.455 1
1 58 . 15 1 1 A 10 10 THR HA H 10 3.550 3.963 -0.413 1
1 64 . 15 1 1 A 10 10 THR CA C 10 67.200 67.721 -0.521 1
1 65 . 15 1 1 A 10 10 THR CB C 10 68.500 68.205 0.295 1
1 67 . 15 1 1 A 10 10 THR N N 10 116.600 115.273 1.327 1
1 68 . 15 1 1 A 11 11 GLU H H 11 8.500 8.847 -0.347 1
1 69 . 15 1 1 A 11 11 GLU HA H 11 3.910 3.919 -0.009 1
1 74 . 15 1 1 A 11 11 GLU CA C 11 59.400 59.940 -0.540 1
1 75 . 15 1 1 A 11 11 GLU CB C 11 29.200 29.163 0.037 1
1 77 . 15 1 1 A 11 11 GLU N N 11 119.400 119.798 -0.398 1
1 78 . 15 1 1 A 12 12 GLN H H 12 8.140 7.902 0.238 1
1 79 . 15 1 1 A 12 12 GLN HA H 12 4.100 4.071 0.029 1
1 86 . 15 1 1 A 12 12 GLN CA C 12 59.000 58.816 0.184 1
1 87 . 15 1 1 A 12 12 GLN CB C 12 27.800 28.395 -0.595 1
1 89 . 15 1 1 A 12 12 GLN N N 12 120.400 119.976 0.424 1
1 91 . 15 1 1 A 13 13 MET H H 13 8.120 7.949 0.171 1
1 92 . 15 1 1 A 13 13 MET HA H 13 3.710 4.101 -0.391 1
1 100 . 15 1 1 A 13 13 MET CA C 13 59.600 58.129 1.471 1
1 101 . 15 1 1 A 13 13 MET CB C 13 33.300 31.817 1.483 1
1 104 . 15 1 1 A 13 13 MET N N 13 118.500 118.711 -0.211 1
1 105 . 15 1 1 A 14 14 ILE H H 14 8.040 8.374 -0.334 1
1 106 . 15 1 1 A 14 14 ILE HA H 14 3.270 3.514 -0.244 1
1 116 . 15 1 1 A 14 14 ILE CA C 14 65.700 65.018 0.682 1
1 117 . 15 1 1 A 14 14 ILE CB C 14 38.000 37.767 0.233 1
1 121 . 15 1 1 A 14 14 ILE N N 14 119.400 119.715 -0.315 1
1 122 . 15 1 1 A 15 15 GLU H H 15 7.700 8.294 -0.594 1
1 123 . 15 1 1 A 15 15 GLU HA H 15 4.110 3.964 0.146 1
1 128 . 15 1 1 A 15 15 GLU CA C 15 59.300 59.460 -0.160 1
1 129 . 15 1 1 A 15 15 GLU CB C 15 29.200 29.479 -0.279 1
1 131 . 15 1 1 A 15 15 GLU N N 15 119.000 121.233 -2.233 1
1 132 . 15 1 1 A 16 16 VAL H H 16 8.410 8.108 0.302 1
1 133 . 15 1 1 A 16 16 VAL HA H 16 3.530 3.679 -0.149 1
1 141 . 15 1 1 A 16 16 VAL CA C 16 66.600 66.606 -0.006 1
1 142 . 15 1 1 A 16 16 VAL CB C 16 31.900 31.706 0.194 1
1 145 . 15 1 1 A 16 16 VAL N N 16 119.500 120.514 -1.014 1
1 146 . 15 1 1 A 17 17 ALA H H 17 8.600 7.957 0.643 1
1 147 . 15 1 1 A 17 17 ALA HA H 17 4.080 3.999 0.081 1
1 151 . 15 1 1 A 17 17 ALA CA C 17 54.700 55.843 -1.143 1
1 152 . 15 1 1 A 17 17 ALA CB C 17 17.700 18.096 -0.396 1
1 153 . 15 1 1 A 17 17 ALA N N 17 123.100 122.067 1.033 1
1 154 . 15 1 1 A 18 18 GLU H H 18 8.850 8.372 0.478 1
1 155 . 15 1 1 A 18 18 GLU HA H 18 3.990 3.981 0.009 1
1 160 . 15 1 1 A 18 18 GLU CA C 18 59.500 59.629 -0.129 1
1 161 . 15 1 1 A 18 18 GLU CB C 18 29.700 29.189 0.511 1
1 163 . 15 1 1 A 18 18 GLU N N 18 117.900 118.076 -0.176 1
1 164 . 15 1 1 A 19 19 LYS H H 19 8.750 8.511 0.239 1
1 165 . 15 1 1 A 19 19 LYS HA H 19 4.150 4.071 0.079 1
1 174 . 15 1 1 A 19 19 LYS CA C 19 58.700 59.058 -0.358 1
1 175 . 15 1 1 A 19 19 LYS CB C 19 31.900 32.420 -0.520 1
1 179 . 15 1 1 A 19 19 LYS N N 19 119.200 118.585 0.615 1
1 180 . 15 1 1 A 20 20 GLY H H 20 8.640 8.436 0.204 1
1 181 . 15 1 1 A 20 20 GLY HA2 H 20 3.790 3.817 -0.027 1
1 182 . 15 1 1 A 20 20 GLY HA3 H 20 3.500 3.836 -0.336 1
1 183 . 15 1 1 A 20 20 GLY CA C 20 46.400 47.121 -0.721 1
1 184 . 15 1 1 A 20 20 GLY N N 20 110.300 108.361 1.939 1
1 185 . 15 1 1 A 21 21 ALA H H 21 8.550 7.646 0.904 1
1 186 . 15 1 1 A 21 21 ALA HA H 21 4.490 4.223 0.267 1
1 190 . 15 1 1 A 21 21 ALA CA C 21 55.100 54.664 0.436 1
1 191 . 15 1 1 A 21 21 ALA CB C 21 17.300 18.417 -1.117 1
1 192 . 15 1 1 A 21 21 ALA N N 21 125.300 124.997 0.303 1
1 193 . 15 1 1 A 22 22 ASP H H 22 7.660 8.445 -0.785 1
1 194 . 15 1 1 A 22 22 ASP HA H 22 4.460 4.394 0.066 1
1 197 . 15 1 1 A 22 22 ASP CA C 22 56.900 57.602 -0.702 1
1 198 . 15 1 1 A 22 22 ASP CB C 22 40.500 42.267 -1.767 1
1 199 . 15 1 1 A 22 22 ASP N N 22 119.000 118.501 0.499 1
1 200 . 15 1 1 A 23 23 ARG H H 23 8.110 8.421 -0.311 1
1 201 . 15 1 1 A 23 23 ARG HA H 23 4.000 3.917 0.083 1
1 208 . 15 1 1 A 23 23 ARG CA C 23 59.200 59.010 0.190 1
1 209 . 15 1 1 A 23 23 ARG CB C 23 30.700 29.502 1.198 1
1 212 . 15 1 1 A 23 23 ARG N N 23 121.800 120.092 1.708 1
1 213 . 15 1 1 A 24 24 TYR H H 24 8.460 8.056 0.404 1
1 214 . 15 1 1 A 24 24 TYR HA H 24 3.780 3.983 -0.203 1
1 221 . 15 1 1 A 24 24 TYR CA C 24 60.900 61.402 -0.502 1
1 222 . 15 1 1 A 24 24 TYR CB C 24 39.400 38.443 0.957 1
1 225 . 15 1 1 A 24 24 TYR N N 24 120.400 121.033 -0.633 1
1 226 . 15 1 1 A 25 25 GLN H H 25 7.540 8.464 -0.924 1
1 227 . 15 1 1 A 25 25 GLN HA H 25 3.750 3.756 -0.006 1
1 232 . 15 1 1 A 25 25 GLN CA C 25 57.800 58.574 -0.774 1
1 233 . 15 1 1 A 25 25 GLN CB C 25 28.400 28.399 0.001 1
1 235 . 15 1 1 A 25 25 GLN N N 25 117.500 118.713 -1.213 1
1 236 . 15 1 1 A 26 26 GLU H H 26 7.980 8.250 -0.270 1
1 237 . 15 1 1 A 26 26 GLU HA H 26 4.010 3.937 0.073 1
1 242 . 15 1 1 A 26 26 GLU CA C 26 57.900 58.865 -0.965 1
1 243 . 15 1 1 A 26 26 GLU CB C 26 29.700 29.656 0.044 1
1 245 . 15 1 1 A 26 26 GLU N N 26 117.900 118.280 -0.380 1
1 246 . 15 1 1 A 32 32 HIS HA H 32 4.620 4.711 -0.091 1
1 249 . 15 1 1 A 32 32 HIS CA C 32 56.900 56.233 0.667 1
1 250 . 15 1 1 A 32 32 HIS CB C 32 64.000 30.965 33.035 1
1 251 . 15 1 1 A 33 33 SER HA H 33 4.610 4.041 0.569 1
1 254 . 15 1 1 A 33 33 SER CA C 33 56.900 61.135 -4.235 1
1 255 . 15 1 1 A 33 33 SER CB C 33 64.000 61.096 2.904 1
1 256 . 15 1 1 A 34 34 TYR HA H 34 4.630 4.608 0.022 1
1 263 . 15 1 1 A 34 34 TYR CA C 34 56.900 56.645 0.255 1
1 264 . 15 1 1 A 34 34 TYR CB C 34 40.700 37.163 3.537 1
1 267 . 15 1 1 A 36 36 PHE HA H 36 3.910 4.316 -0.406 1
1 275 . 15 1 1 A 36 36 PHE CA C 36 62.000 60.179 1.821 1
1 276 . 15 1 1 A 36 36 PHE CB C 36 39.200 38.582 0.618 1
1 280 . 15 1 1 A 37 37 PHE H H 37 8.090 8.826 -0.736 1
1 281 . 15 1 1 A 37 37 PHE HA H 37 3.980 3.830 0.150 1
1 289 . 15 1 1 A 37 37 PHE CA C 37 61.600 61.192 0.408 1
1 290 . 15 1 1 A 37 37 PHE CB C 37 38.600 39.214 -0.614 1
1 294 . 15 1 1 A 37 37 PHE N N 37 116.200 119.289 -3.089 1
1 295 . 15 1 1 A 38 38 GLU H H 38 9.000 8.366 0.634 1
1 296 . 15 1 1 A 38 38 GLU HA H 38 4.130 3.890 0.240 1
1 301 . 15 1 1 A 38 38 GLU CA C 38 57.700 59.630 -1.930 1
1 302 . 15 1 1 A 38 38 GLU CB C 38 30.600 29.197 1.403 1
1 304 . 15 1 1 A 38 38 GLU N N 38 116.000 117.399 -1.399 1
1 305 . 15 1 1 A 39 39 THR H H 39 7.390 7.437 -0.047 1
1 306 . 15 1 1 A 39 39 THR HA H 39 4.280 4.366 -0.086 1
1 311 . 15 1 1 A 39 39 THR CA C 39 64.100 64.614 -0.514 1
1 312 . 15 1 1 A 39 39 THR CB C 39 70.000 69.826 0.174 1
1 314 . 15 1 1 A 39 39 THR N N 39 110.400 115.207 -4.807 1
1 315 . 15 1 1 A 40 40 ILE H H 40 7.250 7.992 -0.742 1
1 316 . 15 1 1 A 40 40 ILE HA H 40 2.570 4.041 -1.471 1
1 326 . 15 1 1 A 40 40 ILE CA C 40 65.800 60.619 5.181 1
1 327 . 15 1 1 A 40 40 ILE CB C 40 37.300 35.115 2.185 1
1 331 . 15 1 1 A 40 40 ILE N N 40 120.900 119.219 1.681 1
1 332 . 15 1 1 A 41 41 LYS H H 41 8.400 7.764 0.636 1
1 333 . 15 1 1 A 41 41 LYS HA H 41 3.650 4.381 -0.731 1
1 336 . 15 1 1 A 41 41 LYS CA C 41 59.000 57.438 1.562 1
1 337 . 15 1 1 A 41 41 LYS CB C 41 29.700 34.100 -4.400 1
1 338 . 15 1 1 A 41 41 LYS N N 41 118.800 125.785 -6.985 1
1 339 . 15 1 1 A 42 42 PRO HA H 42 4.280 4.235 0.045 1
1 346 . 15 1 1 A 42 42 PRO CA C 42 65.300 66.142 -0.842 1
1 347 . 15 1 1 A 42 42 PRO CB C 42 30.200 30.571 -0.371 1
1 350 . 15 1 1 A 43 43 ALA H H 43 6.790 8.030 -1.240 1
1 351 . 15 1 1 A 43 43 ALA HA H 43 4.190 4.044 0.146 1
1 355 . 15 1 1 A 43 43 ALA CA C 43 54.900 54.973 -0.073 1
1 356 . 15 1 1 A 43 43 ALA CB C 43 18.000 18.434 -0.434 1
1 357 . 15 1 1 A 43 43 ALA N N 43 119.500 118.848 0.652 1
1 358 . 15 1 1 A 44 44 VAL H H 44 8.380 7.756 0.624 1
1 359 . 15 1 1 A 44 44 VAL HA H 44 3.460 3.555 -0.095 1
1 367 . 15 1 1 A 44 44 VAL CA C 44 67.200 66.522 0.678 1
1 368 . 15 1 1 A 44 44 VAL CB C 44 31.500 31.608 -0.108 1
1 371 . 15 1 1 A 44 44 VAL N N 44 120.500 118.446 2.054 1
1 372 . 15 1 1 A 45 45 GLU H H 45 8.410 7.912 0.498 1
1 373 . 15 1 1 A 45 45 GLU HA H 45 4.060 3.901 0.159 1
1 378 . 15 1 1 A 45 45 GLU CA C 45 59.600 59.914 -0.314 1
1 379 . 15 1 1 A 45 45 GLU CB C 45 29.300 29.682 -0.382 1
1 381 . 15 1 1 A 45 45 GLU N N 45 118.400 118.911 -0.511 1
1 382 . 15 1 1 A 46 46 GLU H H 46 8.390 8.009 0.381 1
1 383 . 15 1 1 A 46 46 GLU HA H 46 4.200 4.063 0.137 1
1 388 . 15 1 1 A 46 46 GLU CA C 46 58.900 59.026 -0.126 1
1 389 . 15 1 1 A 46 46 GLU CB C 46 29.300 29.137 0.163 1
1 391 . 15 1 1 A 46 46 GLU N N 46 118.800 120.796 -1.996 1
1 392 . 15 1 1 A 47 47 ASN H H 47 7.700 8.211 -0.511 1
1 393 . 15 1 1 A 47 47 ASN HA H 47 4.900 4.689 0.211 1
1 398 . 15 1 1 A 47 47 ASN CA C 47 57.100 56.216 0.884 1
1 399 . 15 1 1 A 47 47 ASN CB C 47 39.000 37.910 1.090 1
1 400 . 15 1 1 A 47 47 ASN N N 47 118.000 118.979 -0.979 1
1 402 . 15 1 1 A 48 48 ASP H H 48 8.810 8.609 0.201 1
1 403 . 15 1 1 A 48 48 ASP HA H 48 4.520 4.338 0.182 1
1 406 . 15 1 1 A 48 48 ASP CA C 48 57.800 57.723 0.077 1
1 407 . 15 1 1 A 48 48 ASP CB C 48 41.700 42.038 -0.338 1
1 408 . 15 1 1 A 48 48 ASP N N 48 124.000 119.183 4.817 1
1 409 . 15 1 1 A 49 49 GLU H H 49 7.310 8.233 -0.923 1
1 410 . 15 1 1 A 49 49 GLU HA H 49 4.070 4.094 -0.024 1
1 415 . 15 1 1 A 49 49 GLU CA C 49 59.500 59.136 0.364 1
1 416 . 15 1 1 A 49 49 GLU CB C 49 29.300 29.362 -0.062 1
1 418 . 15 1 1 A 49 49 GLU N N 49 117.600 118.009 -0.409 1
1 419 . 15 1 1 A 50 50 LEU H H 50 7.590 8.243 -0.653 1
1 420 . 15 1 1 A 50 50 LEU HA H 50 4.160 4.185 -0.025 1
1 430 . 15 1 1 A 50 50 LEU CA C 50 58.000 58.037 -0.037 1
1 431 . 15 1 1 A 50 50 LEU CB C 50 41.800 41.767 0.033 1
1 435 . 15 1 1 A 50 50 LEU N N 50 119.500 122.581 -3.081 1
1 436 . 15 1 1 A 51 51 ALA H H 51 8.620 8.677 -0.057 1
1 437 . 15 1 1 A 51 51 ALA HA H 51 4.210 3.996 0.214 1
1 441 . 15 1 1 A 51 51 ALA CA C 51 54.900 55.409 -0.509 1
1 442 . 15 1 1 A 51 51 ALA CB C 51 18.600 17.966 0.634 1
1 443 . 15 1 1 A 51 51 ALA N N 51 118.900 120.824 -1.924 1
1 444 . 15 1 1 A 52 52 ALA H H 52 8.410 8.024 0.386 1
1 445 . 15 1 1 A 52 52 ALA HA H 52 4.210 4.096 0.114 1
1 449 . 15 1 1 A 52 52 ALA CA C 52 55.100 55.393 -0.293 1
1 450 . 15 1 1 A 52 52 ALA CB C 52 18.400 18.272 0.128 1
1 451 . 15 1 1 A 52 52 ALA N N 52 119.400 120.890 -1.490 1
1 452 . 15 1 1 A 53 53 ARG H H 53 8.070 8.531 -0.461 1
1 453 . 15 1 1 A 53 53 ARG HA H 53 4.130 4.074 0.056 1
1 460 . 15 1 1 A 53 53 ARG CA C 53 59.100 59.543 -0.443 1
1 461 . 15 1 1 A 53 53 ARG CB C 53 30.900 29.879 1.021 1
1 464 . 15 1 1 A 53 53 ARG N N 53 119.500 117.197 2.303 1
1 465 . 15 1 1 A 54 54 TRP H H 54 9.270 8.594 0.676 1
1 466 . 15 1 1 A 54 54 TRP HA H 54 3.830 4.259 -0.429 1
1 475 . 15 1 1 A 54 54 TRP CA C 54 62.400 61.432 0.968 1
1 476 . 15 1 1 A 54 54 TRP CB C 54 29.200 29.224 -0.024 1
1 482 . 15 1 1 A 54 54 TRP N N 54 124.000 121.798 2.202 1
1 484 . 15 1 1 A 55 55 ALA H H 55 8.810 8.504 0.306 1
1 485 . 15 1 1 A 55 55 ALA HA H 55 3.220 3.774 -0.554 1
1 489 . 15 1 1 A 55 55 ALA CA C 55 55.100 55.286 -0.186 1
1 490 . 15 1 1 A 55 55 ALA CB C 55 17.500 18.157 -0.657 1
1 491 . 15 1 1 A 55 55 ALA N N 55 120.800 121.459 -0.659 1
1 492 . 15 1 1 A 56 56 GLU H H 56 7.460 8.534 -1.074 1
1 493 . 15 1 1 A 56 56 GLU HA H 56 3.880 4.034 -0.154 1
1 498 . 15 1 1 A 56 56 GLU CA C 56 59.200 59.379 -0.179 1
1 499 . 15 1 1 A 56 56 GLU CB C 56 29.500 29.129 0.371 1
1 501 . 15 1 1 A 56 56 GLU N N 56 114.800 117.642 -2.842 1
1 502 . 15 1 1 A 57 57 GLY H H 57 7.650 8.624 -0.974 1
1 503 . 15 1 1 A 57 57 GLY HA2 H 57 3.490 3.756 -0.266 1
1 504 . 15 1 1 A 57 57 GLY HA3 H 57 3.850 3.787 0.063 1
1 505 . 15 1 1 A 57 57 GLY CA C 57 47.100 46.989 0.111 1
1 506 . 15 1 1 A 57 57 GLY N N 57 106.000 109.126 -3.126 1
1 507 . 15 1 1 A 58 58 ALA H H 58 8.950 7.955 0.995 1
1 508 . 15 1 1 A 58 58 ALA HA H 58 3.640 3.713 -0.073 1
1 512 . 15 1 1 A 58 58 ALA CA C 58 54.500 54.567 -0.067 1
1 513 . 15 1 1 A 58 58 ALA CB C 58 16.700 18.584 -1.884 1
1 514 . 15 1 1 A 58 58 ALA N N 58 127.400 124.972 2.428 1
1 515 . 15 1 1 A 59 59 LEU H H 59 8.370 8.375 -0.005 1
1 516 . 15 1 1 A 59 59 LEU HA H 59 3.920 3.915 0.005 1
1 526 . 15 1 1 A 59 59 LEU CA C 59 57.300 57.529 -0.229 1
1 527 . 15 1 1 A 59 59 LEU CB C 59 40.800 41.394 -0.594 1
1 531 . 15 1 1 A 59 59 LEU N N 59 116.800 118.915 -2.115 1
1 532 . 15 1 1 A 60 60 GLU H H 60 7.310 8.335 -1.025 1
1 533 . 15 1 1 A 60 60 GLU HA H 60 4.030 3.978 0.052 1
1 538 . 15 1 1 A 60 60 GLU CA C 60 58.800 59.252 -0.452 1
1 539 . 15 1 1 A 60 60 GLU CB C 60 28.900 29.351 -0.451 1
1 541 . 15 1 1 A 60 60 GLU N N 60 119.000 120.746 -1.746 1
1 542 . 15 1 1 A 61 61 LEU H H 61 7.700 7.656 0.044 1
1 543 . 15 1 1 A 61 61 LEU HA H 61 4.000 3.997 0.003 1
1 553 . 15 1 1 A 61 61 LEU CA C 61 58.100 58.168 -0.068 1
1 554 . 15 1 1 A 61 61 LEU CB C 61 41.400 41.648 -0.248 1
1 558 . 15 1 1 A 61 61 LEU N N 61 120.800 120.554 0.246 1
1 559 . 15 1 1 A 62 62 ILE H H 62 7.510 7.724 -0.214 1
1 560 . 15 1 1 A 62 62 ILE HA H 62 4.040 4.081 -0.041 1
1 570 . 15 1 1 A 62 62 ILE CA C 62 63.200 62.906 0.294 1
1 571 . 15 1 1 A 62 62 ILE CB C 62 37.200 37.317 -0.117 1
1 575 . 15 1 1 A 62 62 ILE N N 62 110.700 114.337 -3.637 1
1 576 . 15 1 1 A 63 63 LYS H H 63 7.520 7.582 -0.062 1
1 577 . 15 1 1 A 63 63 LYS HA H 63 4.070 3.998 0.072 1
1 586 . 15 1 1 A 63 63 LYS CA C 63 58.600 59.088 -0.488 1
1 587 . 15 1 1 A 63 63 LYS CB C 63 32.800 32.106 0.694 1
1 590 . 15 1 1 A 63 63 LYS N N 63 121.100 122.197 -1.097 1
1 591 . 15 1 1 A 64 64 VAL H H 64 7.630 7.340 0.290 1
1 592 . 15 1 1 A 64 64 VAL HA H 64 3.950 3.514 0.436 1
1 600 . 15 1 1 A 64 64 VAL CA C 64 63.900 66.186 -2.286 1
1 601 . 15 1 1 A 64 64 VAL CB C 64 32.400 31.935 0.465 1
1 604 . 15 1 1 A 64 64 VAL N N 64 115.200 119.729 -4.529 1
1 605 . 15 1 1 A 65 65 ARG H H 65 7.980 7.525 0.455 1
1 606 . 15 1 1 A 65 65 ARG HA H 65 4.390 4.780 -0.390 1
1 613 . 15 1 1 A 65 65 ARG CA C 65 55.200 53.855 1.345 1
1 614 . 15 1 1 A 65 65 ARG CB C 65 31.500 33.870 -2.370 1
1 617 . 15 1 1 A 65 65 ARG N N 65 118.300 119.250 -0.950 1
1 618 . 15 1 1 A 66 66 ARG HA H 66 4.340 4.684 -0.344 1
1 621 . 15 1 1 A 66 66 ARG CA C 66 54.900 53.578 1.322 1
1 622 . 15 1 1 A 66 66 ARG CB C 66 29.200 30.058 -0.858 1
1 629 . 15 1 1 A 68 68 LYS HA H 68 4.100 4.081 0.019 1
1 638 . 15 1 1 A 68 68 LYS CA C 68 57.900 58.501 -0.601 1
1 639 . 15 1 1 A 68 68 LYS CB C 68 34.100 33.057 1.043 1
1 643 . 15 1 1 A 69 69 TYR HA H 69 4.760 4.762 -0.002 1
1 650 . 15 1 1 A 69 69 TYR CA C 69 57.800 59.144 -1.344 1
1 651 . 15 1 1 A 69 69 TYR CB C 69 39.600 40.193 -0.593 1
1 654 . 15 1 1 A 70 70 VAL H H 70 6.950 8.320 -1.370 1
1 655 . 15 1 1 A 70 70 VAL HA H 70 4.720 4.168 0.552 1
1 663 . 15 1 1 A 70 70 VAL CA C 70 60.000 62.861 -2.861 1
1 664 . 15 1 1 A 70 70 VAL CB C 70 34.500 32.563 1.937 1
1 667 . 15 1 1 A 70 70 VAL N N 70 115.400 121.014 -5.614 1
1 668 . 15 1 1 A 71 71 HIS H H 71 7.870 8.890 -1.020 1
1 669 . 15 1 1 A 71 71 HIS HA H 71 4.910 4.982 -0.072 1
1 673 . 15 1 1 A 71 71 HIS CA C 71 54.100 54.395 -0.295 1
1 674 . 15 1 1 A 71 71 HIS CB C 71 33.700 33.407 0.293 1
1 676 . 15 1 1 A 71 71 HIS N N 71 120.600 124.488 -3.888 1
1 677 . 15 1 1 A 72 72 LYS H H 72 8.400 8.793 -0.393 1
1 678 . 15 1 1 A 72 72 LYS HA H 72 3.680 3.799 -0.119 1
1 687 . 15 1 1 A 72 72 LYS CA C 72 60.600 60.078 0.522 1
1 688 . 15 1 1 A 72 72 LYS CB C 72 32.800 32.122 0.678 1
1 692 . 15 1 1 A 73 73 GLU H H 73 9.680 8.417 1.263 1
1 693 . 15 1 1 A 73 73 GLU HA H 73 4.170 4.014 0.156 1
1 698 . 15 1 1 A 73 73 GLU CA C 73 60.000 59.825 0.175 1
1 699 . 15 1 1 A 73 73 GLU CB C 73 28.300 29.221 -0.921 1
1 701 . 15 1 1 A 73 73 GLU N N 73 117.300 118.988 -1.688 1
1 702 . 15 1 1 A 74 74 GLN H H 74 7.360 7.934 -0.574 1
1 703 . 15 1 1 A 74 74 GLN HA H 74 4.180 4.124 0.056 1
1 710 . 15 1 1 A 74 74 GLN CA C 74 58.300 58.506 -0.206 1
1 711 . 15 1 1 A 74 74 GLN CB C 74 28.300 28.390 -0.090 1
1 713 . 15 1 1 A 74 74 GLN N N 74 117.700 118.686 -0.986 1
1 715 . 15 1 1 A 75 75 ILE H H 75 7.530 8.455 -0.925 1
1 716 . 15 1 1 A 75 75 ILE HA H 75 3.780 3.861 -0.081 1
1 726 . 15 1 1 A 75 75 ILE CA C 75 64.100 65.823 -1.723 1
1 727 . 15 1 1 A 75 75 ILE CB C 75 36.800 37.790 -0.990 1
1 731 . 15 1 1 A 75 75 ILE N N 75 120.600 121.175 -0.575 1
1 732 . 15 1 1 A 76 76 GLU H H 76 8.340 8.401 -0.061 1
1 733 . 15 1 1 A 76 76 GLU HA H 76 3.970 4.110 -0.140 1
1 738 . 15 1 1 A 76 76 GLU CA C 76 59.200 59.446 -0.246 1
1 739 . 15 1 1 A 76 76 GLU CB C 76 29.700 28.638 1.062 1
1 741 . 15 1 1 A 76 76 GLU N N 76 117.500 120.370 -2.870 1
1 742 . 15 1 1 A 77 77 ALA H H 77 7.390 7.659 -0.269 1
1 743 . 15 1 1 A 77 77 ALA HA H 77 4.370 4.090 0.280 1
1 747 . 15 1 1 A 77 77 ALA CA C 77 53.400 55.105 -1.705 1
1 748 . 15 1 1 A 77 77 ALA CB C 77 18.800 18.401 0.399 1
1 749 . 15 1 1 A 77 77 ALA N N 77 118.600 123.388 -4.788 1
1 750 . 15 1 1 A 78 78 VAL H H 78 7.620 8.702 -1.082 1
1 751 . 15 1 1 A 78 78 VAL HA H 78 3.720 3.445 0.275 1
1 759 . 15 1 1 A 78 78 VAL CA C 78 66.700 67.093 -0.393 1
1 760 . 15 1 1 A 78 78 VAL CB C 78 31.500 31.441 0.059 1
1 763 . 15 1 1 A 78 78 VAL N N 78 116.800 118.493 -1.693 1
1 764 . 15 1 1 A 79 79 LYS H H 79 8.570 8.266 0.304 1
1 765 . 15 1 1 A 79 79 LYS HA H 79 3.780 4.061 -0.281 1
1 774 . 15 1 1 A 79 79 LYS CA C 79 61.800 59.882 1.918 1
1 775 . 15 1 1 A 79 79 LYS CB C 79 31.500 32.555 -1.055 1
1 779 . 15 1 1 A 79 79 LYS N N 79 119.500 120.331 -0.831 1
1 780 . 15 1 1 A 80 80 ASP H H 80 8.350 7.674 0.676 1
1 781 . 15 1 1 A 80 80 ASP HA H 80 4.490 4.410 0.080 1
1 784 . 15 1 1 A 80 80 ASP CA C 80 57.300 57.429 -0.129 1
1 785 . 15 1 1 A 80 80 ASP CB C 80 40.000 40.904 -0.904 1
1 786 . 15 1 1 A 80 80 ASP N N 80 115.500 119.619 -4.119 1
1 787 . 15 1 1 A 81 81 ASN H H 81 7.690 8.530 -0.840 1
1 788 . 15 1 1 A 81 81 ASN HA H 81 4.540 4.469 0.071 1
1 793 . 15 1 1 A 81 81 ASN CA C 81 55.500 56.394 -0.894 1
1 794 . 15 1 1 A 81 81 ASN CB C 81 38.600 37.760 0.840 1
1 795 . 15 1 1 A 81 81 ASN N N 81 118.300 116.868 1.432 1
1 797 . 15 1 1 A 82 82 PHE H H 82 9.620 8.482 1.138 1
1 798 . 15 1 1 A 82 82 PHE HA H 82 4.060 4.089 -0.029 1
1 806 . 15 1 1 A 82 82 PHE CA C 82 60.900 61.276 -0.376 1
1 807 . 15 1 1 A 82 82 PHE CB C 82 39.500 39.244 0.256 1
1 811 . 15 1 1 A 82 82 PHE N N 82 121.400 122.971 -1.571 1
1 812 . 15 1 1 A 83 83 LEU H H 83 8.210 8.481 -0.271 1
1 813 . 15 1 1 A 83 83 LEU HA H 83 3.900 3.850 0.050 1
1 823 . 15 1 1 A 83 83 LEU CA C 83 57.000 57.892 -0.892 1
1 824 . 15 1 1 A 83 83 LEU CB C 83 40.400 41.235 -0.835 1
1 828 . 15 1 1 A 83 83 LEU N N 83 117.400 118.923 -1.523 1
1 829 . 15 1 1 A 84 84 GLU H H 84 7.660 7.678 -0.018 1
1 830 . 15 1 1 A 84 84 GLU HA H 84 4.150 4.035 0.115 1
1 835 . 15 1 1 A 84 84 GLU CA C 84 59.500 59.226 0.274 1
1 836 . 15 1 1 A 84 84 GLU CB C 84 28.700 29.923 -1.223 1
1 838 . 15 1 1 A 84 84 GLU N N 84 121.500 119.162 2.338 1
1 839 . 15 1 1 A 85 85 LEU H H 85 8.100 8.353 -0.253 1
1 840 . 15 1 1 A 85 85 LEU HA H 85 3.600 3.943 -0.343 1
1 850 . 15 1 1 A 85 85 LEU CA C 85 59.300 58.291 1.009 1
1 851 . 15 1 1 A 85 85 LEU CB C 85 41.800 41.472 0.328 1
1 855 . 15 1 1 A 85 85 LEU N N 85 121.700 122.168 -0.468 1
1 856 . 15 1 1 A 86 86 VAL H H 86 8.220 7.865 0.355 1
1 857 . 15 1 1 A 86 86 VAL HA H 86 3.100 3.487 -0.387 1
1 865 . 15 1 1 A 86 86 VAL CA C 86 67.200 66.835 0.365 1
1 866 . 15 1 1 A 86 86 VAL CB C 86 31.500 31.406 0.094 1
1 869 . 15 1 1 A 86 86 VAL N N 86 118.400 119.073 -0.673 1
1 870 . 15 1 1 A 87 87 LEU H H 87 8.450 8.027 0.423 1
1 871 . 15 1 1 A 87 87 LEU HA H 87 3.960 4.154 -0.194 1
1 881 . 15 1 1 A 87 87 LEU CA C 87 59.100 58.784 0.316 1
1 882 . 15 1 1 A 87 87 LEU CB C 87 42.300 41.794 0.506 1
1 886 . 15 1 1 A 87 87 LEU N N 87 120.200 119.943 0.257 1
1 887 . 15 1 1 A 88 88 GLN H H 88 9.350 8.780 0.570 1
1 888 . 15 1 1 A 88 88 GLN HA H 88 4.180 4.082 0.098 1
1 895 . 15 1 1 A 88 88 GLN CA C 88 57.300 58.938 -1.638 1
1 896 . 15 1 1 A 88 88 GLN CB C 88 25.400 28.216 -2.816 1
1 898 . 15 1 1 A 88 88 GLN N N 88 114.900 118.664 -3.764 1
1 900 . 15 1 1 A 89 89 SER H H 89 8.680 7.913 0.767 1
1 901 . 15 1 1 A 89 89 SER HA H 89 4.080 4.000 0.080 1
1 904 . 15 1 1 A 89 89 SER CA C 89 61.900 60.646 1.254 1
1 905 . 15 1 1 A 89 89 SER CB C 89 62.200 62.763 -0.563 1
1 906 . 15 1 1 A 89 89 SER N N 89 117.500 115.394 2.106 1
1 907 . 15 1 1 A 90 90 TYR H H 90 7.330 7.987 -0.657 1
1 908 . 15 1 1 A 90 90 TYR HA H 90 4.320 4.850 -0.530 1
1 915 . 15 1 1 A 90 90 TYR CA C 90 59.700 59.457 0.243 1
1 916 . 15 1 1 A 90 90 TYR CB C 90 41.400 40.147 1.253 1
1 919 . 15 1 1 A 90 90 TYR N N 90 116.000 118.286 -2.286 1
1 920 . 15 1 1 A 91 91 VAL H H 91 7.730 8.201 -0.471 1
1 921 . 15 1 1 A 91 91 VAL HA H 91 4.010 4.250 -0.240 1
1 929 . 15 1 1 A 91 91 VAL CA C 91 62.600 65.060 -2.460 1
1 930 . 15 1 1 A 91 91 VAL CB C 91 32.700 32.941 -0.241 1
1 933 . 15 1 1 A 91 91 VAL N N 91 110.500 115.032 -4.532 1
1 934 . 15 1 1 A 92 92 HIS H H 92 8.600 8.235 0.365 1
1 935 . 15 1 1 A 92 92 HIS HA H 92 4.280 4.125 0.155 1
1 939 . 15 1 1 A 92 92 HIS CA C 92 56.000 56.823 -0.823 1
1 940 . 15 1 1 A 92 92 HIS CB C 92 29.200 26.676 2.524 1
1 942 . 15 1 1 A 92 92 HIS N N 92 114.500 116.368 -1.868 1
1 943 . 15 1 1 A 93 93 HIS H H 93 8.350 7.902 0.448 1
1 944 . 15 1 1 A 93 93 HIS HA H 93 4.780 4.777 0.003 1
1 948 . 15 1 1 A 93 93 HIS CA C 93 57.600 53.900 3.700 1
1 949 . 15 1 1 A 93 93 HIS CB C 93 31.900 29.758 2.142 1
1 951 . 15 1 1 A 93 93 HIS N N 93 118.200 112.963 5.237 1
1 952 . 15 1 1 A 94 94 ILE H H 94 7.470 7.916 -0.446 1
1 953 . 15 1 1 A 94 94 ILE HA H 94 4.370 4.877 -0.507 1
1 963 . 15 1 1 A 94 94 ILE CA C 94 60.900 59.210 1.690 1
1 964 . 15 1 1 A 94 94 ILE CB C 94 39.600 40.978 -1.378 1
1 968 . 15 1 1 A 94 94 ILE N N 94 111.400 117.912 -6.512 1
1 969 . 15 1 1 A 95 95 HIS H H 95 6.990 8.905 -1.915 1
1 970 . 15 1 1 A 96 96 LYS HA H 96 4.040 4.480 -0.440 1
1 977 . 15 1 1 A 97 97 LYS HA H 97 4.130 4.084 0.046 1
1 986 . 15 1 1 A 97 97 LYS CA C 97 59.400 59.179 0.221 1
1 987 . 15 1 1 A 97 97 LYS CB C 97 32.000 31.890 0.110 1
1 991 . 15 1 1 A 98 98 ARG H H 98 7.150 7.842 -0.692 1
1 992 . 15 1 1 A 98 98 ARG HA H 98 4.150 3.909 0.241 1
1 999 . 15 1 1 A 98 98 ARG CA C 98 57.900 59.252 -1.352 1
1 1000 . 15 1 1 A 98 98 ARG CB C 98 28.600 29.905 -1.305 1
1 1003 . 15 1 1 A 98 98 ARG N N 98 118.500 120.021 -1.521 1
1 1004 . 15 1 1 A 99 99 PHE H H 99 8.260 8.085 0.175 1
1 1005 . 15 1 1 A 99 99 PHE HA H 99 3.450 3.968 -0.518 1
1 1013 . 15 1 1 A 99 99 PHE CA C 99 62.700 61.397 1.303 1
1 1014 . 15 1 1 A 99 99 PHE CB C 99 39.200 39.084 0.116 1
1 1018 . 15 1 1 A 99 99 PHE N N 99 119.100 119.986 -0.886 1
1 1019 . 15 1 1 A 100 100 LYS H H 100 8.500 7.755 0.745 1
1 1020 . 15 1 1 A 100 100 LYS HA H 100 3.980 3.794 0.186 1
1 1029 . 15 1 1 A 100 100 LYS CA C 100 59.300 59.944 -0.644 1
1 1030 . 15 1 1 A 100 100 LYS CB C 100 31.900 32.042 -0.142 1
1 1034 . 15 1 1 A 100 100 LYS N N 100 121.700 118.852 2.848 1
1 1035 . 15 1 1 A 101 101 ASP H H 101 8.150 8.688 -0.538 1
1 1036 . 15 1 1 A 101 101 ASP HA H 101 4.290 4.284 0.006 1
1 1039 . 15 1 1 A 101 101 ASP CA C 101 57.300 57.936 -0.636 1
1 1040 . 15 1 1 A 101 101 ASP CB C 101 39.900 41.555 -1.655 1
1 1041 . 15 1 1 A 101 101 ASP N N 101 119.800 119.667 0.133 1
1 1042 . 15 1 1 A 102 102 ILE H H 102 8.220 8.371 -0.151 1
1 1043 . 15 1 1 A 102 102 ILE HA H 102 3.690 3.497 0.193 1
1 1053 . 15 1 1 A 102 102 ILE CA C 102 65.000 65.195 -0.195 1
1 1054 . 15 1 1 A 102 102 ILE CB C 102 37.700 37.484 0.216 1
1 1058 . 15 1 1 A 102 102 ILE N N 102 118.800 118.791 0.009 1
1 1059 . 15 1 1 A 103 103 THR H H 103 7.930 7.787 0.143 1
1 1060 . 15 1 1 A 103 103 THR HA H 103 3.480 3.665 -0.185 1
1 1066 . 15 1 1 A 103 103 THR CA C 103 67.300 66.936 0.364 1
1 1067 . 15 1 1 A 103 103 THR CB C 103 67.700 68.055 -0.355 1
1 1069 . 15 1 1 A 103 103 THR N N 103 117.900 116.728 1.172 1
1 1070 . 15 1 1 A 104 104 GLU H H 104 8.470 8.289 0.181 1
1 1071 . 15 1 1 A 104 104 GLU HA H 104 3.920 3.934 -0.014 1
1 1076 . 15 1 1 A 104 104 GLU CA C 104 59.500 59.453 0.047 1
1 1077 . 15 1 1 A 104 104 GLU CB C 104 29.200 29.245 -0.045 1
1 1079 . 15 1 1 A 104 104 GLU N N 104 118.900 122.332 -3.432 1
1 1080 . 15 1 1 A 105 105 SER H H 105 7.840 8.198 -0.358 1
1 1081 . 15 1 1 A 105 105 SER HA H 105 4.290 4.186 0.104 1
1 1084 . 15 1 1 A 105 105 SER CA C 105 60.900 61.720 -0.820 1
1 1085 . 15 1 1 A 105 105 SER CB C 105 62.700 63.280 -0.580 1
1 1086 . 15 1 1 A 105 105 SER N N 105 114.200 114.227 -0.027 1
1 1087 . 15 1 1 A 106 106 VAL H H 106 8.290 8.035 0.255 1
1 1088 . 15 1 1 A 106 106 VAL HA H 106 3.690 3.608 0.082 1
1 1096 . 15 1 1 A 106 106 VAL CA C 106 66.300 66.799 -0.499 1
1 1097 . 15 1 1 A 106 106 VAL CB C 106 31.900 31.504 0.396 1
1 1100 . 15 1 1 A 106 106 VAL N N 106 122.100 120.441 1.659 1
1 1101 . 15 1 1 A 107 107 LEU H H 107 8.560 8.171 0.389 1
1 1102 . 15 1 1 A 107 107 LEU HA H 107 3.900 3.575 0.325 1
1 1112 . 15 1 1 A 107 107 LEU CA C 107 58.300 57.831 0.469 1
1 1113 . 15 1 1 A 107 107 LEU CB C 107 41.200 41.261 -0.061 1
1 1117 . 15 1 1 A 107 107 LEU N N 107 117.500 118.432 -0.932 1
1 1118 . 15 1 1 A 108 108 TYR H H 108 8.450 8.767 -0.317 1
1 1119 . 15 1 1 A 108 108 TYR HA H 108 4.170 3.982 0.188 1
1 1126 . 15 1 1 A 108 108 TYR CA C 108 61.800 61.900 -0.100 1
1 1127 . 15 1 1 A 108 108 TYR CB C 108 37.900 38.391 -0.491 1
1 1130 . 15 1 1 A 108 108 TYR N N 108 119.000 118.978 0.022 1
1 1131 . 15 1 1 A 109 109 THR H H 109 7.800 8.349 -0.549 1
1 1132 . 15 1 1 A 109 109 THR HA H 109 3.860 3.958 -0.098 1
1 1137 . 15 1 1 A 109 109 THR CA C 109 66.800 67.303 -0.503 1
1 1138 . 15 1 1 A 109 109 THR CB C 109 67.800 68.343 -0.543 1
1 1140 . 15 1 1 A 109 109 THR N N 109 116.500 115.285 1.215 1
1 1141 . 15 1 1 A 110 110 LEU H H 110 8.510 8.395 0.115 1
1 1142 . 15 1 1 A 110 110 LEU HA H 110 3.900 4.020 -0.120 1
1 1152 . 15 1 1 A 110 110 LEU CA C 110 58.500 57.699 0.801 1
1 1153 . 15 1 1 A 110 110 LEU CB C 110 41.300 41.785 -0.485 1
1 1157 . 15 1 1 A 110 110 LEU N N 110 121.000 120.744 0.256 1
1 1158 . 15 1 1 A 111 111 HIS H H 111 8.440 8.393 0.047 1
1 1159 . 15 1 1 A 111 111 HIS HA H 111 4.000 4.235 -0.235 1
1 1163 . 15 1 1 A 111 111 HIS CA C 111 60.900 60.309 0.591 1
1 1164 . 15 1 1 A 111 111 HIS CB C 111 29.700 29.460 0.240 1
1 1166 . 15 1 1 A 111 111 HIS N N 111 116.300 117.812 -1.512 1
1 1167 . 15 1 1 A 112 112 ALA H H 112 7.920 8.053 -0.133 1
1 1168 . 15 1 1 A 112 112 ALA HA H 112 4.130 3.857 0.273 1
1 1172 . 15 1 1 A 112 112 ALA CA C 112 55.000 55.063 -0.063 1
1 1173 . 15 1 1 A 112 112 ALA CB C 112 17.600 18.391 -0.791 1
1 1174 . 15 1 1 A 112 112 ALA N N 112 122.900 122.118 0.782 1
