data_16253_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16253
_Entry.PDB_ID 2KHR
_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 3 . 1 1 1 A 4 4 MET H H 2 8.430 8.280 0.150 1
1 7 . 1 1 1 A 4 4 MET C C 2 176.000 174.042 1.958 1
1 8 . 1 1 1 A 4 4 MET CA C 2 55.400 57.838 -2.438 1
1 9 . 1 1 1 A 4 4 MET CB C 2 32.900 64.867 -31.967 1
1 11 . 1 1 1 A 4 4 MET N N 2 120.500 119.016 1.484 1
1 12 . 1 1 1 A 5 5 SER H H 3 8.400 8.850 -0.450 1
1 13 . 1 1 1 A 5 5 SER HA H 3 4.500 4.741 -0.241 1
1 16 . 1 1 1 A 5 5 SER C C 3 174.700 174.851 -0.151 1
1 17 . 1 1 1 A 5 5 SER CA C 3 58.400 56.332 2.068 1
1 18 . 1 1 1 A 5 5 SER CB C 3 63.800 30.359 33.441 1
1 19 . 1 1 1 A 5 5 SER N N 3 117.300 126.113 -8.813 1
1 20 . 1 1 1 A 6 6 THR H H 4 8.210 7.695 0.515 1
1 21 . 1 1 1 A 6 6 THR HA H 4 4.330 4.188 0.142 1
1 26 . 1 1 1 A 6 6 THR C C 4 174.000 174.765 -0.765 1
1 27 . 1 1 1 A 6 6 THR CA C 4 61.900 55.875 6.025 1
1 28 . 1 1 1 A 6 6 THR CB C 4 69.900 33.029 36.871 1
1 30 . 1 1 1 A 6 6 THR N N 4 115.400 120.837 -5.437 1
1 31 . 1 1 1 A 7 7 ASN H H 5 8.440 8.747 -0.307 1
1 32 . 1 1 1 A 7 7 ASN HA H 5 4.950 4.559 0.391 1
1 37 . 1 1 1 A 7 7 ASN CA C 5 50.900 57.966 -7.066 1
1 38 . 1 1 1 A 7 7 ASN CB C 5 39.000 61.387 -22.387 1
1 39 . 1 1 1 A 7 7 ASN N N 5 121.600 123.075 -1.475 1
1 41 . 1 1 1 A 8 8 PRO HA H 6 4.310 4.260 0.050 1
1 48 . 1 1 1 A 8 8 PRO C C 6 177.100 175.099 2.001 1
1 49 . 1 1 1 A 8 8 PRO CA C 6 64.000 63.593 0.407 1
1 50 . 1 1 1 A 8 8 PRO CB C 6 32.100 69.169 -37.069 1
1 53 . 1 1 1 A 9 9 PHE H H 7 8.020 7.757 0.263 1
1 54 . 1 1 1 A 9 9 PHE HA H 7 4.480 5.076 -0.596 1
1 59 . 1 1 1 A 9 9 PHE CA C 7 58.300 49.898 8.402 1
1 60 . 1 1 1 A 9 9 PHE CB C 7 38.800 39.184 -0.384 1
1 63 . 1 1 1 A 9 9 PHE N N 7 117.200 119.475 -2.275 1
1 64 . 1 1 1 A 12 12 ASP C C 10 176.700 175.363 1.337 1
1 65 . 1 1 1 A 12 12 ASP CA C 10 54.800 56.377 -1.577 1
1 66 . 1 1 1 A 12 12 ASP CB C 10 41.000 41.628 -0.628 1
1 67 . 1 1 1 A 13 13 ASN H H 11 8.490 7.870 0.620 1
1 70 . 1 1 1 A 13 13 ASN C C 11 175.700 173.474 2.226 1
1 71 . 1 1 1 A 13 13 ASN CA C 11 53.400 53.804 -0.404 1
1 72 . 1 1 1 A 13 13 ASN CB C 11 39.200 44.919 -5.719 1
1 73 . 1 1 1 A 13 13 ASN N N 11 118.500 117.622 0.878 1
1 75 . 1 1 1 A 14 14 GLY H H 12 8.200 8.762 -0.562 1
1 78 . 1 1 1 A 14 14 GLY C C 12 172.200 175.738 -3.538 1
1 79 . 1 1 1 A 14 14 GLY CA C 12 45.200 53.755 -8.555 1
1 80 . 1 1 1 A 14 14 GLY N N 12 108.500 124.352 -15.852 1
1 81 . 1 1 1 A 15 15 ALA H H 13 7.670 9.145 -1.475 1
1 82 . 1 1 1 A 15 15 ALA HA H 13 4.600 4.738 -0.138 1
1 86 . 1 1 1 A 15 15 ALA C C 13 176.500 175.061 1.439 1
1 87 . 1 1 1 A 15 15 ALA CA C 13 51.400 54.542 -3.142 1
1 88 . 1 1 1 A 15 15 ALA CB C 13 21.000 39.605 -18.605 1
1 89 . 1 1 1 A 15 15 ALA N N 13 122.600 126.400 -3.800 1
1 90 . 1 1 1 A 16 16 PHE H H 14 9.350 7.792 1.558 1
1 98 . 1 1 1 A 16 16 PHE C C 14 174.300 173.221 1.079 1
1 99 . 1 1 1 A 16 16 PHE CA C 14 57.600 44.542 13.058 1
1 105 . 1 1 1 A 16 16 PHE N N 14 120.000 107.249 12.751 1
1 106 . 1 1 1 A 17 17 PHE H H 15 9.550 8.156 1.394 1
1 107 . 1 1 1 A 17 17 PHE HA H 15 5.600 3.763 1.837 1
1 112 . 1 1 1 A 17 17 PHE C C 15 177.700 176.755 0.945 1
1 113 . 1 1 1 A 17 17 PHE CA C 15 55.900 51.821 4.079 1
1 114 . 1 1 1 A 17 17 PHE CB C 15 44.100 19.811 24.289 1
1 117 . 1 1 1 A 17 17 PHE N N 15 115.700 124.000 -8.300 1
1 118 . 1 1 1 A 18 18 VAL H H 16 8.670 7.961 0.709 1
1 119 . 1 1 1 A 18 18 VAL HA H 16 4.220 5.538 -1.318 1
1 127 . 1 1 1 A 18 18 VAL C C 16 175.200 172.754 2.446 1
1 128 . 1 1 1 A 18 18 VAL CA C 16 62.700 55.686 7.014 1
1 129 . 1 1 1 A 18 18 VAL CB C 16 32.700 42.049 -9.349 1
1 132 . 1 1 1 A 18 18 VAL N N 16 117.200 115.237 1.963 1
1 133 . 1 1 1 A 19 19 LEU H H 17 9.500 9.780 -0.280 1
1 134 . 1 1 1 A 19 19 LEU HA H 17 5.730 5.272 0.458 1
1 144 . 1 1 1 A 19 19 LEU C C 17 176.700 175.298 1.402 1
1 145 . 1 1 1 A 19 19 LEU CA C 17 52.100 56.464 -4.364 1