1 1175 . 15 1 1 A 113 113 VAL H H 113 8.300 8.233 0.067 1
1 1176 . 15 1 1 A 113 113 VAL HA H 113 3.540 3.431 0.109 1
1 1184 . 15 1 1 A 113 113 VAL CA C 113 67.200 66.595 0.605 1
1 1185 . 15 1 1 A 113 113 VAL CB C 113 31.000 31.588 -0.588 1
1 1188 . 15 1 1 A 113 113 VAL N N 113 119.000 118.731 0.269 1
1 1189 . 15 1 1 A 114 114 LYS H H 114 8.220 8.422 -0.202 1
1 1190 . 15 1 1 A 114 114 LYS HA H 114 3.810 4.006 -0.196 1
1 1199 . 15 1 1 A 114 114 LYS CA C 114 60.800 59.934 0.866 1
1 1200 . 15 1 1 A 114 114 LYS CB C 114 31.500 32.269 -0.769 1
1 1204 . 15 1 1 A 114 114 LYS N N 114 120.600 120.590 0.010 1
1 1205 . 15 1 1 A 115 115 ASP H H 115 8.180 8.148 0.032 1
1 1206 . 15 1 1 A 115 115 ASP HA H 115 4.300 4.360 -0.060 1
1 1209 . 15 1 1 A 115 115 ASP CA C 115 56.800 57.726 -0.926 1
1 1210 . 15 1 1 A 115 115 ASP CB C 115 39.600 41.141 -1.541 1
1 1211 . 15 1 1 A 115 115 ASP N N 115 118.800 119.666 -0.866 1
1 1212 . 15 1 1 A 116 116 GLU H H 116 7.990 8.257 -0.267 1
1 1213 . 15 1 1 A 116 116 GLU HA H 116 4.060 4.128 -0.068 1
1 1218 . 15 1 1 A 116 116 GLU CA C 116 58.400 59.293 -0.893 1
1 1219 . 15 1 1 A 116 116 GLU CB C 116 29.000 29.758 -0.758 1
1 1221 . 15 1 1 A 116 116 GLU N N 116 120.800 118.639 2.161 1
1 1222 . 15 1 1 A 117 117 ILE H H 117 8.370 8.256 0.114 1
1 1223 . 15 1 1 A 117 117 ILE HA H 117 3.610 3.641 -0.031 1
1 1233 . 15 1 1 A 117 117 ILE CA C 117 64.800 65.816 -1.016 1
1 1234 . 15 1 1 A 117 117 ILE CB C 117 38.600 38.221 0.379 1
1 1238 . 15 1 1 A 117 117 ILE N N 117 119.700 121.355 -1.655 1
1 1239 . 15 1 1 A 118 118 ALA H H 118 7.720 8.234 -0.514 1
1 1240 . 15 1 1 A 118 118 ALA HA H 118 4.250 4.360 -0.110 1
1 1244 . 15 1 1 A 118 118 ALA CA C 118 52.900 54.585 -1.685 1
1 1245 . 15 1 1 A 118 118 ALA CB C 118 18.700 18.438 0.262 1
1 1246 . 15 1 1 A 118 118 ALA N N 118 119.900 121.908 -2.008 1
1 1247 . 15 1 1 A 119 119 ARG H H 119 7.450 7.906 -0.456 1
1 1248 . 15 1 1 A 119 119 ARG HA H 119 4.110 4.120 -0.010 1
1 1255 . 15 1 1 A 119 119 ARG CA C 119 57.600 58.631 -1.031 1
1 1256 . 15 1 1 A 119 119 ARG CB C 119 31.000 29.797 1.203 1
1 1259 . 15 1 1 A 119 119 ARG N N 119 118.400 118.839 -0.439 1
1 1260 . 15 1 1 A 120 120 GLU H H 120 8.890 7.566 1.324 1
1 1261 . 15 1 1 A 120 120 GLU HA H 120 4.280 4.372 -0.092 1
1 1266 . 15 1 1 A 120 120 GLU CA C 120 57.600 58.199 -0.599 1
1 1267 . 15 1 1 A 120 120 GLU CB C 120 30.100 30.926 -0.826 1
1 1269 . 15 1 1 A 120 120 GLU N N 120 114.900 116.779 -1.879 1
1 1 . 16 1 1 A 6 6 LEU HA H 6 4.230 4.175 0.055 1
1 11 . 16 1 1 A 6 6 LEU CA C 6 58.000 57.026 0.974 1
1 12 . 16 1 1 A 6 6 LEU CB C 6 40.900 41.321 -0.421 1
1 16 . 16 1 1 A 7 7 LEU H H 7 8.970 7.856 1.114 1
1 17 . 16 1 1 A 7 7 LEU HA H 7 3.970 4.112 -0.142 1
1 27 . 16 1 1 A 7 7 LEU CA C 7 58.500 58.234 0.266 1
1 28 . 16 1 1 A 7 7 LEU CB C 7 41.000 41.615 -0.615 1
1 32 . 16 1 1 A 7 7 LEU N N 7 124.300 120.180 4.120 1
1 33 . 16 1 1 A 8 8 GLU H H 8 7.910 7.976 -0.066 1
1 34 . 16 1 1 A 8 8 GLU HA H 8 4.040 4.053 -0.013 1
1 39 . 16 1 1 A 8 8 GLU CA C 8 59.500 58.932 0.568 1
1 40 . 16 1 1 A 8 8 GLU CB C 8 29.200 28.474 0.726 1
1 42 . 16 1 1 A 8 8 GLU N N 8 119.000 117.574 1.426 1
1 43 . 16 1 1 A 9 9 MET H H 9 8.520 7.720 0.800 1
1 44 . 16 1 1 A 9 9 MET HA H 9 4.030 4.227 -0.197 1
1 52 . 16 1 1 A 9 9 MET CA C 9 59.900 58.197 1.703 1
1 53 . 16 1 1 A 9 9 MET CB C 9 36.000 33.025 2.975 1
1 56 . 16 1 1 A 9 9 MET N N 9 117.500 119.281 -1.781 1
1 57 . 16 1 1 A 10 10 THR H H 10 8.470 7.787 0.683 1
1 58 . 16 1 1 A 10 10 THR HA H 10 3.550 3.785 -0.235 1
1 64 . 16 1 1 A 10 10 THR CA C 10 67.200 67.505 -0.305 1
1 65 . 16 1 1 A 10 10 THR CB C 10 68.500 68.593 -0.093 1
1 67 . 16 1 1 A 10 10 THR N N 10 116.600 115.310 1.290 1
1 68 . 16 1 1 A 11 11 GLU H H 11 8.500 8.931 -0.431 1
1 69 . 16 1 1 A 11 11 GLU HA H 11 3.910 3.893 0.017 1
1 74 . 16 1 1 A 11 11 GLU CA C 11 59.400 59.980 -0.580 1
1 75 . 16 1 1 A 11 11 GLU CB C 11 29.200 29.266 -0.066 1
1 77 . 16 1 1 A 11 11 GLU N N 11 119.400 119.581 -0.181 1
1 78 . 16 1 1 A 12 12 GLN H H 12 8.140 7.983 0.157 1
1 79 . 16 1 1 A 12 12 GLN HA H 12 4.100 4.062 0.038 1
1 86 . 16 1 1 A 12 12 GLN CA C 12 59.000 58.713 0.287 1
1 87 . 16 1 1 A 12 12 GLN CB C 12 27.800 28.454 -0.654 1
1 89 . 16 1 1 A 12 12 GLN N N 12 120.400 119.946 0.454 1
1 91 . 16 1 1 A 13 13 MET H H 13 8.120 7.676 0.444 1
1 92 . 16 1 1 A 13 13 MET HA H 13 3.710 4.073 -0.363 1
1 100 . 16 1 1 A 13 13 MET CA C 13 59.600 57.805 1.795 1
1 101 . 16 1 1 A 13 13 MET CB C 13 33.300 31.719 1.581 1
1 104 . 16 1 1 A 13 13 MET N N 13 118.500 118.713 -0.213 1
1 105 . 16 1 1 A 14 14 ILE H H 14 8.040 8.106 -0.066 1
1 106 . 16 1 1 A 14 14 ILE HA H 14 3.270 3.515 -0.245 1
1 116 . 16 1 1 A 14 14 ILE CA C 14 65.700 64.999 0.701 1
1 117 . 16 1 1 A 14 14 ILE CB C 14 38.000 37.539 0.461 1
1 121 . 16 1 1 A 14 14 ILE N N 14 119.400 119.656 -0.256 1
1 122 . 16 1 1 A 15 15 GLU H H 15 7.700 8.665 -0.965 1
1 123 . 16 1 1 A 15 15 GLU HA H 15 4.110 3.942 0.168 1
1 128 . 16 1 1 A 15 15 GLU CA C 15 59.300 59.541 -0.241 1
1 129 . 16 1 1 A 15 15 GLU CB C 15 29.200 29.572 -0.372 1
1 131 . 16 1 1 A 15 15 GLU N N 15 119.000 121.330 -2.330 1
1 132 . 16 1 1 A 16 16 VAL H H 16 8.410 7.918 0.492 1
1 133 . 16 1 1 A 16 16 VAL HA H 16 3.530 3.664 -0.134 1
1 141 . 16 1 1 A 16 16 VAL CA C 16 66.600 66.506 0.094 1
1 142 . 16 1 1 A 16 16 VAL CB C 16 31.900 31.718 0.182 1
1 145 . 16 1 1 A 16 16 VAL N N 16 119.500 119.911 -0.411 1
1 146 . 16 1 1 A 17 17 ALA H H 17 8.600 8.023 0.577 1
1 147 . 16 1 1 A 17 17 ALA HA H 17 4.080 4.068 0.012 1
1 151 . 16 1 1 A 17 17 ALA CA C 17 54.700 55.912 -1.212 1
1 152 . 16 1 1 A 17 17 ALA CB C 17 17.700 18.378 -0.678 1
1 153 . 16 1 1 A 17 17 ALA N N 17 123.100 122.111 0.989 1
1 154 . 16 1 1 A 18 18 GLU H H 18 8.850 8.568 0.282 1
1 155 . 16 1 1 A 18 18 GLU HA H 18 3.990 4.005 -0.015 1
1 160 . 16 1 1 A 18 18 GLU CA C 18 59.500 59.596 -0.096 1
1 161 . 16 1 1 A 18 18 GLU CB C 18 29.700 29.611 0.089 1
1 163 . 16 1 1 A 18 18 GLU N N 18 117.900 117.966 -0.066 1
1 164 . 16 1 1 A 19 19 LYS H H 19 8.750 8.469 0.281 1
1 165 . 16 1 1 A 19 19 LYS HA H 19 4.150 3.944 0.206 1
1 174 . 16 1 1 A 19 19 LYS CA C 19 58.700 59.744 -1.044 1
1 175 . 16 1 1 A 19 19 LYS CB C 19 31.900 32.123 -0.223 1
1 179 . 16 1 1 A 19 19 LYS N N 19 119.200 121.184 -1.984 1
1 180 . 16 1 1 A 20 20 GLY H H 20 8.640 8.337 0.303 1
1 181 . 16 1 1 A 20 20 GLY HA2 H 20 3.790 3.852 -0.062 1
1 182 . 16 1 1 A 20 20 GLY HA3 H 20 3.500 3.891 -0.391 1
1 183 . 16 1 1 A 20 20 GLY CA C 20 46.400 47.211 -0.811 1
1 184 . 16 1 1 A 20 20 GLY N N 20 110.300 106.940 3.360 1
1 185 . 16 1 1 A 21 21 ALA H H 21 8.550 8.288 0.262 1
1 186 . 16 1 1 A 21 21 ALA HA H 21 4.490 4.223 0.267 1
1 190 . 16 1 1 A 21 21 ALA CA C 21 55.100 54.722 0.378 1
1 191 . 16 1 1 A 21 21 ALA CB C 21 17.300 18.935 -1.635 1
1 192 . 16 1 1 A 21 21 ALA N N 21 125.300 124.841 0.459 1
1 193 . 16 1 1 A 22 22 ASP H H 22 7.660 8.749 -1.089 1
1 194 . 16 1 1 A 22 22 ASP HA H 22 4.460 4.355 0.105 1
1 197 . 16 1 1 A 22 22 ASP CA C 22 56.900 57.427 -0.527 1
1 198 . 16 1 1 A 22 22 ASP CB C 22 40.500 41.316 -0.816 1
1 199 . 16 1 1 A 22 22 ASP N N 22 119.000 117.791 1.209 1
1 200 . 16 1 1 A 23 23 ARG H H 23 8.110 8.050 0.060 1
1 201 . 16 1 1 A 23 23 ARG HA H 23 4.000 3.954 0.046 1
1 208 . 16 1 1 A 23 23 ARG CA C 23 59.200 58.939 0.261 1
1 209 . 16 1 1 A 23 23 ARG CB C 23 30.700 29.715 0.985 1
1 212 . 16 1 1 A 23 23 ARG N N 23 121.800 120.182 1.618 1
1 213 . 16 1 1 A 24 24 TYR H H 24 8.460 8.548 -0.088 1
1 214 . 16 1 1 A 24 24 TYR HA H 24 3.780 4.013 -0.233 1
1 221 . 16 1 1 A 24 24 TYR CA C 24 60.900 61.383 -0.483 1
1 222 . 16 1 1 A 24 24 TYR CB C 24 39.400 38.576 0.824 1
1 225 . 16 1 1 A 24 24 TYR N N 24 120.400 120.199 0.201 1
1 226 . 16 1 1 A 25 25 GLN H H 25 7.540 8.786 -1.246 1
1 227 . 16 1 1 A 25 25 GLN HA H 25 3.750 3.761 -0.011 1
1 232 . 16 1 1 A 25 25 GLN CA C 25 57.800 58.478 -0.678 1
1 233 . 16 1 1 A 25 25 GLN CB C 25 28.400 28.974 -0.574 1
1 235 . 16 1 1 A 25 25 GLN N N 25 117.500 118.693 -1.193 1
1 236 . 16 1 1 A 26 26 GLU H H 26 7.980 8.358 -0.378 1
1 237 . 16 1 1 A 26 26 GLU HA H 26 4.010 4.049 -0.039 1
1 242 . 16 1 1 A 26 26 GLU CA C 26 57.900 58.581 -0.681 1
1 243 . 16 1 1 A 26 26 GLU CB C 26 29.700 29.591 0.109 1
1 245 . 16 1 1 A 26 26 GLU N N 26 117.900 119.166 -1.266 1
1 246 . 16 1 1 A 32 32 HIS HA H 32 4.620 4.320 0.300 1
1 249 . 16 1 1 A 32 32 HIS CA C 32 56.900 54.315 2.585 1
1 250 . 16 1 1 A 32 32 HIS CB C 32 64.000 28.860 35.140 1
1 251 . 16 1 1 A 33 33 SER HA H 33 4.610 4.560 0.050 1
1 254 . 16 1 1 A 33 33 SER CA C 33 56.900 58.117 -1.217 1
1 255 . 16 1 1 A 33 33 SER CB C 33 64.000 64.430 -0.430 1
1 256 . 16 1 1 A 34 34 TYR HA H 34 4.630 5.258 -0.628 1
1 263 . 16 1 1 A 34 34 TYR CA C 34 56.900 55.687 1.213 1
1 264 . 16 1 1 A 34 34 TYR CB C 34 40.700 42.784 -2.084 1
1 267 . 16 1 1 A 36 36 PHE HA H 36 3.910 4.623 -0.713 1
1 275 . 16 1 1 A 36 36 PHE CA C 36 62.000 57.278 4.722 1
1 276 . 16 1 1 A 36 36 PHE CB C 36 39.200 42.149 -2.949 1
1 280 . 16 1 1 A 37 37 PHE H H 37 8.090 8.868 -0.778 1
1 281 . 16 1 1 A 37 37 PHE HA H 37 3.980 4.226 -0.246 1
1 289 . 16 1 1 A 37 37 PHE CA C 37 61.600 61.922 -0.322 1
1 290 . 16 1 1 A 37 37 PHE CB C 37 38.600 37.320 1.280 1
1 294 . 16 1 1 A 37 37 PHE N N 37 116.200 117.101 -0.901 1
1 295 . 16 1 1 A 38 38 GLU H H 38 9.000 8.898 0.102 1
1 296 . 16 1 1 A 38 38 GLU HA H 38 4.130 3.973 0.157 1
1 301 . 16 1 1 A 38 38 GLU CA C 38 57.700 59.585 -1.885 1
1 302 . 16 1 1 A 38 38 GLU CB C 38 30.600 29.091 1.509 1
1 304 . 16 1 1 A 38 38 GLU N N 38 116.000 118.169 -2.169 1
1 305 . 16 1 1 A 39 39 THR H H 39 7.390 7.834 -0.444 1
1 306 . 16 1 1 A 39 39 THR HA H 39 4.280 4.127 0.153 1
1 311 . 16 1 1 A 39 39 THR CA C 39 64.100 65.261 -1.161 1
1 312 . 16 1 1 A 39 39 THR CB C 39 70.000 68.940 1.060 1
1 314 . 16 1 1 A 39 39 THR N N 39 110.400 114.146 -3.746 1
1 315 . 16 1 1 A 40 40 ILE H H 40 7.250 7.472 -0.222 1
1 316 . 16 1 1 A 40 40 ILE HA H 40 2.570 4.171 -1.601 1
1 326 . 16 1 1 A 40 40 ILE CA C 40 65.800 61.035 4.765 1
1 327 . 16 1 1 A 40 40 ILE CB C 40 37.300 35.276 2.024 1
1 331 . 16 1 1 A 40 40 ILE N N 40 120.900 119.167 1.733 1
1 332 . 16 1 1 A 41 41 LYS H H 41 8.400 8.180 0.220 1
1 333 . 16 1 1 A 41 41 LYS HA H 41 3.650 4.595 -0.945 1
1 336 . 16 1 1 A 41 41 LYS CA C 41 59.000 57.702 1.298 1
1 337 . 16 1 1 A 41 41 LYS CB C 41 29.700 34.810 -5.110 1
1 338 . 16 1 1 A 41 41 LYS N N 41 118.800 127.363 -8.563 1
1 339 . 16 1 1 A 42 42 PRO HA H 42 4.280 4.360 -0.080 1
1 346 . 16 1 1 A 42 42 PRO CA C 42 65.300 66.216 -0.916 1
1 347 . 16 1 1 A 42 42 PRO CB C 42 30.200 30.736 -0.536 1
1 350 . 16 1 1 A 43 43 ALA H H 43 6.790 8.138 -1.348 1
1 351 . 16 1 1 A 43 43 ALA HA H 43 4.190 4.091 0.099 1
1 355 . 16 1 1 A 43 43 ALA CA C 43 54.900 55.032 -0.132 1
1 356 . 16 1 1 A 43 43 ALA CB C 43 18.000 18.422 -0.422 1
1 357 . 16 1 1 A 43 43 ALA N N 43 119.500 119.000 0.500 1
1 358 . 16 1 1 A 44 44 VAL H H 44 8.380 7.870 0.510 1
1 359 . 16 1 1 A 44 44 VAL HA H 44 3.460 3.505 -0.045 1
1 367 . 16 1 1 A 44 44 VAL CA C 44 67.200 66.605 0.595 1
1 368 . 16 1 1 A 44 44 VAL CB C 44 31.500 31.678 -0.178 1
1 371 . 16 1 1 A 44 44 VAL N N 44 120.500 118.267 2.233 1
1 372 . 16 1 1 A 45 45 GLU H H 45 8.410 8.283 0.127 1
1 373 . 16 1 1 A 45 45 GLU HA H 45 4.060 3.950 0.110 1
1 378 . 16 1 1 A 45 45 GLU CA C 45 59.600 60.009 -0.409 1
1 379 . 16 1 1 A 45 45 GLU CB C 45 29.300 29.441 -0.141 1
1 381 . 16 1 1 A 45 45 GLU N N 45 118.400 118.534 -0.134 1
1 382 . 16 1 1 A 46 46 GLU H H 46 8.390 7.932 0.458 1
1 383 . 16 1 1 A 46 46 GLU HA H 46 4.200 4.124 0.076 1
1 388 . 16 1 1 A 46 46 GLU CA C 46 58.900 58.905 -0.005 1
1 389 . 16 1 1 A 46 46 GLU CB C 46 29.300 29.225 0.075 1
1 391 . 16 1 1 A 46 46 GLU N N 46 118.800 120.772 -1.972 1
1 392 . 16 1 1 A 47 47 ASN H H 47 7.700 8.372 -0.672 1
1 393 . 16 1 1 A 47 47 ASN HA H 47 4.900 4.647 0.253 1
1 398 . 16 1 1 A 47 47 ASN CA C 47 57.100 56.110 0.990 1
1 399 . 16 1 1 A 47 47 ASN CB C 47 39.000 37.962 1.038 1
1 400 . 16 1 1 A 47 47 ASN N N 47 118.000 118.882 -0.882 1
1 402 . 16 1 1 A 48 48 ASP H H 48 8.810 8.747 0.063 1
1 403 . 16 1 1 A 48 48 ASP HA H 48 4.520 4.369 0.151 1
1 406 . 16 1 1 A 48 48 ASP CA C 48 57.800 57.735 0.065 1
1 407 . 16 1 1 A 48 48 ASP CB C 48 41.700 41.938 -0.238 1
1 408 . 16 1 1 A 48 48 ASP N N 48 124.000 119.210 4.790 1
1 409 . 16 1 1 A 49 49 GLU H H 49 7.310 7.981 -0.671 1
1 410 . 16 1 1 A 49 49 GLU HA H 49 4.070 4.146 -0.076 1
1 415 . 16 1 1 A 49 49 GLU CA C 49 59.500 59.227 0.273 1
1 416 . 16 1 1 A 49 49 GLU CB C 49 29.300 29.177 0.123 1
1 418 . 16 1 1 A 49 49 GLU N N 49 117.600 118.267 -0.667 1
1 419 . 16 1 1 A 50 50 LEU H H 50 7.590 8.459 -0.869 1
1 420 . 16 1 1 A 50 50 LEU HA H 50 4.160 4.209 -0.049 1
1 430 . 16 1 1 A 50 50 LEU CA C 50 58.000 58.014 -0.014 1
1 431 . 16 1 1 A 50 50 LEU CB C 50 41.800 41.677 0.123 1
1 435 . 16 1 1 A 50 50 LEU N N 50 119.500 122.825 -3.325 1
1 436 . 16 1 1 A 51 51 ALA H H 51 8.620 8.703 -0.083 1
1 437 . 16 1 1 A 51 51 ALA HA H 51 4.210 4.034 0.176 1
1 441 . 16 1 1 A 51 51 ALA CA C 51 54.900 55.476 -0.576 1
1 442 . 16 1 1 A 51 51 ALA CB C 51 18.600 18.061 0.539 1
1 443 . 16 1 1 A 51 51 ALA N N 51 118.900 120.920 -2.020 1
1 444 . 16 1 1 A 52 52 ALA H H 52 8.410 8.418 -0.008 1
1 445 . 16 1 1 A 52 52 ALA HA H 52 4.210 4.094 0.116 1
1 449 . 16 1 1 A 52 52 ALA CA C 52 55.100 55.275 -0.175 1
1 450 . 16 1 1 A 52 52 ALA CB C 52 18.400 18.311 0.089 1
1 451 . 16 1 1 A 52 52 ALA N N 52 119.400 121.449 -2.049 1
1 452 . 16 1 1 A 53 53 ARG H H 53 8.070 8.362 -0.292 1
1 453 . 16 1 1 A 53 53 ARG HA H 53 4.130 4.083 0.047 1
1 460 . 16 1 1 A 53 53 ARG CA C 53 59.100 58.966 0.134 1
1 461 . 16 1 1 A 53 53 ARG CB C 53 30.900 29.944 0.956 1
1 464 . 16 1 1 A 53 53 ARG N N 53 119.500 117.741 1.759 1
1 465 . 16 1 1 A 54 54 TRP H H 54 9.270 8.579 0.691 1
1 466 . 16 1 1 A 54 54 TRP HA H 54 3.830 4.209 -0.379 1
1 475 . 16 1 1 A 54 54 TRP CA C 54 62.400 61.328 1.072 1
1 476 . 16 1 1 A 54 54 TRP CB C 54 29.200 29.215 -0.015 1
1 482 . 16 1 1 A 54 54 TRP N N 54 124.000 122.574 1.426 1
1 484 . 16 1 1 A 55 55 ALA H H 55 8.810 8.813 -0.003 1
1 485 . 16 1 1 A 55 55 ALA HA H 55 3.220 3.874 -0.654 1
1 489 . 16 1 1 A 55 55 ALA CA C 55 55.100 55.335 -0.235 1
1 490 . 16 1 1 A 55 55 ALA CB C 55 17.500 18.050 -0.550 1
1 491 . 16 1 1 A 55 55 ALA N N 55 120.800 121.578 -0.778 1
1 492 . 16 1 1 A 56 56 GLU H H 56 7.460 8.062 -0.602 1
1 493 . 16 1 1 A 56 56 GLU HA H 56 3.880 3.964 -0.084 1
1 498 . 16 1 1 A 56 56 GLU CA C 56 59.200 59.325 -0.125 1
1 499 . 16 1 1 A 56 56 GLU CB C 56 29.500 29.180 0.320 1
1 501 . 16 1 1 A 56 56 GLU N N 56 114.800 118.724 -3.924 1
1 502 . 16 1 1 A 57 57 GLY H H 57 7.650 8.566 -0.916 1
1 503 . 16 1 1 A 57 57 GLY HA2 H 57 3.490 3.744 -0.254 1
1 504 . 16 1 1 A 57 57 GLY HA3 H 57 3.850 3.786 0.064 1
1 505 . 16 1 1 A 57 57 GLY CA C 57 47.100 46.987 0.113 1
1 506 . 16 1 1 A 57 57 GLY N N 57 106.000 108.396 -2.396 1
1 507 . 16 1 1 A 58 58 ALA H H 58 8.950 8.078 0.872 1
1 508 . 16 1 1 A 58 58 ALA HA H 58 3.640 3.673 -0.033 1
1 512 . 16 1 1 A 58 58 ALA CA C 58 54.500 54.739 -0.239 1
1 513 . 16 1 1 A 58 58 ALA CB C 58 16.700 18.987 -2.287 1
1 514 . 16 1 1 A 58 58 ALA N N 58 127.400 124.929 2.471 1
1 515 . 16 1 1 A 59 59 LEU H H 59 8.370 8.499 -0.129 1
1 516 . 16 1 1 A 59 59 LEU HA H 59 3.920 3.821 0.099 1
1 526 . 16 1 1 A 59 59 LEU CA C 59 57.300 57.892 -0.592 1
1 527 . 16 1 1 A 59 59 LEU CB C 59 40.800 41.296 -0.496 1
1 531 . 16 1 1 A 59 59 LEU N N 59 116.800 118.654 -1.854 1
1 532 . 16 1 1 A 60 60 GLU H H 60 7.310 8.244 -0.934 1
1 533 . 16 1 1 A 60 60 GLU HA H 60 4.030 3.957 0.073 1
1 538 . 16 1 1 A 60 60 GLU CA C 60 58.800 59.256 -0.456 1
1 539 . 16 1 1 A 60 60 GLU CB C 60 28.900 29.439 -0.539 1
1 541 . 16 1 1 A 60 60 GLU N N 60 119.000 120.658 -1.658 1
1 542 . 16 1 1 A 61 61 LEU H H 61 7.700 8.013 -0.313 1
1 543 . 16 1 1 A 61 61 LEU HA H 61 4.000 3.993 0.007 1
1 553 . 16 1 1 A 61 61 LEU CA C 61 58.100 58.284 -0.184 1
1 554 . 16 1 1 A 61 61 LEU CB C 61 41.400 41.648 -0.248 1
1 558 . 16 1 1 A 61 61 LEU N N 61 120.800 120.607 0.193 1
1 559 . 16 1 1 A 62 62 ILE H H 62 7.510 8.059 -0.549 1
1 560 . 16 1 1 A 62 62 ILE HA H 62 4.040 3.839 0.201 1
1 570 . 16 1 1 A 62 62 ILE CA C 62 63.200 64.009 -0.809 1
1 571 . 16 1 1 A 62 62 ILE CB C 62 37.200 37.287 -0.087 1
1 575 . 16 1 1 A 62 62 ILE N N 62 110.700 115.000 -4.300 1
1 576 . 16 1 1 A 63 63 LYS H H 63 7.520 7.674 -0.154 1
1 577 . 16 1 1 A 63 63 LYS HA H 63 4.070 4.027 0.043 1
1 586 . 16 1 1 A 63 63 LYS CA C 63 58.600 59.157 -0.557 1
1 587 . 16 1 1 A 63 63 LYS CB C 63 32.800 32.308 0.492 1
1 590 . 16 1 1 A 63 63 LYS N N 63 121.100 121.077 0.023 1
1 591 . 16 1 1 A 64 64 VAL H H 64 7.630 7.809 -0.179 1
1 592 . 16 1 1 A 64 64 VAL HA H 64 3.950 3.517 0.433 1
1 600 . 16 1 1 A 64 64 VAL CA C 64 63.900 66.465 -2.565 1
1 601 . 16 1 1 A 64 64 VAL CB C 64 32.400 31.777 0.623 1
1 604 . 16 1 1 A 64 64 VAL N N 64 115.200 119.731 -4.531 1
1 605 . 16 1 1 A 65 65 ARG H H 65 7.980 8.091 -0.111 1
1 606 . 16 1 1 A 65 65 ARG HA H 65 4.390 4.306 0.084 1
1 613 . 16 1 1 A 65 65 ARG CA C 65 55.200 57.793 -2.593 1
1 614 . 16 1 1 A 65 65 ARG CB C 65 31.500 30.593 0.907 1
1 617 . 16 1 1 A 65 65 ARG N N 65 118.300 120.020 -1.720 1
1 618 . 16 1 1 A 66 66 ARG HA H 66 4.340 4.605 -0.265 1
1 621 . 16 1 1 A 66 66 ARG CA C 66 54.900 54.785 0.115 1
1 622 . 16 1 1 A 66 66 ARG CB C 66 29.200 32.517 -3.317 1
1 629 . 16 1 1 A 68 68 LYS HA H 68 4.100 4.076 0.024 1
1 638 . 16 1 1 A 68 68 LYS CA C 68 57.900 58.788 -0.888 1
1 639 . 16 1 1 A 68 68 LYS CB C 68 34.100 32.971 1.129 1
1 643 . 16 1 1 A 69 69 TYR HA H 69 4.760 4.620 0.140 1
1 650 . 16 1 1 A 69 69 TYR CA C 69 57.800 59.143 -1.343 1
1 651 . 16 1 1 A 69 69 TYR CB C 69 39.600 40.159 -0.559 1
1 654 . 16 1 1 A 70 70 VAL H H 70 6.950 8.184 -1.234 1
1 655 . 16 1 1 A 70 70 VAL HA H 70 4.720 4.129 0.591 1
1 663 . 16 1 1 A 70 70 VAL CA C 70 60.000 62.606 -2.606 1
1 664 . 16 1 1 A 70 70 VAL CB C 70 34.500 32.852 1.648 1
1 667 . 16 1 1 A 70 70 VAL N N 70 115.400 119.294 -3.894 1
1 668 . 16 1 1 A 71 71 HIS H H 71 7.870 9.137 -1.267 1
1 669 . 16 1 1 A 71 71 HIS HA H 71 4.910 4.983 -0.073 1
1 673 . 16 1 1 A 71 71 HIS CA C 71 54.100 54.786 -0.686 1
1 674 . 16 1 1 A 71 71 HIS CB C 71 33.700 32.408 1.292 1
1 676 . 16 1 1 A 71 71 HIS N N 71 120.600 126.015 -5.415 1
1 677 . 16 1 1 A 72 72 LYS H H 72 8.400 8.932 -0.532 1
1 678 . 16 1 1 A 72 72 LYS HA H 72 3.680 3.852 -0.172 1
1 687 . 16 1 1 A 72 72 LYS CA C 72 60.600 60.328 0.272 1
1 688 . 16 1 1 A 72 72 LYS CB C 72 32.800 32.168 0.632 1
1 692 . 16 1 1 A 73 73 GLU H H 73 9.680 8.385 1.295 1
1 693 . 16 1 1 A 73 73 GLU HA H 73 4.170 4.043 0.127 1
1 698 . 16 1 1 A 73 73 GLU CA C 73 60.000 59.371 0.629 1
1 699 . 16 1 1 A 73 73 GLU CB C 73 28.300 29.556 -1.256 1
1 701 . 16 1 1 A 73 73 GLU N N 73 117.300 118.625 -1.325 1
1 702 . 16 1 1 A 74 74 GLN H H 74 7.360 8.110 -0.750 1
1 703 . 16 1 1 A 74 74 GLN HA H 74 4.180 3.993 0.187 1
1 710 . 16 1 1 A 74 74 GLN CA C 74 58.300 59.184 -0.884 1
1 711 . 16 1 1 A 74 74 GLN CB C 74 28.300 28.112 0.188 1
1 713 . 16 1 1 A 74 74 GLN N N 74 117.700 118.652 -0.952 1
1 715 . 16 1 1 A 75 75 ILE H H 75 7.530 7.937 -0.407 1
1 716 . 16 1 1 A 75 75 ILE HA H 75 3.780 3.894 -0.114 1
1 726 . 16 1 1 A 75 75 ILE CA C 75 64.100 65.516 -1.416 1
1 727 . 16 1 1 A 75 75 ILE CB C 75 36.800 37.849 -1.049 1
1 731 . 16 1 1 A 75 75 ILE N N 75 120.600 121.023 -0.423 1
1 732 . 16 1 1 A 76 76 GLU H H 76 8.340 7.894 0.446 1
1 733 . 16 1 1 A 76 76 GLU HA H 76 3.970 4.075 -0.105 1
1 738 . 16 1 1 A 76 76 GLU CA C 76 59.200 59.272 -0.072 1
1 739 . 16 1 1 A 76 76 GLU CB C 76 29.700 28.934 0.766 1
1 741 . 16 1 1 A 76 76 GLU N N 76 117.500 121.108 -3.608 1
1 742 . 16 1 1 A 77 77 ALA H H 77 7.390 8.059 -0.669 1
1 743 . 16 1 1 A 77 77 ALA HA H 77 4.370 4.134 0.236 1
1 747 . 16 1 1 A 77 77 ALA CA C 77 53.400 54.963 -1.563 1
1 748 . 16 1 1 A 77 77 ALA CB C 77 18.800 18.954 -0.154 1
1 749 . 16 1 1 A 77 77 ALA N N 77 118.600 123.226 -4.626 1
1 750 . 16 1 1 A 78 78 VAL H H 78 7.620 8.426 -0.806 1
1 751 . 16 1 1 A 78 78 VAL HA H 78 3.720 3.432 0.288 1
1 759 . 16 1 1 A 78 78 VAL CA C 78 66.700 66.978 -0.278 1
1 760 . 16 1 1 A 78 78 VAL CB C 78 31.500 31.397 0.103 1
1 763 . 16 1 1 A 78 78 VAL N N 78 116.800 118.386 -1.586 1
1 764 . 16 1 1 A 79 79 LYS H H 79 8.570 8.157 0.413 1
1 765 . 16 1 1 A 79 79 LYS HA H 79 3.780 4.072 -0.292 1
1 774 . 16 1 1 A 79 79 LYS CA C 79 61.800 60.193 1.607 1
1 775 . 16 1 1 A 79 79 LYS CB C 79 31.500 32.230 -0.730 1
1 779 . 16 1 1 A 79 79 LYS N N 79 119.500 120.544 -1.044 1
1 780 . 16 1 1 A 80 80 ASP H H 80 8.350 7.953 0.397 1
1 781 . 16 1 1 A 80 80 ASP HA H 80 4.490 4.319 0.171 1
1 784 . 16 1 1 A 80 80 ASP CA C 80 57.300 57.860 -0.560 1
1 785 . 16 1 1 A 80 80 ASP CB C 80 40.000 41.711 -1.711 1
1 786 . 16 1 1 A 80 80 ASP N N 80 115.500 119.847 -4.347 1
1 787 . 16 1 1 A 81 81 ASN H H 81 7.690 8.536 -0.846 1
1 788 . 16 1 1 A 81 81 ASN HA H 81 4.540 4.441 0.099 1
1 793 . 16 1 1 A 81 81 ASN CA C 81 55.500 56.408 -0.908 1
1 794 . 16 1 1 A 81 81 ASN CB C 81 38.600 38.179 0.421 1
1 795 . 16 1 1 A 81 81 ASN N N 81 118.300 117.352 0.948 1
1 797 . 16 1 1 A 82 82 PHE H H 82 9.620 8.658 0.962 1
1 798 . 16 1 1 A 82 82 PHE HA H 82 4.060 4.110 -0.050 1
1 806 . 16 1 1 A 82 82 PHE CA C 82 60.900 61.488 -0.588 1
1 807 . 16 1 1 A 82 82 PHE CB C 82 39.500 39.435 0.065 1
1 811 . 16 1 1 A 82 82 PHE N N 82 121.400 122.775 -1.375 1
1 812 . 16 1 1 A 83 83 LEU H H 83 8.210 8.441 -0.231 1
1 813 . 16 1 1 A 83 83 LEU HA H 83 3.900 3.786 0.114 1
1 823 . 16 1 1 A 83 83 LEU CA C 83 57.000 57.855 -0.855 1
1 824 . 16 1 1 A 83 83 LEU CB C 83 40.400 41.375 -0.975 1
1 828 . 16 1 1 A 83 83 LEU N N 83 117.400 119.235 -1.835 1
1 829 . 16 1 1 A 84 84 GLU H H 84 7.660 7.902 -0.242 1
1 830 . 16 1 1 A 84 84 GLU HA H 84 4.150 4.077 0.073 1
1 835 . 16 1 1 A 84 84 GLU CA C 84 59.500 59.241 0.259 1
1 836 . 16 1 1 A 84 84 GLU CB C 84 28.700 29.439 -0.739 1
1 838 . 16 1 1 A 84 84 GLU N N 84 121.500 118.276 3.224 1
1 839 . 16 1 1 A 85 85 LEU H H 85 8.100 7.988 0.112 1
1 840 . 16 1 1 A 85 85 LEU HA H 85 3.600 3.917 -0.317 1
1 850 . 16 1 1 A 85 85 LEU CA C 85 59.300 58.226 1.074 1
1 851 . 16 1 1 A 85 85 LEU CB C 85 41.800 41.514 0.286 1
1 855 . 16 1 1 A 85 85 LEU N N 85 121.700 122.070 -0.370 1
1 856 . 16 1 1 A 86 86 VAL H H 86 8.220 8.123 0.097 1
1 857 . 16 1 1 A 86 86 VAL HA H 86 3.100 3.368 -0.268 1
1 865 . 16 1 1 A 86 86 VAL CA C 86 67.200 66.881 0.319 1
1 866 . 16 1 1 A 86 86 VAL CB C 86 31.500 31.201 0.299 1
1 869 . 16 1 1 A 86 86 VAL N N 86 118.400 119.045 -0.645 1
1 870 . 16 1 1 A 87 87 LEU H H 87 8.450 8.091 0.359 1
1 871 . 16 1 1 A 87 87 LEU HA H 87 3.960 3.906 0.054 1
1 881 . 16 1 1 A 87 87 LEU CA C 87 59.100 58.527 0.573 1
1 882 . 16 1 1 A 87 87 LEU CB C 87 42.300 41.660 0.640 1
1 886 . 16 1 1 A 87 87 LEU N N 87 120.200 120.137 0.063 1
1 887 . 16 1 1 A 88 88 GLN H H 88 9.350 8.079 1.271 1
1 888 . 16 1 1 A 88 88 GLN HA H 88 4.180 4.417 -0.237 1
1 895 . 16 1 1 A 88 88 GLN CA C 88 57.300 56.660 0.640 1
1 896 . 16 1 1 A 88 88 GLN CB C 88 25.400 29.331 -3.931 1
1 898 . 16 1 1 A 88 88 GLN N N 88 114.900 118.799 -3.899 1
1 900 . 16 1 1 A 89 89 SER H H 89 8.680 7.677 1.003 1
1 901 . 16 1 1 A 89 89 SER HA H 89 4.080 4.168 -0.088 1
1 904 . 16 1 1 A 89 89 SER CA C 89 61.900 61.192 0.708 1
1 905 . 16 1 1 A 89 89 SER CB C 89 62.200 62.734 -0.534 1
1 906 . 16 1 1 A 89 89 SER N N 89 117.500 115.313 2.187 1
1 907 . 16 1 1 A 90 90 TYR H H 90 7.330 7.574 -0.244 1
1 908 . 16 1 1 A 90 90 TYR HA H 90 4.320 4.139 0.181 1
1 915 . 16 1 1 A 90 90 TYR CA C 90 59.700 60.386 -0.686 1
1 916 . 16 1 1 A 90 90 TYR CB C 90 41.400 38.847 2.553 1
1 919 . 16 1 1 A 90 90 TYR N N 90 116.000 119.384 -3.384 1
1 920 . 16 1 1 A 91 91 VAL H H 91 7.730 7.738 -0.008 1
1 921 . 16 1 1 A 91 91 VAL HA H 91 4.010 4.021 -0.011 1
1 929 . 16 1 1 A 91 91 VAL CA C 91 62.600 65.130 -2.530 1
1 930 . 16 1 1 A 91 91 VAL CB C 91 32.700 32.793 -0.093 1
1 933 . 16 1 1 A 91 91 VAL N N 91 110.500 115.881 -5.381 1
1 934 . 16 1 1 A 92 92 HIS H H 92 8.600 7.650 0.950 1
1 935 . 16 1 1 A 92 92 HIS HA H 92 4.280 4.432 -0.152 1
1 939 . 16 1 1 A 92 92 HIS CA C 92 56.000 56.615 -0.615 1
1 940 . 16 1 1 A 92 92 HIS CB C 92 29.200 26.824 2.376 1
1 942 . 16 1 1 A 92 92 HIS N N 92 114.500 115.949 -1.449 1
1 943 . 16 1 1 A 93 93 HIS H H 93 8.350 8.067 0.283 1
1 944 . 16 1 1 A 93 93 HIS HA H 93 4.780 4.387 0.393 1
1 948 . 16 1 1 A 93 93 HIS CA C 93 57.600 58.781 -1.181 1
1 949 . 16 1 1 A 93 93 HIS CB C 93 31.900 30.578 1.322 1
1 951 . 16 1 1 A 93 93 HIS N N 93 118.200 117.989 0.211 1
1 952 . 16 1 1 A 94 94 ILE H H 94 7.470 7.643 -0.173 1
1 953 . 16 1 1 A 94 94 ILE HA H 94 4.370 4.280 0.090 1
1 963 . 16 1 1 A 94 94 ILE CA C 94 60.900 60.041 0.859 1
1 964 . 16 1 1 A 94 94 ILE CB C 94 39.600 39.524 0.076 1
1 968 . 16 1 1 A 94 94 ILE N N 94 111.400 113.403 -2.003 1
1 969 . 16 1 1 A 95 95 HIS H H 95 6.990 8.454 -1.464 1
1 970 . 16 1 1 A 96 96 LYS HA H 96 4.040 4.529 -0.489 1
1 977 . 16 1 1 A 97 97 LYS HA H 97 4.130 3.956 0.174 1
1 986 . 16 1 1 A 97 97 LYS CA C 97 59.400 59.666 -0.266 1
1 987 . 16 1 1 A 97 97 LYS CB C 97 32.000 32.084 -0.084 1
1 991 . 16 1 1 A 98 98 ARG H H 98 7.150 7.956 -0.806 1
1 992 . 16 1 1 A 98 98 ARG HA H 98 4.150 3.932 0.218 1
1 999 . 16 1 1 A 98 98 ARG CA C 98 57.900 59.235 -1.335 1
1 1000 . 16 1 1 A 98 98 ARG CB C 98 28.600 29.603 -1.003 1
1 1003 . 16 1 1 A 98 98 ARG N N 98 118.500 120.312 -1.812 1
1 1004 . 16 1 1 A 99 99 PHE H H 99 8.260 7.776 0.484 1
1 1005 . 16 1 1 A 99 99 PHE HA H 99 3.450 3.980 -0.530 1
1 1013 . 16 1 1 A 99 99 PHE CA C 99 62.700 61.392 1.308 1
1 1014 . 16 1 1 A 99 99 PHE CB C 99 39.200 38.960 0.240 1
1 1018 . 16 1 1 A 99 99 PHE N N 99 119.100 119.936 -0.836 1
1 1019 . 16 1 1 A 100 100 LYS H H 100 8.500 7.730 0.770 1
1 1020 . 16 1 1 A 100 100 LYS HA H 100 3.980 3.877 0.103 1
1 1029 . 16 1 1 A 100 100 LYS CA C 100 59.300 59.138 0.162 1
1 1030 . 16 1 1 A 100 100 LYS CB C 100 31.900 32.548 -0.648 1
1 1034 . 16 1 1 A 100 100 LYS N N 100 121.700 118.157 3.543 1
1 1035 . 16 1 1 A 101 101 ASP H H 101 8.150 8.766 -0.616 1
1 1036 . 16 1 1 A 101 101 ASP HA H 101 4.290 4.302 -0.012 1
1 1039 . 16 1 1 A 101 101 ASP CA C 101 57.300 57.840 -0.540 1
1 1040 . 16 1 1 A 101 101 ASP CB C 101 39.900 41.662 -1.762 1
1 1041 . 16 1 1 A 101 101 ASP N N 101 119.800 119.718 0.082 1
1 1042 . 16 1 1 A 102 102 ILE H H 102 8.220 7.770 0.450 1
1 1043 . 16 1 1 A 102 102 ILE HA H 102 3.690 3.501 0.189 1
1 1053 . 16 1 1 A 102 102 ILE CA C 102 65.000 65.213 -0.213 1
1 1054 . 16 1 1 A 102 102 ILE CB C 102 37.700 37.449 0.251 1
1 1058 . 16 1 1 A 102 102 ILE N N 102 118.800 119.274 -0.474 1
1 1059 . 16 1 1 A 103 103 THR H H 103 7.930 7.907 0.023 1
1 1060 . 16 1 1 A 103 103 THR HA H 103 3.480 3.671 -0.191 1
1 1066 . 16 1 1 A 103 103 THR CA C 103 67.300 66.884 0.416 1
1 1067 . 16 1 1 A 103 103 THR CB C 103 67.700 68.262 -0.562 1
1 1069 . 16 1 1 A 103 103 THR N N 103 117.900 116.748 1.152 1
1 1070 . 16 1 1 A 104 104 GLU H H 104 8.470 8.775 -0.305 1
1 1071 . 16 1 1 A 104 104 GLU HA H 104 3.920 3.843 0.077 1
1 1076 . 16 1 1 A 104 104 GLU CA C 104 59.500 59.773 -0.273 1
1 1077 . 16 1 1 A 104 104 GLU CB C 104 29.200 29.377 -0.177 1
1 1079 . 16 1 1 A 104 104 GLU N N 104 118.900 120.394 -1.494 1
1 1080 . 16 1 1 A 105 105 SER H H 105 7.840 8.368 -0.528 1
1 1081 . 16 1 1 A 105 105 SER HA H 105 4.290 4.152 0.138 1
1 1084 . 16 1 1 A 105 105 SER CA C 105 60.900 62.651 -1.751 1
1 1085 . 16 1 1 A 105 105 SER CB C 105 62.700 62.976 -0.276 1
1 1086 . 16 1 1 A 105 105 SER N N 105 114.200 116.666 -2.466 1
1 1087 . 16 1 1 A 106 106 VAL H H 106 8.290 8.068 0.222 1
1 1088 . 16 1 1 A 106 106 VAL HA H 106 3.690 3.576 0.114 1
1 1096 . 16 1 1 A 106 106 VAL CA C 106 66.300 66.856 -0.556 1
1 1097 . 16 1 1 A 106 106 VAL CB C 106 31.900 31.696 0.204 1
1 1100 . 16 1 1 A 106 106 VAL N N 106 122.100 122.212 -0.112 1
1 1101 . 16 1 1 A 107 107 LEU H H 107 8.560 8.521 0.039 1
1 1102 . 16 1 1 A 107 107 LEU HA H 107 3.900 3.671 0.229 1
1 1112 . 16 1 1 A 107 107 LEU CA C 107 58.300 57.888 0.412 1
1 1113 . 16 1 1 A 107 107 LEU CB C 107 41.200 41.259 -0.059 1
1 1117 . 16 1 1 A 107 107 LEU N N 107 117.500 118.199 -0.699 1
1 1118 . 16 1 1 A 108 108 TYR H H 108 8.450 8.701 -0.251 1
1 1119 . 16 1 1 A 108 108 TYR HA H 108 4.170 3.953 0.217 1
1 1126 . 16 1 1 A 108 108 TYR CA C 108 61.800 62.041 -0.241 1
1 1127 . 16 1 1 A 108 108 TYR CB C 108 37.900 38.425 -0.525 1
1 1130 . 16 1 1 A 108 108 TYR N N 108 119.000 119.061 -0.061 1
1 1131 . 16 1 1 A 109 109 THR H H 109 7.800 8.014 -0.214 1
1 1132 . 16 1 1 A 109 109 THR HA H 109 3.860 4.029 -0.169 1
1 1137 . 16 1 1 A 109 109 THR CA C 109 66.800 67.338 -0.538 1
1 1138 . 16 1 1 A 109 109 THR CB C 109 67.800 68.004 -0.204 1
1 1140 . 16 1 1 A 109 109 THR N N 109 116.500 115.090 1.410 1
1 1141 . 16 1 1 A 110 110 LEU H H 110 8.510 8.465 0.045 1
1 1142 . 16 1 1 A 110 110 LEU HA H 110 3.900 3.993 -0.093 1
1 1152 . 16 1 1 A 110 110 LEU CA C 110 58.500 57.887 0.613 1
1 1153 . 16 1 1 A 110 110 LEU CB C 110 41.300 41.631 -0.331 1
1 1157 . 16 1 1 A 110 110 LEU N N 110 121.000 120.834 0.166 1
1 1158 . 16 1 1 A 111 111 HIS H H 111 8.440 8.484 -0.044 1
1 1159 . 16 1 1 A 111 111 HIS HA H 111 4.000 4.193 -0.193 1
1 1163 . 16 1 1 A 111 111 HIS CA C 111 60.900 60.208 0.692 1
1 1164 . 16 1 1 A 111 111 HIS CB C 111 29.700 29.412 0.288 1
1 1166 . 16 1 1 A 111 111 HIS N N 111 116.300 117.658 -1.358 1
1 1167 . 16 1 1 A 112 112 ALA H H 112 7.920 8.007 -0.087 1
1 1168 . 16 1 1 A 112 112 ALA HA H 112 4.130 3.535 0.595 1
1 1172 . 16 1 1 A 112 112 ALA CA C 112 55.000 54.875 0.125 1
1 1173 . 16 1 1 A 112 112 ALA CB C 112 17.600 18.250 -0.650 1
1 1174 . 16 1 1 A 112 112 ALA N N 112 122.900 121.997 0.903 1
1 1175 . 16 1 1 A 113 113 VAL H H 113 8.300 8.198 0.102 1
1 1176 . 16 1 1 A 113 113 VAL HA H 113 3.540 3.430 0.110 1
1 1184 . 16 1 1 A 113 113 VAL CA C 113 67.200 67.116 0.084 1
1 1185 . 16 1 1 A 113 113 VAL CB C 113 31.000 31.670 -0.670 1
1 1188 . 16 1 1 A 113 113 VAL N N 113 119.000 118.475 0.525 1
1 1189 . 16 1 1 A 114 114 LYS H H 114 8.220 8.165 0.055 1
1 1190 . 16 1 1 A 114 114 LYS HA H 114 3.810 3.980 -0.170 1
1 1199 . 16 1 1 A 114 114 LYS CA C 114 60.800 59.879 0.921 1
1 1200 . 16 1 1 A 114 114 LYS CB C 114 31.500 32.169 -0.669 1
1 1204 . 16 1 1 A 114 114 LYS N N 114 120.600 120.329 0.271 1
1 1205 . 16 1 1 A 115 115 ASP H H 115 8.180 7.793 0.387 1
1 1206 . 16 1 1 A 115 115 ASP HA H 115 4.300 4.356 -0.056 1
1 1209 . 16 1 1 A 115 115 ASP CA C 115 56.800 57.517 -0.717 1
1 1210 . 16 1 1 A 115 115 ASP CB C 115 39.600 40.937 -1.337 1
1 1211 . 16 1 1 A 115 115 ASP N N 115 118.800 119.195 -0.395 1
1 1212 . 16 1 1 A 116 116 GLU H H 116 7.990 7.964 0.026 1
1 1213 . 16 1 1 A 116 116 GLU HA H 116 4.060 4.152 -0.092 1
1 1218 . 16 1 1 A 116 116 GLU CA C 116 58.400 59.263 -0.863 1
1 1219 . 16 1 1 A 116 116 GLU CB C 116 29.000 29.781 -0.781 1
1 1221 . 16 1 1 A 116 116 GLU N N 116 120.800 118.895 1.905 1
1 1222 . 16 1 1 A 117 117 ILE H H 117 8.370 8.243 0.127 1
1 1223 . 16 1 1 A 117 117 ILE HA H 117 3.610 3.648 -0.038 1
1 1233 . 16 1 1 A 117 117 ILE CA C 117 64.800 65.775 -0.975 1
1 1234 . 16 1 1 A 117 117 ILE CB C 117 38.600 38.281 0.319 1
1 1238 . 16 1 1 A 117 117 ILE N N 117 119.700 121.773 -2.073 1
1 1239 . 16 1 1 A 118 118 ALA H H 118 7.720 7.852 -0.132 1
1 1240 . 16 1 1 A 118 118 ALA HA H 118 4.250 4.195 0.055 1
1 1244 . 16 1 1 A 118 118 ALA CA C 118 52.900 54.185 -1.285 1
1 1245 . 16 1 1 A 118 118 ALA CB C 118 18.700 18.321 0.379 1
1 1246 . 16 1 1 A 118 118 ALA N N 118 119.900 121.882 -1.982 1
1 1247 . 16 1 1 A 119 119 ARG H H 119 7.450 7.550 -0.100 1
1 1248 . 16 1 1 A 119 119 ARG HA H 119 4.110 4.122 -0.012 1
1 1255 . 16 1 1 A 119 119 ARG CA C 119 57.600 59.045 -1.445 1
1 1256 . 16 1 1 A 119 119 ARG CB C 119 31.000 30.436 0.564 1
1 1259 . 16 1 1 A 119 119 ARG N N 119 118.400 118.962 -0.562 1
1 1260 . 16 1 1 A 120 120 GLU H H 120 8.890 7.746 1.144 1
1 1261 . 16 1 1 A 120 120 GLU HA H 120 4.280 4.294 -0.014 1
1 1266 . 16 1 1 A 120 120 GLU CA C 120 57.600 58.239 -0.639 1
1 1267 . 16 1 1 A 120 120 GLU CB C 120 30.100 30.489 -0.389 1
1 1269 . 16 1 1 A 120 120 GLU N N 120 114.900 118.575 -3.675 1
1 1 . 17 1 1 A 6 6 LEU HA H 6 4.230 4.071 0.159 1
1 11 . 17 1 1 A 6 6 LEU CA C 6 58.000 57.739 0.261 1
1 12 . 17 1 1 A 6 6 LEU CB C 6 40.900 41.405 -0.505 1
1 16 . 17 1 1 A 7 7 LEU H H 7 8.970 7.980 0.990 1
1 17 . 17 1 1 A 7 7 LEU HA H 7 3.970 4.079 -0.109 1
1 27 . 17 1 1 A 7 7 LEU CA C 7 58.500 58.508 -0.008 1
1 28 . 17 1 1 A 7 7 LEU CB C 7 41.000 41.774 -0.774 1
1 32 . 17 1 1 A 7 7 LEU N N 7 124.300 120.204 4.096 1
1 33 . 17 1 1 A 8 8 GLU H H 8 7.910 8.018 -0.108 1
1 34 . 17 1 1 A 8 8 GLU HA H 8 4.040 3.956 0.084 1
1 39 . 17 1 1 A 8 8 GLU CA C 8 59.500 60.041 -0.541 1
1 40 . 17 1 1 A 8 8 GLU CB C 8 29.200 29.186 0.014 1
1 42 . 17 1 1 A 8 8 GLU N N 8 119.000 118.505 0.495 1
1 43 . 17 1 1 A 9 9 MET H H 9 8.520 8.152 0.368 1
1 44 . 17 1 1 A 9 9 MET HA H 9 4.030 4.252 -0.222 1
1 52 . 17 1 1 A 9 9 MET CA C 9 59.900 58.327 1.573 1
1 53 . 17 1 1 A 9 9 MET CB C 9 36.000 32.971 3.029 1
1 56 . 17 1 1 A 9 9 MET N N 9 117.500 119.160 -1.660 1
1 57 . 17 1 1 A 10 10 THR H H 10 8.470 7.671 0.799 1
1 58 . 17 1 1 A 10 10 THR HA H 10 3.550 3.975 -0.425 1
1 64 . 17 1 1 A 10 10 THR CA C 10 67.200 66.739 0.461 1
1 65 . 17 1 1 A 10 10 THR CB C 10 68.500 68.386 0.114 1
1 67 . 17 1 1 A 10 10 THR N N 10 116.600 115.446 1.154 1
1 68 . 17 1 1 A 11 11 GLU H H 11 8.500 8.975 -0.475 1
1 69 . 17 1 1 A 11 11 GLU HA H 11 3.910 3.890 0.020 1
1 74 . 17 1 1 A 11 11 GLU CA C 11 59.400 59.927 -0.527 1
1 75 . 17 1 1 A 11 11 GLU CB C 11 29.200 29.275 -0.075 1
1 77 . 17 1 1 A 11 11 GLU N N 11 119.400 119.595 -0.195 1
1 78 . 17 1 1 A 12 12 GLN H H 12 8.140 7.773 0.367 1
1 79 . 17 1 1 A 12 12 GLN HA H 12 4.100 4.109 -0.009 1
1 86 . 17 1 1 A 12 12 GLN CA C 12 59.000 58.535 0.465 1
1 87 . 17 1 1 A 12 12 GLN CB C 12 27.800 28.485 -0.685 1
1 89 . 17 1 1 A 12 12 GLN N N 12 120.400 120.001 0.399 1
1 91 . 17 1 1 A 13 13 MET H H 13 8.120 7.813 0.307 1
1 92 . 17 1 1 A 13 13 MET HA H 13 3.710 4.069 -0.359 1
1 100 . 17 1 1 A 13 13 MET CA C 13 59.600 58.624 0.976 1
1 101 . 17 1 1 A 13 13 MET CB C 13 33.300 32.441 0.859 1
1 104 . 17 1 1 A 13 13 MET N N 13 118.500 118.041 0.459 1
1 105 . 17 1 1 A 14 14 ILE H H 14 8.040 8.244 -0.204 1
1 106 . 17 1 1 A 14 14 ILE HA H 14 3.270 3.607 -0.337 1
1 116 . 17 1 1 A 14 14 ILE CA C 14 65.700 65.255 0.445 1
1 117 . 17 1 1 A 14 14 ILE CB C 14 38.000 37.966 0.034 1
1 121 . 17 1 1 A 14 14 ILE N N 14 119.400 119.424 -0.024 1
1 122 . 17 1 1 A 15 15 GLU H H 15 7.700 7.962 -0.262 1
1 123 . 17 1 1 A 15 15 GLU HA H 15 4.110 4.052 0.058 1
1 128 . 17 1 1 A 15 15 GLU CA C 15 59.300 59.330 -0.030 1
1 129 . 17 1 1 A 15 15 GLU CB C 15 29.200 29.400 -0.200 1
1 131 . 17 1 1 A 15 15 GLU N N 15 119.000 120.684 -1.684 1
1 132 . 17 1 1 A 16 16 VAL H H 16 8.410 8.134 0.276 1
1 133 . 17 1 1 A 16 16 VAL HA H 16 3.530 3.604 -0.074 1
1 141 . 17 1 1 A 16 16 VAL CA C 16 66.600 66.341 0.259 1
1 142 . 17 1 1 A 16 16 VAL CB C 16 31.900 31.732 0.168 1
1 145 . 17 1 1 A 16 16 VAL N N 16 119.500 120.583 -1.083 1
1 146 . 17 1 1 A 17 17 ALA H H 17 8.600 7.969 0.631 1
1 147 . 17 1 1 A 17 17 ALA HA H 17 4.080 3.841 0.239 1
1 151 . 17 1 1 A 17 17 ALA CA C 17 54.700 55.851 -1.151 1
1 152 . 17 1 1 A 17 17 ALA CB C 17 17.700 18.379 -0.679 1
1 153 . 17 1 1 A 17 17 ALA N N 17 123.100 122.370 0.730 1
1 154 . 17 1 1 A 18 18 GLU H H 18 8.850 7.925 0.925 1
1 155 . 17 1 1 A 18 18 GLU HA H 18 3.990 4.003 -0.013 1
1 160 . 17 1 1 A 18 18 GLU CA C 18 59.500 59.510 -0.010 1
1 161 . 17 1 1 A 18 18 GLU CB C 18 29.700 29.133 0.567 1
1 163 . 17 1 1 A 18 18 GLU N N 18 117.900 117.733 0.167 1
1 164 . 17 1 1 A 19 19 LYS H H 19 8.750 8.371 0.379 1
1 165 . 17 1 1 A 19 19 LYS HA H 19 4.150 4.033 0.117 1
1 174 . 17 1 1 A 19 19 LYS CA C 19 58.700 59.563 -0.863 1
1 175 . 17 1 1 A 19 19 LYS CB C 19 31.900 32.077 -0.177 1
1 179 . 17 1 1 A 19 19 LYS N N 19 119.200 120.741 -1.541 1
1 180 . 17 1 1 A 20 20 GLY H H 20 8.640 8.725 -0.085 1
1 181 . 17 1 1 A 20 20 GLY HA2 H 20 3.790 3.854 -0.064 1
1 182 . 17 1 1 A 20 20 GLY HA3 H 20 3.500 3.864 -0.364 1
1 183 . 17 1 1 A 20 20 GLY CA C 20 46.400 47.177 -0.777 1
1 184 . 17 1 1 A 20 20 GLY N N 20 110.300 107.463 2.837 1
1 185 . 17 1 1 A 21 21 ALA H H 21 8.550 8.266 0.284 1
1 186 . 17 1 1 A 21 21 ALA HA H 21 4.490 4.421 0.069 1
1 190 . 17 1 1 A 21 21 ALA CA C 21 55.100 54.946 0.154 1
1 191 . 17 1 1 A 21 21 ALA CB C 21 17.300 18.786 -1.486 1
1 192 . 17 1 1 A 21 21 ALA N N 21 125.300 124.831 0.469 1
1 193 . 17 1 1 A 22 22 ASP H H 22 7.660 8.528 -0.868 1
1 194 . 17 1 1 A 22 22 ASP HA H 22 4.460 4.366 0.094 1
1 197 . 17 1 1 A 22 22 ASP CA C 22 56.900 57.904 -1.004 1
1 198 . 17 1 1 A 22 22 ASP CB C 22 40.500 42.098 -1.598 1
1 199 . 17 1 1 A 22 22 ASP N N 22 119.000 118.283 0.717 1
1 200 . 17 1 1 A 23 23 ARG H H 23 8.110 8.304 -0.194 1
1 201 . 17 1 1 A 23 23 ARG HA H 23 4.000 3.923 0.077 1
1 208 . 17 1 1 A 23 23 ARG CA C 23 59.200 59.070 0.130 1
1 209 . 17 1 1 A 23 23 ARG CB C 23 30.700 29.753 0.947 1
1 212 . 17 1 1 A 23 23 ARG N N 23 121.800 119.782 2.018 1
1 213 . 17 1 1 A 24 24 TYR H H 24 8.460 8.104 0.356 1
1 214 . 17 1 1 A 24 24 TYR HA H 24 3.780 4.050 -0.270 1
1 221 . 17 1 1 A 24 24 TYR CA C 24 60.900 61.174 -0.274 1
1 222 . 17 1 1 A 24 24 TYR CB C 24 39.400 38.391 1.009 1
1 225 . 17 1 1 A 24 24 TYR N N 24 120.400 120.422 -0.022 1
1 226 . 17 1 1 A 25 25 GLN H H 25 7.540 8.594 -1.054 1
1 227 . 17 1 1 A 25 25 GLN HA H 25 3.750 3.777 -0.027 1
1 232 . 17 1 1 A 25 25 GLN CA C 25 57.800 58.669 -0.869 1
1 233 . 17 1 1 A 25 25 GLN CB C 25 28.400 28.438 -0.038 1
1 235 . 17 1 1 A 25 25 GLN N N 25 117.500 118.288 -0.788 1
1 236 . 17 1 1 A 26 26 GLU H H 26 7.980 8.373 -0.393 1
1 237 . 17 1 1 A 26 26 GLU HA H 26 4.010 3.988 0.022 1
1 242 . 17 1 1 A 26 26 GLU CA C 26 57.900 59.240 -1.340 1
1 243 . 17 1 1 A 26 26 GLU CB C 26 29.700 29.016 0.684 1
1 245 . 17 1 1 A 26 26 GLU N N 26 117.900 120.291 -2.391 1
1 246 . 17 1 1 A 32 32 HIS HA H 32 4.620 4.921 -0.301 1
1 249 . 17 1 1 A 32 32 HIS CA C 32 56.900 56.175 0.725 1
1 250 . 17 1 1 A 32 32 HIS CB C 32 64.000 32.362 31.638 1
1 251 . 17 1 1 A 33 33 SER HA H 33 4.610 4.179 0.431 1
1 254 . 17 1 1 A 33 33 SER CA C 33 56.900 62.419 -5.519 1
1 255 . 17 1 1 A 33 33 SER CB C 33 64.000 63.476 0.524 1
1 256 . 17 1 1 A 34 34 TYR HA H 34 4.630 4.048 0.582 1
1 263 . 17 1 1 A 34 34 TYR CA C 34 56.900 61.280 -4.380 1
1 264 . 17 1 1 A 34 34 TYR CB C 34 40.700 36.873 3.827 1
1 267 . 17 1 1 A 36 36 PHE HA H 36 3.910 3.912 -0.002 1
1 275 . 17 1 1 A 36 36 PHE CA C 36 62.000 61.607 0.393 1
1 276 . 17 1 1 A 36 36 PHE CB C 36 39.200 39.200 0.000 1
1 280 . 17 1 1 A 37 37 PHE H H 37 8.090 8.245 -0.155 1
1 281 . 17 1 1 A 37 37 PHE HA H 37 3.980 4.211 -0.231 1
1 289 . 17 1 1 A 37 37 PHE CA C 37 61.600 61.862 -0.262 1
1 290 . 17 1 1 A 37 37 PHE CB C 37 38.600 38.608 -0.008 1
1 294 . 17 1 1 A 37 37 PHE N N 37 116.200 116.091 0.109 1
1 295 . 17 1 1 A 38 38 GLU H H 38 9.000 8.250 0.750 1
1 296 . 17 1 1 A 38 38 GLU HA H 38 4.130 4.183 -0.053 1
1 301 . 17 1 1 A 38 38 GLU CA C 38 57.700 58.520 -0.820 1
1 302 . 17 1 1 A 38 38 GLU CB C 38 30.600 30.207 0.393 1
1 304 . 17 1 1 A 38 38 GLU N N 38 116.000 120.268 -4.268 1
1 305 . 17 1 1 A 39 39 THR H H 39 7.390 7.624 -0.234 1
1 306 . 17 1 1 A 39 39 THR HA H 39 4.280 4.416 -0.136 1
1 311 . 17 1 1 A 39 39 THR CA C 39 64.100 62.526 1.574 1
1 312 . 17 1 1 A 39 39 THR CB C 39 70.000 70.184 -0.184 1
1 314 . 17 1 1 A 39 39 THR N N 39 110.400 113.202 -2.802 1
1 315 . 17 1 1 A 40 40 ILE H H 40 7.250 7.085 0.165 1
1 316 . 17 1 1 A 40 40 ILE HA H 40 2.570 3.506 -0.936 1
1 326 . 17 1 1 A 40 40 ILE CA C 40 65.800 62.787 3.013 1
1 327 . 17 1 1 A 40 40 ILE CB C 40 37.300 37.165 0.135 1
1 331 . 17 1 1 A 40 40 ILE N N 40 120.900 119.091 1.809 1
1 332 . 17 1 1 A 41 41 LYS H H 41 8.400 8.126 0.274 1
1 333 . 17 1 1 A 41 41 LYS HA H 41 3.650 3.672 -0.022 1
1 336 . 17 1 1 A 41 41 LYS CA C 41 59.000 61.058 -2.058 1
1 337 . 17 1 1 A 41 41 LYS CB C 41 29.700 29.689 0.011 1
1 338 . 17 1 1 A 41 41 LYS N N 41 118.800 120.396 -1.596 1
1 339 . 17 1 1 A 42 42 PRO HA H 42 4.280 4.364 -0.084 1
1 346 . 17 1 1 A 42 42 PRO CA C 42 65.300 66.478 -1.178 1
1 347 . 17 1 1 A 42 42 PRO CB C 42 30.200 30.839 -0.639 1
1 350 . 17 1 1 A 43 43 ALA H H 43 6.790 7.941 -1.151 1
1 351 . 17 1 1 A 43 43 ALA HA H 43 4.190 4.071 0.119 1
1 355 . 17 1 1 A 43 43 ALA CA C 43 54.900 55.118 -0.218 1
1 356 . 17 1 1 A 43 43 ALA CB C 43 18.000 18.231 -0.231 1
1 357 . 17 1 1 A 43 43 ALA N N 43 119.500 119.010 0.490 1
1 358 . 17 1 1 A 44 44 VAL H H 44 8.380 7.750 0.630 1
1 359 . 17 1 1 A 44 44 VAL HA H 44 3.460 3.379 0.081 1
1 367 . 17 1 1 A 44 44 VAL CA C 44 67.200 66.874 0.326 1
1 368 . 17 1 1 A 44 44 VAL CB C 44 31.500 31.255 0.245 1
1 371 . 17 1 1 A 44 44 VAL N N 44 120.500 118.488 2.012 1
1 372 . 17 1 1 A 45 45 GLU H H 45 8.410 8.568 -0.158 1
1 373 . 17 1 1 A 45 45 GLU HA H 45 4.060 3.916 0.144 1
1 378 . 17 1 1 A 45 45 GLU CA C 45 59.600 59.862 -0.262 1
1 379 . 17 1 1 A 45 45 GLU CB C 45 29.300 29.159 0.141 1
1 381 . 17 1 1 A 45 45 GLU N N 45 118.400 118.591 -0.191 1
1 382 . 17 1 1 A 46 46 GLU H H 46 8.390 7.768 0.622 1
1 383 . 17 1 1 A 46 46 GLU HA H 46 4.200 4.117 0.083 1
1 388 . 17 1 1 A 46 46 GLU CA C 46 58.900 58.977 -0.077 1
1 389 . 17 1 1 A 46 46 GLU CB C 46 29.300 29.294 0.006 1
1 391 . 17 1 1 A 46 46 GLU N N 46 118.800 120.322 -1.522 1
1 392 . 17 1 1 A 47 47 ASN H H 47 7.700 8.467 -0.767 1
1 393 . 17 1 1 A 47 47 ASN HA H 47 4.900 4.686 0.214 1
1 398 . 17 1 1 A 47 47 ASN CA C 47 57.100 56.045 1.055 1
1 399 . 17 1 1 A 47 47 ASN CB C 47 39.000 37.933 1.067 1
1 400 . 17 1 1 A 47 47 ASN N N 47 118.000 119.105 -1.105 1
1 402 . 17 1 1 A 48 48 ASP H H 48 8.810 8.783 0.027 1
1 403 . 17 1 1 A 48 48 ASP HA H 48 4.520 4.390 0.130 1
1 406 . 17 1 1 A 48 48 ASP CA C 48 57.800 57.969 -0.169 1
1 407 . 17 1 1 A 48 48 ASP CB C 48 41.700 41.988 -0.288 1
1 408 . 17 1 1 A 48 48 ASP N N 48 124.000 118.713 5.287 1
1 409 . 17 1 1 A 49 49 GLU H H 49 7.310 7.964 -0.654 1
1 410 . 17 1 1 A 49 49 GLU HA H 49 4.070 4.107 -0.037 1
1 415 . 17 1 1 A 49 49 GLU CA C 49 59.500 59.201 0.299 1
1 416 . 17 1 1 A 49 49 GLU CB C 49 29.300 29.476 -0.176 1
1 418 . 17 1 1 A 49 49 GLU N N 49 117.600 119.132 -1.532 1
1 419 . 17 1 1 A 50 50 LEU H H 50 7.590 8.322 -0.732 1
1 420 . 17 1 1 A 50 50 LEU HA H 50 4.160 3.982 0.178 1
1 430 . 17 1 1 A 50 50 LEU CA C 50 58.000 57.914 0.086 1
1 431 . 17 1 1 A 50 50 LEU CB C 50 41.800 41.641 0.159 1
1 435 . 17 1 1 A 50 50 LEU N N 50 119.500 120.093 -0.593 1
1 436 . 17 1 1 A 51 51 ALA H H 51 8.620 8.706 -0.086 1
1 437 . 17 1 1 A 51 51 ALA HA H 51 4.210 3.854 0.356 1
1 441 . 17 1 1 A 51 51 ALA CA C 51 54.900 55.331 -0.431 1
1 442 . 17 1 1 A 51 51 ALA CB C 51 18.600 17.951 0.649 1
1 443 . 17 1 1 A 51 51 ALA N N 51 118.900 120.926 -2.026 1
1 444 . 17 1 1 A 52 52 ALA H H 52 8.410 7.673 0.737 1
1 445 . 17 1 1 A 52 52 ALA HA H 52 4.210 4.050 0.160 1
1 449 . 17 1 1 A 52 52 ALA CA C 52 55.100 55.446 -0.346 1
1 450 . 17 1 1 A 52 52 ALA CB C 52 18.400 18.325 0.075 1
1 451 . 17 1 1 A 52 52 ALA N N 52 119.400 120.914 -1.514 1
1 452 . 17 1 1 A 53 53 ARG H H 53 8.070 7.873 0.197 1
1 453 . 17 1 1 A 53 53 ARG HA H 53 4.130 4.109 0.021 1
1 460 . 17 1 1 A 53 53 ARG CA C 53 59.100 58.793 0.307 1
1 461 . 17 1 1 A 53 53 ARG CB C 53 30.900 29.927 0.973 1
1 464 . 17 1 1 A 53 53 ARG N N 53 119.500 118.806 0.694 1
1 465 . 17 1 1 A 54 54 TRP H H 54 9.270 8.537 0.733 1
1 466 . 17 1 1 A 54 54 TRP HA H 54 3.830 4.233 -0.403 1
1 475 . 17 1 1 A 54 54 TRP CA C 54 62.400 61.245 1.155 1
1 476 . 17 1 1 A 54 54 TRP CB C 54 29.200 29.101 0.099 1
1 482 . 17 1 1 A 54 54 TRP N N 54 124.000 122.150 1.850 1
1 484 . 17 1 1 A 55 55 ALA H H 55 8.810 8.178 0.632 1
1 485 . 17 1 1 A 55 55 ALA HA H 55 3.220 3.895 -0.675 1
1 489 . 17 1 1 A 55 55 ALA CA C 55 55.100 55.324 -0.224 1
1 490 . 17 1 1 A 55 55 ALA CB C 55 17.500 18.246 -0.746 1
1 491 . 17 1 1 A 55 55 ALA N N 55 120.800 121.694 -0.894 1
1 492 . 17 1 1 A 56 56 GLU H H 56 7.460 8.094 -0.634 1
1 493 . 17 1 1 A 56 56 GLU HA H 56 3.880 4.016 -0.136 1
1 498 . 17 1 1 A 56 56 GLU CA C 56 59.200 59.333 -0.133 1
1 499 . 17 1 1 A 56 56 GLU CB C 56 29.500 29.224 0.276 1
1 501 . 17 1 1 A 56 56 GLU N N 56 114.800 117.542 -2.742 1
1 502 . 17 1 1 A 57 57 GLY H H 57 7.650 8.290 -0.640 1
1 503 . 17 1 1 A 57 57 GLY HA2 H 57 3.490 3.714 -0.224 1
1 504 . 17 1 1 A 57 57 GLY HA3 H 57 3.850 3.778 0.072 1
1 505 . 17 1 1 A 57 57 GLY CA C 57 47.100 47.061 0.039 1
1 506 . 17 1 1 A 57 57 GLY N N 57 106.000 109.104 -3.104 1
1 507 . 17 1 1 A 58 58 ALA H H 58 8.950 7.962 0.988 1
1 508 . 17 1 1 A 58 58 ALA HA H 58 3.640 3.696 -0.056 1
1 512 . 17 1 1 A 58 58 ALA CA C 58 54.500 54.431 0.069 1
1 513 . 17 1 1 A 58 58 ALA CB C 58 16.700 18.403 -1.703 1
1 514 . 17 1 1 A 58 58 ALA N N 58 127.400 124.656 2.744 1
1 515 . 17 1 1 A 59 59 LEU H H 59 8.370 8.395 -0.025 1
1 516 . 17 1 1 A 59 59 LEU HA H 59 3.920 3.844 0.076 1
1 526 . 17 1 1 A 59 59 LEU CA C 59 57.300 57.746 -0.446 1
1 527 . 17 1 1 A 59 59 LEU CB C 59 40.800 41.276 -0.476 1
1 531 . 17 1 1 A 59 59 LEU N N 59 116.800 118.978 -2.178 1
1 532 . 17 1 1 A 60 60 GLU H H 60 7.310 7.946 -0.636 1
1 533 . 17 1 1 A 60 60 GLU HA H 60 4.030 3.941 0.089 1
1 538 . 17 1 1 A 60 60 GLU CA C 60 58.800 59.314 -0.514 1
1 539 . 17 1 1 A 60 60 GLU CB C 60 28.900 29.363 -0.463 1
1 541 . 17 1 1 A 60 60 GLU N N 60 119.000 120.643 -1.643 1
1 542 . 17 1 1 A 61 61 LEU H H 61 7.700 7.792 -0.092 1
1 543 . 17 1 1 A 61 61 LEU HA H 61 4.000 4.009 -0.009 1
1 553 . 17 1 1 A 61 61 LEU CA C 61 58.100 57.905 0.195 1
1 554 . 17 1 1 A 61 61 LEU CB C 61 41.400 41.657 -0.257 1
1 558 . 17 1 1 A 61 61 LEU N N 61 120.800 119.765 1.035 1
1 559 . 17 1 1 A 62 62 ILE H H 62 7.510 7.695 -0.185 1
1 560 . 17 1 1 A 62 62 ILE HA H 62 4.040 4.004 0.036 1
1 570 . 17 1 1 A 62 62 ILE CA C 62 63.200 63.388 -0.188 1
1 571 . 17 1 1 A 62 62 ILE CB C 62 37.200 37.523 -0.323 1
1 575 . 17 1 1 A 62 62 ILE N N 62 110.700 114.257 -3.557 1
1 576 . 17 1 1 A 63 63 LYS H H 63 7.520 7.571 -0.051 1
1 577 . 17 1 1 A 63 63 LYS HA H 63 4.070 4.005 0.065 1
1 586 . 17 1 1 A 63 63 LYS CA C 63 58.600 59.137 -0.537 1
1 587 . 17 1 1 A 63 63 LYS CB C 63 32.800 32.337 0.463 1
1 590 . 17 1 1 A 63 63 LYS N N 63 121.100 121.796 -0.696 1
1 591 . 17 1 1 A 64 64 VAL H H 64 7.630 7.524 0.106 1
1 592 . 17 1 1 A 64 64 VAL HA H 64 3.950 3.587 0.363 1
1 600 . 17 1 1 A 64 64 VAL CA C 64 63.900 66.026 -2.126 1
1 601 . 17 1 1 A 64 64 VAL CB C 64 32.400 32.089 0.311 1
1 604 . 17 1 1 A 64 64 VAL N N 64 115.200 119.656 -4.456 1
1 605 . 17 1 1 A 65 65 ARG H H 65 7.980 7.851 0.129 1
1 606 . 17 1 1 A 65 65 ARG HA H 65 4.390 4.605 -0.215 1
1 613 . 17 1 1 A 65 65 ARG CA C 65 55.200 54.287 0.913 1
1 614 . 17 1 1 A 65 65 ARG CB C 65 31.500 33.111 -1.611 1
1 617 . 17 1 1 A 65 65 ARG N N 65 118.300 119.116 -0.816 1
1 618 . 17 1 1 A 66 66 ARG HA H 66 4.340 4.571 -0.231 1
1 621 . 17 1 1 A 66 66 ARG CA C 66 54.900 54.108 0.792 1
1 622 . 17 1 1 A 66 66 ARG CB C 66 29.200 29.929 -0.729 1
1 629 . 17 1 1 A 68 68 LYS HA H 68 4.100 3.708 0.392 1
1 638 . 17 1 1 A 68 68 LYS CA C 68 57.900 56.867 1.033 1
1 639 . 17 1 1 A 68 68 LYS CB C 68 34.100 31.557 2.543 1
1 643 . 17 1 1 A 69 69 TYR HA H 69 4.760 4.087 0.673 1
1 650 . 17 1 1 A 69 69 TYR CA C 69 57.800 61.764 -3.964 1
1 651 . 17 1 1 A 69 69 TYR CB C 69 39.600 36.557 3.043 1
1 654 . 17 1 1 A 70 70 VAL H H 70 6.950 8.239 -1.289 1
1 655 . 17 1 1 A 70 70 VAL HA H 70 4.720 4.493 0.227 1
1 663 . 17 1 1 A 70 70 VAL CA C 70 60.000 61.036 -1.036 1
1 664 . 17 1 1 A 70 70 VAL CB C 70 34.500 33.172 1.328 1
1 667 . 17 1 1 A 70 70 VAL N N 70 115.400 120.155 -4.755 1
1 668 . 17 1 1 A 71 71 HIS H H 71 7.870 8.787 -0.917 1
1 669 . 17 1 1 A 71 71 HIS HA H 71 4.910 5.030 -0.120 1
1 673 . 17 1 1 A 71 71 HIS CA C 71 54.100 54.546 -0.446 1
1 674 . 17 1 1 A 71 71 HIS CB C 71 33.700 33.498 0.202 1
1 676 . 17 1 1 A 71 71 HIS N N 71 120.600 123.593 -2.993 1
1 677 . 17 1 1 A 72 72 LYS H H 72 8.400 9.009 -0.609 1
1 678 . 17 1 1 A 72 72 LYS HA H 72 3.680 3.952 -0.272 1
1 687 . 17 1 1 A 72 72 LYS CA C 72 60.600 59.091 1.509 1
1 688 . 17 1 1 A 72 72 LYS CB C 72 32.800 32.171 0.629 1
1 692 . 17 1 1 A 73 73 GLU H H 73 9.680 8.554 1.126 1
1 693 . 17 1 1 A 73 73 GLU HA H 73 4.170 4.027 0.143 1
1 698 . 17 1 1 A 73 73 GLU CA C 73 60.000 59.494 0.506 1
1 699 . 17 1 1 A 73 73 GLU CB C 73 28.300 29.246 -0.946 1
1 701 . 17 1 1 A 73 73 GLU N N 73 117.300 119.311 -2.011 1
1 702 . 17 1 1 A 74 74 GLN H H 74 7.360 7.648 -0.288 1
1 703 . 17 1 1 A 74 74 GLN HA H 74 4.180 4.089 0.091 1
1 710 . 17 1 1 A 74 74 GLN CA C 74 58.300 58.507 -0.207 1
1 711 . 17 1 1 A 74 74 GLN CB C 74 28.300 28.445 -0.145 1
1 713 . 17 1 1 A 74 74 GLN N N 74 117.700 119.192 -1.492 1
1 715 . 17 1 1 A 75 75 ILE H H 75 7.530 8.296 -0.766 1
1 716 . 17 1 1 A 75 75 ILE HA H 75 3.780 3.763 0.017 1
1 726 . 17 1 1 A 75 75 ILE CA C 75 64.100 65.804 -1.704 1
1 727 . 17 1 1 A 75 75 ILE CB C 75 36.800 37.836 -1.036 1
1 731 . 17 1 1 A 75 75 ILE N N 75 120.600 121.066 -0.466 1
1 732 . 17 1 1 A 76 76 GLU H H 76 8.340 8.323 0.017 1
1 733 . 17 1 1 A 76 76 GLU HA H 76 3.970 4.083 -0.113 1
1 738 . 17 1 1 A 76 76 GLU CA C 76 59.200 59.550 -0.350 1
1 739 . 17 1 1 A 76 76 GLU CB C 76 29.700 28.804 0.896 1
1 741 . 17 1 1 A 76 76 GLU N N 76 117.500 121.021 -3.521 1
1 742 . 17 1 1 A 77 77 ALA H H 77 7.390 7.607 -0.217 1
1 743 . 17 1 1 A 77 77 ALA HA H 77 4.370 4.105 0.265 1
1 747 . 17 1 1 A 77 77 ALA CA C 77 53.400 55.134 -1.734 1
1 748 . 17 1 1 A 77 77 ALA CB C 77 18.800 18.373 0.427 1
1 749 . 17 1 1 A 77 77 ALA N N 77 118.600 123.373 -4.773 1
1 750 . 17 1 1 A 78 78 VAL H H 78 7.620 8.434 -0.814 1
1 751 . 17 1 1 A 78 78 VAL HA H 78 3.720 3.478 0.242 1
1 759 . 17 1 1 A 78 78 VAL CA C 78 66.700 67.184 -0.484 1
1 760 . 17 1 1 A 78 78 VAL CB C 78 31.500 31.495 0.005 1
1 763 . 17 1 1 A 78 78 VAL N N 78 116.800 118.912 -2.112 1
1 764 . 17 1 1 A 79 79 LYS H H 79 8.570 8.144 0.426 1
1 765 . 17 1 1 A 79 79 LYS HA H 79 3.780 4.029 -0.249 1
1 774 . 17 1 1 A 79 79 LYS CA C 79 61.800 59.958 1.842 1
1 775 . 17 1 1 A 79 79 LYS CB C 79 31.500 32.404 -0.904 1
1 779 . 17 1 1 A 79 79 LYS N N 79 119.500 119.979 -0.479 1
1 780 . 17 1 1 A 80 80 ASP H H 80 8.350 7.634 0.716 1
1 781 . 17 1 1 A 80 80 ASP HA H 80 4.490 4.398 0.092 1
1 784 . 17 1 1 A 80 80 ASP CA C 80 57.300 57.279 0.021 1
1 785 . 17 1 1 A 80 80 ASP CB C 80 40.000 41.195 -1.195 1
1 786 . 17 1 1 A 80 80 ASP N N 80 115.500 119.650 -4.150 1
1 787 . 17 1 1 A 81 81 ASN H H 81 7.690 8.713 -1.023 1
1 788 . 17 1 1 A 81 81 ASN HA H 81 4.540 4.527 0.013 1
1 793 . 17 1 1 A 81 81 ASN CA C 81 55.500 56.159 -0.659 1
1 794 . 17 1 1 A 81 81 ASN CB C 81 38.600 38.098 0.502 1
1 795 . 17 1 1 A 81 81 ASN N N 81 118.300 116.931 1.369 1
1 797 . 17 1 1 A 82 82 PHE H H 82 9.620 8.575 1.045 1
1 798 . 17 1 1 A 82 82 PHE HA H 82 4.060 4.147 -0.087 1
1 806 . 17 1 1 A 82 82 PHE CA C 82 60.900 61.251 -0.351 1
1 807 . 17 1 1 A 82 82 PHE CB C 82 39.500 39.391 0.109 1
1 811 . 17 1 1 A 82 82 PHE N N 82 121.400 122.939 -1.539 1
1 812 . 17 1 1 A 83 83 LEU H H 83 8.210 8.612 -0.402 1
1 813 . 17 1 1 A 83 83 LEU HA H 83 3.900 3.848 0.052 1
1 823 . 17 1 1 A 83 83 LEU CA C 83 57.000 57.737 -0.737 1
1 824 . 17 1 1 A 83 83 LEU CB C 83 40.400 41.163 -0.763 1
1 828 . 17 1 1 A 83 83 LEU N N 83 117.400 119.274 -1.874 1
1 829 . 17 1 1 A 84 84 GLU H H 84 7.660 8.680 -1.020 1
1 830 . 17 1 1 A 84 84 GLU HA H 84 4.150 4.002 0.148 1
1 835 . 17 1 1 A 84 84 GLU CA C 84 59.500 59.374 0.126 1
1 836 . 17 1 1 A 84 84 GLU CB C 84 28.700 29.618 -0.918 1
1 838 . 17 1 1 A 84 84 GLU N N 84 121.500 120.560 0.940 1
1 839 . 17 1 1 A 85 85 LEU H H 85 8.100 8.349 -0.249 1
1 840 . 17 1 1 A 85 85 LEU HA H 85 3.600 4.007 -0.407 1
1 850 . 17 1 1 A 85 85 LEU CA C 85 59.300 58.319 0.981 1
1 851 . 17 1 1 A 85 85 LEU CB C 85 41.800 41.388 0.412 1
1 855 . 17 1 1 A 85 85 LEU N N 85 121.700 120.854 0.846 1
1 856 . 17 1 1 A 86 86 VAL H H 86 8.220 7.835 0.385 1
1 857 . 17 1 1 A 86 86 VAL HA H 86 3.100 3.456 -0.356 1
1 865 . 17 1 1 A 86 86 VAL CA C 86 67.200 66.853 0.347 1
1 866 . 17 1 1 A 86 86 VAL CB C 86 31.500 31.491 0.009 1
1 869 . 17 1 1 A 86 86 VAL N N 86 118.400 118.958 -0.558 1
1 870 . 17 1 1 A 87 87 LEU H H 87 8.450 8.284 0.166 1
1 871 . 17 1 1 A 87 87 LEU HA H 87 3.960 4.086 -0.126 1
1 881 . 17 1 1 A 87 87 LEU CA C 87 59.100 58.503 0.597 1
1 882 . 17 1 1 A 87 87 LEU CB C 87 42.300 41.534 0.766 1
1 886 . 17 1 1 A 87 87 LEU N N 87 120.200 120.123 0.077 1