1 146 . 1 1 1 A 19 19 LEU CB C 17 46.800 43.072 3.728 1
1 150 . 1 1 1 A 19 19 LEU N N 17 127.100 118.683 8.417 1
1 151 . 1 1 1 A 20 20 VAL H H 18 9.170 9.097 0.073 1
1 152 . 1 1 1 A 20 20 VAL HA H 18 5.710 4.578 1.132 1
1 160 . 1 1 1 A 20 20 VAL C C 18 174.800 174.775 0.025 1
1 161 . 1 1 1 A 20 20 VAL CA C 18 59.300 62.774 -3.474 1
1 162 . 1 1 1 A 20 20 VAL CB C 18 36.700 31.118 5.582 1
1 165 . 1 1 1 A 20 20 VAL N N 18 115.900 122.136 -6.236 1
1 166 . 1 1 1 A 21 21 ASN H H 19 7.320 9.223 -1.903 1
1 167 . 1 1 1 A 21 21 ASN HA H 19 4.720 5.404 -0.684 1
1 170 . 1 1 1 A 21 21 ASN C C 19 177.700 174.700 3.000 1
1 171 . 1 1 1 A 21 21 ASN CA C 19 49.700 53.450 -3.750 1
1 172 . 1 1 1 A 21 21 ASN CB C 19 37.500 45.352 -7.852 1
1 173 . 1 1 1 A 21 21 ASN N N 19 122.600 130.165 -7.565 1
1 174 . 1 1 1 A 22 22 ASP H H 20 8.240 9.397 -1.157 1
1 175 . 1 1 1 A 22 22 ASP HA H 20 4.400 4.808 -0.408 1
1 178 . 1 1 1 A 22 22 ASP C C 20 176.600 175.460 1.140 1
1 179 . 1 1 1 A 22 22 ASP CA C 20 56.400 60.726 -4.326 1
1 180 . 1 1 1 A 22 22 ASP CB C 20 40.100 34.906 5.194 1
1 181 . 1 1 1 A 22 22 ASP N N 20 117.500 126.898 -9.398 1
1 182 . 1 1 1 A 23 23 GLU H H 21 7.220 8.358 -1.138 1
1 183 . 1 1 1 A 23 23 GLU HA H 21 4.380 5.242 -0.862 1
1 188 . 1 1 1 A 23 23 GLU C C 21 175.500 175.805 -0.305 1
1 189 . 1 1 1 A 23 23 GLU CA C 21 55.600 50.741 4.859 1
1 190 . 1 1 1 A 23 23 GLU CB C 21 29.500 39.932 -10.432 1
1 192 . 1 1 1 A 23 23 GLU N N 21 118.100 124.811 -6.711 1
1 193 . 1 1 1 A 24 24 ASP H H 22 8.030 8.831 -0.801 1
1 194 . 1 1 1 A 24 24 ASP HA H 22 4.280 4.383 -0.103 1
1 197 . 1 1 1 A 24 24 ASP CA C 22 56.200 57.010 -0.810 1
1 198 . 1 1 1 A 24 24 ASP CB C 22 40.000 40.475 -0.475 1
1 199 . 1 1 1 A 24 24 ASP N N 22 115.700 119.939 -4.239 1
1 200 . 1 1 1 A 25 25 GLN H H 23 7.710 7.714 -0.004 1
1 201 . 1 1 1 A 25 25 GLN HA H 23 4.270 4.444 -0.174 1
1 206 . 1 1 1 A 25 25 GLN C C 23 175.300 175.202 0.098 1
1 207 . 1 1 1 A 25 25 GLN CA C 23 55.200 55.905 -0.705 1
1 208 . 1 1 1 A 25 25 GLN CB C 23 29.400 30.037 -0.637 1
1 209 . 1 1 1 A 25 25 GLN N N 23 116.800 116.091 0.709 1
1 210 . 1 1 1 A 26 26 HIS H H 24 8.870 7.938 0.932 1
1 211 . 1 1 1 A 26 26 HIS HA H 24 6.030 4.961 1.069 1
1 214 . 1 1 1 A 26 26 HIS CA C 24 54.400 52.138 2.262 1
1 215 . 1 1 1 A 26 26 HIS CB C 24 32.700 43.403 -10.703 1
1 216 . 1 1 1 A 26 26 HIS N N 24 113.400 121.289 -7.889 1
1 219 . 1 1 1 A 27 27 SER CB C 25 66.800 30.893 35.907 1
1 220 . 1 1 1 A 28 28 LEU HA H 26 5.430 4.940 0.490 1
1 230 . 1 1 1 A 28 28 LEU CA C 26 56.100 54.824 1.276 1
1 231 . 1 1 1 A 28 28 LEU CB C 26 43.600 31.607 11.993 1
1 235 . 1 1 1 A 29 29 TRP HA H 27 5.320 4.930 0.390 1
1 242 . 1 1 1 A 29 29 TRP CA C 27 54.100 57.480 -3.380 1
1 243 . 1 1 1 A 29 29 TRP CB C 27 36.000 66.524 -30.524 1
1 248 . 1 1 1 A 30 30 PRO C C 28 177.500 175.535 1.965 1
1 249 . 1 1 1 A 30 30 PRO CA C 28 62.400 53.490 8.910 1
1 250 . 1 1 1 A 30 30 PRO CB C 28 31.700 42.622 -10.922 1
1 253 . 1 1 1 A 31 31 VAL H H 29 7.000 9.553 -2.553 1
1 254 . 1 1 1 A 31 31 VAL HA H 29 3.710 5.452 -1.742 1
1 262 . 1 1 1 A 31 31 VAL CA C 29 63.600 54.938 8.662 1
1 263 . 1 1 1 A 31 31 VAL CB C 29 31.200 31.531 -0.331 1
1 266 . 1 1 1 A 31 31 VAL N N 29 114.100 127.640 -13.540 1
1 270 . 1 1 1 A 33 33 ALA C C 31 177.500 175.914 1.586 1
1 271 . 1 1 1 A 33 33 ALA CA C 31 50.900 62.242 -11.342 1
1 272 . 1 1 1 A 33 33 ALA CB C 31 20.200 29.887 -9.687 1
1 273 . 1 1 1 A 34 34 ASP H H 32 8.830 8.493 0.337 1
1 274 . 1 1 1 A 34 34 ASP HA H 32 4.500 4.700 -0.200 1
1 277 . 1 1 1 A 34 34 ASP C C 32 176.900 174.819 2.081 1
1 278 . 1 1 1 A 34 34 ASP CA C 32 55.200 58.846 -3.646 1
1 279 . 1 1 1 A 34 34 ASP CB C 32 40.400 41.989 -1.589 1
1 280 . 1 1 1 A 34 34 ASP N N 32 124.600 128.284 -3.684 1
1 281 . 1 1 1 A 35 35 ILE H H 33 8.590 7.358 1.232 1
1 282 . 1 1 1 A 35 35 ILE HA H 33 3.610 4.393 -0.783 1
1 292 . 1 1 1 A 35 35 ILE C C 33 176.100 176.914 -0.814 1