1 887 . 17 1 1 A 88 88 GLN H H 88 9.350 8.964 0.386 1
1 888 . 17 1 1 A 88 88 GLN HA H 88 4.180 3.624 0.556 1
1 895 . 17 1 1 A 88 88 GLN CA C 88 57.300 57.957 -0.657 1
1 896 . 17 1 1 A 88 88 GLN CB C 88 25.400 27.154 -1.754 1
1 898 . 17 1 1 A 88 88 GLN N N 88 114.900 117.082 -2.182 1
1 900 . 17 1 1 A 89 89 SER H H 89 8.680 7.484 1.196 1
1 901 . 17 1 1 A 89 89 SER HA H 89 4.080 3.698 0.382 1
1 904 . 17 1 1 A 89 89 SER CA C 89 61.900 60.680 1.220 1
1 905 . 17 1 1 A 89 89 SER CB C 89 62.200 62.800 -0.600 1
1 906 . 17 1 1 A 89 89 SER N N 89 117.500 115.689 1.811 1
1 907 . 17 1 1 A 90 90 TYR H H 90 7.330 7.249 0.081 1
1 908 . 17 1 1 A 90 90 TYR HA H 90 4.320 4.045 0.275 1
1 915 . 17 1 1 A 90 90 TYR CA C 90 59.700 59.815 -0.115 1
1 916 . 17 1 1 A 90 90 TYR CB C 90 41.400 39.496 1.904 1
1 919 . 17 1 1 A 90 90 TYR N N 90 116.000 119.103 -3.103 1
1 920 . 17 1 1 A 91 91 VAL H H 91 7.730 7.657 0.073 1
1 921 . 17 1 1 A 91 91 VAL HA H 91 4.010 3.892 0.118 1
1 929 . 17 1 1 A 91 91 VAL CA C 91 62.600 63.972 -1.372 1
1 930 . 17 1 1 A 91 91 VAL CB C 91 32.700 32.323 0.377 1
1 933 . 17 1 1 A 91 91 VAL N N 91 110.500 114.816 -4.316 1
1 934 . 17 1 1 A 92 92 HIS H H 92 8.600 7.644 0.956 1
1 935 . 17 1 1 A 92 92 HIS HA H 92 4.280 4.116 0.164 1
1 939 . 17 1 1 A 92 92 HIS CA C 92 56.000 57.002 -1.002 1
1 940 . 17 1 1 A 92 92 HIS CB C 92 29.200 26.479 2.721 1
1 942 . 17 1 1 A 92 92 HIS N N 92 114.500 115.753 -1.253 1
1 943 . 17 1 1 A 93 93 HIS H H 93 8.350 8.013 0.337 1
1 944 . 17 1 1 A 93 93 HIS HA H 93 4.780 4.478 0.302 1
1 948 . 17 1 1 A 93 93 HIS CA C 93 57.600 55.983 1.617 1
1 949 . 17 1 1 A 93 93 HIS CB C 93 31.900 30.285 1.615 1
1 951 . 17 1 1 A 93 93 HIS N N 93 118.200 114.467 3.733 1
1 952 . 17 1 1 A 94 94 ILE H H 94 7.470 7.634 -0.164 1
1 953 . 17 1 1 A 94 94 ILE HA H 94 4.370 4.639 -0.269 1
1 963 . 17 1 1 A 94 94 ILE CA C 94 60.900 58.804 2.096 1
1 964 . 17 1 1 A 94 94 ILE CB C 94 39.600 42.344 -2.744 1
1 968 . 17 1 1 A 94 94 ILE N N 94 111.400 115.451 -4.051 1
1 969 . 17 1 1 A 95 95 HIS H H 95 6.990 8.603 -1.613 1
1 970 . 17 1 1 A 96 96 LYS HA H 96 4.040 4.523 -0.483 1
1 977 . 17 1 1 A 97 97 LYS HA H 97 4.130 3.940 0.190 1
1 986 . 17 1 1 A 97 97 LYS CA C 97 59.400 60.271 -0.871 1
1 987 . 17 1 1 A 97 97 LYS CB C 97 32.000 32.201 -0.201 1
1 991 . 17 1 1 A 98 98 ARG H H 98 7.150 7.913 -0.763 1
1 992 . 17 1 1 A 98 98 ARG HA H 98 4.150 4.064 0.086 1
1 999 . 17 1 1 A 98 98 ARG CA C 98 57.900 59.785 -1.885 1
1 1000 . 17 1 1 A 98 98 ARG CB C 98 28.600 29.899 -1.299 1
1 1003 . 17 1 1 A 98 98 ARG N N 98 118.500 119.391 -0.891 1
1 1004 . 17 1 1 A 99 99 PHE H H 99 8.260 8.138 0.122 1
1 1005 . 17 1 1 A 99 99 PHE HA H 99 3.450 4.145 -0.695 1
1 1013 . 17 1 1 A 99 99 PHE CA C 99 62.700 61.531 1.169 1
1 1014 . 17 1 1 A 99 99 PHE CB C 99 39.200 39.320 -0.120 1
1 1018 . 17 1 1 A 99 99 PHE N N 99 119.100 120.539 -1.439 1
1 1019 . 17 1 1 A 100 100 LYS H H 100 8.500 8.503 -0.003 1
1 1020 . 17 1 1 A 100 100 LYS HA H 100 3.980 3.881 0.099 1
1 1029 . 17 1 1 A 100 100 LYS CA C 100 59.300 60.077 -0.777 1
1 1030 . 17 1 1 A 100 100 LYS CB C 100 31.900 32.203 -0.303 1
1 1034 . 17 1 1 A 100 100 LYS N N 100 121.700 118.833 2.867 1
1 1035 . 17 1 1 A 101 101 ASP H H 101 8.150 8.081 0.069 1
1 1036 . 17 1 1 A 101 101 ASP HA H 101 4.290 4.392 -0.102 1
1 1039 . 17 1 1 A 101 101 ASP CA C 101 57.300 57.853 -0.553 1
1 1040 . 17 1 1 A 101 101 ASP CB C 101 39.900 41.577 -1.677 1
1 1041 . 17 1 1 A 101 101 ASP N N 101 119.800 119.382 0.418 1
1 1042 . 17 1 1 A 102 102 ILE H H 102 8.220 8.192 0.028 1
1 1043 . 17 1 1 A 102 102 ILE HA H 102 3.690 3.553 0.137 1
1 1053 . 17 1 1 A 102 102 ILE CA C 102 65.000 64.990 0.010 1
1 1054 . 17 1 1 A 102 102 ILE CB C 102 37.700 37.502 0.198 1
1 1058 . 17 1 1 A 102 102 ILE N N 102 118.800 119.009 -0.209 1
1 1059 . 17 1 1 A 103 103 THR H H 103 7.930 8.026 -0.096 1
1 1060 . 17 1 1 A 103 103 THR HA H 103 3.480 3.661 -0.181 1
1 1066 . 17 1 1 A 103 103 THR CA C 103 67.300 66.854 0.446 1
1 1067 . 17 1 1 A 103 103 THR CB C 103 67.700 68.018 -0.318 1
1 1069 . 17 1 1 A 103 103 THR N N 103 117.900 116.624 1.276 1
1 1070 . 17 1 1 A 104 104 GLU H H 104 8.470 8.370 0.100 1
1 1071 . 17 1 1 A 104 104 GLU HA H 104 3.920 3.960 -0.040 1
1 1076 . 17 1 1 A 104 104 GLU CA C 104 59.500 59.375 0.125 1
1 1077 . 17 1 1 A 104 104 GLU CB C 104 29.200 29.155 0.045 1
1 1079 . 17 1 1 A 104 104 GLU N N 104 118.900 122.200 -3.300 1
1 1080 . 17 1 1 A 105 105 SER H H 105 7.840 8.398 -0.558 1
1 1081 . 17 1 1 A 105 105 SER HA H 105 4.290 4.186 0.104 1
1 1084 . 17 1 1 A 105 105 SER CA C 105 60.900 62.733 -1.833 1
1 1085 . 17 1 1 A 105 105 SER CB C 105 62.700 63.024 -0.324 1
1 1086 . 17 1 1 A 105 105 SER N N 105 114.200 117.304 -3.104 1
1 1087 . 17 1 1 A 106 106 VAL H H 106 8.290 8.190 0.100 1
1 1088 . 17 1 1 A 106 106 VAL HA H 106 3.690 3.621 0.069 1
1 1096 . 17 1 1 A 106 106 VAL CA C 106 66.300 66.846 -0.546 1
1 1097 . 17 1 1 A 106 106 VAL CB C 106 31.900 31.712 0.188 1
1 1100 . 17 1 1 A 106 106 VAL N N 106 122.100 122.086 0.014 1
1 1101 . 17 1 1 A 107 107 LEU H H 107 8.560 8.463 0.097 1
1 1102 . 17 1 1 A 107 107 LEU HA H 107 3.900 3.779 0.121 1
1 1112 . 17 1 1 A 107 107 LEU CA C 107 58.300 58.316 -0.016 1
1 1113 . 17 1 1 A 107 107 LEU CB C 107 41.200 42.155 -0.955 1
1 1117 . 17 1 1 A 107 107 LEU N N 107 117.500 118.402 -0.902 1
1 1118 . 17 1 1 A 108 108 TYR H H 108 8.450 8.840 -0.390 1
1 1119 . 17 1 1 A 108 108 TYR HA H 108 4.170 3.906 0.264 1
1 1126 . 17 1 1 A 108 108 TYR CA C 108 61.800 61.735 0.065 1
1 1127 . 17 1 1 A 108 108 TYR CB C 108 37.900 38.492 -0.592 1
1 1130 . 17 1 1 A 108 108 TYR N N 108 119.000 119.240 -0.240 1
1 1131 . 17 1 1 A 109 109 THR H H 109 7.800 8.025 -0.225 1
1 1132 . 17 1 1 A 109 109 THR HA H 109 3.860 4.023 -0.163 1
1 1137 . 17 1 1 A 109 109 THR CA C 109 66.800 67.350 -0.550 1
1 1138 . 17 1 1 A 109 109 THR CB C 109 67.800 67.831 -0.031 1
1 1140 . 17 1 1 A 109 109 THR N N 109 116.500 115.721 0.779 1
1 1141 . 17 1 1 A 110 110 LEU H H 110 8.510 8.496 0.014 1
1 1142 . 17 1 1 A 110 110 LEU HA H 110 3.900 4.076 -0.176 1
1 1152 . 17 1 1 A 110 110 LEU CA C 110 58.500 57.988 0.512 1
1 1153 . 17 1 1 A 110 110 LEU CB C 110 41.300 41.383 -0.083 1
1 1157 . 17 1 1 A 110 110 LEU N N 110 121.000 120.901 0.099 1
1 1158 . 17 1 1 A 111 111 HIS H H 111 8.440 8.820 -0.380 1
1 1159 . 17 1 1 A 111 111 HIS HA H 111 4.000 4.234 -0.234 1
1 1163 . 17 1 1 A 111 111 HIS CA C 111 60.900 60.106 0.794 1
1 1164 . 17 1 1 A 111 111 HIS CB C 111 29.700 28.990 0.710 1
1 1166 . 17 1 1 A 111 111 HIS N N 111 116.300 117.681 -1.381 1
1 1167 . 17 1 1 A 112 112 ALA H H 112 7.920 7.788 0.132 1
1 1168 . 17 1 1 A 112 112 ALA HA H 112 4.130 3.555 0.575 1
1 1172 . 17 1 1 A 112 112 ALA CA C 112 55.000 54.958 0.042 1
1 1173 . 17 1 1 A 112 112 ALA CB C 112 17.600 18.121 -0.521 1
1 1174 . 17 1 1 A 112 112 ALA N N 112 122.900 121.886 1.014 1
1 1175 . 17 1 1 A 113 113 VAL H H 113 8.300 7.891 0.409 1
1 1176 . 17 1 1 A 113 113 VAL HA H 113 3.540 3.561 -0.021 1
1 1184 . 17 1 1 A 113 113 VAL CA C 113 67.200 66.861 0.339 1
1 1185 . 17 1 1 A 113 113 VAL CB C 113 31.000 31.694 -0.694 1
1 1188 . 17 1 1 A 113 113 VAL N N 113 119.000 118.997 0.003 1
1 1189 . 17 1 1 A 114 114 LYS H H 114 8.220 8.446 -0.226 1
1 1190 . 17 1 1 A 114 114 LYS HA H 114 3.810 3.965 -0.155 1
1 1199 . 17 1 1 A 114 114 LYS CA C 114 60.800 59.229 1.571 1
1 1200 . 17 1 1 A 114 114 LYS CB C 114 31.500 32.071 -0.571 1
1 1204 . 17 1 1 A 114 114 LYS N N 114 120.600 120.402 0.198 1
1 1205 . 17 1 1 A 115 115 ASP H H 115 8.180 8.170 0.010 1
1 1206 . 17 1 1 A 115 115 ASP HA H 115 4.300 4.269 0.031 1
1 1209 . 17 1 1 A 115 115 ASP CA C 115 56.800 57.656 -0.856 1
1 1210 . 17 1 1 A 115 115 ASP CB C 115 39.600 41.693 -2.093 1
1 1211 . 17 1 1 A 115 115 ASP N N 115 118.800 118.558 0.242 1
1 1212 . 17 1 1 A 116 116 GLU H H 116 7.990 7.741 0.249 1
1 1213 . 17 1 1 A 116 116 GLU HA H 116 4.060 4.128 -0.068 1
1 1218 . 17 1 1 A 116 116 GLU CA C 116 58.400 59.229 -0.829 1
1 1219 . 17 1 1 A 116 116 GLU CB C 116 29.000 29.523 -0.523 1
1 1221 . 17 1 1 A 116 116 GLU N N 116 120.800 117.964 2.836 1
1 1222 . 17 1 1 A 117 117 ILE H H 117 8.370 7.977 0.393 1
1 1223 . 17 1 1 A 117 117 ILE HA H 117 3.610 3.684 -0.074 1
1 1233 . 17 1 1 A 117 117 ILE CA C 117 64.800 65.674 -0.874 1
1 1234 . 17 1 1 A 117 117 ILE CB C 117 38.600 38.099 0.501 1
1 1238 . 17 1 1 A 117 117 ILE N N 117 119.700 121.627 -1.927 1
1 1239 . 17 1 1 A 118 118 ALA H H 118 7.720 7.910 -0.190 1
1 1240 . 17 1 1 A 118 118 ALA HA H 118 4.250 4.217 0.033 1
1 1244 . 17 1 1 A 118 118 ALA CA C 118 52.900 53.430 -0.530 1
1 1245 . 17 1 1 A 118 118 ALA CB C 118 18.700 18.594 0.106 1
1 1246 . 17 1 1 A 118 118 ALA N N 118 119.900 121.813 -1.913 1
1 1247 . 17 1 1 A 119 119 ARG H H 119 7.450 7.728 -0.278 1
1 1248 . 17 1 1 A 119 119 ARG HA H 119 4.110 4.187 -0.077 1
1 1255 . 17 1 1 A 119 119 ARG CA C 119 57.600 58.520 -0.920 1
1 1256 . 17 1 1 A 119 119 ARG CB C 119 31.000 29.960 1.040 1
1 1259 . 17 1 1 A 119 119 ARG N N 119 118.400 118.504 -0.104 1
1 1260 . 17 1 1 A 120 120 GLU H H 120 8.890 7.835 1.055 1
1 1261 . 17 1 1 A 120 120 GLU HA H 120 4.280 4.255 0.025 1
1 1266 . 17 1 1 A 120 120 GLU CA C 120 57.600 59.088 -1.488 1
1 1267 . 17 1 1 A 120 120 GLU CB C 120 30.100 29.472 0.628 1
1 1269 . 17 1 1 A 120 120 GLU N N 120 114.900 117.597 -2.697 1
1 1 . 18 1 1 A 6 6 LEU HA H 6 4.230 4.159 0.071 1
1 11 . 18 1 1 A 6 6 LEU CA C 6 58.000 57.498 0.502 1
1 12 . 18 1 1 A 6 6 LEU CB C 6 40.900 41.318 -0.418 1
1 16 . 18 1 1 A 7 7 LEU H H 7 8.970 7.899 1.071 1
1 17 . 18 1 1 A 7 7 LEU HA H 7 3.970 4.078 -0.108 1
1 27 . 18 1 1 A 7 7 LEU CA C 7 58.500 58.411 0.089 1
1 28 . 18 1 1 A 7 7 LEU CB C 7 41.000 41.822 -0.822 1
1 32 . 18 1 1 A 7 7 LEU N N 7 124.300 120.231 4.069 1
1 33 . 18 1 1 A 8 8 GLU H H 8 7.910 8.438 -0.528 1
1 34 . 18 1 1 A 8 8 GLU HA H 8 4.040 3.947 0.093 1
1 39 . 18 1 1 A 8 8 GLU CA C 8 59.500 59.634 -0.134 1
1 40 . 18 1 1 A 8 8 GLU CB C 8 29.200 28.952 0.248 1
1 42 . 18 1 1 A 8 8 GLU N N 8 119.000 118.940 0.060 1
1 43 . 18 1 1 A 9 9 MET H H 9 8.520 7.869 0.651 1
1 44 . 18 1 1 A 9 9 MET HA H 9 4.030 4.204 -0.174 1
1 52 . 18 1 1 A 9 9 MET CA C 9 59.900 58.163 1.737 1
1 53 . 18 1 1 A 9 9 MET CB C 9 36.000 32.884 3.116 1
1 56 . 18 1 1 A 9 9 MET N N 9 117.500 118.858 -1.358 1
1 57 . 18 1 1 A 10 10 THR H H 10 8.470 8.206 0.264 1
1 58 . 18 1 1 A 10 10 THR HA H 10 3.550 3.734 -0.184 1
1 64 . 18 1 1 A 10 10 THR CA C 10 67.200 67.454 -0.254 1
1 65 . 18 1 1 A 10 10 THR CB C 10 68.500 68.613 -0.113 1
1 67 . 18 1 1 A 10 10 THR N N 10 116.600 115.222 1.378 1
1 68 . 18 1 1 A 11 11 GLU H H 11 8.500 9.016 -0.516 1
1 69 . 18 1 1 A 11 11 GLU HA H 11 3.910 3.895 0.015 1
1 74 . 18 1 1 A 11 11 GLU CA C 11 59.400 59.933 -0.533 1
1 75 . 18 1 1 A 11 11 GLU CB C 11 29.200 29.227 -0.027 1
1 77 . 18 1 1 A 11 11 GLU N N 11 119.400 119.481 -0.081 1
1 78 . 18 1 1 A 12 12 GLN H H 12 8.140 8.185 -0.045 1
1 79 . 18 1 1 A 12 12 GLN HA H 12 4.100 4.074 0.026 1
1 86 . 18 1 1 A 12 12 GLN CA C 12 59.000 58.704 0.296 1
1 87 . 18 1 1 A 12 12 GLN CB C 12 27.800 28.581 -0.781 1
1 89 . 18 1 1 A 12 12 GLN N N 12 120.400 119.854 0.546 1
1 91 . 18 1 1 A 13 13 MET H H 13 8.120 8.039 0.081 1
1 92 . 18 1 1 A 13 13 MET HA H 13 3.710 4.198 -0.488 1
1 100 . 18 1 1 A 13 13 MET CA C 13 59.600 58.698 0.902 1
1 101 . 18 1 1 A 13 13 MET CB C 13 33.300 31.835 1.465 1
1 104 . 18 1 1 A 13 13 MET N N 13 118.500 117.732 0.768 1
1 105 . 18 1 1 A 14 14 ILE H H 14 8.040 8.333 -0.293 1
1 106 . 18 1 1 A 14 14 ILE HA H 14 3.270 3.544 -0.274 1
1 116 . 18 1 1 A 14 14 ILE CA C 14 65.700 65.046 0.654 1
1 117 . 18 1 1 A 14 14 ILE CB C 14 38.000 37.711 0.289 1
1 121 . 18 1 1 A 14 14 ILE N N 14 119.400 119.663 -0.263 1
1 122 . 18 1 1 A 15 15 GLU H H 15 7.700 8.137 -0.437 1
1 123 . 18 1 1 A 15 15 GLU HA H 15 4.110 4.006 0.104 1
1 128 . 18 1 1 A 15 15 GLU CA C 15 59.300 59.343 -0.043 1
1 129 . 18 1 1 A 15 15 GLU CB C 15 29.200 29.477 -0.277 1
1 131 . 18 1 1 A 15 15 GLU N N 15 119.000 121.303 -2.303 1
1 132 . 18 1 1 A 16 16 VAL H H 16 8.410 8.322 0.088 1
1 133 . 18 1 1 A 16 16 VAL HA H 16 3.530 3.631 -0.101 1
1 141 . 18 1 1 A 16 16 VAL CA C 16 66.600 66.376 0.224 1
1 142 . 18 1 1 A 16 16 VAL CB C 16 31.900 31.581 0.319 1
1 145 . 18 1 1 A 16 16 VAL N N 16 119.500 120.665 -1.165 1
1 146 . 18 1 1 A 17 17 ALA H H 17 8.600 8.150 0.450 1
1 147 . 18 1 1 A 17 17 ALA HA H 17 4.080 3.974 0.106 1
1 151 . 18 1 1 A 17 17 ALA CA C 17 54.700 55.737 -1.037 1
1 152 . 18 1 1 A 17 17 ALA CB C 17 17.700 18.065 -0.365 1
1 153 . 18 1 1 A 17 17 ALA N N 17 123.100 121.989 1.111 1
1 154 . 18 1 1 A 18 18 GLU H H 18 8.850 8.305 0.545 1
1 155 . 18 1 1 A 18 18 GLU HA H 18 3.990 3.964 0.026 1
1 160 . 18 1 1 A 18 18 GLU CA C 18 59.500 59.576 -0.076 1
1 161 . 18 1 1 A 18 18 GLU CB C 18 29.700 29.140 0.560 1
1 163 . 18 1 1 A 18 18 GLU N N 18 117.900 118.077 -0.177 1
1 164 . 18 1 1 A 19 19 LYS H H 19 8.750 8.084 0.666 1
1 165 . 18 1 1 A 19 19 LYS HA H 19 4.150 4.067 0.083 1
1 174 . 18 1 1 A 19 19 LYS CA C 19 58.700 59.283 -0.583 1
1 175 . 18 1 1 A 19 19 LYS CB C 19 31.900 32.130 -0.230 1
1 179 . 18 1 1 A 19 19 LYS N N 19 119.200 119.166 0.034 1
1 180 . 18 1 1 A 20 20 GLY H H 20 8.640 8.787 -0.147 1
1 181 . 18 1 1 A 20 20 GLY HA2 H 20 3.790 3.898 -0.108 1
1 182 . 18 1 1 A 20 20 GLY HA3 H 20 3.500 3.925 -0.425 1
1 183 . 18 1 1 A 20 20 GLY CA C 20 46.400 47.184 -0.784 1
1 184 . 18 1 1 A 20 20 GLY N N 20 110.300 108.355 1.945 1
1 185 . 18 1 1 A 21 21 ALA H H 21 8.550 8.103 0.447 1
1 186 . 18 1 1 A 21 21 ALA HA H 21 4.490 4.373 0.117 1
1 190 . 18 1 1 A 21 21 ALA CA C 21 55.100 54.774 0.326 1
1 191 . 18 1 1 A 21 21 ALA CB C 21 17.300 18.839 -1.539 1
1 192 . 18 1 1 A 21 21 ALA N N 21 125.300 124.955 0.345 1
1 193 . 18 1 1 A 22 22 ASP H H 22 7.660 8.497 -0.837 1
1 194 . 18 1 1 A 22 22 ASP HA H 22 4.460 4.377 0.083 1
1 197 . 18 1 1 A 22 22 ASP CA C 22 56.900 57.767 -0.867 1
1 198 . 18 1 1 A 22 22 ASP CB C 22 40.500 42.352 -1.852 1
1 199 . 18 1 1 A 22 22 ASP N N 22 119.000 118.311 0.689 1
1 200 . 18 1 1 A 23 23 ARG H H 23 8.110 8.456 -0.346 1
1 201 . 18 1 1 A 23 23 ARG HA H 23 4.000 3.992 0.008 1
1 208 . 18 1 1 A 23 23 ARG CA C 23 59.200 59.149 0.051 1
1 209 . 18 1 1 A 23 23 ARG CB C 23 30.700 29.729 0.971 1
1 212 . 18 1 1 A 23 23 ARG N N 23 121.800 120.277 1.523 1
1 213 . 18 1 1 A 24 24 TYR H H 24 8.460 8.248 0.212 1
1 214 . 18 1 1 A 24 24 TYR HA H 24 3.780 3.875 -0.095 1
1 221 . 18 1 1 A 24 24 TYR CA C 24 60.900 61.060 -0.160 1
1 222 . 18 1 1 A 24 24 TYR CB C 24 39.400 37.866 1.534 1
1 225 . 18 1 1 A 24 24 TYR N N 24 120.400 120.713 -0.313 1
1 226 . 18 1 1 A 25 25 GLN H H 25 7.540 8.685 -1.145 1
1 227 . 18 1 1 A 25 25 GLN HA H 25 3.750 3.871 -0.121 1
1 232 . 18 1 1 A 25 25 GLN CA C 25 57.800 58.726 -0.926 1
1 233 . 18 1 1 A 25 25 GLN CB C 25 28.400 28.433 -0.033 1
1 235 . 18 1 1 A 25 25 GLN N N 25 117.500 118.309 -0.809 1
1 236 . 18 1 1 A 26 26 GLU H H 26 7.980 7.952 0.028 1
1 237 . 18 1 1 A 26 26 GLU HA H 26 4.010 4.189 -0.179 1
1 242 . 18 1 1 A 26 26 GLU CA C 26 57.900 57.996 -0.096 1
1 243 . 18 1 1 A 26 26 GLU CB C 26 29.700 30.258 -0.558 1
1 245 . 18 1 1 A 26 26 GLU N N 26 117.900 118.401 -0.501 1
1 246 . 18 1 1 A 32 32 HIS HA H 32 4.620 4.874 -0.254 1
1 249 . 18 1 1 A 32 32 HIS CA C 32 56.900 56.492 0.408 1
1 250 . 18 1 1 A 32 32 HIS CB C 32 64.000 32.563 31.437 1
1 251 . 18 1 1 A 33 33 SER HA H 33 4.610 4.272 0.338 1
1 254 . 18 1 1 A 33 33 SER CA C 33 56.900 59.129 -2.229 1
1 255 . 18 1 1 A 33 33 SER CB C 33 64.000 63.693 0.307 1
1 256 . 18 1 1 A 34 34 TYR HA H 34 4.630 5.706 -1.076 1
1 263 . 18 1 1 A 34 34 TYR CA C 34 56.900 55.301 1.599 1
1 264 . 18 1 1 A 34 34 TYR CB C 34 40.700 42.065 -1.365 1
1 267 . 18 1 1 A 36 36 PHE HA H 36 3.910 4.820 -0.910 1
1 275 . 18 1 1 A 36 36 PHE CA C 36 62.000 58.213 3.787 1
1 276 . 18 1 1 A 36 36 PHE CB C 36 39.200 41.450 -2.250 1
1 280 . 18 1 1 A 37 37 PHE H H 37 8.090 7.901 0.189 1
1 281 . 18 1 1 A 37 37 PHE HA H 37 3.980 4.323 -0.343 1
1 289 . 18 1 1 A 37 37 PHE CA C 37 61.600 58.508 3.092 1
1 290 . 18 1 1 A 37 37 PHE CB C 37 38.600 39.067 -0.467 1
1 294 . 18 1 1 A 37 37 PHE N N 37 116.200 122.697 -6.497 1
1 295 . 18 1 1 A 38 38 GLU H H 38 9.000 8.613 0.387 1
1 296 . 18 1 1 A 38 38 GLU HA H 38 4.130 4.043 0.087 1
1 301 . 18 1 1 A 38 38 GLU CA C 38 57.700 58.998 -1.298 1
1 302 . 18 1 1 A 38 38 GLU CB C 38 30.600 29.236 1.364 1
1 304 . 18 1 1 A 38 38 GLU N N 38 116.000 120.536 -4.536 1
1 305 . 18 1 1 A 39 39 THR H H 39 7.390 8.079 -0.689 1
1 306 . 18 1 1 A 39 39 THR HA H 39 4.280 4.402 -0.122 1
1 311 . 18 1 1 A 39 39 THR CA C 39 64.100 62.709 1.391 1
1 312 . 18 1 1 A 39 39 THR CB C 39 70.000 70.812 -0.812 1
1 314 . 18 1 1 A 39 39 THR N N 39 110.400 113.570 -3.170 1
1 315 . 18 1 1 A 40 40 ILE H H 40 7.250 7.349 -0.099 1
1 316 . 18 1 1 A 40 40 ILE HA H 40 2.570 3.869 -1.299 1
1 326 . 18 1 1 A 40 40 ILE CA C 40 65.800 60.633 5.167 1
1 327 . 18 1 1 A 40 40 ILE CB C 40 37.300 34.793 2.507 1
1 331 . 18 1 1 A 40 40 ILE N N 40 120.900 119.461 1.439 1
1 332 . 18 1 1 A 41 41 LYS H H 41 8.400 8.013 0.387 1
1 333 . 18 1 1 A 41 41 LYS HA H 41 3.650 4.320 -0.670 1
1 336 . 18 1 1 A 41 41 LYS CA C 41 59.000 57.426 1.574 1
1 337 . 18 1 1 A 41 41 LYS CB C 41 29.700 34.299 -4.599 1
1 338 . 18 1 1 A 41 41 LYS N N 41 118.800 125.834 -7.034 1
1 339 . 18 1 1 A 42 42 PRO HA H 42 4.280 4.240 0.040 1
1 346 . 18 1 1 A 42 42 PRO CA C 42 65.300 66.358 -1.058 1
1 347 . 18 1 1 A 42 42 PRO CB C 42 30.200 30.809 -0.609 1
1 350 . 18 1 1 A 43 43 ALA H H 43 6.790 7.610 -0.820 1
1 351 . 18 1 1 A 43 43 ALA HA H 43 4.190 4.028 0.162 1
1 355 . 18 1 1 A 43 43 ALA CA C 43 54.900 55.100 -0.200 1
1 356 . 18 1 1 A 43 43 ALA CB C 43 18.000 18.412 -0.412 1
1 357 . 18 1 1 A 43 43 ALA N N 43 119.500 118.810 0.690 1
1 358 . 18 1 1 A 44 44 VAL H H 44 8.380 7.611 0.769 1
1 359 . 18 1 1 A 44 44 VAL HA H 44 3.460 3.377 0.083 1
1 367 . 18 1 1 A 44 44 VAL CA C 44 67.200 66.737 0.463 1
1 368 . 18 1 1 A 44 44 VAL CB C 44 31.500 31.419 0.081 1
1 371 . 18 1 1 A 44 44 VAL N N 44 120.500 117.650 2.850 1
1 372 . 18 1 1 A 45 45 GLU H H 45 8.410 8.700 -0.290 1
1 373 . 18 1 1 A 45 45 GLU HA H 45 4.060 3.931 0.129 1
1 378 . 18 1 1 A 45 45 GLU CA C 45 59.600 59.832 -0.232 1
1 379 . 18 1 1 A 45 45 GLU CB C 45 29.300 29.610 -0.310 1
1 381 . 18 1 1 A 45 45 GLU N N 45 118.400 118.563 -0.163 1
1 382 . 18 1 1 A 46 46 GLU H H 46 8.390 8.602 -0.212 1
1 383 . 18 1 1 A 46 46 GLU HA H 46 4.200 4.074 0.126 1
1 388 . 18 1 1 A 46 46 GLU CA C 46 58.900 58.943 -0.043 1
1 389 . 18 1 1 A 46 46 GLU CB C 46 29.300 29.140 0.160 1
1 391 . 18 1 1 A 46 46 GLU N N 46 118.800 120.591 -1.791 1
1 392 . 18 1 1 A 47 47 ASN H H 47 7.700 8.410 -0.710 1
1 393 . 18 1 1 A 47 47 ASN HA H 47 4.900 4.710 0.190 1
1 398 . 18 1 1 A 47 47 ASN CA C 47 57.100 55.866 1.234 1
1 399 . 18 1 1 A 47 47 ASN CB C 47 39.000 38.076 0.924 1
1 400 . 18 1 1 A 47 47 ASN N N 47 118.000 118.815 -0.815 1
1 402 . 18 1 1 A 48 48 ASP H H 48 8.810 8.656 0.154 1
1 403 . 18 1 1 A 48 48 ASP HA H 48 4.520 4.396 0.124 1
1 406 . 18 1 1 A 48 48 ASP CA C 48 57.800 57.679 0.121 1
1 407 . 18 1 1 A 48 48 ASP CB C 48 41.700 41.645 0.055 1
1 408 . 18 1 1 A 48 48 ASP N N 48 124.000 119.536 4.464 1
1 409 . 18 1 1 A 49 49 GLU H H 49 7.310 8.276 -0.966 1
1 410 . 18 1 1 A 49 49 GLU HA H 49 4.070 4.110 -0.040 1
1 415 . 18 1 1 A 49 49 GLU CA C 49 59.500 59.243 0.257 1
1 416 . 18 1 1 A 49 49 GLU CB C 49 29.300 29.784 -0.484 1
1 418 . 18 1 1 A 49 49 GLU N N 49 117.600 118.513 -0.913 1
1 419 . 18 1 1 A 50 50 LEU H H 50 7.590 8.402 -0.812 1
1 420 . 18 1 1 A 50 50 LEU HA H 50 4.160 4.193 -0.033 1
1 430 . 18 1 1 A 50 50 LEU CA C 50 58.000 58.090 -0.090 1
1 431 . 18 1 1 A 50 50 LEU CB C 50 41.800 41.742 0.058 1
1 435 . 18 1 1 A 50 50 LEU N N 50 119.500 121.896 -2.396 1
1 436 . 18 1 1 A 51 51 ALA H H 51 8.620 8.875 -0.255 1
1 437 . 18 1 1 A 51 51 ALA HA H 51 4.210 3.931 0.279 1
1 441 . 18 1 1 A 51 51 ALA CA C 51 54.900 55.113 -0.213 1
1 442 . 18 1 1 A 51 51 ALA CB C 51 18.600 18.008 0.592 1
1 443 . 18 1 1 A 51 51 ALA N N 51 118.900 120.850 -1.950 1
1 444 . 18 1 1 A 52 52 ALA H H 52 8.410 8.238 0.172 1
1 445 . 18 1 1 A 52 52 ALA HA H 52 4.210 4.078 0.132 1
1 449 . 18 1 1 A 52 52 ALA CA C 52 55.100 55.238 -0.138 1
1 450 . 18 1 1 A 52 52 ALA CB C 52 18.400 18.381 0.019 1
1 451 . 18 1 1 A 52 52 ALA N N 52 119.400 120.748 -1.348 1
1 452 . 18 1 1 A 53 53 ARG H H 53 8.070 7.957 0.113 1
1 453 . 18 1 1 A 53 53 ARG HA H 53 4.130 4.096 0.034 1
1 460 . 18 1 1 A 53 53 ARG CA C 53 59.100 58.486 0.614 1
1 461 . 18 1 1 A 53 53 ARG CB C 53 30.900 29.852 1.048 1
1 464 . 18 1 1 A 53 53 ARG N N 53 119.500 118.289 1.211 1
1 465 . 18 1 1 A 54 54 TRP H H 54 9.270 8.412 0.858 1
1 466 . 18 1 1 A 54 54 TRP HA H 54 3.830 4.211 -0.381 1
1 475 . 18 1 1 A 54 54 TRP CA C 54 62.400 61.343 1.057 1
1 476 . 18 1 1 A 54 54 TRP CB C 54 29.200 29.184 0.016 1
1 482 . 18 1 1 A 54 54 TRP N N 54 124.000 122.419 1.581 1
1 484 . 18 1 1 A 55 55 ALA H H 55 8.810 8.827 -0.017 1
1 485 . 18 1 1 A 55 55 ALA HA H 55 3.220 3.846 -0.626 1
1 489 . 18 1 1 A 55 55 ALA CA C 55 55.100 55.315 -0.215 1
1 490 . 18 1 1 A 55 55 ALA CB C 55 17.500 18.066 -0.566 1
1 491 . 18 1 1 A 55 55 ALA N N 55 120.800 121.392 -0.592 1
1 492 . 18 1 1 A 56 56 GLU H H 56 7.460 7.797 -0.337 1
1 493 . 18 1 1 A 56 56 GLU HA H 56 3.880 3.852 0.028 1
1 498 . 18 1 1 A 56 56 GLU CA C 56 59.200 59.093 0.107 1
1 499 . 18 1 1 A 56 56 GLU CB C 56 29.500 29.277 0.223 1
1 501 . 18 1 1 A 56 56 GLU N N 56 114.800 118.813 -4.013 1
1 502 . 18 1 1 A 57 57 GLY H H 57 7.650 8.337 -0.687 1
1 503 . 18 1 1 A 57 57 GLY HA2 H 57 3.490 3.735 -0.245 1
1 504 . 18 1 1 A 57 57 GLY HA3 H 57 3.850 3.788 0.062 1
1 505 . 18 1 1 A 57 57 GLY CA C 57 47.100 47.025 0.075 1
1 506 . 18 1 1 A 57 57 GLY N N 57 106.000 108.779 -2.779 1
1 507 . 18 1 1 A 58 58 ALA H H 58 8.950 8.043 0.907 1
1 508 . 18 1 1 A 58 58 ALA HA H 58 3.640 3.679 -0.039 1
1 512 . 18 1 1 A 58 58 ALA CA C 58 54.500 54.668 -0.168 1
1 513 . 18 1 1 A 58 58 ALA CB C 58 16.700 18.900 -2.200 1
1 514 . 18 1 1 A 58 58 ALA N N 58 127.400 124.810 2.590 1
1 515 . 18 1 1 A 59 59 LEU H H 59 8.370 8.555 -0.185 1
1 516 . 18 1 1 A 59 59 LEU HA H 59 3.920 3.839 0.081 1
1 526 . 18 1 1 A 59 59 LEU CA C 59 57.300 57.693 -0.393 1
1 527 . 18 1 1 A 59 59 LEU CB C 59 40.800 40.862 -0.062 1
1 531 . 18 1 1 A 59 59 LEU N N 59 116.800 118.424 -1.624 1
1 532 . 18 1 1 A 60 60 GLU H H 60 7.310 8.072 -0.762 1
1 533 . 18 1 1 A 60 60 GLU HA H 60 4.030 3.998 0.032 1
1 538 . 18 1 1 A 60 60 GLU CA C 60 58.800 59.042 -0.242 1
1 539 . 18 1 1 A 60 60 GLU CB C 60 28.900 29.505 -0.605 1
1 541 . 18 1 1 A 60 60 GLU N N 60 119.000 120.957 -1.957 1
1 542 . 18 1 1 A 61 61 LEU H H 61 7.700 8.018 -0.318 1
1 543 . 18 1 1 A 61 61 LEU HA H 61 4.000 4.005 -0.005 1
1 553 . 18 1 1 A 61 61 LEU CA C 61 58.100 57.960 0.140 1
1 554 . 18 1 1 A 61 61 LEU CB C 61 41.400 41.648 -0.248 1
1 558 . 18 1 1 A 61 61 LEU N N 61 120.800 119.611 1.189 1
1 559 . 18 1 1 A 62 62 ILE H H 62 7.510 7.933 -0.423 1
1 560 . 18 1 1 A 62 62 ILE HA H 62 4.040 3.934 0.106 1
1 570 . 18 1 1 A 62 62 ILE CA C 62 63.200 64.041 -0.841 1
1 571 . 18 1 1 A 62 62 ILE CB C 62 37.200 37.164 0.036 1
1 575 . 18 1 1 A 62 62 ILE N N 62 110.700 115.124 -4.424 1
1 576 . 18 1 1 A 63 63 LYS H H 63 7.520 7.849 -0.329 1
1 577 . 18 1 1 A 63 63 LYS HA H 63 4.070 4.067 0.003 1
1 586 . 18 1 1 A 63 63 LYS CA C 63 58.600 58.958 -0.358 1
1 587 . 18 1 1 A 63 63 LYS CB C 63 32.800 31.998 0.802 1
1 590 . 18 1 1 A 63 63 LYS N N 63 121.100 123.104 -2.004 1
1 591 . 18 1 1 A 64 64 VAL H H 64 7.630 7.139 0.491 1
1 592 . 18 1 1 A 64 64 VAL HA H 64 3.950 3.886 0.064 1
1 600 . 18 1 1 A 64 64 VAL CA C 64 63.900 64.443 -0.543 1
1 601 . 18 1 1 A 64 64 VAL CB C 64 32.400 32.665 -0.265 1
1 604 . 18 1 1 A 64 64 VAL N N 64 115.200 118.746 -3.546 1
1 605 . 18 1 1 A 65 65 ARG H H 65 7.980 8.159 -0.179 1
1 606 . 18 1 1 A 65 65 ARG HA H 65 4.390 4.766 -0.376 1
1 613 . 18 1 1 A 65 65 ARG CA C 65 55.200 53.779 1.421 1
1 614 . 18 1 1 A 65 65 ARG CB C 65 31.500 33.408 -1.908 1
1 617 . 18 1 1 A 65 65 ARG N N 65 118.300 115.169 3.131 1
1 618 . 18 1 1 A 66 66 ARG HA H 66 4.340 4.787 -0.447 1
1 621 . 18 1 1 A 66 66 ARG CA C 66 54.900 52.485 2.415 1
1 622 . 18 1 1 A 66 66 ARG CB C 66 29.200 30.773 -1.573 1
1 629 . 18 1 1 A 68 68 LYS HA H 68 4.100 3.706 0.394 1
1 638 . 18 1 1 A 68 68 LYS CA C 68 57.900 58.613 -0.713 1
1 639 . 18 1 1 A 68 68 LYS CB C 68 34.100 30.267 3.833 1
1 643 . 18 1 1 A 69 69 TYR HA H 69 4.760 4.334 0.426 1
1 650 . 18 1 1 A 69 69 TYR CA C 69 57.800 59.969 -2.169 1
1 651 . 18 1 1 A 69 69 TYR CB C 69 39.600 38.692 0.908 1
1 654 . 18 1 1 A 70 70 VAL H H 70 6.950 7.643 -0.693 1
1 655 . 18 1 1 A 70 70 VAL HA H 70 4.720 4.116 0.604 1
1 663 . 18 1 1 A 70 70 VAL CA C 70 60.000 62.020 -2.020 1
1 664 . 18 1 1 A 70 70 VAL CB C 70 34.500 32.524 1.976 1
1 667 . 18 1 1 A 70 70 VAL N N 70 115.400 118.404 -3.004 1
1 668 . 18 1 1 A 71 71 HIS H H 71 7.870 8.932 -1.062 1
1 669 . 18 1 1 A 71 71 HIS HA H 71 4.910 5.147 -0.237 1
1 673 . 18 1 1 A 71 71 HIS CA C 71 54.100 54.683 -0.583 1
1 674 . 18 1 1 A 71 71 HIS CB C 71 33.700 32.594 1.106 1
1 676 . 18 1 1 A 71 71 HIS N N 71 120.600 125.538 -4.938 1
1 677 . 18 1 1 A 72 72 LYS H H 72 8.400 8.993 -0.593 1
1 678 . 18 1 1 A 72 72 LYS HA H 72 3.680 3.965 -0.285 1
1 687 . 18 1 1 A 72 72 LYS CA C 72 60.600 59.148 1.452 1
1 688 . 18 1 1 A 72 72 LYS CB C 72 32.800 32.162 0.638 1
1 692 . 18 1 1 A 73 73 GLU H H 73 9.680 8.234 1.446 1
1 693 . 18 1 1 A 73 73 GLU HA H 73 4.170 4.103 0.067 1
1 698 . 18 1 1 A 73 73 GLU CA C 73 60.000 59.454 0.546 1
1 699 . 18 1 1 A 73 73 GLU CB C 73 28.300 29.130 -0.830 1
1 701 . 18 1 1 A 73 73 GLU N N 73 117.300 119.757 -2.457 1
1 702 . 18 1 1 A 74 74 GLN H H 74 7.360 7.941 -0.581 1
1 703 . 18 1 1 A 74 74 GLN HA H 74 4.180 4.069 0.111 1
1 710 . 18 1 1 A 74 74 GLN CA C 74 58.300 58.849 -0.549 1
1 711 . 18 1 1 A 74 74 GLN CB C 74 28.300 28.256 0.044 1
1 713 . 18 1 1 A 74 74 GLN N N 74 117.700 118.357 -0.657 1
1 715 . 18 1 1 A 75 75 ILE H H 75 7.530 7.899 -0.369 1
1 716 . 18 1 1 A 75 75 ILE HA H 75 3.780 3.781 -0.001 1
1 726 . 18 1 1 A 75 75 ILE CA C 75 64.100 65.719 -1.619 1
1 727 . 18 1 1 A 75 75 ILE CB C 75 36.800 37.587 -0.787 1
1 731 . 18 1 1 A 75 75 ILE N N 75 120.600 120.990 -0.390 1