1 293 . 1 1 1 A 35 35 ILE CA C 33 58.600 51.197 7.403 1
1 294 . 1 1 1 A 35 35 ILE CB C 33 37.600 21.373 16.227 1
1 298 . 1 1 1 A 35 35 ILE N N 33 125.200 121.786 3.414 1
1 299 . 1 1 1 A 36 36 PRO HA H 34 4.290 5.145 -0.855 1
1 306 . 1 1 1 A 36 36 PRO C C 34 179.400 175.873 3.527 1
1 307 . 1 1 1 A 36 36 PRO CA C 34 62.600 53.342 9.258 1
1 308 . 1 1 1 A 36 36 PRO CB C 34 31.600 42.147 -10.547 1
1 311 . 1 1 1 A 37 37 ALA H H 35 8.300 8.680 -0.380 1
1 312 . 1 1 1 A 37 37 ALA HA H 35 4.190 4.293 -0.103 1
1 316 . 1 1 1 A 37 37 ALA CA C 35 53.600 57.753 -4.153 1
1 317 . 1 1 1 A 37 37 ALA CB C 35 18.400 37.376 -18.976 1
1 318 . 1 1 1 A 37 37 ALA N N 35 123.600 123.214 0.386 1
1 322 . 1 1 1 A 38 38 GLY C C 36 174.000 175.503 -1.503 1
1 323 . 1 1 1 A 38 38 GLY CA C 36 45.000 64.888 -19.888 1
1 324 . 1 1 1 A 38 38 GLY N N 36 110.200 141.345 -31.145 1
1 325 . 1 1 1 A 39 39 TRP H H 37 7.700 8.095 -0.395 1
1 326 . 1 1 1 A 39 39 TRP HA H 37 4.900 4.789 0.111 1
1 331 . 1 1 1 A 39 39 TRP C C 37 175.000 176.704 -1.704 1
1 332 . 1 1 1 A 39 39 TRP CA C 37 56.000 51.457 4.543 1
1 333 . 1 1 1 A 39 39 TRP CB C 37 31.800 22.337 9.463 1
1 335 . 1 1 1 A 39 39 TRP N N 37 120.800 117.860 2.940 1
1 337 . 1 1 1 A 40 40 ARG H H 38 9.050 8.571 0.479 1
1 344 . 1 1 1 A 40 40 ARG C C 38 174.900 173.821 1.079 1
1 345 . 1 1 1 A 40 40 ARG CA C 38 54.000 46.294 7.706 1
1 349 . 1 1 1 A 40 40 ARG N N 38 118.200 109.140 9.060 1
1 350 . 1 1 1 A 41 41 VAL H H 39 8.660 7.129 1.531 1
1 351 . 1 1 1 A 41 41 VAL HA H 39 4.040 5.244 -1.204 1
1 359 . 1 1 1 A 41 41 VAL C C 39 178.000 174.254 3.746 1
1 360 . 1 1 1 A 41 41 VAL CA C 39 63.800 54.703 9.097 1
1 361 . 1 1 1 A 41 41 VAL CB C 39 32.400 32.816 -0.416 1
1 364 . 1 1 1 A 41 41 VAL N N 39 122.700 118.252 4.448 1
1 365 . 1 1 1 A 42 42 VAL H H 40 9.090 8.762 0.328 1
1 366 . 1 1 1 A 42 42 VAL HA H 40 4.740 4.955 -0.215 1
1 374 . 1 1 1 A 42 42 VAL C C 40 174.800 174.346 0.454 1
1 375 . 1 1 1 A 42 42 VAL CA C 40 61.000 55.417 5.583 1
1 376 . 1 1 1 A 42 42 VAL CB C 40 34.100 34.292 -0.192 1
1 379 . 1 1 1 A 42 42 VAL N N 40 119.800 120.579 -0.779 1
1 380 . 1 1 1 A 43 43 HIS H H 41 7.700 9.221 -1.521 1
1 381 . 1 1 1 A 43 43 HIS HA H 41 4.530 4.358 0.172 1
1 384 . 1 1 1 A 43 43 HIS C C 41 173.400 175.813 -2.413 1
1 385 . 1 1 1 A 43 43 HIS CA C 41 57.500 63.325 -5.825 1
1 386 . 1 1 1 A 43 43 HIS CB C 41 32.800 31.816 0.984 1
1 387 . 1 1 1 A 43 43 HIS N N 41 119.700 127.391 -7.691 1
1 388 . 1 1 1 A 44 44 GLY H H 42 7.590 9.260 -1.670 1
1 391 . 1 1 1 A 44 44 GLY C C 42 174.600 175.700 -1.100 1
1 392 . 1 1 1 A 44 44 GLY CA C 42 42.400 63.675 -21.275 1
1 393 . 1 1 1 A 44 44 GLY N N 42 112.000 128.061 -16.061 1
1 394 . 1 1 1 A 45 45 GLU H H 43 8.700 7.633 1.067 1
1 395 . 1 1 1 A 45 45 GLU HA H 43 4.120 4.685 -0.565 1
1 400 . 1 1 1 A 45 45 GLU C C 43 175.200 173.277 1.923 1
1 401 . 1 1 1 A 45 45 GLU CA C 43 56.900 55.822 1.078 1
1 402 . 1 1 1 A 45 45 GLU CB C 43 30.900 32.569 -1.669 1
1 404 . 1 1 1 A 45 45 GLU N N 43 121.700 117.009 4.691 1
1 405 . 1 1 1 A 46 46 ALA H H 44 9.400 8.166 1.234 1
1 409 . 1 1 1 A 46 46 ALA C C 44 175.100 172.364 2.736 1
1 410 . 1 1 1 A 46 46 ALA CA C 44 51.100 43.252 7.848 1
1 412 . 1 1 1 A 46 46 ALA N N 44 127.000 112.201 14.799 1
1 413 . 1 1 1 A 47 47 SER H H 45 8.710 7.692 1.018 1
1 414 . 1 1 1 A 47 47 SER HA H 45 4.730 4.656 0.074 1
1 417 . 1 1 1 A 47 47 SER C C 45 175.000 176.136 -1.136 1
1 418 . 1 1 1 A 47 47 SER CA C 45 57.900 55.694 2.206 1
1 419 . 1 1 1 A 47 47 SER CB C 45 64.900 29.295 35.605 1
1 420 . 1 1 1 A 47 47 SER N N 45 115.300 117.343 -2.043 1
1 421 . 1 1 1 A 48 48 ARG H H 46 9.520 8.183 1.337 1
1 422 . 1 1 1 A 48 48 ARG HA H 46 3.390 5.037 -1.647 1
1 429 . 1 1 1 A 48 48 ARG C C 46 178.300 176.821 1.479 1
1 430 . 1 1 1 A 48 48 ARG CA C 46 61.000 50.174 10.826 1
1 431 . 1 1 1 A 48 48 ARG CB C 46 30.100 23.108 6.992 1
1 434 . 1 1 1 A 48 48 ARG N N 46 123.400 126.429 -3.029 1
1 435 . 1 1 1 A 49 49 ALA H H 47 8.620 8.519 0.101 1
1 436 . 1 1 1 A 49 49 ALA HA H 47 3.970 4.503 -0.533 1
1 440 . 1 1 1 A 49 49 ALA C C 47 180.500 174.992 5.508 1
1 441 . 1 1 1 A 49 49 ALA CA C 47 55.400 60.156 -4.756 1
1 442 . 1 1 1 A 49 49 ALA CB C 47 18.200 63.653 -45.453 1
1 443 . 1 1 1 A 49 49 ALA N N 47 118.800 115.215 3.585 1
1 444 . 1 1 1 A 50 50 ALA H H 48 8.130 9.053 -0.923 1
1 445 . 1 1 1 A 50 50 ALA HA H 48 4.260 3.362 0.898 1
1 449 . 1 1 1 A 50 50 ALA C C 48 182.500 178.053 4.447 1
1 450 . 1 1 1 A 50 50 ALA CA C 48 54.900 59.774 -4.874 1
1 451 . 1 1 1 A 50 50 ALA CB C 48 19.100 29.553 -10.453 1
1 452 . 1 1 1 A 50 50 ALA N N 48 122.100 126.069 -3.969 1
1 453 . 1 1 1 A 51 51 CYS H H 49 8.530 8.143 0.387 1
1 454 . 1 1 1 A 51 51 CYS HA H 49 4.070 4.065 0.005 1
1 457 . 1 1 1 A 51 51 CYS C C 49 176.800 180.028 -3.228 1
1 458 . 1 1 1 A 51 51 CYS CA C 49 65.000 54.846 10.154 1
1 459 . 1 1 1 A 51 51 CYS CB C 49 27.100 18.227 8.873 1
1 460 . 1 1 1 A 51 51 CYS N N 49 119.000 120.432 -1.432 1
1 461 . 1 1 1 A 52 52 LEU H H 50 8.660 7.736 0.924 1
1 462 . 1 1 1 A 52 52 LEU HA H 50 3.990 4.207 -0.217 1
1 472 . 1 1 1 A 52 52 LEU C C 50 179.800 179.456 0.344 1
1 473 . 1 1 1 A 52 52 LEU CA C 50 58.200 55.024 3.176 1
1 474 . 1 1 1 A 52 52 LEU CB C 50 41.000 18.403 22.597 1
1 478 . 1 1 1 A 52 52 LEU N N 50 121.100 119.628 1.472 1
1 479 . 1 1 1 A 53 53 ASP H H 51 8.020 8.186 -0.166 1
1 480 . 1 1 1 A 53 53 ASP HA H 51 4.370 4.226 0.144 1
1 483 . 1 1 1 A 53 53 ASP C C 51 177.500 177.229 0.271 1
1 484 . 1 1 1 A 53 53 ASP CA C 51 57.500 64.097 -6.597 1
1 485 . 1 1 1 A 53 53 ASP CB C 51 41.500 27.451 14.049 1
1 486 . 1 1 1 A 53 53 ASP N N 51 120.300 116.318 3.982 1
1 487 . 1 1 1 A 54 54 TYR H H 52 7.760 8.393 -0.633 1
1 488 . 1 1 1 A 54 54 TYR HA H 52 3.770 3.891 -0.121 1
1 495 . 1 1 1 A 54 54 TYR C C 52 179.000 178.154 0.846 1
1 496 . 1 1 1 A 54 54 TYR CA C 52 62.300 58.075 4.225 1
1 497 . 1 1 1 A 54 54 TYR CB C 52 37.700 41.410 -3.710 1
1 502 . 1 1 1 A 54 54 TYR N N 52 119.700 120.363 -0.663 1
1 503 . 1 1 1 A 55 55 VAL H H 53 8.250 8.368 -0.118 1
1 504 . 1 1 1 A 55 55 VAL HA H 53 3.580 4.271 -0.691 1
1 512 . 1 1 1 A 55 55 VAL C C 53 177.700 177.784 -0.084 1
1 513 . 1 1 1 A 55 55 VAL CA C 53 66.800 57.367 9.433 1
1 514 . 1 1 1 A 55 55 VAL CB C 53 31.900 41.843 -9.943 1
1 517 . 1 1 1 A 55 55 VAL N N 53 120.200 119.069 1.131 1
1 518 . 1 1 1 A 56 56 GLU H H 54 8.170 8.417 -0.247 1
1 519 . 1 1 1 A 56 56 GLU HA H 54 4.010 4.115 -0.105 1
1 524 . 1 1 1 A 56 56 GLU C C 54 178.700 177.673 1.027 1
1 525 . 1 1 1 A 56 56 GLU CA C 54 59.200 61.339 -2.139 1
1 526 . 1 1 1 A 56 56 GLU CB C 54 29.600 38.603 -9.003 1
1 528 . 1 1 1 A 56 56 GLU N N 54 119.600 120.882 -1.282 1
1 529 . 1 1 1 A 57 57 LYS H H 55 7.800 8.246 -0.446 1
1 530 . 1 1 1 A 57 57 LYS HA H 55 4.040 3.567 0.473 1
1 539 . 1 1 1 A 57 57 LYS C C 55 177.900 177.966 -0.066 1
1 540 . 1 1 1 A 57 57 LYS CA C 55 57.900 66.641 -8.741 1
1 541 . 1 1 1 A 57 57 LYS CB C 55 33.300 31.556 1.744 1
1 545 . 1 1 1 A 57 57 LYS N N 55 115.700 119.133 -3.433 1
1 546 . 1 1 1 A 58 58 ASN H H 56 7.570 8.262 -0.692 1
1 547 . 1 1 1 A 58 58 ASN HA H 56 4.490 3.957 0.533 1
1 552 . 1 1 1 A 58 58 ASN C C 56 174.300 179.163 -4.863 1
1 553 . 1 1 1 A 58 58 ASN CA C 56 54.700 59.412 -4.712 1
1 554 . 1 1 1 A 58 58 ASN CB C 56 40.100 28.997 11.103 1
1 555 . 1 1 1 A 58 58 ASN N N 56 115.000 121.467 -6.467 1
1 557 . 1 1 1 A 59 59 TRP H H 57 8.120 8.252 -0.132 1
1 562 . 1 1 1 A 59 59 TRP CA C 57 57.800 59.453 -1.653 1
1 563 . 1 1 1 A 59 59 TRP CB C 57 29.800 32.301 -2.501 1
1 564 . 1 1 1 A 59 59 TRP N N 57 121.400 120.051 1.349 1
1 566 . 1 1 1 A 64 64 PRO HA H 62 4.410 4.455 -0.045 1
1 571 . 1 1 1 A 64 64 PRO C C 62 176.200 175.675 0.525 1
1 572 . 1 1 1 A 64 64 PRO CA C 62 63.300 54.597 8.703 1
1 573 . 1 1 1 A 64 64 PRO CB C 62 32.100 40.041 -7.941 1