1 732 . 18 1 1 A 76 76 GLU H H 76 8.340 8.051 0.289 1
1 733 . 18 1 1 A 76 76 GLU HA H 76 3.970 4.077 -0.107 1
1 738 . 18 1 1 A 76 76 GLU CA C 76 59.200 59.798 -0.598 1
1 739 . 18 1 1 A 76 76 GLU CB C 76 29.700 28.999 0.701 1
1 741 . 18 1 1 A 76 76 GLU N N 76 117.500 121.796 -4.296 1
1 742 . 18 1 1 A 77 77 ALA H H 77 7.390 7.931 -0.541 1
1 743 . 18 1 1 A 77 77 ALA HA H 77 4.370 4.124 0.246 1
1 747 . 18 1 1 A 77 77 ALA CA C 77 53.400 55.141 -1.741 1
1 748 . 18 1 1 A 77 77 ALA CB C 77 18.800 18.443 0.357 1
1 749 . 18 1 1 A 77 77 ALA N N 77 118.600 122.958 -4.358 1
1 750 . 18 1 1 A 78 78 VAL H H 78 7.620 8.398 -0.778 1
1 751 . 18 1 1 A 78 78 VAL HA H 78 3.720 3.457 0.263 1
1 759 . 18 1 1 A 78 78 VAL CA C 78 66.700 67.172 -0.472 1
1 760 . 18 1 1 A 78 78 VAL CB C 78 31.500 31.488 0.012 1
1 763 . 18 1 1 A 78 78 VAL N N 78 116.800 118.863 -2.063 1
1 764 . 18 1 1 A 79 79 LYS H H 79 8.570 8.196 0.374 1
1 765 . 18 1 1 A 79 79 LYS HA H 79 3.780 4.061 -0.281 1
1 774 . 18 1 1 A 79 79 LYS CA C 79 61.800 59.913 1.887 1
1 775 . 18 1 1 A 79 79 LYS CB C 79 31.500 32.582 -1.082 1
1 779 . 18 1 1 A 79 79 LYS N N 79 119.500 120.070 -0.570 1
1 780 . 18 1 1 A 80 80 ASP H H 80 8.350 7.703 0.647 1
1 781 . 18 1 1 A 80 80 ASP HA H 80 4.490 4.434 0.056 1
1 784 . 18 1 1 A 80 80 ASP CA C 80 57.300 57.445 -0.145 1
1 785 . 18 1 1 A 80 80 ASP CB C 80 40.000 40.892 -0.892 1
1 786 . 18 1 1 A 80 80 ASP N N 80 115.500 119.879 -4.379 1
1 787 . 18 1 1 A 81 81 ASN H H 81 7.690 8.327 -0.637 1
1 788 . 18 1 1 A 81 81 ASN HA H 81 4.540 4.479 0.061 1
1 793 . 18 1 1 A 81 81 ASN CA C 81 55.500 56.373 -0.873 1
1 794 . 18 1 1 A 81 81 ASN CB C 81 38.600 37.748 0.852 1
1 795 . 18 1 1 A 81 81 ASN N N 81 118.300 116.747 1.553 1
1 797 . 18 1 1 A 82 82 PHE H H 82 9.620 8.545 1.075 1
1 798 . 18 1 1 A 82 82 PHE HA H 82 4.060 4.154 -0.094 1
1 806 . 18 1 1 A 82 82 PHE CA C 82 60.900 61.267 -0.367 1
1 807 . 18 1 1 A 82 82 PHE CB C 82 39.500 38.991 0.509 1
1 811 . 18 1 1 A 82 82 PHE N N 82 121.400 123.038 -1.638 1
1 812 . 18 1 1 A 83 83 LEU H H 83 8.210 8.343 -0.133 1
1 813 . 18 1 1 A 83 83 LEU HA H 83 3.900 3.861 0.039 1
1 823 . 18 1 1 A 83 83 LEU CA C 83 57.000 57.954 -0.954 1
1 824 . 18 1 1 A 83 83 LEU CB C 83 40.400 41.260 -0.860 1
1 828 . 18 1 1 A 83 83 LEU N N 83 117.400 119.435 -2.035 1
1 829 . 18 1 1 A 84 84 GLU H H 84 7.660 8.380 -0.720 1
1 830 . 18 1 1 A 84 84 GLU HA H 84 4.150 4.089 0.061 1
1 835 . 18 1 1 A 84 84 GLU CA C 84 59.500 59.437 0.063 1
1 836 . 18 1 1 A 84 84 GLU CB C 84 28.700 29.641 -0.941 1
1 838 . 18 1 1 A 84 84 GLU N N 84 121.500 120.230 1.270 1
1 839 . 18 1 1 A 85 85 LEU H H 85 8.100 8.342 -0.242 1
1 840 . 18 1 1 A 85 85 LEU HA H 85 3.600 4.068 -0.468 1
1 850 . 18 1 1 A 85 85 LEU CA C 85 59.300 58.313 0.987 1
1 851 . 18 1 1 A 85 85 LEU CB C 85 41.800 41.445 0.355 1
1 855 . 18 1 1 A 85 85 LEU N N 85 121.700 120.757 0.943 1
1 856 . 18 1 1 A 86 86 VAL H H 86 8.220 8.174 0.046 1
1 857 . 18 1 1 A 86 86 VAL HA H 86 3.100 3.442 -0.342 1
1 865 . 18 1 1 A 86 86 VAL CA C 86 67.200 66.827 0.373 1
1 866 . 18 1 1 A 86 86 VAL CB C 86 31.500 31.334 0.166 1
1 869 . 18 1 1 A 86 86 VAL N N 86 118.400 119.175 -0.775 1
1 870 . 18 1 1 A 87 87 LEU H H 87 8.450 8.402 0.048 1
1 871 . 18 1 1 A 87 87 LEU HA H 87 3.960 4.118 -0.158 1
1 881 . 18 1 1 A 87 87 LEU CA C 87 59.100 58.650 0.450 1
1 882 . 18 1 1 A 87 87 LEU CB C 87 42.300 41.680 0.620 1
1 886 . 18 1 1 A 87 87 LEU N N 87 120.200 120.412 -0.212 1
1 887 . 18 1 1 A 88 88 GLN H H 88 9.350 8.687 0.663 1
1 888 . 18 1 1 A 88 88 GLN HA H 88 4.180 4.310 -0.130 1
1 895 . 18 1 1 A 88 88 GLN CA C 88 57.300 57.101 0.199 1
1 896 . 18 1 1 A 88 88 GLN CB C 88 25.400 27.932 -2.532 1
1 898 . 18 1 1 A 88 88 GLN N N 88 114.900 117.237 -2.337 1
1 900 . 18 1 1 A 89 89 SER H H 89 8.680 7.818 0.862 1
1 901 . 18 1 1 A 89 89 SER HA H 89 4.080 4.326 -0.246 1
1 904 . 18 1 1 A 89 89 SER CA C 89 61.900 60.883 1.017 1
1 905 . 18 1 1 A 89 89 SER CB C 89 62.200 62.784 -0.584 1
1 906 . 18 1 1 A 89 89 SER N N 89 117.500 116.135 1.365 1
1 907 . 18 1 1 A 90 90 TYR H H 90 7.330 7.248 0.082 1
1 908 . 18 1 1 A 90 90 TYR HA H 90 4.320 4.253 0.067 1
1 915 . 18 1 1 A 90 90 TYR CA C 90 59.700 60.114 -0.414 1
1 916 . 18 1 1 A 90 90 TYR CB C 90 41.400 39.251 2.149 1
1 919 . 18 1 1 A 90 90 TYR N N 90 116.000 119.653 -3.653 1
1 920 . 18 1 1 A 91 91 VAL H H 91 7.730 7.634 0.096 1
1 921 . 18 1 1 A 91 91 VAL HA H 91 4.010 4.096 -0.086 1
1 929 . 18 1 1 A 91 91 VAL CA C 91 62.600 64.491 -1.891 1
1 930 . 18 1 1 A 91 91 VAL CB C 91 32.700 33.082 -0.382 1
1 933 . 18 1 1 A 91 91 VAL N N 91 110.500 113.238 -2.738 1
1 934 . 18 1 1 A 92 92 HIS H H 92 8.600 8.100 0.500 1
1 935 . 18 1 1 A 92 92 HIS HA H 92 4.280 4.320 -0.040 1
1 939 . 18 1 1 A 92 92 HIS CA C 92 56.000 56.277 -0.277 1
1 940 . 18 1 1 A 92 92 HIS CB C 92 29.200 27.678 1.522 1
1 942 . 18 1 1 A 92 92 HIS N N 92 114.500 116.289 -1.789 1
1 943 . 18 1 1 A 93 93 HIS H H 93 8.350 8.395 -0.045 1
1 944 . 18 1 1 A 93 93 HIS HA H 93 4.780 4.710 0.070 1
1 948 . 18 1 1 A 93 93 HIS CA C 93 57.600 55.543 2.057 1
1 949 . 18 1 1 A 93 93 HIS CB C 93 31.900 31.348 0.552 1
1 951 . 18 1 1 A 93 93 HIS N N 93 118.200 118.731 -0.531 1
1 952 . 18 1 1 A 94 94 ILE H H 94 7.470 7.195 0.275 1
1 953 . 18 1 1 A 94 94 ILE HA H 94 4.370 4.516 -0.146 1
1 963 . 18 1 1 A 94 94 ILE CA C 94 60.900 59.077 1.823 1
1 964 . 18 1 1 A 94 94 ILE CB C 94 39.600 40.807 -1.207 1
1 968 . 18 1 1 A 94 94 ILE N N 94 111.400 115.691 -4.291 1
1 969 . 18 1 1 A 95 95 HIS H H 95 6.990 8.546 -1.556 1
1 970 . 18 1 1 A 96 96 LYS HA H 96 4.040 4.170 -0.130 1
1 977 . 18 1 1 A 97 97 LYS HA H 97 4.130 4.196 -0.066 1
1 986 . 18 1 1 A 97 97 LYS CA C 97 59.400 59.717 -0.317 1
1 987 . 18 1 1 A 97 97 LYS CB C 97 32.000 32.171 -0.171 1
1 991 . 18 1 1 A 98 98 ARG H H 98 7.150 7.828 -0.678 1
1 992 . 18 1 1 A 98 98 ARG HA H 98 4.150 4.079 0.071 1
1 999 . 18 1 1 A 98 98 ARG CA C 98 57.900 59.008 -1.108 1
1 1000 . 18 1 1 A 98 98 ARG CB C 98 28.600 29.680 -1.080 1
1 1003 . 18 1 1 A 98 98 ARG N N 98 118.500 120.136 -1.636 1
1 1004 . 18 1 1 A 99 99 PHE H H 99 8.260 8.065 0.195 1
1 1005 . 18 1 1 A 99 99 PHE HA H 99 3.450 3.919 -0.469 1
1 1013 . 18 1 1 A 99 99 PHE CA C 99 62.700 61.367 1.333 1
1 1014 . 18 1 1 A 99 99 PHE CB C 99 39.200 38.634 0.566 1
1 1018 . 18 1 1 A 99 99 PHE N N 99 119.100 120.346 -1.246 1
1 1019 . 18 1 1 A 100 100 LYS H H 100 8.500 7.968 0.532 1
1 1020 . 18 1 1 A 100 100 LYS HA H 100 3.980 3.978 0.002 1
1 1029 . 18 1 1 A 100 100 LYS CA C 100 59.300 59.742 -0.442 1
1 1030 . 18 1 1 A 100 100 LYS CB C 100 31.900 32.770 -0.870 1
1 1034 . 18 1 1 A 100 100 LYS N N 100 121.700 118.709 2.991 1
1 1035 . 18 1 1 A 101 101 ASP H H 101 8.150 7.675 0.475 1
1 1036 . 18 1 1 A 101 101 ASP HA H 101 4.290 4.450 -0.160 1
1 1039 . 18 1 1 A 101 101 ASP CA C 101 57.300 57.074 0.226 1
1 1040 . 18 1 1 A 101 101 ASP CB C 101 39.900 40.455 -0.555 1
1 1041 . 18 1 1 A 101 101 ASP N N 101 119.800 119.391 0.409 1
1 1042 . 18 1 1 A 102 102 ILE H H 102 8.220 8.029 0.191 1
1 1043 . 18 1 1 A 102 102 ILE HA H 102 3.690 3.457 0.233 1
1 1053 . 18 1 1 A 102 102 ILE CA C 102 65.000 65.190 -0.190 1
1 1054 . 18 1 1 A 102 102 ILE CB C 102 37.700 37.568 0.132 1
1 1058 . 18 1 1 A 102 102 ILE N N 102 118.800 119.965 -1.165 1
1 1059 . 18 1 1 A 103 103 THR H H 103 7.930 8.046 -0.116 1
1 1060 . 18 1 1 A 103 103 THR HA H 103 3.480 3.648 -0.168 1
1 1066 . 18 1 1 A 103 103 THR CA C 103 67.300 66.925 0.375 1
1 1067 . 18 1 1 A 103 103 THR CB C 103 67.700 68.443 -0.743 1
1 1069 . 18 1 1 A 103 103 THR N N 103 117.900 116.543 1.357 1
1 1070 . 18 1 1 A 104 104 GLU H H 104 8.470 8.583 -0.113 1
1 1071 . 18 1 1 A 104 104 GLU HA H 104 3.920 3.890 0.030 1
1 1076 . 18 1 1 A 104 104 GLU CA C 104 59.500 59.704 -0.204 1
1 1077 . 18 1 1 A 104 104 GLU CB C 104 29.200 29.223 -0.023 1
1 1079 . 18 1 1 A 104 104 GLU N N 104 118.900 120.311 -1.411 1
1 1080 . 18 1 1 A 105 105 SER H H 105 7.840 8.237 -0.397 1
1 1081 . 18 1 1 A 105 105 SER HA H 105 4.290 4.182 0.108 1
1 1084 . 18 1 1 A 105 105 SER CA C 105 60.900 62.678 -1.778 1
1 1085 . 18 1 1 A 105 105 SER CB C 105 62.700 62.988 -0.288 1
1 1086 . 18 1 1 A 105 105 SER N N 105 114.200 116.526 -2.326 1
1 1087 . 18 1 1 A 106 106 VAL H H 106 8.290 8.104 0.186 1
1 1088 . 18 1 1 A 106 106 VAL HA H 106 3.690 3.588 0.102 1
1 1096 . 18 1 1 A 106 106 VAL CA C 106 66.300 66.877 -0.577 1
1 1097 . 18 1 1 A 106 106 VAL CB C 106 31.900 31.674 0.226 1
1 1100 . 18 1 1 A 106 106 VAL N N 106 122.100 122.056 0.044 1
1 1101 . 18 1 1 A 107 107 LEU H H 107 8.560 8.565 -0.005 1
1 1102 . 18 1 1 A 107 107 LEU HA H 107 3.900 3.600 0.300 1
1 1112 . 18 1 1 A 107 107 LEU CA C 107 58.300 57.825 0.475 1
1 1113 . 18 1 1 A 107 107 LEU CB C 107 41.200 41.264 -0.064 1
1 1117 . 18 1 1 A 107 107 LEU N N 107 117.500 118.232 -0.732 1
1 1118 . 18 1 1 A 108 108 TYR H H 108 8.450 8.488 -0.038 1
1 1119 . 18 1 1 A 108 108 TYR HA H 108 4.170 3.937 0.233 1
1 1126 . 18 1 1 A 108 108 TYR CA C 108 61.800 61.813 -0.013 1
1 1127 . 18 1 1 A 108 108 TYR CB C 108 37.900 38.520 -0.620 1
1 1130 . 18 1 1 A 108 108 TYR N N 108 119.000 119.127 -0.127 1
1 1131 . 18 1 1 A 109 109 THR H H 109 7.800 7.759 0.041 1
1 1132 . 18 1 1 A 109 109 THR HA H 109 3.860 4.168 -0.308 1
1 1137 . 18 1 1 A 109 109 THR CA C 109 66.800 67.339 -0.539 1
1 1138 . 18 1 1 A 109 109 THR CB C 109 67.800 68.117 -0.317 1
1 1140 . 18 1 1 A 109 109 THR N N 109 116.500 115.626 0.874 1
1 1141 . 18 1 1 A 110 110 LEU H H 110 8.510 8.418 0.092 1
1 1142 . 18 1 1 A 110 110 LEU HA H 110 3.900 4.045 -0.145 1
1 1152 . 18 1 1 A 110 110 LEU CA C 110 58.500 57.861 0.639 1
1 1153 . 18 1 1 A 110 110 LEU CB C 110 41.300 41.555 -0.255 1
1 1157 . 18 1 1 A 110 110 LEU N N 110 121.000 120.907 0.093 1
1 1158 . 18 1 1 A 111 111 HIS H H 111 8.440 8.481 -0.041 1
1 1159 . 18 1 1 A 111 111 HIS HA H 111 4.000 4.220 -0.220 1
1 1163 . 18 1 1 A 111 111 HIS CA C 111 60.900 60.253 0.647 1
1 1164 . 18 1 1 A 111 111 HIS CB C 111 29.700 29.267 0.433 1
1 1166 . 18 1 1 A 111 111 HIS N N 111 116.300 117.826 -1.526 1
1 1167 . 18 1 1 A 112 112 ALA H H 112 7.920 7.828 0.092 1
1 1168 . 18 1 1 A 112 112 ALA HA H 112 4.130 3.698 0.432 1
1 1172 . 18 1 1 A 112 112 ALA CA C 112 55.000 54.982 0.018 1
1 1173 . 18 1 1 A 112 112 ALA CB C 112 17.600 18.489 -0.889 1
1 1174 . 18 1 1 A 112 112 ALA N N 112 122.900 122.128 0.772 1
1 1175 . 18 1 1 A 113 113 VAL H H 113 8.300 8.122 0.178 1
1 1176 . 18 1 1 A 113 113 VAL HA H 113 3.540 3.443 0.097 1
1 1184 . 18 1 1 A 113 113 VAL CA C 113 67.200 66.793 0.407 1
1 1185 . 18 1 1 A 113 113 VAL CB C 113 31.000 31.578 -0.578 1
1 1188 . 18 1 1 A 113 113 VAL N N 113 119.000 118.861 0.139 1
1 1189 . 18 1 1 A 114 114 LYS H H 114 8.220 8.360 -0.140 1
1 1190 . 18 1 1 A 114 114 LYS HA H 114 3.810 4.011 -0.201 1
1 1199 . 18 1 1 A 114 114 LYS CA C 114 60.800 60.002 0.798 1
1 1200 . 18 1 1 A 114 114 LYS CB C 114 31.500 32.134 -0.634 1
1 1204 . 18 1 1 A 114 114 LYS N N 114 120.600 120.462 0.138 1
1 1205 . 18 1 1 A 115 115 ASP H H 115 8.180 8.044 0.136 1
1 1206 . 18 1 1 A 115 115 ASP HA H 115 4.300 4.364 -0.064 1
1 1209 . 18 1 1 A 115 115 ASP CA C 115 56.800 57.796 -0.996 1
1 1210 . 18 1 1 A 115 115 ASP CB C 115 39.600 41.057 -1.457 1
1 1211 . 18 1 1 A 115 115 ASP N N 115 118.800 119.429 -0.629 1
1 1212 . 18 1 1 A 116 116 GLU H H 116 7.990 8.203 -0.213 1
1 1213 . 18 1 1 A 116 116 GLU HA H 116 4.060 4.126 -0.066 1
1 1218 . 18 1 1 A 116 116 GLU CA C 116 58.400 59.243 -0.843 1
1 1219 . 18 1 1 A 116 116 GLU CB C 116 29.000 29.526 -0.526 1
1 1221 . 18 1 1 A 116 116 GLU N N 116 120.800 119.213 1.587 1
1 1222 . 18 1 1 A 117 117 ILE H H 117 8.370 8.008 0.362 1
1 1223 . 18 1 1 A 117 117 ILE HA H 117 3.610 3.694 -0.084 1
1 1233 . 18 1 1 A 117 117 ILE CA C 117 64.800 65.658 -0.858 1
1 1234 . 18 1 1 A 117 117 ILE CB C 117 38.600 38.301 0.299 1
1 1238 . 18 1 1 A 117 117 ILE N N 117 119.700 120.233 -0.533 1
1 1239 . 18 1 1 A 118 118 ALA H H 118 7.720 8.056 -0.336 1
1 1240 . 18 1 1 A 118 118 ALA HA H 118 4.250 4.120 0.130 1
1 1244 . 18 1 1 A 118 118 ALA CA C 118 52.900 54.749 -1.849 1
1 1245 . 18 1 1 A 118 118 ALA CB C 118 18.700 18.268 0.432 1
1 1246 . 18 1 1 A 118 118 ALA N N 118 119.900 121.905 -2.005 1
1 1247 . 18 1 1 A 119 119 ARG H H 119 7.450 7.967 -0.517 1
1 1248 . 18 1 1 A 119 119 ARG HA H 119 4.110 4.106 0.004 1
1 1255 . 18 1 1 A 119 119 ARG CA C 119 57.600 58.923 -1.323 1
1 1256 . 18 1 1 A 119 119 ARG CB C 119 31.000 29.577 1.423 1
1 1259 . 18 1 1 A 119 119 ARG N N 119 118.400 118.974 -0.574 1
1 1260 . 18 1 1 A 120 120 GLU H H 120 8.890 7.761 1.129 1
1 1261 . 18 1 1 A 120 120 GLU HA H 120 4.280 4.152 0.128 1
1 1266 . 18 1 1 A 120 120 GLU CA C 120 57.600 59.008 -1.408 1
1 1267 . 18 1 1 A 120 120 GLU CB C 120 30.100 29.654 0.446 1
1 1269 . 18 1 1 A 120 120 GLU N N 120 114.900 119.529 -4.629 1
1 1 . 19 1 1 A 6 6 LEU HA H 6 4.230 4.100 0.130 1
1 11 . 19 1 1 A 6 6 LEU CA C 6 58.000 57.425 0.575 1
1 12 . 19 1 1 A 6 6 LEU CB C 6 40.900 41.465 -0.565 1
1 16 . 19 1 1 A 7 7 LEU H H 7 8.970 7.840 1.130 1
1 17 . 19 1 1 A 7 7 LEU HA H 7 3.970 4.099 -0.129 1
1 27 . 19 1 1 A 7 7 LEU CA C 7 58.500 58.311 0.189 1
1 28 . 19 1 1 A 7 7 LEU CB C 7 41.000 41.625 -0.625 1
1 32 . 19 1 1 A 7 7 LEU N N 7 124.300 120.143 4.157 1
1 33 . 19 1 1 A 8 8 GLU H H 8 7.910 8.133 -0.223 1
1 34 . 19 1 1 A 8 8 GLU HA H 8 4.040 3.942 0.098 1
1 39 . 19 1 1 A 8 8 GLU CA C 8 59.500 59.539 -0.039 1
1 40 . 19 1 1 A 8 8 GLU CB C 8 29.200 28.907 0.293 1
1 42 . 19 1 1 A 8 8 GLU N N 8 119.000 119.259 -0.259 1
1 43 . 19 1 1 A 9 9 MET H H 9 8.520 7.722 0.798 1
1 44 . 19 1 1 A 9 9 MET HA H 9 4.030 4.204 -0.174 1
1 52 . 19 1 1 A 9 9 MET CA C 9 59.900 58.393 1.507 1
1 53 . 19 1 1 A 9 9 MET CB C 9 36.000 32.890 3.110 1
1 56 . 19 1 1 A 9 9 MET N N 9 117.500 118.889 -1.389 1
1 57 . 19 1 1 A 10 10 THR H H 10 8.470 7.665 0.805 1
1 58 . 19 1 1 A 10 10 THR HA H 10 3.550 3.768 -0.218 1
1 64 . 19 1 1 A 10 10 THR CA C 10 67.200 67.382 -0.182 1
1 65 . 19 1 1 A 10 10 THR CB C 10 68.500 68.396 0.104 1
1 67 . 19 1 1 A 10 10 THR N N 10 116.600 115.356 1.244 1
1 68 . 19 1 1 A 11 11 GLU H H 11 8.500 8.896 -0.396 1
1 69 . 19 1 1 A 11 11 GLU HA H 11 3.910 3.871 0.039 1
1 74 . 19 1 1 A 11 11 GLU CA C 11 59.400 60.007 -0.607 1
1 75 . 19 1 1 A 11 11 GLU CB C 11 29.200 29.011 0.189 1
1 77 . 19 1 1 A 11 11 GLU N N 11 119.400 119.536 -0.136 1
1 78 . 19 1 1 A 12 12 GLN H H 12 8.140 8.177 -0.037 1
1 79 . 19 1 1 A 12 12 GLN HA H 12 4.100 4.035 0.065 1
1 86 . 19 1 1 A 12 12 GLN CA C 12 59.000 58.678 0.322 1
1 87 . 19 1 1 A 12 12 GLN CB C 12 27.800 28.639 -0.839 1
1 89 . 19 1 1 A 12 12 GLN N N 12 120.400 120.205 0.195 1
1 91 . 19 1 1 A 13 13 MET H H 13 8.120 7.609 0.511 1
1 92 . 19 1 1 A 13 13 MET HA H 13 3.710 3.988 -0.278 1
1 100 . 19 1 1 A 13 13 MET CA C 13 59.600 58.158 1.442 1
1 101 . 19 1 1 A 13 13 MET CB C 13 33.300 31.697 1.603 1
1 104 . 19 1 1 A 13 13 MET N N 13 118.500 118.361 0.139 1
1 105 . 19 1 1 A 14 14 ILE H H 14 8.040 8.171 -0.131 1
1 106 . 19 1 1 A 14 14 ILE HA H 14 3.270 3.510 -0.240 1
1 116 . 19 1 1 A 14 14 ILE CA C 14 65.700 64.996 0.704 1
1 117 . 19 1 1 A 14 14 ILE CB C 14 38.000 37.646 0.354 1
1 121 . 19 1 1 A 14 14 ILE N N 14 119.400 119.777 -0.377 1
1 122 . 19 1 1 A 15 15 GLU H H 15 7.700 8.275 -0.575 1
1 123 . 19 1 1 A 15 15 GLU HA H 15 4.110 4.017 0.093 1
1 128 . 19 1 1 A 15 15 GLU CA C 15 59.300 59.314 -0.014 1
1 129 . 19 1 1 A 15 15 GLU CB C 15 29.200 29.519 -0.319 1
1 131 . 19 1 1 A 15 15 GLU N N 15 119.000 120.933 -1.933 1
1 132 . 19 1 1 A 16 16 VAL H H 16 8.410 8.287 0.123 1
1 133 . 19 1 1 A 16 16 VAL HA H 16 3.530 3.663 -0.133 1
1 141 . 19 1 1 A 16 16 VAL CA C 16 66.600 66.441 0.159 1
1 142 . 19 1 1 A 16 16 VAL CB C 16 31.900 31.640 0.260 1
1 145 . 19 1 1 A 16 16 VAL N N 16 119.500 120.666 -1.166 1
1 146 . 19 1 1 A 17 17 ALA H H 17 8.600 8.021 0.579 1
1 147 . 19 1 1 A 17 17 ALA HA H 17 4.080 4.034 0.046 1
1 151 . 19 1 1 A 17 17 ALA CA C 17 54.700 55.939 -1.239 1
1 152 . 19 1 1 A 17 17 ALA CB C 17 17.700 18.568 -0.868 1
1 153 . 19 1 1 A 17 17 ALA N N 17 123.100 121.805 1.295 1
1 154 . 19 1 1 A 18 18 GLU H H 18 8.850 8.200 0.650 1
1 155 . 19 1 1 A 18 18 GLU HA H 18 3.990 4.013 -0.023 1
1 160 . 19 1 1 A 18 18 GLU CA C 18 59.500 59.618 -0.118 1
1 161 . 19 1 1 A 18 18 GLU CB C 18 29.700 29.560 0.140 1
1 163 . 19 1 1 A 18 18 GLU N N 18 117.900 118.109 -0.209 1
1 164 . 19 1 1 A 19 19 LYS H H 19 8.750 8.490 0.260 1
1 165 . 19 1 1 A 19 19 LYS HA H 19 4.150 4.072 0.078 1
1 174 . 19 1 1 A 19 19 LYS CA C 19 58.700 59.154 -0.454 1
1 175 . 19 1 1 A 19 19 LYS CB C 19 31.900 32.198 -0.298 1
1 179 . 19 1 1 A 19 19 LYS N N 19 119.200 118.840 0.360 1
1 180 . 19 1 1 A 20 20 GLY H H 20 8.640 8.499 0.141 1
1 181 . 19 1 1 A 20 20 GLY HA2 H 20 3.790 3.827 -0.037 1
1 182 . 19 1 1 A 20 20 GLY HA3 H 20 3.500 3.846 -0.346 1
1 183 . 19 1 1 A 20 20 GLY CA C 20 46.400 47.271 -0.871 1
1 184 . 19 1 1 A 20 20 GLY N N 20 110.300 108.376 1.924 1
1 185 . 19 1 1 A 21 21 ALA H H 21 8.550 8.129 0.421 1
1 186 . 19 1 1 A 21 21 ALA HA H 21 4.490 4.197 0.293 1
1 190 . 19 1 1 A 21 21 ALA CA C 21 55.100 54.689 0.411 1
1 191 . 19 1 1 A 21 21 ALA CB C 21 17.300 18.648 -1.348 1
1 192 . 19 1 1 A 21 21 ALA N N 21 125.300 124.946 0.354 1
1 193 . 19 1 1 A 22 22 ASP H H 22 7.660 8.636 -0.976 1
1 194 . 19 1 1 A 22 22 ASP HA H 22 4.460 4.411 0.049 1
1 197 . 19 1 1 A 22 22 ASP CA C 22 56.900 57.578 -0.678 1
1 198 . 19 1 1 A 22 22 ASP CB C 22 40.500 42.137 -1.637 1
1 199 . 19 1 1 A 22 22 ASP N N 22 119.000 118.453 0.547 1
1 200 . 19 1 1 A 23 23 ARG H H 23 8.110 8.206 -0.096 1
1 201 . 19 1 1 A 23 23 ARG HA H 23 4.000 3.948 0.052 1
1 208 . 19 1 1 A 23 23 ARG CA C 23 59.200 58.928 0.272 1
1 209 . 19 1 1 A 23 23 ARG CB C 23 30.700 29.877 0.823 1
1 212 . 19 1 1 A 23 23 ARG N N 23 121.800 120.272 1.528 1
1 213 . 19 1 1 A 24 24 TYR H H 24 8.460 8.334 0.126 1
1 214 . 19 1 1 A 24 24 TYR HA H 24 3.780 4.059 -0.279 1
1 221 . 19 1 1 A 24 24 TYR CA C 24 60.900 62.252 -1.352 1
1 222 . 19 1 1 A 24 24 TYR CB C 24 39.400 38.184 1.216 1
1 225 . 19 1 1 A 24 24 TYR N N 24 120.400 120.628 -0.228 1
1 226 . 19 1 1 A 25 25 GLN H H 25 7.540 8.755 -1.215 1
1 227 . 19 1 1 A 25 25 GLN HA H 25 3.750 3.790 -0.040 1
1 232 . 19 1 1 A 25 25 GLN CA C 25 57.800 58.602 -0.802 1
1 233 . 19 1 1 A 25 25 GLN CB C 25 28.400 28.034 0.366 1
1 235 . 19 1 1 A 25 25 GLN N N 25 117.500 118.816 -1.316 1
1 236 . 19 1 1 A 26 26 GLU H H 26 7.980 8.358 -0.378 1
1 237 . 19 1 1 A 26 26 GLU HA H 26 4.010 4.134 -0.124 1
1 242 . 19 1 1 A 26 26 GLU CA C 26 57.900 58.321 -0.421 1
1 243 . 19 1 1 A 26 26 GLU CB C 26 29.700 30.037 -0.337 1
1 245 . 19 1 1 A 26 26 GLU N N 26 117.900 119.864 -1.964 1
1 246 . 19 1 1 A 32 32 HIS HA H 32 4.620 4.107 0.513 1
1 249 . 19 1 1 A 32 32 HIS CA C 32 56.900 56.908 -0.008 1
1 250 . 19 1 1 A 32 32 HIS CB C 32 64.000 28.680 35.320 1
1 251 . 19 1 1 A 33 33 SER HA H 33 4.610 4.738 -0.128 1
1 254 . 19 1 1 A 33 33 SER CA C 33 56.900 55.779 1.121 1
1 255 . 19 1 1 A 33 33 SER CB C 33 64.000 65.822 -1.822 1
1 256 . 19 1 1 A 34 34 TYR HA H 34 4.630 4.704 -0.074 1
1 263 . 19 1 1 A 34 34 TYR CA C 34 56.900 58.682 -1.782 1
1 264 . 19 1 1 A 34 34 TYR CB C 34 40.700 40.331 0.369 1
1 267 . 19 1 1 A 36 36 PHE HA H 36 3.910 4.078 -0.168 1
1 275 . 19 1 1 A 36 36 PHE CA C 36 62.000 59.293 2.707 1
1 276 . 19 1 1 A 36 36 PHE CB C 36 39.200 36.500 2.700 1
1 280 . 19 1 1 A 37 37 PHE H H 37 8.090 7.449 0.641 1
1 281 . 19 1 1 A 37 37 PHE HA H 37 3.980 4.801 -0.821 1
1 289 . 19 1 1 A 37 37 PHE CA C 37 61.600 57.884 3.716 1
1 290 . 19 1 1 A 37 37 PHE CB C 37 38.600 40.719 -2.119 1
1 294 . 19 1 1 A 37 37 PHE N N 37 116.200 118.770 -2.570 1
1 295 . 19 1 1 A 38 38 GLU H H 38 9.000 8.445 0.555 1
1 296 . 19 1 1 A 38 38 GLU HA H 38 4.130 4.252 -0.122 1
1 301 . 19 1 1 A 38 38 GLU CA C 38 57.700 57.592 0.108 1
1 302 . 19 1 1 A 38 38 GLU CB C 38 30.600 30.785 -0.185 1
1 304 . 19 1 1 A 38 38 GLU N N 38 116.000 126.184 -10.184 1
1 305 . 19 1 1 A 39 39 THR H H 39 7.390 8.232 -0.842 1
1 306 . 19 1 1 A 39 39 THR HA H 39 4.280 4.175 0.105 1
1 311 . 19 1 1 A 39 39 THR CA C 39 64.100 63.264 0.836 1
1 312 . 19 1 1 A 39 39 THR CB C 39 70.000 69.337 0.663 1
1 314 . 19 1 1 A 39 39 THR N N 39 110.400 113.663 -3.263 1
1 315 . 19 1 1 A 40 40 ILE H H 40 7.250 7.518 -0.268 1
1 316 . 19 1 1 A 40 40 ILE HA H 40 2.570 4.106 -1.536 1
1 326 . 19 1 1 A 40 40 ILE CA C 40 65.800 60.601 5.199 1
1 327 . 19 1 1 A 40 40 ILE CB C 40 37.300 35.841 1.459 1
1 331 . 19 1 1 A 40 40 ILE N N 40 120.900 120.888 0.012 1
1 332 . 19 1 1 A 41 41 LYS H H 41 8.400 7.873 0.527 1
1 333 . 19 1 1 A 41 41 LYS HA H 41 3.650 4.626 -0.976 1
1 336 . 19 1 1 A 41 41 LYS CA C 41 59.000 57.653 1.347 1
1 337 . 19 1 1 A 41 41 LYS CB C 41 29.700 34.948 -5.248 1
1 338 . 19 1 1 A 41 41 LYS N N 41 118.800 123.519 -4.719 1
1 339 . 19 1 1 A 42 42 PRO HA H 42 4.280 4.334 -0.054 1
1 346 . 19 1 1 A 42 42 PRO CA C 42 65.300 65.986 -0.686 1
1 347 . 19 1 1 A 42 42 PRO CB C 42 30.200 30.516 -0.316 1
1 350 . 19 1 1 A 43 43 ALA H H 43 6.790 7.478 -0.688 1
1 351 . 19 1 1 A 43 43 ALA HA H 43 4.190 4.093 0.097 1
1 355 . 19 1 1 A 43 43 ALA CA C 43 54.900 55.181 -0.281 1
1 356 . 19 1 1 A 43 43 ALA CB C 43 18.000 18.208 -0.208 1
1 357 . 19 1 1 A 43 43 ALA N N 43 119.500 119.282 0.218 1
1 358 . 19 1 1 A 44 44 VAL H H 44 8.380 7.995 0.385 1
1 359 . 19 1 1 A 44 44 VAL HA H 44 3.460 3.485 -0.025 1
1 367 . 19 1 1 A 44 44 VAL CA C 44 67.200 66.635 0.565 1
1 368 . 19 1 1 A 44 44 VAL CB C 44 31.500 31.628 -0.128 1
1 371 . 19 1 1 A 44 44 VAL N N 44 120.500 118.511 1.989 1
1 372 . 19 1 1 A 45 45 GLU H H 45 8.410 7.910 0.500 1
1 373 . 19 1 1 A 45 45 GLU HA H 45 4.060 3.955 0.105 1
1 378 . 19 1 1 A 45 45 GLU CA C 45 59.600 59.753 -0.153 1
1 379 . 19 1 1 A 45 45 GLU CB C 45 29.300 29.665 -0.365 1
1 381 . 19 1 1 A 45 45 GLU N N 45 118.400 118.626 -0.226 1
1 382 . 19 1 1 A 46 46 GLU H H 46 8.390 8.033 0.357 1
1 383 . 19 1 1 A 46 46 GLU HA H 46 4.200 4.080 0.120 1
1 388 . 19 1 1 A 46 46 GLU CA C 46 58.900 59.531 -0.631 1
1 389 . 19 1 1 A 46 46 GLU CB C 46 29.300 28.980 0.320 1
1 391 . 19 1 1 A 46 46 GLU N N 46 118.800 120.544 -1.744 1
1 392 . 19 1 1 A 47 47 ASN H H 47 7.700 8.586 -0.886 1
1 393 . 19 1 1 A 47 47 ASN HA H 47 4.900 4.701 0.199 1
1 398 . 19 1 1 A 47 47 ASN CA C 47 57.100 55.904 1.196 1
1 399 . 19 1 1 A 47 47 ASN CB C 47 39.000 37.974 1.026 1
1 400 . 19 1 1 A 47 47 ASN N N 47 118.000 118.155 -0.155 1
1 402 . 19 1 1 A 48 48 ASP H H 48 8.810 8.323 0.487 1
1 403 . 19 1 1 A 48 48 ASP HA H 48 4.520 4.349 0.171 1
1 406 . 19 1 1 A 48 48 ASP CA C 48 57.800 57.725 0.075 1
1 407 . 19 1 1 A 48 48 ASP CB C 48 41.700 41.495 0.205 1
1 408 . 19 1 1 A 48 48 ASP N N 48 124.000 119.310 4.690 1
1 409 . 19 1 1 A 49 49 GLU H H 49 7.310 8.374 -1.064 1
1 410 . 19 1 1 A 49 49 GLU HA H 49 4.070 4.104 -0.034 1
1 415 . 19 1 1 A 49 49 GLU CA C 49 59.500 59.293 0.207 1
1 416 . 19 1 1 A 49 49 GLU CB C 49 29.300 29.613 -0.313 1
1 418 . 19 1 1 A 49 49 GLU N N 49 117.600 118.490 -0.890 1
1 419 . 19 1 1 A 50 50 LEU H H 50 7.590 8.481 -0.891 1
1 420 . 19 1 1 A 50 50 LEU HA H 50 4.160 4.187 -0.027 1
1 430 . 19 1 1 A 50 50 LEU CA C 50 58.000 58.229 -0.229 1
1 431 . 19 1 1 A 50 50 LEU CB C 50 41.800 41.786 0.014 1
1 435 . 19 1 1 A 50 50 LEU N N 50 119.500 122.004 -2.504 1
1 436 . 19 1 1 A 51 51 ALA H H 51 8.620 8.739 -0.119 1
1 437 . 19 1 1 A 51 51 ALA HA H 51 4.210 4.008 0.202 1
1 441 . 19 1 1 A 51 51 ALA CA C 51 54.900 55.495 -0.595 1
1 442 . 19 1 1 A 51 51 ALA CB C 51 18.600 18.079 0.521 1
1 443 . 19 1 1 A 51 51 ALA N N 51 118.900 120.824 -1.924 1
1 444 . 19 1 1 A 52 52 ALA H H 52 8.410 8.105 0.305 1
1 445 . 19 1 1 A 52 52 ALA HA H 52 4.210 4.075 0.135 1
1 449 . 19 1 1 A 52 52 ALA CA C 52 55.100 55.465 -0.365 1
1 450 . 19 1 1 A 52 52 ALA CB C 52 18.400 18.244 0.156 1
1 451 . 19 1 1 A 52 52 ALA N N 52 119.400 120.809 -1.409 1
1 452 . 19 1 1 A 53 53 ARG H H 53 8.070 7.918 0.152 1
1 453 . 19 1 1 A 53 53 ARG HA H 53 4.130 4.095 0.035 1
1 460 . 19 1 1 A 53 53 ARG CA C 53 59.100 59.117 -0.017 1
1 461 . 19 1 1 A 53 53 ARG CB C 53 30.900 29.687 1.213 1
1 464 . 19 1 1 A 53 53 ARG N N 53 119.500 118.030 1.470 1
1 465 . 19 1 1 A 54 54 TRP H H 54 9.270 8.365 0.905 1
1 466 . 19 1 1 A 54 54 TRP HA H 54 3.830 4.151 -0.321 1
1 475 . 19 1 1 A 54 54 TRP CA C 54 62.400 61.547 0.853 1
1 476 . 19 1 1 A 54 54 TRP CB C 54 29.200 29.188 0.012 1
1 482 . 19 1 1 A 54 54 TRP N N 54 124.000 122.459 1.541 1
1 484 . 19 1 1 A 55 55 ALA H H 55 8.810 8.745 0.065 1
1 485 . 19 1 1 A 55 55 ALA HA H 55 3.220 3.868 -0.648 1
1 489 . 19 1 1 A 55 55 ALA CA C 55 55.100 55.335 -0.235 1
1 490 . 19 1 1 A 55 55 ALA CB C 55 17.500 18.072 -0.572 1
1 491 . 19 1 1 A 55 55 ALA N N 55 120.800 121.515 -0.715 1
1 492 . 19 1 1 A 56 56 GLU H H 56 7.460 8.371 -0.911 1
1 493 . 19 1 1 A 56 56 GLU HA H 56 3.880 4.038 -0.158 1
1 498 . 19 1 1 A 56 56 GLU CA C 56 59.200 59.316 -0.116 1
1 499 . 19 1 1 A 56 56 GLU CB C 56 29.500 29.174 0.326 1
1 501 . 19 1 1 A 56 56 GLU N N 56 114.800 117.497 -2.697 1
1 502 . 19 1 1 A 57 57 GLY H H 57 7.650 8.139 -0.489 1
1 503 . 19 1 1 A 57 57 GLY HA2 H 57 3.490 3.650 -0.160 1
1 504 . 19 1 1 A 57 57 GLY HA3 H 57 3.850 3.695 0.155 1
1 505 . 19 1 1 A 57 57 GLY CA C 57 47.100 47.074 0.026 1
1 506 . 19 1 1 A 57 57 GLY N N 57 106.000 109.290 -3.290 1
1 507 . 19 1 1 A 58 58 ALA H H 58 8.950 8.040 0.910 1
1 508 . 19 1 1 A 58 58 ALA HA H 58 3.640 3.713 -0.073 1
1 512 . 19 1 1 A 58 58 ALA CA C 58 54.500 54.515 -0.015 1
1 513 . 19 1 1 A 58 58 ALA CB C 58 16.700 18.527 -1.827 1
1 514 . 19 1 1 A 58 58 ALA N N 58 127.400 124.472 2.928 1
1 515 . 19 1 1 A 59 59 LEU H H 59 8.370 8.341 0.029 1
1 516 . 19 1 1 A 59 59 LEU HA H 59 3.920 3.836 0.084 1
1 526 . 19 1 1 A 59 59 LEU CA C 59 57.300 57.663 -0.363 1
1 527 . 19 1 1 A 59 59 LEU CB C 59 40.800 41.269 -0.469 1
1 531 . 19 1 1 A 59 59 LEU N N 59 116.800 118.092 -1.292 1
1 532 . 19 1 1 A 60 60 GLU H H 60 7.310 7.933 -0.623 1
1 533 . 19 1 1 A 60 60 GLU HA H 60 4.030 3.964 0.066 1
1 538 . 19 1 1 A 60 60 GLU CA C 60 58.800 59.319 -0.519 1
1 539 . 19 1 1 A 60 60 GLU CB C 60 28.900 29.438 -0.538 1
1 541 . 19 1 1 A 60 60 GLU N N 60 119.000 120.529 -1.529 1
1 542 . 19 1 1 A 61 61 LEU H H 61 7.700 7.786 -0.086 1
1 543 . 19 1 1 A 61 61 LEU HA H 61 4.000 4.021 -0.021 1
1 553 . 19 1 1 A 61 61 LEU CA C 61 58.100 57.797 0.303 1