1 576 . 1 1 1 A 65 65 LYS H H 63 8.030 8.172 -0.142 1
1 577 . 1 1 1 A 65 65 LYS HA H 63 4.130 4.787 -0.657 1
1 580 . 1 1 1 A 65 65 LYS CA C 63 57.700 53.378 4.322 1
1 581 . 1 1 1 A 65 65 LYS CB C 63 33.600 31.168 2.432 1
1 3 . 2 1 1 A 4 4 MET H H 2 8.430 8.742 -0.312 1
1 7 . 2 1 1 A 4 4 MET C C 2 176.000 173.481 2.519 1
1 8 . 2 1 1 A 4 4 MET CA C 2 55.400 58.267 -2.867 1
1 9 . 2 1 1 A 4 4 MET CB C 2 32.900 63.540 -30.640 1
1 11 . 2 1 1 A 4 4 MET N N 2 120.500 120.062 0.438 1
1 12 . 2 1 1 A 5 5 SER H H 3 8.400 7.677 0.723 1
1 13 . 2 1 1 A 5 5 SER HA H 3 4.500 4.820 -0.320 1
1 16 . 2 1 1 A 5 5 SER C C 3 174.700 174.653 0.047 1
1 17 . 2 1 1 A 5 5 SER CA C 3 58.400 54.528 3.872 1
1 18 . 2 1 1 A 5 5 SER CB C 3 63.800 30.567 33.233 1
1 19 . 2 1 1 A 5 5 SER N N 3 117.300 117.273 0.027 1
1 20 . 2 1 1 A 6 6 THR H H 4 8.210 8.637 -0.427 1
1 21 . 2 1 1 A 6 6 THR HA H 4 4.330 4.433 -0.103 1
1 26 . 2 1 1 A 6 6 THR C C 4 174.000 175.446 -1.446 1
1 27 . 2 1 1 A 6 6 THR CA C 4 61.900 54.966 6.934 1
1 28 . 2 1 1 A 6 6 THR CB C 4 69.900 31.554 38.346 1
1 30 . 2 1 1 A 6 6 THR N N 4 115.400 122.574 -7.174 1
1 31 . 2 1 1 A 7 7 ASN H H 5 8.440 7.732 0.708 1
1 32 . 2 1 1 A 7 7 ASN HA H 5 4.950 5.020 -0.070 1
1 37 . 2 1 1 A 7 7 ASN CA C 5 50.900 57.727 -6.827 1
1 38 . 2 1 1 A 7 7 ASN CB C 5 39.000 65.703 -26.703 1
1 39 . 2 1 1 A 7 7 ASN N N 5 121.600 115.839 5.761 1
1 41 . 2 1 1 A 8 8 PRO HA H 6 4.310 4.385 -0.075 1
1 48 . 2 1 1 A 8 8 PRO C C 6 177.100 174.602 2.498 1
1 49 . 2 1 1 A 8 8 PRO CA C 6 64.000 61.617 2.383 1
1 50 . 2 1 1 A 8 8 PRO CB C 6 32.100 68.834 -36.734 1
1 53 . 2 1 1 A 9 9 PHE H H 7 8.020 8.661 -0.641 1
1 54 . 2 1 1 A 9 9 PHE HA H 7 4.480 4.376 0.104 1
1 59 . 2 1 1 A 9 9 PHE CA C 7 58.300 51.216 7.084 1
1 60 . 2 1 1 A 9 9 PHE CB C 7 38.800 38.293 0.507 1
1 63 . 2 1 1 A 9 9 PHE N N 7 117.200 124.862 -7.662 1
1 64 . 2 1 1 A 12 12 ASP C C 10 176.700 175.836 0.864 1
1 65 . 2 1 1 A 12 12 ASP CA C 10 54.800 54.235 0.565 1
1 66 . 2 1 1 A 12 12 ASP CB C 10 41.000 42.038 -1.038 1
1 67 . 2 1 1 A 13 13 ASN H H 11 8.490 8.679 -0.189 1
1 70 . 2 1 1 A 13 13 ASN C C 11 175.700 174.669 1.031 1
1 71 . 2 1 1 A 13 13 ASN CA C 11 53.400 53.628 -0.228 1
1 72 . 2 1 1 A 13 13 ASN CB C 11 39.200 39.655 -0.455 1
1 73 . 2 1 1 A 13 13 ASN N N 11 118.500 121.748 -3.248 1
1 75 . 2 1 1 A 14 14 GLY H H 12 8.200 8.823 -0.623 1
1 78 . 2 1 1 A 14 14 GLY C C 12 172.200 175.674 -3.474 1
1 79 . 2 1 1 A 14 14 GLY CA C 12 45.200 54.041 -8.841 1
1 80 . 2 1 1 A 14 14 GLY N N 12 108.500 125.875 -17.375 1
1 81 . 2 1 1 A 15 15 ALA H H 13 7.670 8.456 -0.786 1
1 82 . 2 1 1 A 15 15 ALA HA H 13 4.600 5.138 -0.538 1
1 86 . 2 1 1 A 15 15 ALA C C 13 176.500 175.619 0.881 1
1 87 . 2 1 1 A 15 15 ALA CA C 13 51.400 51.146 0.254 1
1 88 . 2 1 1 A 15 15 ALA CB C 13 21.000 41.073 -20.073 1
1 89 . 2 1 1 A 15 15 ALA N N 13 122.600 122.308 0.292 1
1 90 . 2 1 1 A 16 16 PHE H H 14 9.350 8.430 0.920 1
1 98 . 2 1 1 A 16 16 PHE C C 14 174.300 173.359 0.941 1
1 99 . 2 1 1 A 16 16 PHE CA C 14 57.600 44.758 12.842 1
1 105 . 2 1 1 A 16 16 PHE N N 14 120.000 108.462 11.538 1
1 106 . 2 1 1 A 17 17 PHE H H 15 9.550 7.998 1.552 1
1 107 . 2 1 1 A 17 17 PHE HA H 15 5.600 4.384 1.216 1
1 112 . 2 1 1 A 17 17 PHE C C 15 177.700 176.625 1.075 1
1 113 . 2 1 1 A 17 17 PHE CA C 15 55.900 50.881 5.019 1
1 114 . 2 1 1 A 17 17 PHE CB C 15 44.100 21.172 22.928 1
1 117 . 2 1 1 A 17 17 PHE N N 15 115.700 123.613 -7.913 1
1 118 . 2 1 1 A 18 18 VAL H H 16 8.670 8.217 0.453 1
1 119 . 2 1 1 A 18 18 VAL HA H 16 4.220 5.591 -1.371 1
1 127 . 2 1 1 A 18 18 VAL C C 16 175.200 173.053 2.147 1
1 128 . 2 1 1 A 18 18 VAL CA C 16 62.700 55.785 6.915 1
1 129 . 2 1 1 A 18 18 VAL CB C 16 32.700 42.684 -9.984 1
1 132 . 2 1 1 A 18 18 VAL N N 16 117.200 114.987 2.213 1
1 133 . 2 1 1 A 19 19 LEU H H 17 9.500 9.659 -0.159 1
1 134 . 2 1 1 A 19 19 LEU HA H 17 5.730 5.337 0.393 1
1 144 . 2 1 1 A 19 19 LEU C C 17 176.700 175.526 1.174 1