1 554 . 19 1 1 A 61 61 LEU CB C 61 41.400 41.464 -0.064 1
1 558 . 19 1 1 A 61 61 LEU N N 61 120.800 119.726 1.074 1
1 559 . 19 1 1 A 62 62 ILE H H 62 7.510 7.567 -0.057 1
1 560 . 19 1 1 A 62 62 ILE HA H 62 4.040 3.855 0.185 1
1 570 . 19 1 1 A 62 62 ILE CA C 62 63.200 64.210 -1.010 1
1 571 . 19 1 1 A 62 62 ILE CB C 62 37.200 37.135 0.065 1
1 575 . 19 1 1 A 62 62 ILE N N 62 110.700 114.476 -3.776 1
1 576 . 19 1 1 A 63 63 LYS H H 63 7.520 8.055 -0.535 1
1 577 . 19 1 1 A 63 63 LYS HA H 63 4.070 4.082 -0.012 1
1 586 . 19 1 1 A 63 63 LYS CA C 63 58.600 58.788 -0.188 1
1 587 . 19 1 1 A 63 63 LYS CB C 63 32.800 32.054 0.746 1
1 590 . 19 1 1 A 63 63 LYS N N 63 121.100 123.361 -2.261 1
1 591 . 19 1 1 A 64 64 VAL H H 64 7.630 7.174 0.456 1
1 592 . 19 1 1 A 64 64 VAL HA H 64 3.950 3.724 0.226 1
1 600 . 19 1 1 A 64 64 VAL CA C 64 63.900 65.549 -1.649 1
1 601 . 19 1 1 A 64 64 VAL CB C 64 32.400 32.466 -0.066 1
1 604 . 19 1 1 A 64 64 VAL N N 64 115.200 119.545 -4.345 1
1 605 . 19 1 1 A 65 65 ARG H H 65 7.980 8.017 -0.037 1
1 606 . 19 1 1 A 65 65 ARG HA H 65 4.390 4.708 -0.318 1
1 613 . 19 1 1 A 65 65 ARG CA C 65 55.200 54.026 1.174 1
1 614 . 19 1 1 A 65 65 ARG CB C 65 31.500 32.113 -0.613 1
1 617 . 19 1 1 A 65 65 ARG N N 65 118.300 118.707 -0.407 1
1 618 . 19 1 1 A 66 66 ARG HA H 66 4.340 4.645 -0.305 1
1 621 . 19 1 1 A 66 66 ARG CA C 66 54.900 53.427 1.473 1
1 622 . 19 1 1 A 66 66 ARG CB C 66 29.200 30.653 -1.453 1
1 629 . 19 1 1 A 68 68 LYS HA H 68 4.100 4.481 -0.381 1
1 638 . 19 1 1 A 68 68 LYS CA C 68 57.900 54.937 2.963 1
1 639 . 19 1 1 A 68 68 LYS CB C 68 34.100 33.588 0.512 1
1 643 . 19 1 1 A 69 69 TYR HA H 69 4.760 4.173 0.587 1
1 650 . 19 1 1 A 69 69 TYR CA C 69 57.800 61.885 -4.085 1
1 651 . 19 1 1 A 69 69 TYR CB C 69 39.600 36.301 3.299 1
1 654 . 19 1 1 A 70 70 VAL H H 70 6.950 8.460 -1.510 1
1 655 . 19 1 1 A 70 70 VAL HA H 70 4.720 4.280 0.440 1
1 663 . 19 1 1 A 70 70 VAL CA C 70 60.000 62.774 -2.774 1
1 664 . 19 1 1 A 70 70 VAL CB C 70 34.500 32.633 1.867 1
1 667 . 19 1 1 A 70 70 VAL N N 70 115.400 122.464 -7.064 1
1 668 . 19 1 1 A 71 71 HIS H H 71 7.870 8.988 -1.118 1
1 669 . 19 1 1 A 71 71 HIS HA H 71 4.910 4.973 -0.063 1
1 673 . 19 1 1 A 71 71 HIS CA C 71 54.100 54.559 -0.459 1
1 674 . 19 1 1 A 71 71 HIS CB C 71 33.700 33.987 -0.287 1
1 676 . 19 1 1 A 71 71 HIS N N 71 120.600 125.399 -4.799 1
1 677 . 19 1 1 A 72 72 LYS H H 72 8.400 9.020 -0.620 1
1 678 . 19 1 1 A 72 72 LYS HA H 72 3.680 3.927 -0.247 1
1 687 . 19 1 1 A 72 72 LYS CA C 72 60.600 59.292 1.308 1
1 688 . 19 1 1 A 72 72 LYS CB C 72 32.800 32.279 0.521 1
1 692 . 19 1 1 A 73 73 GLU H H 73 9.680 8.463 1.217 1
1 693 . 19 1 1 A 73 73 GLU HA H 73 4.170 4.025 0.145 1
1 698 . 19 1 1 A 73 73 GLU CA C 73 60.000 59.534 0.466 1
1 699 . 19 1 1 A 73 73 GLU CB C 73 28.300 29.223 -0.923 1
1 701 . 19 1 1 A 73 73 GLU N N 73 117.300 119.534 -2.234 1
1 702 . 19 1 1 A 74 74 GLN H H 74 7.360 7.935 -0.575 1
1 703 . 19 1 1 A 74 74 GLN HA H 74 4.180 4.086 0.094 1
1 710 . 19 1 1 A 74 74 GLN CA C 74 58.300 58.746 -0.446 1
1 711 . 19 1 1 A 74 74 GLN CB C 74 28.300 28.484 -0.184 1
1 713 . 19 1 1 A 74 74 GLN N N 74 117.700 119.548 -1.848 1
1 715 . 19 1 1 A 75 75 ILE H H 75 7.530 7.898 -0.368 1
1 716 . 19 1 1 A 75 75 ILE HA H 75 3.780 3.826 -0.046 1
1 726 . 19 1 1 A 75 75 ILE CA C 75 64.100 65.580 -1.480 1
1 727 . 19 1 1 A 75 75 ILE CB C 75 36.800 37.306 -0.506 1
1 731 . 19 1 1 A 75 75 ILE N N 75 120.600 121.058 -0.458 1
1 732 . 19 1 1 A 76 76 GLU H H 76 8.340 8.494 -0.154 1
1 733 . 19 1 1 A 76 76 GLU HA H 76 3.970 4.031 -0.061 1
1 738 . 19 1 1 A 76 76 GLU CA C 76 59.200 59.212 -0.012 1
1 739 . 19 1 1 A 76 76 GLU CB C 76 29.700 29.668 0.032 1
1 741 . 19 1 1 A 76 76 GLU N N 76 117.500 121.257 -3.757 1
1 742 . 19 1 1 A 77 77 ALA H H 77 7.390 7.403 -0.013 1
1 743 . 19 1 1 A 77 77 ALA HA H 77 4.370 4.079 0.291 1
1 747 . 19 1 1 A 77 77 ALA CA C 77 53.400 55.074 -1.674 1
1 748 . 19 1 1 A 77 77 ALA CB C 77 18.800 18.278 0.522 1
1 749 . 19 1 1 A 77 77 ALA N N 77 118.600 122.356 -3.756 1
1 750 . 19 1 1 A 78 78 VAL H H 78 7.620 8.182 -0.562 1
1 751 . 19 1 1 A 78 78 VAL HA H 78 3.720 3.523 0.197 1
1 759 . 19 1 1 A 78 78 VAL CA C 78 66.700 67.181 -0.481 1
1 760 . 19 1 1 A 78 78 VAL CB C 78 31.500 31.630 -0.130 1
1 763 . 19 1 1 A 78 78 VAL N N 78 116.800 118.597 -1.797 1
1 764 . 19 1 1 A 79 79 LYS H H 79 8.570 7.927 0.643 1
1 765 . 19 1 1 A 79 79 LYS HA H 79 3.780 4.075 -0.295 1
1 774 . 19 1 1 A 79 79 LYS CA C 79 61.800 59.930 1.870 1
1 775 . 19 1 1 A 79 79 LYS CB C 79 31.500 32.551 -1.051 1
1 779 . 19 1 1 A 79 79 LYS N N 79 119.500 120.172 -0.672 1
1 780 . 19 1 1 A 80 80 ASP H H 80 8.350 8.173 0.177 1
1 781 . 19 1 1 A 80 80 ASP HA H 80 4.490 4.454 0.036 1
1 784 . 19 1 1 A 80 80 ASP CA C 80 57.300 57.203 0.097 1
1 785 . 19 1 1 A 80 80 ASP CB C 80 40.000 40.731 -0.731 1
1 786 . 19 1 1 A 80 80 ASP N N 80 115.500 120.023 -4.523 1
1 787 . 19 1 1 A 81 81 ASN H H 81 7.690 8.532 -0.842 1
1 788 . 19 1 1 A 81 81 ASN HA H 81 4.540 4.362 0.178 1
1 793 . 19 1 1 A 81 81 ASN CA C 81 55.500 56.545 -1.045 1
1 794 . 19 1 1 A 81 81 ASN CB C 81 38.600 38.255 0.345 1
1 795 . 19 1 1 A 81 81 ASN N N 81 118.300 118.705 -0.405 1
1 797 . 19 1 1 A 82 82 PHE H H 82 9.620 8.371 1.249 1
1 798 . 19 1 1 A 82 82 PHE HA H 82 4.060 4.059 0.001 1
1 806 . 19 1 1 A 82 82 PHE CA C 82 60.900 61.304 -0.404 1
1 807 . 19 1 1 A 82 82 PHE CB C 82 39.500 39.330 0.170 1
1 811 . 19 1 1 A 82 82 PHE N N 82 121.400 122.897 -1.497 1
1 812 . 19 1 1 A 83 83 LEU H H 83 8.210 8.067 0.143 1
1 813 . 19 1 1 A 83 83 LEU HA H 83 3.900 3.742 0.158 1
1 823 . 19 1 1 A 83 83 LEU CA C 83 57.000 58.113 -1.113 1
1 824 . 19 1 1 A 83 83 LEU CB C 83 40.400 41.333 -0.933 1
1 828 . 19 1 1 A 83 83 LEU N N 83 117.400 119.761 -2.361 1
1 829 . 19 1 1 A 84 84 GLU H H 84 7.660 8.072 -0.412 1
1 830 . 19 1 1 A 84 84 GLU HA H 84 4.150 4.022 0.128 1
1 835 . 19 1 1 A 84 84 GLU CA C 84 59.500 59.239 0.261 1
1 836 . 19 1 1 A 84 84 GLU CB C 84 28.700 29.530 -0.830 1
1 838 . 19 1 1 A 84 84 GLU N N 84 121.500 117.459 4.041 1
1 839 . 19 1 1 A 85 85 LEU H H 85 8.100 8.014 0.086 1
1 840 . 19 1 1 A 85 85 LEU HA H 85 3.600 3.888 -0.288 1
1 850 . 19 1 1 A 85 85 LEU CA C 85 59.300 58.271 1.029 1
1 851 . 19 1 1 A 85 85 LEU CB C 85 41.800 41.451 0.349 1
1 855 . 19 1 1 A 85 85 LEU N N 85 121.700 122.577 -0.877 1
1 856 . 19 1 1 A 86 86 VAL H H 86 8.220 7.765 0.455 1
1 857 . 19 1 1 A 86 86 VAL HA H 86 3.100 3.333 -0.233 1
1 865 . 19 1 1 A 86 86 VAL CA C 86 67.200 66.681 0.519 1
1 866 . 19 1 1 A 86 86 VAL CB C 86 31.500 31.052 0.448 1
1 869 . 19 1 1 A 86 86 VAL N N 86 118.400 119.018 -0.618 1
1 870 . 19 1 1 A 87 87 LEU H H 87 8.450 8.061 0.389 1
1 871 . 19 1 1 A 87 87 LEU HA H 87 3.960 3.999 -0.039 1
1 881 . 19 1 1 A 87 87 LEU CA C 87 59.100 58.586 0.514 1
1 882 . 19 1 1 A 87 87 LEU CB C 87 42.300 41.651 0.649 1
1 886 . 19 1 1 A 87 87 LEU N N 87 120.200 119.956 0.244 1
1 887 . 19 1 1 A 88 88 GLN H H 88 9.350 8.923 0.427 1
1 888 . 19 1 1 A 88 88 GLN HA H 88 4.180 4.116 0.064 1
1 895 . 19 1 1 A 88 88 GLN CA C 88 57.300 58.039 -0.739 1
1 896 . 19 1 1 A 88 88 GLN CB C 88 25.400 27.145 -1.745 1
1 898 . 19 1 1 A 88 88 GLN N N 88 114.900 117.484 -2.584 1
1 900 . 19 1 1 A 89 89 SER H H 89 8.680 7.767 0.913 1
1 901 . 19 1 1 A 89 89 SER HA H 89 4.080 4.018 0.062 1
1 904 . 19 1 1 A 89 89 SER CA C 89 61.900 62.148 -0.248 1
1 905 . 19 1 1 A 89 89 SER CB C 89 62.200 63.062 -0.862 1
1 906 . 19 1 1 A 89 89 SER N N 89 117.500 117.777 -0.277 1
1 907 . 19 1 1 A 90 90 TYR H H 90 7.330 7.004 0.326 1
1 908 . 19 1 1 A 90 90 TYR HA H 90 4.320 3.424 0.896 1
1 915 . 19 1 1 A 90 90 TYR CA C 90 59.700 59.750 -0.050 1
1 916 . 19 1 1 A 90 90 TYR CB C 90 41.400 38.531 2.869 1
1 919 . 19 1 1 A 90 90 TYR N N 90 116.000 119.592 -3.592 1
1 920 . 19 1 1 A 91 91 VAL H H 91 7.730 7.428 0.302 1
1 921 . 19 1 1 A 91 91 VAL HA H 91 4.010 3.833 0.177 1
1 929 . 19 1 1 A 91 91 VAL CA C 91 62.600 64.125 -1.525 1
1 930 . 19 1 1 A 91 91 VAL CB C 91 32.700 32.403 0.297 1
1 933 . 19 1 1 A 91 91 VAL N N 91 110.500 114.898 -4.398 1
1 934 . 19 1 1 A 92 92 HIS H H 92 8.600 7.596 1.004 1
1 935 . 19 1 1 A 92 92 HIS HA H 92 4.280 4.322 -0.042 1
1 939 . 19 1 1 A 92 92 HIS CA C 92 56.000 56.948 -0.948 1
1 940 . 19 1 1 A 92 92 HIS CB C 92 29.200 26.514 2.686 1
1 942 . 19 1 1 A 92 92 HIS N N 92 114.500 115.941 -1.441 1
1 943 . 19 1 1 A 93 93 HIS H H 93 8.350 7.888 0.462 1
1 944 . 19 1 1 A 93 93 HIS HA H 93 4.780 4.548 0.232 1
1 948 . 19 1 1 A 93 93 HIS CA C 93 57.600 54.267 3.333 1
1 949 . 19 1 1 A 93 93 HIS CB C 93 31.900 28.755 3.145 1
1 951 . 19 1 1 A 93 93 HIS N N 93 118.200 118.188 0.012 1
1 952 . 19 1 1 A 94 94 ILE H H 94 7.470 7.430 0.040 1
1 953 . 19 1 1 A 94 94 ILE HA H 94 4.370 4.437 -0.067 1
1 963 . 19 1 1 A 94 94 ILE CA C 94 60.900 59.488 1.412 1
1 964 . 19 1 1 A 94 94 ILE CB C 94 39.600 41.936 -2.336 1
1 968 . 19 1 1 A 94 94 ILE N N 94 111.400 123.219 -11.819 1
1 969 . 19 1 1 A 95 95 HIS H H 95 6.990 8.799 -1.809 1
1 970 . 19 1 1 A 96 96 LYS HA H 96 4.040 4.509 -0.469 1
1 977 . 19 1 1 A 97 97 LYS HA H 97 4.130 4.039 0.091 1
1 986 . 19 1 1 A 97 97 LYS CA C 97 59.400 59.531 -0.131 1
1 987 . 19 1 1 A 97 97 LYS CB C 97 32.000 32.183 -0.183 1
1 991 . 19 1 1 A 98 98 ARG H H 98 7.150 7.907 -0.757 1
1 992 . 19 1 1 A 98 98 ARG HA H 98 4.150 4.084 0.066 1
1 999 . 19 1 1 A 98 98 ARG CA C 98 57.900 58.977 -1.077 1
1 1000 . 19 1 1 A 98 98 ARG CB C 98 28.600 30.065 -1.465 1
1 1003 . 19 1 1 A 98 98 ARG N N 98 118.500 118.897 -0.397 1
1 1004 . 19 1 1 A 99 99 PHE H H 99 8.260 8.033 0.227 1
1 1005 . 19 1 1 A 99 99 PHE HA H 99 3.450 4.064 -0.614 1
1 1013 . 19 1 1 A 99 99 PHE CA C 99 62.700 61.001 1.699 1
1 1014 . 19 1 1 A 99 99 PHE CB C 99 39.200 38.921 0.279 1
1 1018 . 19 1 1 A 99 99 PHE N N 99 119.100 122.207 -3.107 1
1 1019 . 19 1 1 A 100 100 LYS H H 100 8.500 8.008 0.492 1
1 1020 . 19 1 1 A 100 100 LYS HA H 100 3.980 3.830 0.150 1
1 1029 . 19 1 1 A 100 100 LYS CA C 100 59.300 60.086 -0.786 1
1 1030 . 19 1 1 A 100 100 LYS CB C 100 31.900 32.561 -0.661 1
1 1034 . 19 1 1 A 100 100 LYS N N 100 121.700 118.599 3.101 1
1 1035 . 19 1 1 A 101 101 ASP H H 101 8.150 8.656 -0.506 1
1 1036 . 19 1 1 A 101 101 ASP HA H 101 4.290 4.297 -0.007 1
1 1039 . 19 1 1 A 101 101 ASP CA C 101 57.300 57.828 -0.528 1
1 1040 . 19 1 1 A 101 101 ASP CB C 101 39.900 41.965 -2.065 1
1 1041 . 19 1 1 A 101 101 ASP N N 101 119.800 119.412 0.388 1
1 1042 . 19 1 1 A 102 102 ILE H H 102 8.220 7.751 0.469 1
1 1043 . 19 1 1 A 102 102 ILE HA H 102 3.690 3.677 0.013 1
1 1053 . 19 1 1 A 102 102 ILE CA C 102 65.000 65.161 -0.161 1
1 1054 . 19 1 1 A 102 102 ILE CB C 102 37.700 37.792 -0.092 1
1 1058 . 19 1 1 A 102 102 ILE N N 102 118.800 119.048 -0.248 1
1 1059 . 19 1 1 A 103 103 THR H H 103 7.930 7.958 -0.028 1
1 1060 . 19 1 1 A 103 103 THR HA H 103 3.480 3.731 -0.251 1
1 1066 . 19 1 1 A 103 103 THR CA C 103 67.300 67.100 0.200 1
1 1067 . 19 1 1 A 103 103 THR CB C 103 67.700 68.111 -0.411 1
1 1069 . 19 1 1 A 103 103 THR N N 103 117.900 117.551 0.349 1
1 1070 . 19 1 1 A 104 104 GLU H H 104 8.470 8.654 -0.184 1
1 1071 . 19 1 1 A 104 104 GLU HA H 104 3.920 3.940 -0.020 1
1 1076 . 19 1 1 A 104 104 GLU CA C 104 59.500 59.816 -0.316 1
1 1077 . 19 1 1 A 104 104 GLU CB C 104 29.200 29.452 -0.252 1
1 1079 . 19 1 1 A 104 104 GLU N N 104 118.900 120.358 -1.458 1
1 1080 . 19 1 1 A 105 105 SER H H 105 7.840 8.582 -0.742 1
1 1081 . 19 1 1 A 105 105 SER HA H 105 4.290 4.162 0.128 1
1 1084 . 19 1 1 A 105 105 SER CA C 105 60.900 61.340 -0.440 1
1 1085 . 19 1 1 A 105 105 SER CB C 105 62.700 62.301 0.399 1
1 1086 . 19 1 1 A 105 105 SER N N 105 114.200 114.841 -0.641 1
1 1087 . 19 1 1 A 106 106 VAL H H 106 8.290 7.800 0.490 1
1 1088 . 19 1 1 A 106 106 VAL HA H 106 3.690 3.632 0.058 1
1 1096 . 19 1 1 A 106 106 VAL CA C 106 66.300 66.897 -0.597 1
1 1097 . 19 1 1 A 106 106 VAL CB C 106 31.900 31.713 0.187 1
1 1100 . 19 1 1 A 106 106 VAL N N 106 122.100 122.275 -0.175 1
1 1101 . 19 1 1 A 107 107 LEU H H 107 8.560 8.554 0.006 1
1 1102 . 19 1 1 A 107 107 LEU HA H 107 3.900 3.934 -0.034 1
1 1112 . 19 1 1 A 107 107 LEU CA C 107 58.300 58.103 0.197 1
1 1113 . 19 1 1 A 107 107 LEU CB C 107 41.200 41.579 -0.379 1
1 1117 . 19 1 1 A 107 107 LEU N N 107 117.500 118.285 -0.785 1
1 1118 . 19 1 1 A 108 108 TYR H H 108 8.450 8.835 -0.385 1
1 1119 . 19 1 1 A 108 108 TYR HA H 108 4.170 4.088 0.082 1
1 1126 . 19 1 1 A 108 108 TYR CA C 108 61.800 61.949 -0.149 1
1 1127 . 19 1 1 A 108 108 TYR CB C 108 37.900 38.474 -0.574 1
1 1130 . 19 1 1 A 108 108 TYR N N 108 119.000 119.616 -0.616 1
1 1131 . 19 1 1 A 109 109 THR H H 109 7.800 8.085 -0.285 1
1 1132 . 19 1 1 A 109 109 THR HA H 109 3.860 4.299 -0.439 1
1 1137 . 19 1 1 A 109 109 THR CA C 109 66.800 67.303 -0.503 1
1 1138 . 19 1 1 A 109 109 THR CB C 109 67.800 68.136 -0.336 1
1 1140 . 19 1 1 A 109 109 THR N N 109 116.500 115.027 1.473 1
1 1141 . 19 1 1 A 110 110 LEU H H 110 8.510 8.727 -0.217 1
1 1142 . 19 1 1 A 110 110 LEU HA H 110 3.900 4.038 -0.138 1
1 1152 . 19 1 1 A 110 110 LEU CA C 110 58.500 57.977 0.523 1
1 1153 . 19 1 1 A 110 110 LEU CB C 110 41.300 41.284 0.016 1
1 1157 . 19 1 1 A 110 110 LEU N N 110 121.000 121.267 -0.267 1
1 1158 . 19 1 1 A 111 111 HIS H H 111 8.440 8.336 0.104 1
1 1159 . 19 1 1 A 111 111 HIS HA H 111 4.000 4.273 -0.273 1
1 1163 . 19 1 1 A 111 111 HIS CA C 111 60.900 60.286 0.614 1
1 1164 . 19 1 1 A 111 111 HIS CB C 111 29.700 29.369 0.331 1
1 1166 . 19 1 1 A 111 111 HIS N N 111 116.300 117.813 -1.513 1
1 1167 . 19 1 1 A 112 112 ALA H H 112 7.920 7.762 0.158 1
1 1168 . 19 1 1 A 112 112 ALA HA H 112 4.130 3.958 0.172 1
1 1172 . 19 1 1 A 112 112 ALA CA C 112 55.000 55.103 -0.103 1
1 1173 . 19 1 1 A 112 112 ALA CB C 112 17.600 18.373 -0.773 1
1 1174 . 19 1 1 A 112 112 ALA N N 112 122.900 122.375 0.525 1
1 1175 . 19 1 1 A 113 113 VAL H H 113 8.300 8.020 0.280 1
1 1176 . 19 1 1 A 113 113 VAL HA H 113 3.540 3.720 -0.180 1
1 1184 . 19 1 1 A 113 113 VAL CA C 113 67.200 66.391 0.809 1
1 1185 . 19 1 1 A 113 113 VAL CB C 113 31.000 31.719 -0.719 1
1 1188 . 19 1 1 A 113 113 VAL N N 113 119.000 118.050 0.950 1
1 1189 . 19 1 1 A 114 114 LYS H H 114 8.220 8.546 -0.326 1
1 1190 . 19 1 1 A 114 114 LYS HA H 114 3.810 3.952 -0.142 1
1 1199 . 19 1 1 A 114 114 LYS CA C 114 60.800 59.514 1.286 1
1 1200 . 19 1 1 A 114 114 LYS CB C 114 31.500 32.189 -0.689 1
1 1204 . 19 1 1 A 114 114 LYS N N 114 120.600 120.687 -0.087 1
1 1205 . 19 1 1 A 115 115 ASP H H 115 8.180 7.935 0.245 1
1 1206 . 19 1 1 A 115 115 ASP HA H 115 4.300 4.325 -0.025 1
1 1209 . 19 1 1 A 115 115 ASP CA C 115 56.800 57.692 -0.892 1
1 1210 . 19 1 1 A 115 115 ASP CB C 115 39.600 41.390 -1.790 1
1 1211 . 19 1 1 A 115 115 ASP N N 115 118.800 118.579 0.221 1
1 1212 . 19 1 1 A 116 116 GLU H H 116 7.990 7.734 0.256 1
1 1213 . 19 1 1 A 116 116 GLU HA H 116 4.060 4.143 -0.083 1
1 1218 . 19 1 1 A 116 116 GLU CA C 116 58.400 59.059 -0.659 1
1 1219 . 19 1 1 A 116 116 GLU CB C 116 29.000 29.520 -0.520 1
1 1221 . 19 1 1 A 116 116 GLU N N 116 120.800 119.007 1.793 1
1 1222 . 19 1 1 A 117 117 ILE H H 117 8.370 8.267 0.103 1
1 1223 . 19 1 1 A 117 117 ILE HA H 117 3.610 3.667 -0.057 1
1 1233 . 19 1 1 A 117 117 ILE CA C 117 64.800 65.660 -0.860 1
1 1234 . 19 1 1 A 117 117 ILE CB C 117 38.600 37.834 0.766 1
1 1238 . 19 1 1 A 117 117 ILE N N 117 119.700 120.346 -0.646 1
1 1239 . 19 1 1 A 118 118 ALA H H 118 7.720 8.046 -0.326 1
1 1240 . 19 1 1 A 118 118 ALA HA H 118 4.250 4.073 0.177 1
1 1244 . 19 1 1 A 118 118 ALA CA C 118 52.900 55.006 -2.106 1
1 1245 . 19 1 1 A 118 118 ALA CB C 118 18.700 18.163 0.537 1
1 1246 . 19 1 1 A 118 118 ALA N N 118 119.900 122.246 -2.346 1
1 1247 . 19 1 1 A 119 119 ARG H H 119 7.450 8.076 -0.626 1
1 1248 . 19 1 1 A 119 119 ARG HA H 119 4.110 4.004 0.106 1
1 1255 . 19 1 1 A 119 119 ARG CA C 119 57.600 59.578 -1.978 1
1 1256 . 19 1 1 A 119 119 ARG CB C 119 31.000 29.750 1.250 1
1 1259 . 19 1 1 A 119 119 ARG N N 119 118.400 118.964 -0.564 1
1 1260 . 19 1 1 A 120 120 GLU H H 120 8.890 8.327 0.563 1
1 1261 . 19 1 1 A 120 120 GLU HA H 120 4.280 4.192 0.088 1
1 1266 . 19 1 1 A 120 120 GLU CA C 120 57.600 58.509 -0.909 1
1 1267 . 19 1 1 A 120 120 GLU CB C 120 30.100 30.064 0.036 1
1 1269 . 19 1 1 A 120 120 GLU N N 120 114.900 118.095 -3.195 1
1 1 . 20 1 1 A 6 6 LEU HA H 6 4.230 4.601 -0.371 1
1 11 . 20 1 1 A 6 6 LEU CA C 6 58.000 54.044 3.956 1
1 12 . 20 1 1 A 6 6 LEU CB C 6 40.900 44.745 -3.845 1
1 16 . 20 1 1 A 7 7 LEU H H 7 8.970 7.748 1.222 1
1 17 . 20 1 1 A 7 7 LEU HA H 7 3.970 4.142 -0.172 1
1 27 . 20 1 1 A 7 7 LEU CA C 7 58.500 57.855 0.645 1
1 28 . 20 1 1 A 7 7 LEU CB C 7 41.000 41.778 -0.778 1
1 32 . 20 1 1 A 7 7 LEU N N 7 124.300 120.499 3.801 1
1 33 . 20 1 1 A 8 8 GLU H H 8 7.910 7.764 0.146 1
1 34 . 20 1 1 A 8 8 GLU HA H 8 4.040 4.061 -0.021 1
1 39 . 20 1 1 A 8 8 GLU CA C 8 59.500 59.173 0.327 1
1 40 . 20 1 1 A 8 8 GLU CB C 8 29.200 29.142 0.058 1
1 42 . 20 1 1 A 8 8 GLU N N 8 119.000 117.571 1.429 1
1 43 . 20 1 1 A 9 9 MET H H 9 8.520 8.135 0.385 1
1 44 . 20 1 1 A 9 9 MET HA H 9 4.030 4.246 -0.216 1
1 52 . 20 1 1 A 9 9 MET CA C 9 59.900 58.241 1.659 1
1 53 . 20 1 1 A 9 9 MET CB C 9 36.000 33.503 2.497 1
1 56 . 20 1 1 A 9 9 MET N N 9 117.500 119.257 -1.757 1
1 57 . 20 1 1 A 10 10 THR H H 10 8.470 7.011 1.459 1
1 58 . 20 1 1 A 10 10 THR HA H 10 3.550 3.577 -0.027 1
1 64 . 20 1 1 A 10 10 THR CA C 10 67.200 68.605 -1.405 1
1 65 . 20 1 1 A 10 10 THR CB C 10 68.500 67.587 0.913 1
1 67 . 20 1 1 A 10 10 THR N N 10 116.600 115.893 0.707 1
1 68 . 20 1 1 A 11 11 GLU H H 11 8.500 8.773 -0.273 1
1 69 . 20 1 1 A 11 11 GLU HA H 11 3.910 3.839 0.071 1
1 74 . 20 1 1 A 11 11 GLU CA C 11 59.400 59.828 -0.428 1
1 75 . 20 1 1 A 11 11 GLU CB C 11 29.200 29.199 0.001 1
1 77 . 20 1 1 A 11 11 GLU N N 11 119.400 119.645 -0.245 1
1 78 . 20 1 1 A 12 12 GLN H H 12 8.140 8.107 0.033 1
1 79 . 20 1 1 A 12 12 GLN HA H 12 4.100 4.059 0.041 1
1 86 . 20 1 1 A 12 12 GLN CA C 12 59.000 58.611 0.389 1
1 87 . 20 1 1 A 12 12 GLN CB C 12 27.800 28.329 -0.529 1
1 89 . 20 1 1 A 12 12 GLN N N 12 120.400 119.716 0.684 1
1 91 . 20 1 1 A 13 13 MET H H 13 8.120 7.794 0.326 1
1 92 . 20 1 1 A 13 13 MET HA H 13 3.710 4.046 -0.336 1
1 100 . 20 1 1 A 13 13 MET CA C 13 59.600 58.014 1.586 1
1 101 . 20 1 1 A 13 13 MET CB C 13 33.300 31.610 1.690 1
1 104 . 20 1 1 A 13 13 MET N N 13 118.500 118.610 -0.110 1
1 105 . 20 1 1 A 14 14 ILE H H 14 8.040 8.261 -0.221 1
1 106 . 20 1 1 A 14 14 ILE HA H 14 3.270 3.402 -0.132 1
1 116 . 20 1 1 A 14 14 ILE CA C 14 65.700 64.927 0.773 1
1 117 . 20 1 1 A 14 14 ILE CB C 14 38.000 37.560 0.440 1
1 121 . 20 1 1 A 14 14 ILE N N 14 119.400 119.806 -0.406 1
1 122 . 20 1 1 A 15 15 GLU H H 15 7.700 8.060 -0.360 1
1 123 . 20 1 1 A 15 15 GLU HA H 15 4.110 3.940 0.170 1
1 128 . 20 1 1 A 15 15 GLU CA C 15 59.300 59.274 0.026 1
1 129 . 20 1 1 A 15 15 GLU CB C 15 29.200 29.779 -0.579 1
1 131 . 20 1 1 A 15 15 GLU N N 15 119.000 121.312 -2.312 1
1 132 . 20 1 1 A 16 16 VAL H H 16 8.410 8.401 0.009 1
1 133 . 20 1 1 A 16 16 VAL HA H 16 3.530 3.654 -0.124 1
1 141 . 20 1 1 A 16 16 VAL CA C 16 66.600 66.389 0.211 1
1 142 . 20 1 1 A 16 16 VAL CB C 16 31.900 31.588 0.312 1
1 145 . 20 1 1 A 16 16 VAL N N 16 119.500 119.882 -0.382 1
1 146 . 20 1 1 A 17 17 ALA H H 17 8.600 8.214 0.386 1
1 147 . 20 1 1 A 17 17 ALA HA H 17 4.080 4.039 0.041 1
1 151 . 20 1 1 A 17 17 ALA CA C 17 54.700 55.839 -1.139 1
1 152 . 20 1 1 A 17 17 ALA CB C 17 17.700 18.347 -0.647 1
1 153 . 20 1 1 A 17 17 ALA N N 17 123.100 121.968 1.132 1
1 154 . 20 1 1 A 18 18 GLU H H 18 8.850 8.312 0.538 1
1 155 . 20 1 1 A 18 18 GLU HA H 18 3.990 3.994 -0.004 1
1 160 . 20 1 1 A 18 18 GLU CA C 18 59.500 59.719 -0.219 1
1 161 . 20 1 1 A 18 18 GLU CB C 18 29.700 29.145 0.555 1
1 163 . 20 1 1 A 18 18 GLU N N 18 117.900 118.739 -0.839 1
1 164 . 20 1 1 A 19 19 LYS H H 19 8.750 8.460 0.290 1
1 165 . 20 1 1 A 19 19 LYS HA H 19 4.150 4.108 0.042 1
1 174 . 20 1 1 A 19 19 LYS CA C 19 58.700 58.622 0.078 1
1 175 . 20 1 1 A 19 19 LYS CB C 19 31.900 32.239 -0.339 1
1 179 . 20 1 1 A 19 19 LYS N N 19 119.200 118.419 0.781 1
1 180 . 20 1 1 A 20 20 GLY H H 20 8.640 8.616 0.024 1
1 181 . 20 1 1 A 20 20 GLY HA2 H 20 3.790 3.874 -0.084 1
1 182 . 20 1 1 A 20 20 GLY HA3 H 20 3.500 3.879 -0.379 1
1 183 . 20 1 1 A 20 20 GLY CA C 20 46.400 47.163 -0.763 1
1 184 . 20 1 1 A 20 20 GLY N N 20 110.300 108.402 1.898 1
1 185 . 20 1 1 A 21 21 ALA H H 21 8.550 7.971 0.579 1
1 186 . 20 1 1 A 21 21 ALA HA H 21 4.490 4.465 0.025 1
1 190 . 20 1 1 A 21 21 ALA CA C 21 55.100 54.827 0.273 1
1 191 . 20 1 1 A 21 21 ALA CB C 21 17.300 19.028 -1.728 1
1 192 . 20 1 1 A 21 21 ALA N N 21 125.300 124.959 0.341 1
1 193 . 20 1 1 A 22 22 ASP H H 22 7.660 8.306 -0.646 1
1 194 . 20 1 1 A 22 22 ASP HA H 22 4.460 4.423 0.037 1
1 197 . 20 1 1 A 22 22 ASP CA C 22 56.900 57.339 -0.439 1
1 198 . 20 1 1 A 22 22 ASP CB C 22 40.500 41.625 -1.125 1
1 199 . 20 1 1 A 22 22 ASP N N 22 119.000 118.046 0.954 1
1 200 . 20 1 1 A 23 23 ARG H H 23 8.110 8.435 -0.325 1
1 201 . 20 1 1 A 23 23 ARG HA H 23 4.000 3.995 0.005 1
1 208 . 20 1 1 A 23 23 ARG CA C 23 59.200 59.172 0.028 1
1 209 . 20 1 1 A 23 23 ARG CB C 23 30.700 29.756 0.944 1
1 212 . 20 1 1 A 23 23 ARG N N 23 121.800 120.074 1.726 1
1 213 . 20 1 1 A 24 24 TYR H H 24 8.460 8.299 0.161 1
1 214 . 20 1 1 A 24 24 TYR HA H 24 3.780 3.950 -0.170 1
1 221 . 20 1 1 A 24 24 TYR CA C 24 60.900 61.858 -0.958 1
1 222 . 20 1 1 A 24 24 TYR CB C 24 39.400 38.028 1.372 1
1 225 . 20 1 1 A 24 24 TYR N N 24 120.400 120.463 -0.063 1
1 226 . 20 1 1 A 25 25 GLN H H 25 7.540 8.378 -0.838 1
1 227 . 20 1 1 A 25 25 GLN HA H 25 3.750 3.825 -0.075 1
1 232 . 20 1 1 A 25 25 GLN CA C 25 57.800 59.350 -1.550 1
1 233 . 20 1 1 A 25 25 GLN CB C 25 28.400 28.346 0.054 1
1 235 . 20 1 1 A 25 25 GLN N N 25 117.500 118.748 -1.248 1
1 236 . 20 1 1 A 26 26 GLU H H 26 7.980 7.765 0.215 1
1 237 . 20 1 1 A 26 26 GLU HA H 26 4.010 4.178 -0.168 1
1 242 . 20 1 1 A 26 26 GLU CA C 26 57.900 58.466 -0.566 1
1 243 . 20 1 1 A 26 26 GLU CB C 26 29.700 29.933 -0.233 1
1 245 . 20 1 1 A 26 26 GLU N N 26 117.900 119.434 -1.534 1
1 246 . 20 1 1 A 32 32 HIS HA H 32 4.620 4.920 -0.300 1
1 249 . 20 1 1 A 32 32 HIS CA C 32 56.900 54.133 2.767 1
1 250 . 20 1 1 A 32 32 HIS CB C 32 64.000 28.636 35.364 1
1 251 . 20 1 1 A 33 33 SER HA H 33 4.610 4.311 0.299 1
1 254 . 20 1 1 A 33 33 SER CA C 33 56.900 57.991 -1.091 1
1 255 . 20 1 1 A 33 33 SER CB C 33 64.000 63.958 0.042 1
1 256 . 20 1 1 A 34 34 TYR HA H 34 4.630 4.738 -0.108 1
1 263 . 20 1 1 A 34 34 TYR CA C 34 56.900 56.271 0.629 1
1 264 . 20 1 1 A 34 34 TYR CB C 34 40.700 37.268 3.432 1
1 267 . 20 1 1 A 36 36 PHE HA H 36 3.910 4.185 -0.275 1
1 275 . 20 1 1 A 36 36 PHE CA C 36 62.000 59.049 2.951 1
1 276 . 20 1 1 A 36 36 PHE CB C 36 39.200 38.325 0.875 1
1 280 . 20 1 1 A 37 37 PHE H H 37 8.090 8.093 -0.003 1
1 281 . 20 1 1 A 37 37 PHE HA H 37 3.980 4.785 -0.805 1
1 289 . 20 1 1 A 37 37 PHE CA C 37 61.600 58.838 2.762 1
1 290 . 20 1 1 A 37 37 PHE CB C 37 38.600 41.598 -2.998 1
1 294 . 20 1 1 A 37 37 PHE N N 37 116.200 118.863 -2.663 1
1 295 . 20 1 1 A 38 38 GLU H H 38 9.000 8.774 0.226 1
1 296 . 20 1 1 A 38 38 GLU HA H 38 4.130 3.934 0.196 1
1 301 . 20 1 1 A 38 38 GLU CA C 38 57.700 59.036 -1.336 1
1 302 . 20 1 1 A 38 38 GLU CB C 38 30.600 29.266 1.334 1
1 304 . 20 1 1 A 38 38 GLU N N 38 116.000 118.659 -2.659 1
1 305 . 20 1 1 A 39 39 THR H H 39 7.390 7.835 -0.445 1
1 306 . 20 1 1 A 39 39 THR HA H 39 4.280 4.343 -0.063 1
1 311 . 20 1 1 A 39 39 THR CA C 39 64.100 64.058 0.042 1
1 312 . 20 1 1 A 39 39 THR CB C 39 70.000 69.782 0.218 1
1 314 . 20 1 1 A 39 39 THR N N 39 110.400 113.409 -3.009 1
1 315 . 20 1 1 A 40 40 ILE H H 40 7.250 7.554 -0.304 1
1 316 . 20 1 1 A 40 40 ILE HA H 40 2.570 3.771 -1.201 1
1 326 . 20 1 1 A 40 40 ILE CA C 40 65.800 60.915 4.885 1
1 327 . 20 1 1 A 40 40 ILE CB C 40 37.300 35.465 1.835 1
1 331 . 20 1 1 A 40 40 ILE N N 40 120.900 120.005 0.895 1
1 332 . 20 1 1 A 41 41 LYS H H 41 8.400 8.002 0.398 1
1 333 . 20 1 1 A 41 41 LYS HA H 41 3.650 4.410 -0.760 1
1 336 . 20 1 1 A 41 41 LYS CA C 41 59.000 57.549 1.451 1
1 337 . 20 1 1 A 41 41 LYS CB C 41 29.700 34.150 -4.450 1
1 338 . 20 1 1 A 41 41 LYS N N 41 118.800 126.749 -7.949 1
1 339 . 20 1 1 A 42 42 PRO HA H 42 4.280 4.240 0.040 1
1 346 . 20 1 1 A 42 42 PRO CA C 42 65.300 66.188 -0.888 1
1 347 . 20 1 1 A 42 42 PRO CB C 42 30.200 30.699 -0.499 1
1 350 . 20 1 1 A 43 43 ALA H H 43 6.790 8.149 -1.359 1
1 351 . 20 1 1 A 43 43 ALA HA H 43 4.190 4.032 0.158 1
1 355 . 20 1 1 A 43 43 ALA CA C 43 54.900 55.259 -0.359 1
1 356 . 20 1 1 A 43 43 ALA CB C 43 18.000 18.430 -0.430 1
1 357 . 20 1 1 A 43 43 ALA N N 43 119.500 118.887 0.613 1
1 358 . 20 1 1 A 44 44 VAL H H 44 8.380 7.874 0.506 1
1 359 . 20 1 1 A 44 44 VAL HA H 44 3.460 3.436 0.024 1
1 367 . 20 1 1 A 44 44 VAL CA C 44 67.200 66.663 0.537 1
1 368 . 20 1 1 A 44 44 VAL CB C 44 31.500 31.473 0.027 1
1 371 . 20 1 1 A 44 44 VAL N N 44 120.500 117.966 2.534 1
1 372 . 20 1 1 A 45 45 GLU H H 45 8.410 8.188 0.222 1
1 373 . 20 1 1 A 45 45 GLU HA H 45 4.060 3.909 0.151 1
1 378 . 20 1 1 A 45 45 GLU CA C 45 59.600 59.936 -0.336 1
1 379 . 20 1 1 A 45 45 GLU CB C 45 29.300 29.714 -0.414 1
1 381 . 20 1 1 A 45 45 GLU N N 45 118.400 118.610 -0.210 1
1 382 . 20 1 1 A 46 46 GLU H H 46 8.390 8.156 0.234 1
1 383 . 20 1 1 A 46 46 GLU HA H 46 4.200 4.104 0.096 1
1 388 . 20 1 1 A 46 46 GLU CA C 46 58.900 58.931 -0.031 1
1 389 . 20 1 1 A 46 46 GLU CB C 46 29.300 29.162 0.138 1
1 391 . 20 1 1 A 46 46 GLU N N 46 118.800 120.798 -1.998 1
1 392 . 20 1 1 A 47 47 ASN H H 47 7.700 8.388 -0.688 1
1 393 . 20 1 1 A 47 47 ASN HA H 47 4.900 4.722 0.178 1
1 398 . 20 1 1 A 47 47 ASN CA C 47 57.100 55.936 1.164 1
1 399 . 20 1 1 A 47 47 ASN CB C 47 39.000 38.040 0.960 1
1 400 . 20 1 1 A 47 47 ASN N N 47 118.000 119.093 -1.093 1
1 402 . 20 1 1 A 48 48 ASP H H 48 8.810 8.649 0.161 1
1 403 . 20 1 1 A 48 48 ASP HA H 48 4.520 4.340 0.180 1
1 406 . 20 1 1 A 48 48 ASP CA C 48 57.800 57.562 0.238 1
1 407 . 20 1 1 A 48 48 ASP CB C 48 41.700 41.950 -0.250 1
1 408 . 20 1 1 A 48 48 ASP N N 48 124.000 119.223 4.777 1
1 409 . 20 1 1 A 49 49 GLU H H 49 7.310 7.871 -0.561 1
1 410 . 20 1 1 A 49 49 GLU HA H 49 4.070 4.112 -0.042 1
1 415 . 20 1 1 A 49 49 GLU CA C 49 59.500 59.133 0.367 1
1 416 . 20 1 1 A 49 49 GLU CB C 49 29.300 29.241 0.059 1
1 418 . 20 1 1 A 49 49 GLU N N 49 117.600 117.978 -0.378 1
1 419 . 20 1 1 A 50 50 LEU H H 50 7.590 8.372 -0.782 1
1 420 . 20 1 1 A 50 50 LEU HA H 50 4.160 4.130 0.030 1
1 430 . 20 1 1 A 50 50 LEU CA C 50 58.000 58.211 -0.211 1
1 431 . 20 1 1 A 50 50 LEU CB C 50 41.800 41.607 0.193 1
1 435 . 20 1 1 A 50 50 LEU N N 50 119.500 122.420 -2.920 1
1 436 . 20 1 1 A 51 51 ALA H H 51 8.620 8.881 -0.261 1
1 437 . 20 1 1 A 51 51 ALA HA H 51 4.210 4.026 0.184 1
1 441 . 20 1 1 A 51 51 ALA CA C 51 54.900 55.181 -0.281 1
1 442 . 20 1 1 A 51 51 ALA CB C 51 18.600 18.337 0.263 1
1 443 . 20 1 1 A 51 51 ALA N N 51 118.900 120.680 -1.780 1
1 444 . 20 1 1 A 52 52 ALA H H 52 8.410 7.973 0.437 1
1 445 . 20 1 1 A 52 52 ALA HA H 52 4.210 4.104 0.106 1
1 449 . 20 1 1 A 52 52 ALA CA C 52 55.100 55.379 -0.279 1
1 450 . 20 1 1 A 52 52 ALA CB C 52 18.400 18.247 0.153 1
1 451 . 20 1 1 A 52 52 ALA N N 52 119.400 120.909 -1.509 1
1 452 . 20 1 1 A 53 53 ARG H H 53 8.070 8.433 -0.363 1
1 453 . 20 1 1 A 53 53 ARG HA H 53 4.130 4.097 0.033 1
1 460 . 20 1 1 A 53 53 ARG CA C 53 59.100 59.424 -0.324 1
1 461 . 20 1 1 A 53 53 ARG CB C 53 30.900 29.828 1.072 1
1 464 . 20 1 1 A 53 53 ARG N N 53 119.500 118.139 1.361 1
1 465 . 20 1 1 A 54 54 TRP H H 54 9.270 8.248 1.022 1
1 466 . 20 1 1 A 54 54 TRP HA H 54 3.830 4.255 -0.425 1
1 475 . 20 1 1 A 54 54 TRP CA C 54 62.400 61.310 1.090 1
1 476 . 20 1 1 A 54 54 TRP CB C 54 29.200 29.201 -0.001 1
1 482 . 20 1 1 A 54 54 TRP N N 54 124.000 122.089 1.911 1
1 484 . 20 1 1 A 55 55 ALA H H 55 8.810 8.594 0.216 1
1 485 . 20 1 1 A 55 55 ALA HA H 55 3.220 3.716 -0.496 1
1 489 . 20 1 1 A 55 55 ALA CA C 55 55.100 55.290 -0.190 1
1 490 . 20 1 1 A 55 55 ALA CB C 55 17.500 18.180 -0.680 1
1 491 . 20 1 1 A 55 55 ALA N N 55 120.800 121.331 -0.531 1
1 492 . 20 1 1 A 56 56 GLU H H 56 7.460 8.505 -1.045 1
1 493 . 20 1 1 A 56 56 GLU HA H 56 3.880 4.030 -0.150 1
1 498 . 20 1 1 A 56 56 GLU CA C 56 59.200 59.397 -0.197 1
1 499 . 20 1 1 A 56 56 GLU CB C 56 29.500 29.083 0.417 1
1 501 . 20 1 1 A 56 56 GLU N N 56 114.800 117.781 -2.981 1
1 502 . 20 1 1 A 57 57 GLY H H 57 7.650 8.410 -0.760 1
1 503 . 20 1 1 A 57 57 GLY HA2 H 57 3.490 3.780 -0.290 1
1 504 . 20 1 1 A 57 57 GLY HA3 H 57 3.850 3.803 0.047 1
1 505 . 20 1 1 A 57 57 GLY CA C 57 47.100 46.841 0.259 1
1 506 . 20 1 1 A 57 57 GLY N N 57 106.000 108.906 -2.906 1
1 507 . 20 1 1 A 58 58 ALA H H 58 8.950 8.117 0.833 1
1 508 . 20 1 1 A 58 58 ALA HA H 58 3.640 3.719 -0.079 1
1 512 . 20 1 1 A 58 58 ALA CA C 58 54.500 54.457 0.043 1
1 513 . 20 1 1 A 58 58 ALA CB C 58 16.700 18.275 -1.575 1
1 514 . 20 1 1 A 58 58 ALA N N 58 127.400 125.052 2.348 1
1 515 . 20 1 1 A 59 59 LEU H H 59 8.370 8.345 0.025 1
1 516 . 20 1 1 A 59 59 LEU HA H 59 3.920 3.883 0.037 1
1 526 . 20 1 1 A 59 59 LEU CA C 59 57.300 57.593 -0.293 1
1 527 . 20 1 1 A 59 59 LEU CB C 59 40.800 41.284 -0.484 1
1 531 . 20 1 1 A 59 59 LEU N N 59 116.800 119.199 -2.399 1
1 532 . 20 1 1 A 60 60 GLU H H 60 7.310 7.965 -0.655 1
1 533 . 20 1 1 A 60 60 GLU HA H 60 4.030 3.968 0.062 1
1 538 . 20 1 1 A 60 60 GLU CA C 60 58.800 59.255 -0.455 1
1 539 . 20 1 1 A 60 60 GLU CB C 60 28.900 29.318 -0.418 1
1 541 . 20 1 1 A 60 60 GLU N N 60 119.000 120.755 -1.755 1
1 542 . 20 1 1 A 61 61 LEU H H 61 7.700 7.979 -0.279 1
1 543 . 20 1 1 A 61 61 LEU HA H 61 4.000 4.013 -0.013 1
1 553 . 20 1 1 A 61 61 LEU CA C 61 58.100 58.300 -0.200 1
1 554 . 20 1 1 A 61 61 LEU CB C 61 41.400 41.644 -0.244 1
1 558 . 20 1 1 A 61 61 LEU N N 61 120.800 120.540 0.260 1
1 559 . 20 1 1 A 62 62 ILE H H 62 7.510 7.946 -0.436 1
1 560 . 20 1 1 A 62 62 ILE HA H 62 4.040 4.063 -0.023 1
1 570 . 20 1 1 A 62 62 ILE CA C 62 63.200 63.551 -0.351 1
1 571 . 20 1 1 A 62 62 ILE CB C 62 37.200 37.509 -0.309 1
1 575 . 20 1 1 A 62 62 ILE N N 62 110.700 114.594 -3.894 1
1 576 . 20 1 1 A 63 63 LYS H H 63 7.520 7.525 -0.005 1
1 577 . 20 1 1 A 63 63 LYS HA H 63 4.070 4.014 0.056 1
1 586 . 20 1 1 A 63 63 LYS CA C 63 58.600 59.066 -0.466 1
1 587 . 20 1 1 A 63 63 LYS CB C 63 32.800 32.593 0.207 1
1 590 . 20 1 1 A 63 63 LYS N N 63 121.100 121.716 -0.616 1
1 591 . 20 1 1 A 64 64 VAL H H 64 7.630 7.198 0.432 1
1 592 . 20 1 1 A 64 64 VAL HA H 64 3.950 3.971 -0.021 1
1 600 . 20 1 1 A 64 64 VAL CA C 64 63.900 64.733 -0.833 1
1 601 . 20 1 1 A 64 64 VAL CB C 64 32.400 32.948 -0.548 1
1 604 . 20 1 1 A 64 64 VAL N N 64 115.200 118.305 -3.105 1
1 605 . 20 1 1 A 65 65 ARG H H 65 7.980 8.142 -0.162 1
1 606 . 20 1 1 A 65 65 ARG HA H 65 4.390 4.767 -0.377 1
1 613 . 20 1 1 A 65 65 ARG CA C 65 55.200 54.474 0.726 1
1 614 . 20 1 1 A 65 65 ARG CB C 65 31.500 32.422 -0.922 1
1 617 . 20 1 1 A 65 65 ARG N N 65 118.300 121.753 -3.453 1
1 618 . 20 1 1 A 66 66 ARG HA H 66 4.340 4.404 -0.064 1
1 621 . 20 1 1 A 66 66 ARG CA C 66 54.900 54.089 0.811 1
1 622 . 20 1 1 A 66 66 ARG CB C 66 29.200 30.202 -1.002 1
1 629 . 20 1 1 A 68 68 LYS HA H 68 4.100 4.268 -0.168 1
1 638 . 20 1 1 A 68 68 LYS CA C 68 57.900 57.040 0.860 1
1 639 . 20 1 1 A 68 68 LYS CB C 68 34.100 33.698 0.402 1
1 643 . 20 1 1 A 69 69 TYR HA H 69 4.760 4.548 0.212 1
1 650 . 20 1 1 A 69 69 TYR CA C 69 57.800 59.051 -1.251 1
1 651 . 20 1 1 A 69 69 TYR CB C 69 39.600 40.213 -0.613 1
1 654 . 20 1 1 A 70 70 VAL H H 70 6.950 7.392 -0.442 1
1 655 . 20 1 1 A 70 70 VAL HA H 70 4.720 4.418 0.302 1
1 663 . 20 1 1 A 70 70 VAL CA C 70 60.000 60.808 -0.808 1
1 664 . 20 1 1 A 70 70 VAL CB C 70 34.500 33.998 0.502 1
1 667 . 20 1 1 A 70 70 VAL N N 70 115.400 118.830 -3.430 1
1 668 . 20 1 1 A 71 71 HIS H H 71 7.870 8.790 -0.920 1
1 669 . 20 1 1 A 71 71 HIS HA H 71 4.910 4.920 -0.010 1
1 673 . 20 1 1 A 71 71 HIS CA C 71 54.100 54.552 -0.452 1
1 674 . 20 1 1 A 71 71 HIS CB C 71 33.700 33.965 -0.265 1
1 676 . 20 1 1 A 71 71 HIS N N 71 120.600 123.203 -2.603 1
1 677 . 20 1 1 A 72 72 LYS H H 72 8.400 8.807 -0.407 1
1 678 . 20 1 1 A 72 72 LYS HA H 72 3.680 3.829 -0.149 1
1 687 . 20 1 1 A 72 72 LYS CA C 72 60.600 60.278 0.322 1
1 688 . 20 1 1 A 72 72 LYS CB C 72 32.800 32.247 0.553 1
1 692 . 20 1 1 A 73 73 GLU H H 73 9.680 8.279 1.401 1
1 693 . 20 1 1 A 73 73 GLU HA H 73 4.170 4.008 0.162 1
1 698 . 20 1 1 A 73 73 GLU CA C 73 60.000 59.842 0.158 1
1 699 . 20 1 1 A 73 73 GLU CB C 73 28.300 29.068 -0.768 1
1 701 . 20 1 1 A 73 73 GLU N N 73 117.300 118.738 -1.438 1
1 702 . 20 1 1 A 74 74 GLN H H 74 7.360 7.873 -0.513 1
1 703 . 20 1 1 A 74 74 GLN HA H 74 4.180 4.118 0.062 1
1 710 . 20 1 1 A 74 74 GLN CA C 74 58.300 59.004 -0.704 1
1 711 . 20 1 1 A 74 74 GLN CB C 74 28.300 28.469 -0.169 1
1 713 . 20 1 1 A 74 74 GLN N N 74 117.700 118.447 -0.747 1
1 715 . 20 1 1 A 75 75 ILE H H 75 7.530 7.800 -0.270 1
1 716 . 20 1 1 A 75 75 ILE HA H 75 3.780 3.755 0.025 1
1 726 . 20 1 1 A 75 75 ILE CA C 75 64.100 65.554 -1.454 1
1 727 . 20 1 1 A 75 75 ILE CB C 75 36.800 37.660 -0.860 1
1 731 . 20 1 1 A 75 75 ILE N N 75 120.600 121.600 -1.000 1
1 732 . 20 1 1 A 76 76 GLU H H 76 8.340 7.703 0.637 1
1 733 . 20 1 1 A 76 76 GLU HA H 76 3.970 4.134 -0.164 1
1 738 . 20 1 1 A 76 76 GLU CA C 76 59.200 59.191 0.009 1
1 739 . 20 1 1 A 76 76 GLU CB C 76 29.700 29.469 0.231 1
1 741 . 20 1 1 A 76 76 GLU N N 76 117.500 120.642 -3.142 1
1 742 . 20 1 1 A 77 77 ALA H H 77 7.390 8.159 -0.769 1
1 743 . 20 1 1 A 77 77 ALA HA H 77 4.370 4.094 0.276 1
1 747 . 20 1 1 A 77 77 ALA CA C 77 53.400 55.292 -1.892 1
1 748 . 20 1 1 A 77 77 ALA CB C 77 18.800 18.347 0.453 1
1 749 . 20 1 1 A 77 77 ALA N N 77 118.600 122.861 -4.261 1
1 750 . 20 1 1 A 78 78 VAL H H 78 7.620 8.517 -0.897 1
1 751 . 20 1 1 A 78 78 VAL HA H 78 3.720 3.425 0.295 1
1 759 . 20 1 1 A 78 78 VAL CA C 78 66.700 67.019 -0.319 1
1 760 . 20 1 1 A 78 78 VAL CB C 78 31.500 31.587 -0.087 1
1 763 . 20 1 1 A 78 78 VAL N N 78 116.800 119.325 -2.525 1
1 764 . 20 1 1 A 79 79 LYS H H 79 8.570 8.080 0.490 1
1 765 . 20 1 1 A 79 79 LYS HA H 79 3.780 4.032 -0.252 1
1 774 . 20 1 1 A 79 79 LYS CA C 79 61.800 60.008 1.792 1
1 775 . 20 1 1 A 79 79 LYS CB C 79 31.500 32.417 -0.917 1
1 779 . 20 1 1 A 79 79 LYS N N 79 119.500 120.607 -1.107 1
1 780 . 20 1 1 A 80 80 ASP H H 80 8.350 8.063 0.287 1
1 781 . 20 1 1 A 80 80 ASP HA H 80 4.490 4.379 0.111 1
1 784 . 20 1 1 A 80 80 ASP CA C 80 57.300 57.540 -0.240 1
1 785 . 20 1 1 A 80 80 ASP CB C 80 40.000 41.374 -1.374 1
1 786 . 20 1 1 A 80 80 ASP N N 80 115.500 119.661 -4.161 1
1 787 . 20 1 1 A 81 81 ASN H H 81 7.690 8.823 -1.133 1
1 788 . 20 1 1 A 81 81 ASN HA H 81 4.540 4.502 0.038 1
1 793 . 20 1 1 A 81 81 ASN CA C 81 55.500 56.266 -0.766 1
1 794 . 20 1 1 A 81 81 ASN CB C 81 38.600 37.973 0.627 1
1 795 . 20 1 1 A 81 81 ASN N N 81 118.300 117.284 1.016 1
1 797 . 20 1 1 A 82 82 PHE H H 82 9.620 8.573 1.047 1
1 798 . 20 1 1 A 82 82 PHE HA H 82 4.060 4.131 -0.071 1
1 806 . 20 1 1 A 82 82 PHE CA C 82 60.900 61.258 -0.358 1
1 807 . 20 1 1 A 82 82 PHE CB C 82 39.500 39.253 0.247 1
1 811 . 20 1 1 A 82 82 PHE N N 82 121.400 122.974 -1.574 1
1 812 . 20 1 1 A 83 83 LEU H H 83 8.210 8.413 -0.203 1
1 813 . 20 1 1 A 83 83 LEU HA H 83 3.900 3.767 0.133 1
1 823 . 20 1 1 A 83 83 LEU CA C 83 57.000 57.741 -0.741 1
1 824 . 20 1 1 A 83 83 LEU CB C 83 40.400 41.275 -0.875 1
1 828 . 20 1 1 A 83 83 LEU N N 83 117.400 119.207 -1.807 1
1 829 . 20 1 1 A 84 84 GLU H H 84 7.660 8.508 -0.848 1
1 830 . 20 1 1 A 84 84 GLU HA H 84 4.150 4.013 0.137 1
1 835 . 20 1 1 A 84 84 GLU CA C 84 59.500 59.156 0.344 1
1 836 . 20 1 1 A 84 84 GLU CB C 84 28.700 29.545 -0.845 1
1 838 . 20 1 1 A 84 84 GLU N N 84 121.500 120.690 0.810 1
1 839 . 20 1 1 A 85 85 LEU H H 85 8.100 8.316 -0.216 1
1 840 . 20 1 1 A 85 85 LEU HA H 85 3.600 3.945 -0.345 1
1 850 . 20 1 1 A 85 85 LEU CA C 85 59.300 58.264 1.036 1
1 851 . 20 1 1 A 85 85 LEU CB C 85 41.800 41.343 0.457 1
1 855 . 20 1 1 A 85 85 LEU N N 85 121.700 120.986 0.714 1
1 856 . 20 1 1 A 86 86 VAL H H 86 8.220 7.842 0.378 1
1 857 . 20 1 1 A 86 86 VAL HA H 86 3.100 3.330 -0.230 1
1 865 . 20 1 1 A 86 86 VAL CA C 86 67.200 66.682 0.518 1
1 866 . 20 1 1 A 86 86 VAL CB C 86 31.500 31.241 0.259 1
1 869 . 20 1 1 A 86 86 VAL N N 86 118.400 119.064 -0.664 1
1 870 . 20 1 1 A 87 87 LEU H H 87 8.450 8.230 0.220 1
1 871 . 20 1 1 A 87 87 LEU HA H 87 3.960 4.200 -0.240 1
1 881 . 20 1 1 A 87 87 LEU CA C 87 59.100 58.746 0.354 1
1 882 . 20 1 1 A 87 87 LEU CB C 87 42.300 41.880 0.420 1
1 886 . 20 1 1 A 87 87 LEU N N 87 120.200 120.034 0.166 1
1 887 . 20 1 1 A 88 88 GLN H H 88 9.350 8.604 0.746 1
1 888 . 20 1 1 A 88 88 GLN HA H 88 4.180 4.325 -0.145 1
1 895 . 20 1 1 A 88 88 GLN CA C 88 57.300 58.125 -0.825 1
1 896 . 20 1 1 A 88 88 GLN CB C 88 25.400 28.234 -2.834 1
1 898 . 20 1 1 A 88 88 GLN N N 88 114.900 118.499 -3.599 1
1 900 . 20 1 1 A 89 89 SER H H 89 8.680 7.682 0.998 1
1 901 . 20 1 1 A 89 89 SER HA H 89 4.080 4.297 -0.217 1
1 904 . 20 1 1 A 89 89 SER CA C 89 61.900 61.113 0.787 1
1 905 . 20 1 1 A 89 89 SER CB C 89 62.200 62.749 -0.549 1
1 906 . 20 1 1 A 89 89 SER N N 89 117.500 115.366 2.134 1
1 907 . 20 1 1 A 90 90 TYR H H 90 7.330 7.255 0.075 1
1 908 . 20 1 1 A 90 90 TYR HA H 90 4.320 4.494 -0.174 1
1 915 . 20 1 1 A 90 90 TYR CA C 90 59.700 60.578 -0.878 1
1 916 . 20 1 1 A 90 90 TYR CB C 90 41.400 38.183 3.217 1
1 919 . 20 1 1 A 90 90 TYR N N 90 116.000 120.043 -4.043 1
1 920 . 20 1 1 A 91 91 VAL H H 91 7.730 7.351 0.379 1
1 921 . 20 1 1 A 91 91 VAL HA H 91 4.010 3.929 0.081 1
1 929 . 20 1 1 A 91 91 VAL CA C 91 62.600 65.573 -2.973 1
1 930 . 20 1 1 A 91 91 VAL CB C 91 32.700 32.399 0.301 1
1 933 . 20 1 1 A 91 91 VAL N N 91 110.500 114.368 -3.868 1
1 934 . 20 1 1 A 92 92 HIS H H 92 8.600 8.185 0.415 1
1 935 . 20 1 1 A 92 92 HIS HA H 92 4.280 4.511 -0.231 1
1 939 . 20 1 1 A 92 92 HIS CA C 92 56.000 56.746 -0.746 1
1 940 . 20 1 1 A 92 92 HIS CB C 92 29.200 27.429 1.771 1
1 942 . 20 1 1 A 92 92 HIS N N 92 114.500 120.923 -6.423 1
1 943 . 20 1 1 A 93 93 HIS H H 93 8.350 8.192 0.158 1
1 944 . 20 1 1 A 93 93 HIS HA H 93 4.780 4.586 0.194 1
1 948 . 20 1 1 A 93 93 HIS CA C 93 57.600 56.105 1.495 1
1 949 . 20 1 1 A 93 93 HIS CB C 93 31.900 30.802 1.098 1
1 951 . 20 1 1 A 93 93 HIS N N 93 118.200 118.392 -0.192 1
1 952 . 20 1 1 A 94 94 ILE H H 94 7.470 7.313 0.157 1
1 953 . 20 1 1 A 94 94 ILE HA H 94 4.370 4.430 -0.060 1
1 963 . 20 1 1 A 94 94 ILE CA C 94 60.900 59.605 1.295 1
1 964 . 20 1 1 A 94 94 ILE CB C 94 39.600 39.861 -0.261 1
1 968 . 20 1 1 A 94 94 ILE N N 94 111.400 117.407 -6.007 1
1 969 . 20 1 1 A 95 95 HIS H H 95 6.990 9.027 -2.037 1
1 970 . 20 1 1 A 96 96 LYS HA H 96 4.040 4.541 -0.501 1
1 977 . 20 1 1 A 97 97 LYS HA H 97 4.130 4.004 0.126 1
1 986 . 20 1 1 A 97 97 LYS CA C 97 59.400 60.024 -0.624 1
1 987 . 20 1 1 A 97 97 LYS CB C 97 32.000 31.901 0.099 1
1 991 . 20 1 1 A 98 98 ARG H H 98 7.150 7.910 -0.760 1
1 992 . 20 1 1 A 98 98 ARG HA H 98 4.150 4.086 0.064 1
1 999 . 20 1 1 A 98 98 ARG CA C 98 57.900 59.377 -1.477 1
1 1000 . 20 1 1 A 98 98 ARG CB C 98 28.600 29.865 -1.265 1
1 1003 . 20 1 1 A 98 98 ARG N N 98 118.500 119.671 -1.171 1
1 1004 . 20 1 1 A 99 99 PHE H H 99 8.260 8.281 -0.021 1
1 1005 . 20 1 1 A 99 99 PHE HA H 99 3.450 3.971 -0.521 1
1 1013 . 20 1 1 A 99 99 PHE CA C 99 62.700 61.447 1.253 1
1 1014 . 20 1 1 A 99 99 PHE CB C 99 39.200 38.874 0.326 1
1 1018 . 20 1 1 A 99 99 PHE N N 99 119.100 121.539 -2.439 1
1 1019 . 20 1 1 A 100 100 LYS H H 100 8.500 7.999 0.501 1
1 1020 . 20 1 1 A 100 100 LYS HA H 100 3.980 3.851 0.129 1
1 1029 . 20 1 1 A 100 100 LYS CA C 100 59.300 60.055 -0.755 1
1 1030 . 20 1 1 A 100 100 LYS CB C 100 31.900 32.271 -0.371 1
1 1034 . 20 1 1 A 100 100 LYS N N 100 121.700 119.054 2.646 1
1 1035 . 20 1 1 A 101 101 ASP H H 101 8.150 7.738 0.412 1
1 1036 . 20 1 1 A 101 101 ASP HA H 101 4.290 4.288 0.002 1
1 1039 . 20 1 1 A 101 101 ASP CA C 101 57.300 57.870 -0.570 1
1 1040 . 20 1 1 A 101 101 ASP CB C 101 39.900 41.575 -1.675 1
1 1041 . 20 1 1 A 101 101 ASP N N 101 119.800 119.612 0.188 1
1 1042 . 20 1 1 A 102 102 ILE H H 102 8.220 7.868 0.352 1
1 1043 . 20 1 1 A 102 102 ILE HA H 102 3.690 3.493 0.197 1
1 1053 . 20 1 1 A 102 102 ILE CA C 102 65.000 65.293 -0.293 1
1 1054 . 20 1 1 A 102 102 ILE CB C 102 37.700 37.641 0.059 1
1 1058 . 20 1 1 A 102 102 ILE N N 102 118.800 118.842 -0.042 1
1 1059 . 20 1 1 A 103 103 THR H H 103 7.930 7.838 0.092 1
1 1060 . 20 1 1 A 103 103 THR HA H 103 3.480 3.658 -0.178 1
1 1066 . 20 1 1 A 103 103 THR CA C 103 67.300 66.914 0.386 1
1 1067 . 20 1 1 A 103 103 THR CB C 103 67.700 68.098 -0.398 1
1 1069 . 20 1 1 A 103 103 THR N N 103 117.900 116.652 1.248 1
1 1070 . 20 1 1 A 104 104 GLU H H 104 8.470 8.622 -0.152 1
1 1071 . 20 1 1 A 104 104 GLU HA H 104 3.920 3.935 -0.015 1
1 1076 . 20 1 1 A 104 104 GLU CA C 104 59.500 59.808 -0.308 1
1 1077 . 20 1 1 A 104 104 GLU CB C 104 29.200 29.411 -0.211 1
1 1079 . 20 1 1 A 104 104 GLU N N 104 118.900 120.342 -1.442 1
1 1080 . 20 1 1 A 105 105 SER H H 105 7.840 8.104 -0.264 1
1 1081 . 20 1 1 A 105 105 SER HA H 105 4.290 4.284 0.006 1
1 1084 . 20 1 1 A 105 105 SER CA C 105 60.900 61.638 -0.738 1
1 1085 . 20 1 1 A 105 105 SER CB C 105 62.700 62.938 -0.238 1
1 1086 . 20 1 1 A 105 105 SER N N 105 114.200 115.238 -1.038 1
1 1087 . 20 1 1 A 106 106 VAL H H 106 8.290 7.953 0.337 1
1 1088 . 20 1 1 A 106 106 VAL HA H 106 3.690 3.591 0.099 1
1 1096 . 20 1 1 A 106 106 VAL CA C 106 66.300 66.886 -0.586 1
1 1097 . 20 1 1 A 106 106 VAL CB C 106 31.900 31.714 0.186 1
1 1100 . 20 1 1 A 106 106 VAL N N 106 122.100 121.090 1.010 1
1 1101 . 20 1 1 A 107 107 LEU H H 107 8.560 8.466 0.094 1
1 1102 . 20 1 1 A 107 107 LEU HA H 107 3.900 3.805 0.095 1
1 1112 . 20 1 1 A 107 107 LEU CA C 107 58.300 58.102 0.198 1
1 1113 . 20 1 1 A 107 107 LEU CB C 107 41.200 41.448 -0.248 1
1 1117 . 20 1 1 A 107 107 LEU N N 107 117.500 118.633 -1.133 1
1 1118 . 20 1 1 A 108 108 TYR H H 108 8.450 8.673 -0.223 1
1 1119 . 20 1 1 A 108 108 TYR HA H 108 4.170 4.203 -0.033 1
1 1126 . 20 1 1 A 108 108 TYR CA C 108 61.800 62.163 -0.363 1
1 1127 . 20 1 1 A 108 108 TYR CB C 108 37.900 38.653 -0.753 1
1 1130 . 20 1 1 A 108 108 TYR N N 108 119.000 119.802 -0.802 1
1 1131 . 20 1 1 A 109 109 THR H H 109 7.800 7.902 -0.102 1
1 1132 . 20 1 1 A 109 109 THR HA H 109 3.860 4.153 -0.293 1
1 1137 . 20 1 1 A 109 109 THR CA C 109 66.800 66.898 -0.098 1
1 1138 . 20 1 1 A 109 109 THR CB C 109 67.800 68.112 -0.312 1
1 1140 . 20 1 1 A 109 109 THR N N 109 116.500 115.264 1.236 1
1 1141 . 20 1 1 A 110 110 LEU H H 110 8.510 8.383 0.127 1
1 1142 . 20 1 1 A 110 110 LEU HA H 110 3.900 3.927 -0.027 1
1 1152 . 20 1 1 A 110 110 LEU CA C 110 58.500 57.854 0.646 1
1 1153 . 20 1 1 A 110 110 LEU CB C 110 41.300 41.116 0.184 1
1 1157 . 20 1 1 A 110 110 LEU N N 110 121.000 121.146 -0.146 1
1 1158 . 20 1 1 A 111 111 HIS H H 111 8.440 8.394 0.046 1
1 1159 . 20 1 1 A 111 111 HIS HA H 111 4.000 4.232 -0.232 1
1 1163 . 20 1 1 A 111 111 HIS CA C 111 60.900 60.205 0.695 1
1 1164 . 20 1 1 A 111 111 HIS CB C 111 29.700 29.473 0.227 1
1 1166 . 20 1 1 A 111 111 HIS N N 111 116.300 117.680 -1.380 1
1 1167 . 20 1 1 A 112 112 ALA H H 112 7.920 7.868 0.052 1
1 1168 . 20 1 1 A 112 112 ALA HA H 112 4.130 3.814 0.316 1
1 1172 . 20 1 1 A 112 112 ALA CA C 112 55.000 55.015 -0.015 1
1 1173 . 20 1 1 A 112 112 ALA CB C 112 17.600 18.096 -0.496 1
1 1174 . 20 1 1 A 112 112 ALA N N 112 122.900 122.127 0.773 1
1 1175 . 20 1 1 A 113 113 VAL H H 113 8.300 7.906 0.394 1
1 1176 . 20 1 1 A 113 113 VAL HA H 113 3.540 3.547 -0.007 1
1 1184 . 20 1 1 A 113 113 VAL CA C 113 67.200 66.543 0.657 1
1 1185 . 20 1 1 A 113 113 VAL CB C 113 31.000 31.583 -0.583 1
1 1188 . 20 1 1 A 113 113 VAL N N 113 119.000 118.609 0.391 1
1 1189 . 20 1 1 A 114 114 LYS H H 114 8.220 8.335 -0.115 1
1 1190 . 20 1 1 A 114 114 LYS HA H 114 3.810 3.940 -0.130 1
1 1199 . 20 1 1 A 114 114 LYS CA C 114 60.800 59.745 1.055 1
1 1200 . 20 1 1 A 114 114 LYS CB C 114 31.500 32.358 -0.858 1
1 1204 . 20 1 1 A 114 114 LYS N N 114 120.600 120.622 -0.022 1
1 1205 . 20 1 1 A 115 115 ASP H H 115 8.180 8.354 -0.174 1
1 1206 . 20 1 1 A 115 115 ASP HA H 115 4.300 4.255 0.045 1
1 1209 . 20 1 1 A 115 115 ASP CA C 115 56.800 57.550 -0.750 1
1 1210 . 20 1 1 A 115 115 ASP CB C 115 39.600 41.413 -1.813 1
1 1211 . 20 1 1 A 115 115 ASP N N 115 118.800 119.086 -0.286 1
1 1212 . 20 1 1 A 116 116 GLU H H 116 7.990 7.826 0.164 1
1 1213 . 20 1 1 A 116 116 GLU HA H 116 4.060 4.114 -0.054 1
1 1218 . 20 1 1 A 116 116 GLU CA C 116 58.400 59.301 -0.901 1
1 1219 . 20 1 1 A 116 116 GLU CB C 116 29.000 29.623 -0.623 1
1 1221 . 20 1 1 A 116 116 GLU N N 116 120.800 118.510 2.290 1
1 1222 . 20 1 1 A 117 117 ILE H H 117 8.370 8.199 0.171 1
1 1223 . 20 1 1 A 117 117 ILE HA H 117 3.610 3.689 -0.079 1
1 1233 . 20 1 1 A 117 117 ILE CA C 117 64.800 65.680 -0.880 1
1 1234 . 20 1 1 A 117 117 ILE CB C 117 38.600 37.722 0.878 1
1 1238 . 20 1 1 A 117 117 ILE N N 117 119.700 121.138 -1.438 1
1 1239 . 20 1 1 A 118 118 ALA H H 118 7.720 8.137 -0.417 1
1 1240 . 20 1 1 A 118 118 ALA HA H 118 4.250 4.148 0.102 1
1 1244 . 20 1 1 A 118 118 ALA CA C 118 52.900 54.351 -1.451 1
1 1245 . 20 1 1 A 118 118 ALA CB C 118 18.700 18.275 0.425 1
1 1246 . 20 1 1 A 118 118 ALA N N 118 119.900 121.739 -1.839 1
1 1247 . 20 1 1 A 119 119 ARG H H 119 7.450 7.553 -0.103 1
1 1248 . 20 1 1 A 119 119 ARG HA H 119 4.110 4.199 -0.089 1
1 1255 . 20 1 1 A 119 119 ARG CA C 119 57.600 58.577 -0.977 1
1 1256 . 20 1 1 A 119 119 ARG CB C 119 31.000 30.588 0.412 1
1 1259 . 20 1 1 A 119 119 ARG N N 119 118.400 118.526 -0.126 1
1 1260 . 20 1 1 A 120 120 GLU H H 120 8.890 8.366 0.524 1
1 1261 . 20 1 1 A 120 120 GLU HA H 120 4.280 4.243 0.037 1
1 1266 . 20 1 1 A 120 120 GLU CA C 120 57.600 58.762 -1.162 1
1 1267 . 20 1 1 A 120 120 GLU CB C 120 30.100 30.242 -0.142 1
1 1269 . 20 1 1 A 120 120 GLU N N 120 114.900 119.183 -4.283 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 106 1.129 1
3 1 1 1 "RMS(OBS, PRED)" CB 104 3.347 1
4 1 1 1 "RMS(OBS, PRED)" H 97 0.589 1
5 1 1 1 "RMS(OBS, PRED)" HA 109 0.291 1
6 1 1 1 "RMS(OBS, PRED)" N 95 2.626 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 106 1.103 1
9 1 2 1 "RMS(OBS, PRED)" CB 104 3.391 1
10 1 2 1 "RMS(OBS, PRED)" H 97 0.603 1
11 1 2 1 "RMS(OBS, PRED)" HA 109 0.261 1
12 1 2 1 "RMS(OBS, PRED)" N 95 2.286 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 106 1.129 1
15 1 3 1 "RMS(OBS, PRED)" CB 104 3.363 1
16 1 3 1 "RMS(OBS, PRED)" H 97 0.601 1
17 1 3 1 "RMS(OBS, PRED)" HA 109 0.272 1
18 1 3 1 "RMS(OBS, PRED)" N 95 2.364 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 106 1.072 1
21 1 4 1 "RMS(OBS, PRED)" CB 104 3.511 1
22 1 4 1 "RMS(OBS, PRED)" H 97 0.602 1
23 1 4 1 "RMS(OBS, PRED)" HA 109 0.260 1
24 1 4 1 "RMS(OBS, PRED)" N 95 2.253 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 106 1.153 1
27 1 5 1 "RMS(OBS, PRED)" CB 104 3.345 1
28 1 5 1 "RMS(OBS, PRED)" H 97 0.556 1
29 1 5 1 "RMS(OBS, PRED)" HA 109 0.274 1
30 1 5 1 "RMS(OBS, PRED)" N 95 2.106 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 106 1.226 1
33 1 6 1 "RMS(OBS, PRED)" CB 104 3.533 1
34 1 6 1 "RMS(OBS, PRED)" H 97 0.567 1
35 1 6 1 "RMS(OBS, PRED)" HA 109 0.260 1
36 1 6 1 "RMS(OBS, PRED)" N 95 2.191 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 106 1.187 1
39 1 7 1 "RMS(OBS, PRED)" CB 104 3.231 1
40 1 7 1 "RMS(OBS, PRED)" H 97 0.573 1
41 1 7 1 "RMS(OBS, PRED)" HA 109 0.252 1
42 1 7 1 "RMS(OBS, PRED)" N 95 2.456 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 106 1.062 1
45 1 8 1 "RMS(OBS, PRED)" CB 104 3.714 1
46 1 8 1 "RMS(OBS, PRED)" H 97 0.560 1
47 1 8 1 "RMS(OBS, PRED)" HA 109 0.268 1
48 1 8 1 "RMS(OBS, PRED)" N 95 2.412 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 106 1.127 1
51 1 9 1 "RMS(OBS, PRED)" CB 104 3.577 1
52 1 9 1 "RMS(OBS, PRED)" H 97 0.578 1
53 1 9 1 "RMS(OBS, PRED)" HA 109 0.297 1
54 1 9 1 "RMS(OBS, PRED)" N 95 2.149 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 106 1.152 1
57 1 10 1 "RMS(OBS, PRED)" CB 104 3.308 1
58 1 10 1 "RMS(OBS, PRED)" H 97 0.578 1
59 1 10 1 "RMS(OBS, PRED)" HA 109 0.274 1
60 1 10 1 "RMS(OBS, PRED)" N 95 2.220 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 106 1.113 1
63 1 11 1 "RMS(OBS, PRED)" CB 104 3.222 1
64 1 11 1 "RMS(OBS, PRED)" H 97 0.597 1
65 1 11 1 "RMS(OBS, PRED)" HA 109 0.275 1
66 1 11 1 "RMS(OBS, PRED)" N 95 2.376 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 106 1.231 1
69 1 12 1 "RMS(OBS, PRED)" CB 104 3.324 1
70 1 12 1 "RMS(OBS, PRED)" H 97 0.570 1
71 1 12 1 "RMS(OBS, PRED)" HA 109 0.289 1
72 1 12 1 "RMS(OBS, PRED)" N 95 2.341 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 106 1.189 1
75 1 13 1 "RMS(OBS, PRED)" CB 104 3.632 1
76 1 13 1 "RMS(OBS, PRED)" H 97 0.610 1
77 1 13 1 "RMS(OBS, PRED)" HA 109 0.274 1
78 1 13 1 "RMS(OBS, PRED)" N 95 2.399 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 106 1.218 1
81 1 14 1 "RMS(OBS, PRED)" CB 104 3.585 1
82 1 14 1 "RMS(OBS, PRED)" H 97 0.557 1
83 1 14 1 "RMS(OBS, PRED)" HA 109 0.269 1
84 1 14 1 "RMS(OBS, PRED)" N 95 2.270 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 106 1.173 1
87 1 15 1 "RMS(OBS, PRED)" CB 104 3.456 1
88 1 15 1 "RMS(OBS, PRED)" H 97 0.626 1
89 1 15 1 "RMS(OBS, PRED)" HA 109 0.270 1
90 1 15 1 "RMS(OBS, PRED)" N 95 2.388 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 106 1.164 1
93 1 16 1 "RMS(OBS, PRED)" CB 104 3.659 1
94 1 16 1 "RMS(OBS, PRED)" H 97 0.608 1
95 1 16 1 "RMS(OBS, PRED)" HA 109 0.287 1
96 1 16 1 "RMS(OBS, PRED)" N 95 2.372 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 106 1.211 1
99 1 17 1 "RMS(OBS, PRED)" CB 104 3.284 1
100 1 17 1 "RMS(OBS, PRED)" H 97 0.580 1
101 1 17 1 "RMS(OBS, PRED)" HA 109 0.257 1
102 1 17 1 "RMS(OBS, PRED)" N 95 2.138 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 106 1.170 1
105 1 18 1 "RMS(OBS, PRED)" CB 104 3.296 1
106 1 18 1 "RMS(OBS, PRED)" H 97 0.550 1
107 1 18 1 "RMS(OBS, PRED)" HA 109 0.287 1
108 1 18 1 "RMS(OBS, PRED)" N 95 2.342 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 106 1.250 1
111 1 19 1 "RMS(OBS, PRED)" CB 104 3.682 1
112 1 19 1 "RMS(OBS, PRED)" H 97 0.606 1
113 1 19 1 "RMS(OBS, PRED)" HA 109 0.293 1
114 1 19 1 "RMS(OBS, PRED)" N 95 2.708 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 106 1.143 1
117 1 20 1 "RMS(OBS, PRED)" CB 104 3.664 1
118 1 20 1 "RMS(OBS, PRED)" H 97 0.581 1
119 1 20 1 "RMS(OBS, PRED)" HA 109 0.243 1
120 1 20 1 "RMS(OBS, PRED)" N 95 2.344 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 6 6 LEU HA H 6 4.230 4.309 -0.079 2
1 11 . 1 1 A 6 6 LEU CA C 6 58.000 56.660 1.339 2
1 12 . 1 1 A 6 6 LEU CB C 6 40.900 42.855 -1.955 2
1 16 . 1 1 A 7 7 LEU H H 7 8.970 8.036 0.934 2
1 17 . 1 1 A 7 7 LEU HA H 7 3.970 4.086 -0.116 2
1 27 . 1 1 A 7 7 LEU CA C 7 58.500 58.200 0.300 2
1 28 . 1 1 A 7 7 LEU CB C 7 41.000 41.667 -0.667 2
1 32 . 1 1 A 7 7 LEU N N 7 124.300 120.286 4.014 2
1 33 . 1 1 A 8 8 GLU H H 8 7.910 8.272 -0.362 2
1 34 . 1 1 A 8 8 GLU HA H 8 4.040 3.994 0.046 2
1 39 . 1 1 A 8 8 GLU CA C 8 59.500 59.513 -0.013 2
1 40 . 1 1 A 8 8 GLU CB C 8 29.200 29.065 0.135 2
1 42 . 1 1 A 8 8 GLU N N 8 119.000 118.465 0.535 2
1 43 . 1 1 A 9 9 MET H H 9 8.520 8.050 0.470 2
1 44 . 1 1 A 9 9 MET HA H 9 4.030 4.223 -0.193 2
1 52 . 1 1 A 9 9 MET CA C 9 59.900 58.305 1.595 2
1 53 . 1 1 A 9 9 MET CB C 9 36.000 32.787 3.213 2
1 56 . 1 1 A 9 9 MET N N 9 117.500 119.243 -1.743 2
1 57 . 1 1 A 10 10 THR H H 10 8.470 7.664 0.806 2
1 58 . 1 1 A 10 10 THR HA H 10 3.550 3.781 -0.231 2
1 64 . 1 1 A 10 10 THR CA C 10 67.200 67.681 -0.481 2
1 65 . 1 1 A 10 10 THR CB C 10 68.500 68.237 0.263 2
1 67 . 1 1 A 10 10 THR N N 10 116.600 115.737 0.863 2
1 68 . 1 1 A 11 11 GLU H H 11 8.500 8.906 -0.407 2
1 69 . 1 1 A 11 11 GLU HA H 11 3.910 3.878 0.032 2
1 74 . 1 1 A 11 11 GLU CA C 11 59.400 59.932 -0.532 2
1 75 . 1 1 A 11 11 GLU CB C 11 29.200 29.206 -0.006 2
1 77 . 1 1 A 11 11 GLU N N 11 119.400 119.466 -0.066 2
1 78 . 1 1 A 12 12 GLN H H 12 8.140 8.141 -0.001 2
1 79 . 1 1 A 12 12 GLN HA H 12 4.100 4.068 0.032 2
1 86 . 1 1 A 12 12 GLN CA C 12 59.000 58.708 0.292 2
1 87 . 1 1 A 12 12 GLN CB C 12 27.800 28.489 -0.689 2
1 89 . 1 1 A 12 12 GLN N N 12 120.400 119.843 0.557 2
1 91 . 1 1 A 13 13 MET H H 13 8.120 7.855 0.265 2
1 92 . 1 1 A 13 13 MET HA H 13 3.710 4.072 -0.362 2
1 100 . 1 1 A 13 13 MET CA C 13 59.600 58.306 1.294 2
1 101 . 1 1 A 13 13 MET CB C 13 33.300 31.920 1.380 2
1 104 . 1 1 A 13 13 MET N N 13 118.500 118.378 0.122 2