1 145 . 2 1 1 A 19 19 LEU CA C 17 52.100 56.864 -4.764 1
1 146 . 2 1 1 A 19 19 LEU CB C 17 46.800 42.009 4.791 1
1 150 . 2 1 1 A 19 19 LEU N N 17 127.100 119.024 8.076 1
1 151 . 2 1 1 A 20 20 VAL H H 18 9.170 8.681 0.489 1
1 152 . 2 1 1 A 20 20 VAL HA H 18 5.710 4.493 1.217 1
1 160 . 2 1 1 A 20 20 VAL C C 18 174.800 175.324 -0.524 1
1 161 . 2 1 1 A 20 20 VAL CA C 18 59.300 62.749 -3.449 1
1 162 . 2 1 1 A 20 20 VAL CB C 18 36.700 30.927 5.773 1
1 165 . 2 1 1 A 20 20 VAL N N 18 115.900 121.970 -6.070 1
1 166 . 2 1 1 A 21 21 ASN H H 19 7.320 9.178 -1.858 1
1 167 . 2 1 1 A 21 21 ASN HA H 19 4.720 5.589 -0.869 1
1 170 . 2 1 1 A 21 21 ASN C C 19 177.700 174.686 3.014 1
1 171 . 2 1 1 A 21 21 ASN CA C 19 49.700 53.548 -3.848 1
1 172 . 2 1 1 A 21 21 ASN CB C 19 37.500 46.480 -8.980 1
1 173 . 2 1 1 A 21 21 ASN N N 19 122.600 129.691 -7.091 1
1 174 . 2 1 1 A 22 22 ASP H H 20 8.240 8.975 -0.735 1
1 175 . 2 1 1 A 22 22 ASP HA H 20 4.400 4.848 -0.448 1
1 178 . 2 1 1 A 22 22 ASP C C 20 176.600 173.145 3.455 1
1 179 . 2 1 1 A 22 22 ASP CA C 20 56.400 60.094 -3.694 1
1 180 . 2 1 1 A 22 22 ASP CB C 20 40.100 35.550 4.550 1
1 181 . 2 1 1 A 22 22 ASP N N 20 117.500 121.642 -4.142 1
1 182 . 2 1 1 A 23 23 GLU H H 21 7.220 8.479 -1.259 1
1 183 . 2 1 1 A 23 23 GLU HA H 21 4.380 5.378 -0.998 1
1 188 . 2 1 1 A 23 23 GLU C C 21 175.500 175.903 -0.403 1
1 189 . 2 1 1 A 23 23 GLU CA C 21 55.600 53.084 2.516 1
1 190 . 2 1 1 A 23 23 GLU CB C 21 29.500 40.597 -11.097 1
1 192 . 2 1 1 A 23 23 GLU N N 21 118.100 126.301 -8.201 1
1 193 . 2 1 1 A 24 24 ASP H H 22 8.030 9.043 -1.013 1
1 194 . 2 1 1 A 24 24 ASP HA H 22 4.280 4.267 0.013 1
1 197 . 2 1 1 A 24 24 ASP CA C 22 56.200 57.702 -1.502 1
1 198 . 2 1 1 A 24 24 ASP CB C 22 40.000 40.862 -0.862 1
1 199 . 2 1 1 A 24 24 ASP N N 22 115.700 126.528 -10.828 1
1 200 . 2 1 1 A 25 25 GLN H H 23 7.710 7.835 -0.125 1
1 201 . 2 1 1 A 25 25 GLN HA H 23 4.270 4.388 -0.118 1
1 206 . 2 1 1 A 25 25 GLN C C 23 175.300 174.914 0.386 1
1 207 . 2 1 1 A 25 25 GLN CA C 23 55.200 56.303 -1.103 1
1 208 . 2 1 1 A 25 25 GLN CB C 23 29.400 30.240 -0.840 1
1 209 . 2 1 1 A 25 25 GLN N N 23 116.800 115.743 1.057 1
1 210 . 2 1 1 A 26 26 HIS H H 24 8.870 7.881 0.989 1
1 211 . 2 1 1 A 26 26 HIS HA H 24 6.030 4.875 1.155 1
1 214 . 2 1 1 A 26 26 HIS CA C 24 54.400 52.391 2.009 1
1 215 . 2 1 1 A 26 26 HIS CB C 24 32.700 43.250 -10.550 1
1 216 . 2 1 1 A 26 26 HIS N N 24 113.400 121.493 -8.093 1
1 219 . 2 1 1 A 27 27 SER CB C 25 66.800 29.589 37.211 1
1 220 . 2 1 1 A 28 28 LEU HA H 26 5.430 4.937 0.493 1
1 230 . 2 1 1 A 28 28 LEU CA C 26 56.100 54.891 1.209 1
1 231 . 2 1 1 A 28 28 LEU CB C 26 43.600 31.677 11.923 1
1 235 . 2 1 1 A 29 29 TRP HA H 27 5.320 5.075 0.245 1
1 242 . 2 1 1 A 29 29 TRP CA C 27 54.100 57.787 -3.687 1
1 243 . 2 1 1 A 29 29 TRP CB C 27 36.000 64.689 -28.689 1
1 248 . 2 1 1 A 30 30 PRO C C 28 177.500 175.250 2.250 1
1 249 . 2 1 1 A 30 30 PRO CA C 28 62.400 53.834 8.566 1
1 250 . 2 1 1 A 30 30 PRO CB C 28 31.700 41.919 -10.219 1
1 253 . 2 1 1 A 31 31 VAL H H 29 7.000 8.801 -1.801 1
1 254 . 2 1 1 A 31 31 VAL HA H 29 3.710 5.397 -1.687 1
1 262 . 2 1 1 A 31 31 VAL CA C 29 63.600 55.192 8.408 1
1 263 . 2 1 1 A 31 31 VAL CB C 29 31.200 31.603 -0.403 1
1 266 . 2 1 1 A 31 31 VAL N N 29 114.100 128.058 -13.958 1
1 270 . 2 1 1 A 33 33 ALA C C 31 177.500 175.825 1.675 1
1 271 . 2 1 1 A 33 33 ALA CA C 31 50.900 62.220 -11.320 1
1 272 . 2 1 1 A 33 33 ALA CB C 31 20.200 29.934 -9.734 1
1 273 . 2 1 1 A 34 34 ASP H H 32 8.830 8.158 0.672 1
1 274 . 2 1 1 A 34 34 ASP HA H 32 4.500 4.683 -0.183 1
1 277 . 2 1 1 A 34 34 ASP C C 32 176.900 174.581 2.319 1
1 278 . 2 1 1 A 34 34 ASP CA C 32 55.200 58.820 -3.620 1
1 279 . 2 1 1 A 34 34 ASP CB C 32 40.400 41.684 -1.284 1
1 280 . 2 1 1 A 34 34 ASP N N 32 124.600 127.917 -3.317 1
1 281 . 2 1 1 A 35 35 ILE H H 33 8.590 7.119 1.471 1