1 105 . 1 1 A 14 14 ILE H H 14 8.040 8.212 -0.172 2
1 106 . 1 1 A 14 14 ILE HA H 14 3.270 3.530 -0.260 2
1 116 . 1 1 A 14 14 ILE CA C 14 65.700 65.055 0.645 2
1 117 . 1 1 A 14 14 ILE CB C 14 38.000 37.694 0.306 2
1 121 . 1 1 A 14 14 ILE N N 14 119.400 119.620 -0.220 2
1 122 . 1 1 A 15 15 GLU H H 15 7.700 8.244 -0.544 2
1 123 . 1 1 A 15 15 GLU HA H 15 4.110 3.991 0.119 2
1 128 . 1 1 A 15 15 GLU CA C 15 59.300 59.355 -0.055 2
1 129 . 1 1 A 15 15 GLU CB C 15 29.200 29.604 -0.404 2
1 131 . 1 1 A 15 15 GLU N N 15 119.000 121.084 -2.084 2
1 132 . 1 1 A 16 16 VAL H H 16 8.410 8.290 0.120 2
1 133 . 1 1 A 16 16 VAL HA H 16 3.530 3.669 -0.139 2
1 141 . 1 1 A 16 16 VAL CA C 16 66.600 66.411 0.189 2
1 142 . 1 1 A 16 16 VAL CB C 16 31.900 31.699 0.201 2
1 145 . 1 1 A 16 16 VAL N N 16 119.500 120.171 -0.671 2
1 146 . 1 1 A 17 17 ALA H H 17 8.600 8.141 0.459 2
1 147 . 1 1 A 17 17 ALA HA H 17 4.080 3.995 0.085 2
1 151 . 1 1 A 17 17 ALA CA C 17 54.700 55.830 -1.130 2
1 152 . 1 1 A 17 17 ALA CB C 17 17.700 18.291 -0.591 2
1 153 . 1 1 A 17 17 ALA N N 17 123.100 122.107 0.993 2
1 154 . 1 1 A 18 18 GLU H H 18 8.850 8.343 0.507 2
1 155 . 1 1 A 18 18 GLU HA H 18 3.990 3.991 -0.001 2
1 160 . 1 1 A 18 18 GLU CA C 18 59.500 59.588 -0.088 2
1 161 . 1 1 A 18 18 GLU CB C 18 29.700 29.348 0.352 2
1 163 . 1 1 A 18 18 GLU N N 18 117.900 118.079 -0.179 2
1 164 . 1 1 A 19 19 LYS H H 19 8.750 8.401 0.349 2
1 165 . 1 1 A 19 19 LYS HA H 19 4.150 4.074 0.076 2
1 174 . 1 1 A 19 19 LYS CA C 19 58.700 59.121 -0.421 2
1 175 . 1 1 A 19 19 LYS CB C 19 31.900 32.251 -0.351 2
1 179 . 1 1 A 19 19 LYS N N 19 119.200 119.407 -0.207 2
1 180 . 1 1 A 20 20 GLY H H 20 8.640 8.585 0.055 2
1 181 . 1 1 A 20 20 GLY HA2 H 20 3.790 3.856 -0.066 2
1 182 . 1 1 A 20 20 GLY HA3 H 20 3.500 3.876 -0.376 2
1 183 . 1 1 A 20 20 GLY CA C 20 46.400 47.184 -0.784 2
1 184 . 1 1 A 20 20 GLY N N 20 110.300 108.100 2.200 2
1 185 . 1 1 A 21 21 ALA H H 21 8.550 8.087 0.463 2
1 186 . 1 1 A 21 21 ALA HA H 21 4.490 4.356 0.134 2
1 190 . 1 1 A 21 21 ALA CA C 21 55.100 54.772 0.328 2
1 191 . 1 1 A 21 21 ALA CB C 21 17.300 18.740 -1.440 2
1 192 . 1 1 A 21 21 ALA N N 21 125.300 124.914 0.386 2
1 193 . 1 1 A 22 22 ASP H H 22 7.660 8.385 -0.725 2
1 194 . 1 1 A 22 22 ASP HA H 22 4.460 4.384 0.076 2
1 197 . 1 1 A 22 22 ASP CA C 22 56.900 57.478 -0.578 2
1 198 . 1 1 A 22 22 ASP CB C 22 40.500 41.636 -1.136 2
1 199 . 1 1 A 22 22 ASP N N 22 119.000 118.315 0.685 2
1 200 . 1 1 A 23 23 ARG H H 23 8.110 8.362 -0.252 2
1 201 . 1 1 A 23 23 ARG HA H 23 4.000 3.981 0.019 2
1 208 . 1 1 A 23 23 ARG CA C 23 59.200 58.980 0.220 2
1 209 . 1 1 A 23 23 ARG CB C 23 30.700 29.764 0.937 2
1 212 . 1 1 A 23 23 ARG N N 23 121.800 120.185 1.615 2
1 213 . 1 1 A 24 24 TYR H H 24 8.460 8.307 0.152 2
1 214 . 1 1 A 24 24 TYR HA H 24 3.780 4.014 -0.234 2
1 221 . 1 1 A 24 24 TYR CA C 24 60.900 61.622 -0.722 2
1 222 . 1 1 A 24 24 TYR CB C 24 39.400 38.212 1.188 2
1 225 . 1 1 A 24 24 TYR N N 24 120.400 120.581 -0.181 2
1 226 . 1 1 A 25 25 GLN H H 25 7.540 8.433 -0.893 2
1 227 . 1 1 A 25 25 GLN HA H 25 3.750 3.847 -0.097 2
1 232 . 1 1 A 25 25 GLN CA C 25 57.800 58.701 -0.901 2
1 233 . 1 1 A 25 25 GLN CB C 25 28.400 28.408 -0.008 2
1 235 . 1 1 A 25 25 GLN N N 25 117.500 118.433 -0.933 2
1 236 . 1 1 A 26 26 GLU H H 26 7.980 7.967 0.013 2
1 237 . 1 1 A 26 26 GLU HA H 26 4.010 4.116 -0.106 2
1 242 . 1 1 A 26 26 GLU CA C 26 57.900 58.214 -0.314 2
1 243 . 1 1 A 26 26 GLU CB C 26 29.700 29.806 -0.107 2
1 245 . 1 1 A 26 26 GLU N N 26 117.900 118.357 -0.457 2
1 246 . 1 1 A 32 32 HIS HA H 32 4.620 4.835 -0.215 2
1 249 . 1 1 A 32 32 HIS CA C 32 56.900 55.376 1.524 2
1 250 . 1 1 A 32 32 HIS CB C 32 64.000 30.882 33.118 2
1 251 . 1 1 A 33 33 SER HA H 33 4.610 4.509 0.101 2
1 254 . 1 1 A 33 33 SER CA C 33 56.900 58.588 -1.688 2
1 255 . 1 1 A 33 33 SER CB C 33 64.000 63.367 0.633 2
1 256 . 1 1 A 34 34 TYR HA H 34 4.630 4.807 -0.177 2
1 263 . 1 1 A 34 34 TYR CA C 34 56.900 57.554 -0.654 2
1 264 . 1 1 A 34 34 TYR CB C 34 40.700 39.395 1.305 2
1 267 . 1 1 A 36 36 PHE HA H 36 3.910 4.346 -0.436 2
1 275 . 1 1 A 36 36 PHE CA C 36 62.000 59.443 2.557 2
1 276 . 1 1 A 36 36 PHE CB C 36 39.200 39.043 0.157 2
1 280 . 1 1 A 37 37 PHE H H 37 8.090 8.404 -0.314 2
1 281 . 1 1 A 37 37 PHE HA H 37 3.980 4.432 -0.452 2
1 289 . 1 1 A 37 37 PHE CA C 37 61.600 59.807 1.793 2
1 290 . 1 1 A 37 37 PHE CB C 37 38.600 39.495 -0.895 2
1 294 . 1 1 A 37 37 PHE N N 37 116.200 118.690 -2.490 2
1 295 . 1 1 A 38 38 GLU H H 38 9.000 8.462 0.538 2
1 296 . 1 1 A 38 38 GLU HA H 38 4.130 4.066 0.064 2
1 301 . 1 1 A 38 38 GLU CA C 38 57.700 58.852 -1.152 2
1 302 . 1 1 A 38 38 GLU CB C 38 30.600 29.707 0.893 2
1 304 . 1 1 A 38 38 GLU N N 38 116.000 120.227 -4.227 2
1 305 . 1 1 A 39 39 THR H H 39 7.390 7.835 -0.445 2
1 306 . 1 1 A 39 39 THR HA H 39 4.280 4.286 -0.006 2
1 311 . 1 1 A 39 39 THR CA C 39 64.100 63.595 0.505 2
1 312 . 1 1 A 39 39 THR CB C 39 70.000 69.848 0.152 2
1 314 . 1 1 A 39 39 THR N N 39 110.400 112.995 -2.595 2
1 315 . 1 1 A 40 40 ILE H H 40 7.250 7.408 -0.158 2
1 316 . 1 1 A 40 40 ILE HA H 40 2.570 3.913 -1.343 2
1 326 . 1 1 A 40 40 ILE CA C 40 65.800 61.231 4.569 2
1 327 . 1 1 A 40 40 ILE CB C 40 37.300 36.119 1.181 2
1 331 . 1 1 A 40 40 ILE N N 40 120.900 119.872 1.028 2
1 332 . 1 1 A 41 41 LYS H H 41 8.400 7.948 0.452 2
1 333 . 1 1 A 41 41 LYS HA H 41 3.650 4.314 -0.664 2
1 336 . 1 1 A 41 41 LYS CA C 41 59.000 58.526 0.474 2
1 337 . 1 1 A 41 41 LYS CB C 41 29.700 33.395 -3.695 2
1 338 . 1 1 A 41 41 LYS N N 41 118.800 124.036 -5.236 2
1 339 . 1 1 A 42 42 PRO HA H 42 4.280 4.300 -0.020 2
1 346 . 1 1 A 42 42 PRO CA C 42 65.300 66.118 -0.818 2
1 347 . 1 1 A 42 42 PRO CB C 42 30.200 30.767 -0.567 2
1 350 . 1 1 A 43 43 ALA H H 43 6.790 7.981 -1.191 2
1 351 . 1 1 A 43 43 ALA HA H 43 4.190 4.066 0.124 2
1 355 . 1 1 A 43 43 ALA CA C 43 54.900 55.132 -0.232 2
1 356 . 1 1 A 43 43 ALA CB C 43 18.000 18.363 -0.363 2
1 357 . 1 1 A 43 43 ALA N N 43 119.500 119.077 0.423 2
1 358 . 1 1 A 44 44 VAL H H 44 8.380 7.830 0.550 2
1 359 . 1 1 A 44 44 VAL HA H 44 3.460 3.433 0.027 2
1 367 . 1 1 A 44 44 VAL CA C 44 67.200 66.760 0.440 2
1 368 . 1 1 A 44 44 VAL CB C 44 31.500 31.487 0.013 2
1 371 . 1 1 A 44 44 VAL N N 44 120.500 118.327 2.173 2
1 372 . 1 1 A 45 45 GLU H H 45 8.410 8.257 0.153 2
1 373 . 1 1 A 45 45 GLU HA H 45 4.060 3.948 0.112 2
1 378 . 1 1 A 45 45 GLU CA C 45 59.600 59.821 -0.221 2
1 379 . 1 1 A 45 45 GLU CB C 45 29.300 29.419 -0.119 2
1 381 . 1 1 A 45 45 GLU N N 45 118.400 118.691 -0.291 2
1 382 . 1 1 A 46 46 GLU H H 46 8.390 8.078 0.312 2
1 383 . 1 1 A 46 46 GLU HA H 46 4.200 4.100 0.100 2
1 388 . 1 1 A 46 46 GLU CA C 46 58.900 59.119 -0.219 2
1 389 . 1 1 A 46 46 GLU CB C 46 29.300 29.226 0.074 2
1 391 . 1 1 A 46 46 GLU N N 46 118.800 120.600 -1.800 2
1 392 . 1 1 A 47 47 ASN H H 47 7.700 8.457 -0.757 2
1 393 . 1 1 A 47 47 ASN HA H 47 4.900 4.692 0.208 2
1 398 . 1 1 A 47 47 ASN CA C 47 57.100 56.049 1.051 2
1 399 . 1 1 A 47 47 ASN CB C 47 39.000 38.039 0.961 2
1 400 . 1 1 A 47 47 ASN N N 47 118.000 118.742 -0.742 2
1 402 . 1 1 A 48 48 ASP H H 48 8.810 8.493 0.317 2
1 403 . 1 1 A 48 48 ASP HA H 48 4.520 4.358 0.162 2
1 406 . 1 1 A 48 48 ASP CA C 48 57.800 57.699 0.101 2
1 407 . 1 1 A 48 48 ASP CB C 48 41.700 41.778 -0.078 2
1 408 . 1 1 A 48 48 ASP N N 48 124.000 119.284 4.715 2
1 409 . 1 1 A 49 49 GLU H H 49 7.310 8.062 -0.752 2
1 410 . 1 1 A 49 49 GLU HA H 49 4.070 4.095 -0.025 2
1 415 . 1 1 A 49 49 GLU CA C 49 59.500 59.233 0.267 2
1 416 . 1 1 A 49 49 GLU CB C 49 29.300 29.542 -0.242 2
1 418 . 1 1 A 49 49 GLU N N 49 117.600 118.322 -0.722 2
1 419 . 1 1 A 50 50 LEU H H 50 7.590 8.435 -0.845 2
1 420 . 1 1 A 50 50 LEU HA H 50 4.160 4.153 0.007 2
1 430 . 1 1 A 50 50 LEU CA C 50 58.000 58.138 -0.138 2
1 431 . 1 1 A 50 50 LEU CB C 50 41.800 41.686 0.114 2
1 435 . 1 1 A 50 50 LEU N N 50 119.500 121.977 -2.477 2
1 436 . 1 1 A 51 51 ALA H H 51 8.620 8.734 -0.114 2
1 437 . 1 1 A 51 51 ALA HA H 51 4.210 4.001 0.209 2
1 441 . 1 1 A 51 51 ALA CA C 51 54.900 55.357 -0.457 2
1 442 . 1 1 A 51 51 ALA CB C 51 18.600 18.086 0.514 2
1 443 . 1 1 A 51 51 ALA N N 51 118.900 120.775 -1.875 2
1 444 . 1 1 A 52 52 ALA H H 52 8.410 8.111 0.299 2
1 445 . 1 1 A 52 52 ALA HA H 52 4.210 4.093 0.117 2
1 449 . 1 1 A 52 52 ALA CA C 52 55.100 55.352 -0.252 2
1 450 . 1 1 A 52 52 ALA CB C 52 18.400 18.237 0.163 2
1 451 . 1 1 A 52 52 ALA N N 52 119.400 120.717 -1.317 2
1 452 . 1 1 A 53 53 ARG H H 53 8.070 8.124 -0.054 2
1 453 . 1 1 A 53 53 ARG HA H 53 4.130 4.105 0.025 2
1 460 . 1 1 A 53 53 ARG CA C 53 59.100 58.929 0.171 2
1 461 . 1 1 A 53 53 ARG CB C 53 30.900 29.853 1.047 2
1 464 . 1 1 A 53 53 ARG N N 53 119.500 118.476 1.024 2
1 465 . 1 1 A 54 54 TRP H H 54 9.270 8.430 0.840 2
1 466 . 1 1 A 54 54 TRP HA H 54 3.830 4.231 -0.401 2
1 475 . 1 1 A 54 54 TRP CA C 54 62.400 61.361 1.039 2
1 476 . 1 1 A 54 54 TRP CB C 54 29.200 29.217 -0.017 2
1 482 . 1 1 A 54 54 TRP N N 54 124.000 122.224 1.776 2
1 484 . 1 1 A 55 55 ALA H H 55 8.810 8.546 0.264 2
1 485 . 1 1 A 55 55 ALA HA H 55 3.220 3.851 -0.631 2
1 489 . 1 1 A 55 55 ALA CA C 55 55.100 55.322 -0.222 2
1 490 . 1 1 A 55 55 ALA CB C 55 17.500 18.088 -0.588 2
1 491 . 1 1 A 55 55 ALA N N 55 120.800 121.484 -0.684 2
1 492 . 1 1 A 56 56 GLU H H 56 7.460 8.177 -0.717 2
1 493 . 1 1 A 56 56 GLU HA H 56 3.880 4.000 -0.120 2
1 498 . 1 1 A 56 56 GLU CA C 56 59.200 59.316 -0.116 2
1 499 . 1 1 A 56 56 GLU CB C 56 29.500 29.151 0.349 2
1 501 . 1 1 A 56 56 GLU N N 56 114.800 118.117 -3.316 2
1 502 . 1 1 A 57 57 GLY H H 57 7.650 8.354 -0.704 2
1 503 . 1 1 A 57 57 GLY HA2 H 57 3.490 3.742 -0.252 2
1 504 . 1 1 A 57 57 GLY HA3 H 57 3.850 3.781 0.069 2
1 505 . 1 1 A 57 57 GLY CA C 57 47.100 47.007 0.093 2
1 506 . 1 1 A 57 57 GLY N N 57 106.000 108.723 -2.723 2
1 507 . 1 1 A 58 58 ALA H H 58 8.950 8.002 0.948 2
1 508 . 1 1 A 58 58 ALA HA H 58 3.640 3.711 -0.071 2
1 512 . 1 1 A 58 58 ALA CA C 58 54.500 54.506 -0.006 2
1 513 . 1 1 A 58 58 ALA CB C 58 16.700 18.473 -1.773 2
1 514 . 1 1 A 58 58 ALA N N 58 127.400 124.803 2.597 2
1 515 . 1 1 A 59 59 LEU H H 59 8.370 8.364 0.006 2
1 516 . 1 1 A 59 59 LEU HA H 59 3.920 3.851 0.069 2
1 526 . 1 1 A 59 59 LEU CA C 59 57.300 57.700 -0.400 2
1 527 . 1 1 A 59 59 LEU CB C 59 40.800 41.225 -0.425 2
1 531 . 1 1 A 59 59 LEU N N 59 116.800 118.918 -2.118 2
1 532 . 1 1 A 60 60 GLU H H 60 7.310 8.009 -0.699 2
1 533 . 1 1 A 60 60 GLU HA H 60 4.030 3.979 0.051 2
1 538 . 1 1 A 60 60 GLU CA C 60 58.800 59.225 -0.425 2
1 539 . 1 1 A 60 60 GLU CB C 60 28.900 29.414 -0.514 2
1 541 . 1 1 A 60 60 GLU N N 60 119.000 120.637 -1.637 2
1 542 . 1 1 A 61 61 LEU H H 61 7.700 7.883 -0.182 2
1 543 . 1 1 A 61 61 LEU HA H 61 4.000 4.008 -0.008 2
1 553 . 1 1 A 61 61 LEU CA C 61 58.100 58.118 -0.018 2
1 554 . 1 1 A 61 61 LEU CB C 61 41.400 41.624 -0.224 2
1 558 . 1 1 A 61 61 LEU N N 61 120.800 120.243 0.557 2
1 559 . 1 1 A 62 62 ILE H H 62 7.510 7.776 -0.266 2
1 560 . 1 1 A 62 62 ILE HA H 62 4.040 3.970 0.069 2
1 570 . 1 1 A 62 62 ILE CA C 62 63.200 63.869 -0.669 2
1 571 . 1 1 A 62 62 ILE CB C 62 37.200 37.329 -0.129 2
1 575 . 1 1 A 62 62 ILE N N 62 110.700 114.642 -3.942 2
1 576 . 1 1 A 63 63 LYS H H 63 7.520 7.772 -0.252 2
1 577 . 1 1 A 63 63 LYS HA H 63 4.070 4.040 0.030 2
1 586 . 1 1 A 63 63 LYS CA C 63 58.600 58.993 -0.393 2
1 587 . 1 1 A 63 63 LYS CB C 63 32.800 32.179 0.620 2
1 590 . 1 1 A 63 63 LYS N N 63 121.100 122.149 -1.049 2
1 591 . 1 1 A 64 64 VAL H H 64 7.630 7.499 0.131 2
1 592 . 1 1 A 64 64 VAL HA H 64 3.950 3.723 0.227 2
1 600 . 1 1 A 64 64 VAL CA C 64 63.900 65.568 -1.668 2
1 601 . 1 1 A 64 64 VAL CB C 64 32.400 32.241 0.159 2
1 604 . 1 1 A 64 64 VAL N N 64 115.200 119.396 -4.196 2
1 605 . 1 1 A 65 65 ARG H H 65 7.980 7.970 0.010 2
1 606 . 1 1 A 65 65 ARG HA H 65 4.390 4.583 -0.193 2
1 613 . 1 1 A 65 65 ARG CA C 65 55.200 55.373 -0.173 2
1 614 . 1 1 A 65 65 ARG CB C 65 31.500 32.192 -0.692 2
1 617 . 1 1 A 65 65 ARG N N 65 118.300 118.925 -0.625 2
1 618 . 1 1 A 66 66 ARG HA H 66 4.340 4.655 -0.316 2
1 621 . 1 1 A 66 66 ARG CA C 66 54.900 53.915 0.985 2
1 622 . 1 1 A 66 66 ARG CB C 66 29.200 31.341 -2.141 2
1 629 . 1 1 A 68 68 LYS HA H 68 4.100 4.191 -0.091 2
1 638 . 1 1 A 68 68 LYS CA C 68 57.900 57.573 0.327 2
1 639 . 1 1 A 68 68 LYS CB C 68 34.100 33.216 0.884 2
1 643 . 1 1 A 69 69 TYR HA H 69 4.760 4.449 0.311 2
1 650 . 1 1 A 69 69 TYR CA C 69 57.800 60.024 -2.224 2
1 651 . 1 1 A 69 69 TYR CB C 69 39.600 39.198 0.402 2
1 654 . 1 1 A 70 70 VAL H H 70 6.950 7.914 -0.964 2
1 655 . 1 1 A 70 70 VAL HA H 70 4.720 4.222 0.498 2
1 663 . 1 1 A 70 70 VAL CA C 70 60.000 61.991 -1.991 2
1 664 . 1 1 A 70 70 VAL CB C 70 34.500 32.900 1.600 2
1 667 . 1 1 A 70 70 VAL N N 70 115.400 119.267 -3.867 2
1 668 . 1 1 A 71 71 HIS H H 71 7.870 8.800 -0.930 2
1 669 . 1 1 A 71 71 HIS HA H 71 4.910 5.006 -0.096 2
1 673 . 1 1 A 71 71 HIS CA C 71 54.100 54.657 -0.557 2
1 674 . 1 1 A 71 71 HIS CB C 71 33.700 33.018 0.682 2
1 676 . 1 1 A 71 71 HIS N N 71 120.600 125.387 -4.787 2
1 677 . 1 1 A 72 72 LYS H H 72 8.400 8.814 -0.414 2
1 678 . 1 1 A 72 72 LYS HA H 72 3.680 3.868 -0.188 2
1 687 . 1 1 A 72 72 LYS CA C 72 60.600 59.772 0.828 2
1 688 . 1 1 A 72 72 LYS CB C 72 32.800 32.105 0.695 2
1 692 . 1 1 A 73 73 GLU H H 73 9.680 8.398 1.282 2
1 693 . 1 1 A 73 73 GLU HA H 73 4.170 4.059 0.111 2
1 698 . 1 1 A 73 73 GLU CA C 73 60.000 59.579 0.421 2
1 699 . 1 1 A 73 73 GLU CB C 73 28.300 29.281 -0.981 2
1 701 . 1 1 A 73 73 GLU N N 73 117.300 119.031 -1.731 2
1 702 . 1 1 A 74 74 GLN H H 74 7.360 7.913 -0.553 2
1 703 . 1 1 A 74 74 GLN HA H 74 4.180 4.097 0.083 2
1 710 . 1 1 A 74 74 GLN CA C 74 58.300 58.745 -0.444 2
1 711 . 1 1 A 74 74 GLN CB C 74 28.300 28.429 -0.129 2
1 713 . 1 1 A 74 74 GLN N N 74 117.700 119.028 -1.328 2
1 715 . 1 1 A 75 75 ILE H H 75 7.530 7.998 -0.468 2
1 716 . 1 1 A 75 75 ILE HA H 75 3.780 3.838 -0.058 2
1 726 . 1 1 A 75 75 ILE CA C 75 64.100 65.668 -1.568 2
1 727 . 1 1 A 75 75 ILE CB C 75 36.800 37.697 -0.897 2
1 731 . 1 1 A 75 75 ILE N N 75 120.600 121.146 -0.546 2
1 732 . 1 1 A 76 76 GLU H H 76 8.340 8.077 0.263 2
1 733 . 1 1 A 76 76 GLU HA H 76 3.970 4.101 -0.131 2
1 738 . 1 1 A 76 76 GLU CA C 76 59.200 59.436 -0.236 2
1 739 . 1 1 A 76 76 GLU CB C 76 29.700 28.972 0.728 2
1 741 . 1 1 A 76 76 GLU N N 76 117.500 120.914 -3.414 2
1 742 . 1 1 A 77 77 ALA H H 77 7.390 7.862 -0.472 2
1 743 . 1 1 A 77 77 ALA HA H 77 4.370 4.123 0.247 2
1 747 . 1 1 A 77 77 ALA CA C 77 53.400 55.074 -1.674 2
1 748 . 1 1 A 77 77 ALA CB C 77 18.800 18.436 0.364 2
1 749 . 1 1 A 77 77 ALA N N 77 118.600 123.066 -4.466 2
1 750 . 1 1 A 78 78 VAL H H 78 7.620 8.461 -0.841 2
1 751 . 1 1 A 78 78 VAL HA H 78 3.720 3.461 0.259 2
1 759 . 1 1 A 78 78 VAL CA C 78 66.700 67.091 -0.390 2
1 760 . 1 1 A 78 78 VAL CB C 78 31.500 31.502 -0.002 2
1 763 . 1 1 A 78 78 VAL N N 78 116.800 118.794 -1.994 2
1 764 . 1 1 A 79 79 LYS H H 79 8.570 8.059 0.511 2
1 765 . 1 1 A 79 79 LYS HA H 79 3.780 4.046 -0.266 2
1 774 . 1 1 A 79 79 LYS CA C 79 61.800 59.949 1.851 2
1 775 . 1 1 A 79 79 LYS CB C 79 31.500 32.422 -0.922 2
1 779 . 1 1 A 79 79 LYS N N 79 119.500 120.298 -0.798 2
1 780 . 1 1 A 80 80 ASP H H 80 8.350 7.951 0.399 2
1 781 . 1 1 A 80 80 ASP HA H 80 4.490 4.411 0.079 2
1 784 . 1 1 A 80 80 ASP CA C 80 57.300 57.482 -0.182 2
1 785 . 1 1 A 80 80 ASP CB C 80 40.000 41.150 -1.150 2
1 786 . 1 1 A 80 80 ASP N N 80 115.500 119.726 -4.226 2
1 787 . 1 1 A 81 81 ASN H H 81 7.690 8.555 -0.865 2
1 788 . 1 1 A 81 81 ASN HA H 81 4.540 4.455 0.086 2
1 793 . 1 1 A 81 81 ASN CA C 81 55.500 56.386 -0.886 2
1 794 . 1 1 A 81 81 ASN CB C 81 38.600 37.982 0.618 2
1 795 . 1 1 A 81 81 ASN N N 81 118.300 117.424 0.876 2
1 797 . 1 1 A 82 82 PHE H H 82 9.620 8.556 1.064 2
1 798 . 1 1 A 82 82 PHE HA H 82 4.060 4.115 -0.055 2
1 806 . 1 1 A 82 82 PHE CA C 82 60.900 61.311 -0.411 2
1 807 . 1 1 A 82 82 PHE CB C 82 39.500 39.317 0.183 2
1 811 . 1 1 A 82 82 PHE N N 82 121.400 122.870 -1.470 2
1 812 . 1 1 A 83 83 LEU H H 83 8.210 8.360 -0.150 2
1 813 . 1 1 A 83 83 LEU HA H 83 3.900 3.794 0.106 2
1 823 . 1 1 A 83 83 LEU CA C 83 57.000 57.858 -0.858 2
1 824 . 1 1 A 83 83 LEU CB C 83 40.400 41.313 -0.913 2
1 828 . 1 1 A 83 83 LEU N N 83 117.400 119.190 -1.790 2
1 829 . 1 1 A 84 84 GLU H H 84 7.660 8.113 -0.453 2
1 830 . 1 1 A 84 84 GLU HA H 84 4.150 4.057 0.093 2
1 835 . 1 1 A 84 84 GLU CA C 84 59.500 59.286 0.214 2
1 836 . 1 1 A 84 84 GLU CB C 84 28.700 29.500 -0.799 2
1 838 . 1 1 A 84 84 GLU N N 84 121.500 119.248 2.253 2
1 839 . 1 1 A 85 85 LEU H H 85 8.100 8.269 -0.169 2
1 840 . 1 1 A 85 85 LEU HA H 85 3.600 3.946 -0.346 2
1 850 . 1 1 A 85 85 LEU CA C 85 59.300 58.252 1.048 2
1 851 . 1 1 A 85 85 LEU CB C 85 41.800 41.425 0.375 2
1 855 . 1 1 A 85 85 LEU N N 85 121.700 121.765 -0.065 2
1 856 . 1 1 A 86 86 VAL H H 86 8.220 7.916 0.304 2
1 857 . 1 1 A 86 86 VAL HA H 86 3.100 3.399 -0.299 2
1 865 . 1 1 A 86 86 VAL CA C 86 67.200 66.781 0.419 2
1 866 . 1 1 A 86 86 VAL CB C 86 31.500 31.345 0.155 2
1 869 . 1 1 A 86 86 VAL N N 86 118.400 119.076 -0.676 2
1 870 . 1 1 A 87 87 LEU H H 87 8.450 8.083 0.367 2
1 871 . 1 1 A 87 87 LEU HA H 87 3.960 4.067 -0.107 2
1 881 . 1 1 A 87 87 LEU CA C 87 59.100 58.636 0.464 2
1 882 . 1 1 A 87 87 LEU CB C 87 42.300 41.735 0.565 2
1 886 . 1 1 A 87 87 LEU N N 87 120.200 120.102 0.099 2
1 887 . 1 1 A 88 88 GLN H H 88 9.350 8.678 0.672 2
1 888 . 1 1 A 88 88 GLN HA H 88 4.180 4.104 0.076 2
1 895 . 1 1 A 88 88 GLN CA C 88 57.300 58.085 -0.785 2
1 896 . 1 1 A 88 88 GLN CB C 88 25.400 27.888 -2.488 2
1 898 . 1 1 A 88 88 GLN N N 88 114.900 117.792 -2.892 2
1 900 . 1 1 A 89 89 SER H H 89 8.680 7.733 0.947 2
1 901 . 1 1 A 89 89 SER HA H 89 4.080 4.073 0.007 2
1 904 . 1 1 A 89 89 SER CA C 89 61.900 61.191 0.709 2
1 905 . 1 1 A 89 89 SER CB C 89 62.200 62.815 -0.615 2
1 906 . 1 1 A 89 89 SER N N 89 117.500 116.165 1.335 2
1 907 . 1 1 A 90 90 TYR H H 90 7.330 7.336 -0.006 2
1 908 . 1 1 A 90 90 TYR HA H 90 4.320 4.219 0.101 2
1 915 . 1 1 A 90 90 TYR CA C 90 59.700 60.051 -0.351 2
1 916 . 1 1 A 90 90 TYR CB C 90 41.400 38.924 2.476 2
1 919 . 1 1 A 90 90 TYR N N 90 116.000 119.158 -3.158 2
1 920 . 1 1 A 91 91 VAL H H 91 7.730 7.619 0.111 2
1 921 . 1 1 A 91 91 VAL HA H 91 4.010 4.015 -0.005 2
1 929 . 1 1 A 91 91 VAL CA C 91 62.600 64.120 -1.520 2
1 930 . 1 1 A 91 91 VAL CB C 91 32.700 32.472 0.228 2
1 933 . 1 1 A 91 91 VAL N N 91 110.500 114.700 -4.200 2
1 934 . 1 1 A 92 92 HIS H H 92 8.600 7.812 0.788 2
1 935 . 1 1 A 92 92 HIS HA H 92 4.280 4.357 -0.077 2
1 939 . 1 1 A 92 92 HIS CA C 92 56.000 56.868 -0.869 2
1 940 . 1 1 A 92 92 HIS CB C 92 29.200 26.780 2.420 2
1 942 . 1 1 A 92 92 HIS N N 92 114.500 116.300 -1.800 2
1 943 . 1 1 A 93 93 HIS H H 93 8.350 8.058 0.292 2
1 944 . 1 1 A 93 93 HIS HA H 93 4.780 4.500 0.280 2
1 948 . 1 1 A 93 93 HIS CA C 93 57.600 56.558 1.042 2
1 949 . 1 1 A 93 93 HIS CB C 93 31.900 30.173 1.727 2
1 951 . 1 1 A 93 93 HIS N N 93 118.200 116.969 1.231 2
1 952 . 1 1 A 94 94 ILE H H 94 7.470 7.595 -0.125 2
1 953 . 1 1 A 94 94 ILE HA H 94 4.370 4.496 -0.126 2
1 963 . 1 1 A 94 94 ILE CA C 94 60.900 59.532 1.368 2
1 964 . 1 1 A 94 94 ILE CB C 94 39.600 40.620 -1.020 2
1 968 . 1 1 A 94 94 ILE N N 94 111.400 117.719 -6.319 2
1 969 . 1 1 A 95 95 HIS H H 95 6.990 8.771 -1.781 2
1 970 . 1 1 A 96 96 LYS HA H 96 4.040 4.355 -0.315 2
1 977 . 1 1 A 97 97 LYS HA H 97 4.130 4.030 0.100 2
1 986 . 1 1 A 97 97 LYS CA C 97 59.400 59.703 -0.303 2
1 987 . 1 1 A 97 97 LYS CB C 97 32.000 32.217 -0.217 2
1 991 . 1 1 A 98 98 ARG H H 98 7.150 7.931 -0.781 2
1 992 . 1 1 A 98 98 ARG HA H 98 4.150 4.040 0.110 2
1 999 . 1 1 A 98 98 ARG CA C 98 57.900 59.046 -1.146 2
1 1000 . 1 1 A 98 98 ARG CB C 98 28.600 29.816 -1.216 2
1 1003 . 1 1 A 98 98 ARG N N 98 118.500 119.434 -0.934 2
1 1004 . 1 1 A 99 99 PHE H H 99 8.260 8.110 0.150 2
1 1005 . 1 1 A 99 99 PHE HA H 99 3.450 4.045 -0.595 2
1 1013 . 1 1 A 99 99 PHE CA C 99 62.700 61.332 1.368 2
1 1014 . 1 1 A 99 99 PHE CB C 99 39.200 39.054 0.146 2
1 1018 . 1 1 A 99 99 PHE N N 99 119.100 120.845 -1.745 2
1 1019 . 1 1 A 100 100 LYS H H 100 8.500 8.152 0.348 2
1 1020 . 1 1 A 100 100 LYS HA H 100 3.980 3.886 0.094 2
1 1029 . 1 1 A 100 100 LYS CA C 100 59.300 59.670 -0.370 2
1 1030 . 1 1 A 100 100 LYS CB C 100 31.900 32.256 -0.356 2
1 1034 . 1 1 A 100 100 LYS N N 100 121.700 118.567 3.133 2
1 1035 . 1 1 A 101 101 ASP H H 101 8.150 8.051 0.099 2
1 1036 . 1 1 A 101 101 ASP HA H 101 4.290 4.331 -0.041 2
1 1039 . 1 1 A 101 101 ASP CA C 101 57.300 57.750 -0.450 2
1 1040 . 1 1 A 101 101 ASP CB C 101 39.900 41.527 -1.627 2
1 1041 . 1 1 A 101 101 ASP N N 101 119.800 119.455 0.345 2
1 1042 . 1 1 A 102 102 ILE H H 102 8.220 7.983 0.237 2
1 1043 . 1 1 A 102 102 ILE HA H 102 3.690 3.555 0.135 2
1 1053 . 1 1 A 102 102 ILE CA C 102 65.000 65.112 -0.112 2
1 1054 . 1 1 A 102 102 ILE CB C 102 37.700 37.511 0.189 2
1 1058 . 1 1 A 102 102 ILE N N 102 118.800 119.032 -0.232 2
1 1059 . 1 1 A 103 103 THR H H 103 7.930 7.997 -0.067 2
1 1060 . 1 1 A 103 103 THR HA H 103 3.480 3.683 -0.203 2
1 1066 . 1 1 A 103 103 THR CA C 103 67.300 66.929 0.371 2
1 1067 . 1 1 A 103 103 THR CB C 103 67.700 68.188 -0.488 2
1 1069 . 1 1 A 103 103 THR N N 103 117.900 116.933 0.967 2
1 1070 . 1 1 A 104 104 GLU H H 104 8.470 8.523 -0.053 2
1 1071 . 1 1 A 104 104 GLU HA H 104 3.920 3.925 -0.005 2
1 1076 . 1 1 A 104 104 GLU CA C 104 59.500 59.614 -0.114 2
1 1077 . 1 1 A 104 104 GLU CB C 104 29.200 29.320 -0.120 2
1 1079 . 1 1 A 104 104 GLU N N 104 118.900 121.197 -2.297 2
1 1080 . 1 1 A 105 105 SER H H 105 7.840 8.218 -0.378 2
1 1081 . 1 1 A 105 105 SER HA H 105 4.290 4.179 0.111 2
1 1084 . 1 1 A 105 105 SER CA C 105 60.900 62.245 -1.345 2
1 1085 . 1 1 A 105 105 SER CB C 105 62.700 62.988 -0.288 2
1 1086 . 1 1 A 105 105 SER N N 105 114.200 116.095 -1.895 2
1 1087 . 1 1 A 106 106 VAL H H 106 8.290 8.051 0.239 2
1 1088 . 1 1 A 106 106 VAL HA H 106 3.690 3.614 0.076 2
1 1096 . 1 1 A 106 106 VAL CA C 106 66.300 66.877 -0.577 2
1 1097 . 1 1 A 106 106 VAL CB C 106 31.900 31.708 0.192 2
1 1100 . 1 1 A 106 106 VAL N N 106 122.100 121.736 0.364 2
1 1101 . 1 1 A 107 107 LEU H H 107 8.560 8.521 0.039 2
1 1102 . 1 1 A 107 107 LEU HA H 107 3.900 3.798 0.102 2
1 1112 . 1 1 A 107 107 LEU CA C 107 58.300 58.036 0.264 2
1 1113 . 1 1 A 107 107 LEU CB C 107 41.200 41.606 -0.406 2
1 1117 . 1 1 A 107 107 LEU N N 107 117.500 118.412 -0.912 2
1 1118 . 1 1 A 108 108 TYR H H 108 8.450 8.723 -0.273 2
1 1119 . 1 1 A 108 108 TYR HA H 108 4.170 3.987 0.183 2
1 1126 . 1 1 A 108 108 TYR CA C 108 61.800 61.945 -0.145 2
1 1127 . 1 1 A 108 108 TYR CB C 108 37.900 38.480 -0.580 2
1 1130 . 1 1 A 108 108 TYR N N 108 119.000 119.442 -0.442 2
1 1131 . 1 1 A 109 109 THR H H 109 7.800 7.981 -0.181 2
1 1132 . 1 1 A 109 109 THR HA H 109 3.860 4.082 -0.222 2
1 1137 . 1 1 A 109 109 THR CA C 109 66.800 67.282 -0.482 2
1 1138 . 1 1 A 109 109 THR CB C 109 67.800 68.083 -0.283 2
1 1140 . 1 1 A 109 109 THR N N 109 116.500 115.238 1.262 2
1 1141 . 1 1 A 110 110 LEU H H 110 8.510 8.442 0.068 2
1 1142 . 1 1 A 110 110 LEU HA H 110 3.900 4.033 -0.133 2
1 1152 . 1 1 A 110 110 LEU CA C 110 58.500 57.849 0.651 2
1 1153 . 1 1 A 110 110 LEU CB C 110 41.300 41.673 -0.373 2
1 1157 . 1 1 A 110 110 LEU N N 110 121.000 120.911 0.089 2
1 1158 . 1 1 A 111 111 HIS H H 111 8.440 8.483 -0.043 2
1 1159 . 1 1 A 111 111 HIS HA H 111 4.000 4.211 -0.211 2
1 1163 . 1 1 A 111 111 HIS CA C 111 60.900 60.216 0.684 2
1 1164 . 1 1 A 111 111 HIS CB C 111 29.700 29.244 0.456 2
1 1166 . 1 1 A 111 111 HIS N N 111 116.300 117.715 -1.415 2
1 1167 . 1 1 A 112 112 ALA H H 112 7.920 7.880 0.040 2
1 1168 . 1 1 A 112 112 ALA HA H 112 4.130 3.698 0.432 2
1 1172 . 1 1 A 112 112 ALA CA C 112 55.000 54.984 0.015 2
1 1173 . 1 1 A 112 112 ALA CB C 112 17.600 18.240 -0.640 2
1 1174 . 1 1 A 112 112 ALA N N 112 122.900 122.101 0.799 2
1 1175 . 1 1 A 113 113 VAL H H 113 8.300 8.041 0.259 2
1 1176 . 1 1 A 113 113 VAL HA H 113 3.540 3.485 0.055 2
1 1184 . 1 1 A 113 113 VAL CA C 113 67.200 66.752 0.448 2
1 1185 . 1 1 A 113 113 VAL CB C 113 31.000 31.633 -0.633 2
1 1188 . 1 1 A 113 113 VAL N N 113 119.000 118.656 0.344 2
1 1189 . 1 1 A 114 114 LYS H H 114 8.220 8.339 -0.119 2
1 1190 . 1 1 A 114 114 LYS HA H 114 3.810 3.959 -0.149 2
1 1199 . 1 1 A 114 114 LYS CA C 114 60.800 59.710 1.090 2
1 1200 . 1 1 A 114 114 LYS CB C 114 31.500 32.147 -0.647 2
1 1204 . 1 1 A 114 114 LYS N N 114 120.600 120.417 0.183 2
1 1205 . 1 1 A 115 115 ASP H H 115 8.180 8.032 0.148 2
1 1206 . 1 1 A 115 115 ASP HA H 115 4.300 4.281 0.019 2
1 1209 . 1 1 A 115 115 ASP CA C 115 56.800 57.574 -0.773 2
1 1210 . 1 1 A 115 115 ASP CB C 115 39.600 41.246 -1.646 2
1 1211 . 1 1 A 115 115 ASP N N 115 118.800 119.093 -0.293 2
1 1212 . 1 1 A 116 116 GLU H H 116 7.990 7.903 0.087 2
1 1213 . 1 1 A 116 116 GLU HA H 116 4.060 4.119 -0.059 2
1 1218 . 1 1 A 116 116 GLU CA C 116 58.400 59.224 -0.824 2
1 1219 . 1 1 A 116 116 GLU CB C 116 29.000 29.493 -0.493 2
1 1221 . 1 1 A 116 116 GLU N N 116 120.800 118.378 2.422 2
1 1222 . 1 1 A 117 117 ILE H H 117 8.370 8.173 0.197 2
1 1223 . 1 1 A 117 117 ILE HA H 117 3.610 3.675 -0.065 2
1 1233 . 1 1 A 117 117 ILE CA C 117 64.800 65.668 -0.868 2
1 1234 . 1 1 A 117 117 ILE CB C 117 38.600 38.146 0.454 2
1 1238 . 1 1 A 117 117 ILE N N 117 119.700 121.097 -1.397 2
1 1239 . 1 1 A 118 118 ALA H H 118 7.720 8.002 -0.282 2
1 1240 . 1 1 A 118 118 ALA HA H 118 4.250 4.131 0.119 2
1 1244 . 1 1 A 118 118 ALA CA C 118 52.900 54.547 -1.647 2
1 1245 . 1 1 A 118 118 ALA CB C 118 18.700 18.292 0.408 2
1 1246 . 1 1 A 118 118 ALA N N 118 119.900 121.961 -2.061 2
1 1247 . 1 1 A 119 119 ARG H H 119 7.450 7.918 -0.468 2
1 1248 . 1 1 A 119 119 ARG HA H 119 4.110 4.093 0.017 2
1 1255 . 1 1 A 119 119 ARG CA C 119 57.600 58.844 -1.244 2
1 1256 . 1 1 A 119 119 ARG CB C 119 31.000 29.951 1.049 2
1 1259 . 1 1 A 119 119 ARG N N 119 118.400 118.735 -0.335 2
1 1260 . 1 1 A 120 120 GLU H H 120 8.890 8.001 0.889 2
1 1261 . 1 1 A 120 120 GLU HA H 120 4.280 4.228 0.052 2
1 1266 . 1 1 A 120 120 GLU CA C 120 57.600 58.520 -0.920 2
1 1267 . 1 1 A 120 120 GLU CB C 120 30.100 30.094 0.006 2
1 1269 . 1 1 A 120 120 GLU N N 120 114.900 118.121 -3.221 2
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save_