1 282 . 2 1 1 A 35 35 ILE HA H 33 3.610 4.425 -0.815 1
1 292 . 2 1 1 A 35 35 ILE C C 33 176.100 177.116 -1.016 1
1 293 . 2 1 1 A 35 35 ILE CA C 33 58.600 50.686 7.914 1
1 294 . 2 1 1 A 35 35 ILE CB C 33 37.600 21.566 16.034 1
1 298 . 2 1 1 A 35 35 ILE N N 33 125.200 120.921 4.279 1
1 299 . 2 1 1 A 36 36 PRO HA H 34 4.290 4.678 -0.388 1
1 306 . 2 1 1 A 36 36 PRO C C 34 179.400 176.620 2.780 1
1 307 . 2 1 1 A 36 36 PRO CA C 34 62.600 54.951 7.649 1
1 308 . 2 1 1 A 36 36 PRO CB C 34 31.600 41.597 -9.997 1
1 311 . 2 1 1 A 37 37 ALA H H 35 8.300 8.441 -0.141 1
1 312 . 2 1 1 A 37 37 ALA HA H 35 4.190 4.350 -0.160 1
1 316 . 2 1 1 A 37 37 ALA CA C 35 53.600 58.512 -4.912 1
1 317 . 2 1 1 A 37 37 ALA CB C 35 18.400 37.731 -19.331 1
1 318 . 2 1 1 A 37 37 ALA N N 35 123.600 123.392 0.208 1
1 322 . 2 1 1 A 38 38 GLY C C 36 174.000 175.778 -1.778 1
1 323 . 2 1 1 A 38 38 GLY CA C 36 45.000 62.151 -17.151 1
1 324 . 2 1 1 A 38 38 GLY N N 36 110.200 142.715 -32.515 1
1 325 . 2 1 1 A 39 39 TRP H H 37 7.700 8.353 -0.653 1
1 326 . 2 1 1 A 39 39 TRP HA H 37 4.900 5.006 -0.106 1
1 331 . 2 1 1 A 39 39 TRP C C 37 175.000 177.598 -2.598 1
1 332 . 2 1 1 A 39 39 TRP CA C 37 56.000 51.178 4.822 1
1 333 . 2 1 1 A 39 39 TRP CB C 37 31.800 21.276 10.524 1
1 335 . 2 1 1 A 39 39 TRP N N 37 120.800 121.598 -0.798 1
1 337 . 2 1 1 A 40 40 ARG H H 38 9.050 8.742 0.308 1
1 344 . 2 1 1 A 40 40 ARG C C 38 174.900 173.905 0.995 1
1 345 . 2 1 1 A 40 40 ARG CA C 38 54.000 46.385 7.615 1
1 349 . 2 1 1 A 40 40 ARG N N 38 118.200 108.747 9.453 1
1 350 . 2 1 1 A 41 41 VAL H H 39 8.660 7.450 1.210 1
1 351 . 2 1 1 A 41 41 VAL HA H 39 4.040 5.200 -1.160 1
1 359 . 2 1 1 A 41 41 VAL C C 39 178.000 174.492 3.508 1
1 360 . 2 1 1 A 41 41 VAL CA C 39 63.800 54.620 9.180 1
1 361 . 2 1 1 A 41 41 VAL CB C 39 32.400 32.807 -0.407 1
1 364 . 2 1 1 A 41 41 VAL N N 39 122.700 118.614 4.086 1
1 365 . 2 1 1 A 42 42 VAL H H 40 9.090 8.978 0.112 1
1 366 . 2 1 1 A 42 42 VAL HA H 40 4.740 4.864 -0.124 1
1 374 . 2 1 1 A 42 42 VAL C C 40 174.800 174.570 0.230 1
1 375 . 2 1 1 A 42 42 VAL CA C 40 61.000 54.782 6.218 1
1 376 . 2 1 1 A 42 42 VAL CB C 40 34.100 34.197 -0.097 1
1 379 . 2 1 1 A 42 42 VAL N N 40 119.800 120.514 -0.714 1
1 380 . 2 1 1 A 43 43 HIS H H 41 7.700 9.183 -1.483 1
1 381 . 2 1 1 A 43 43 HIS HA H 41 4.530 4.384 0.146 1
1 384 . 2 1 1 A 43 43 HIS C C 41 173.400 175.417 -2.017 1
1 385 . 2 1 1 A 43 43 HIS CA C 41 57.500 63.383 -5.883 1
1 386 . 2 1 1 A 43 43 HIS CB C 41 32.800 31.831 0.969 1
1 387 . 2 1 1 A 43 43 HIS N N 41 119.700 127.475 -7.775 1
1 388 . 2 1 1 A 44 44 GLY H H 42 7.590 9.418 -1.828 1
1 391 . 2 1 1 A 44 44 GLY C C 42 174.600 176.119 -1.519 1
1 392 . 2 1 1 A 44 44 GLY CA C 42 42.400 64.233 -21.833 1
1 393 . 2 1 1 A 44 44 GLY N N 42 112.000 128.686 -16.686 1
1 394 . 2 1 1 A 45 45 GLU H H 43 8.700 7.197 1.503 1
1 395 . 2 1 1 A 45 45 GLU HA H 43 4.120 4.758 -0.638 1
1 400 . 2 1 1 A 45 45 GLU C C 43 175.200 175.305 -0.105 1
1 401 . 2 1 1 A 45 45 GLU CA C 43 56.900 55.038 1.862 1
1 402 . 2 1 1 A 45 45 GLU CB C 43 30.900 32.738 -1.838 1
1 404 . 2 1 1 A 45 45 GLU N N 43 121.700 116.022 5.678 1
1 405 . 2 1 1 A 46 46 ALA H H 44 9.400 8.357 1.043 1
1 409 . 2 1 1 A 46 46 ALA C C 44 175.100 172.471 2.629 1
1 410 . 2 1 1 A 46 46 ALA CA C 44 51.100 43.726 7.374 1
1 412 . 2 1 1 A 46 46 ALA N N 44 127.000 107.595 19.405 1
1 413 . 2 1 1 A 47 47 SER H H 45 8.710 8.106 0.604 1
1 414 . 2 1 1 A 47 47 SER HA H 45 4.730 5.132 -0.402 1
1 417 . 2 1 1 A 47 47 SER C C 45 175.000 176.107 -1.107 1
1 418 . 2 1 1 A 47 47 SER CA C 45 57.900 55.479 2.421 1
1 419 . 2 1 1 A 47 47 SER CB C 45 64.900 29.868 35.032 1
1 420 . 2 1 1 A 47 47 SER N N 45 115.300 119.854 -4.554 1
1 421 . 2 1 1 A 48 48 ARG H H 46 9.520 8.295 1.225 1
1 422 . 2 1 1 A 48 48 ARG HA H 46 3.390 5.019 -1.629 1
1 429 . 2 1 1 A 48 48 ARG C C 46 178.300 177.144 1.156 1
1 430 . 2 1 1 A 48 48 ARG CA C 46 61.000 50.061 10.939 1
1 431 . 2 1 1 A 48 48 ARG CB C 46 30.100 23.029 7.071 1
1 434 . 2 1 1 A 48 48 ARG N N 46 123.400 126.864 -3.464 1
1 435 . 2 1 1 A 49 49 ALA H H 47 8.620 8.478 0.142 1
1 436 . 2 1 1 A 49 49 ALA HA H 47 3.970 4.562 -0.592 1
1 440 . 2 1 1 A 49 49 ALA C C 47 180.500 174.979 5.521 1
1 441 . 2 1 1 A 49 49 ALA CA C 47 55.400 60.255 -4.855 1
1 442 . 2 1 1 A 49 49 ALA CB C 47 18.200 63.798 -45.598 1
1 443 . 2 1 1 A 49 49 ALA N N 47 118.800 115.282 3.518 1
1 444 . 2 1 1 A 50 50 ALA H H 48 8.130 8.834 -0.704 1
1 445 . 2 1 1 A 50 50 ALA HA H 48 4.260 3.383 0.877 1
1 449 . 2 1 1 A 50 50 ALA C C 48 182.500 177.968 4.532 1
1 450 . 2 1 1 A 50 50 ALA CA C 48 54.900 59.760 -4.860 1
1 451 . 2 1 1 A 50 50 ALA CB C 48 19.100 29.811 -10.711 1
1 452 . 2 1 1 A 50 50 ALA N N 48 122.100 125.929 -3.829 1
1 453 . 2 1 1 A 51 51 CYS H H 49 8.530 7.954 0.576 1
1 454 . 2 1 1 A 51 51 CYS HA H 49 4.070 4.040 0.030 1
1 457 . 2 1 1 A 51 51 CYS C C 49 176.800 180.236 -3.436 1
1 458 . 2 1 1 A 51 51 CYS CA C 49 65.000 54.873 10.127 1
1 459 . 2 1 1 A 51 51 CYS CB C 49 27.100 18.177 8.923 1
1 460 . 2 1 1 A 51 51 CYS N N 49 119.000 120.452 -1.452 1
1 461 . 2 1 1 A 52 52 LEU H H 50 8.660 7.868 0.792 1
1 462 . 2 1 1 A 52 52 LEU HA H 50 3.990 4.147 -0.157 1
1 472 . 2 1 1 A 52 52 LEU C C 50 179.800 179.593 0.207 1
1 473 . 2 1 1 A 52 52 LEU CA C 50 58.200 54.974 3.226 1
1 474 . 2 1 1 A 52 52 LEU CB C 50 41.000 18.311 22.689 1
1 478 . 2 1 1 A 52 52 LEU N N 50 121.100 119.830 1.270 1
1 479 . 2 1 1 A 53 53 ASP H H 51 8.020 8.339 -0.319 1
1 480 . 2 1 1 A 53 53 ASP HA H 51 4.370 4.119 0.251 1
1 483 . 2 1 1 A 53 53 ASP C C 51 177.500 177.100 0.400 1
1 484 . 2 1 1 A 53 53 ASP CA C 51 57.500 63.731 -6.231 1
1 485 . 2 1 1 A 53 53 ASP CB C 51 41.500 27.233 14.267 1
1 486 . 2 1 1 A 53 53 ASP N N 51 120.300 116.264 4.036 1
1 487 . 2 1 1 A 54 54 TYR H H 52 7.760 8.267 -0.507 1
1 488 . 2 1 1 A 54 54 TYR HA H 52 3.770 3.752 0.018 1
1 495 . 2 1 1 A 54 54 TYR C C 52 179.000 178.529 0.471 1
1 496 . 2 1 1 A 54 54 TYR CA C 52 62.300 58.107 4.193 1
1 497 . 2 1 1 A 54 54 TYR CB C 52 37.700 41.505 -3.805 1
1 502 . 2 1 1 A 54 54 TYR N N 52 119.700 120.379 -0.679 1
1 503 . 2 1 1 A 55 55 VAL H H 53 8.250 8.461 -0.211 1
1 504 . 2 1 1 A 55 55 VAL HA H 53 3.580 4.260 -0.680 1
1 512 . 2 1 1 A 55 55 VAL C C 53 177.700 177.699 0.001 1
1 513 . 2 1 1 A 55 55 VAL CA C 53 66.800 57.349 9.451 1
1 514 . 2 1 1 A 55 55 VAL CB C 53 31.900 41.925 -10.025 1
1 517 . 2 1 1 A 55 55 VAL N N 53 120.200 118.775 1.425 1
1 518 . 2 1 1 A 56 56 GLU H H 54 8.170 8.488 -0.318 1
1 519 . 2 1 1 A 56 56 GLU HA H 54 4.010 4.156 -0.146 1
1 524 . 2 1 1 A 56 56 GLU C C 54 178.700 177.628 1.072 1
1 525 . 2 1 1 A 56 56 GLU CA C 54 59.200 61.330 -2.130 1
1 526 . 2 1 1 A 56 56 GLU CB C 54 29.600 38.709 -9.109 1
1 528 . 2 1 1 A 56 56 GLU N N 54 119.600 120.789 -1.189 1
1 529 . 2 1 1 A 57 57 LYS H H 55 7.800 8.223 -0.423 1
1 530 . 2 1 1 A 57 57 LYS HA H 55 4.040 3.621 0.419 1
1 539 . 2 1 1 A 57 57 LYS C C 55 177.900 178.199 -0.299 1
1 540 . 2 1 1 A 57 57 LYS CA C 55 57.900 66.196 -8.296 1
1 541 . 2 1 1 A 57 57 LYS CB C 55 33.300 31.586 1.714 1
1 545 . 2 1 1 A 57 57 LYS N N 55 115.700 119.243 -3.543 1
1 546 . 2 1 1 A 58 58 ASN H H 56 7.570 8.216 -0.646 1
1 547 . 2 1 1 A 58 58 ASN HA H 56 4.490 4.137 0.353 1
1 552 . 2 1 1 A 58 58 ASN C C 56 174.300 179.576 -5.276 1
1 553 . 2 1 1 A 58 58 ASN CA C 56 54.700 59.261 -4.561 1
1 554 . 2 1 1 A 58 58 ASN CB C 56 40.100 29.177 10.923 1
1 555 . 2 1 1 A 58 58 ASN N N 56 115.000 121.920 -6.920 1
1 557 . 2 1 1 A 59 59 TRP H H 57 8.120 7.897 0.223 1
1 562 . 2 1 1 A 59 59 TRP CA C 57 57.800 58.779 -0.979 1
1 563 . 2 1 1 A 59 59 TRP CB C 57 29.800 31.909 -2.109 1
1 564 . 2 1 1 A 59 59 TRP N N 57 121.400 119.794 1.606 1
1 566 . 2 1 1 A 64 64 PRO HA H 62 4.410 4.534 -0.124 1
1 571 . 2 1 1 A 64 64 PRO C C 62 176.200 176.085 0.115 1
1 572 . 2 1 1 A 64 64 PRO CA C 62 63.300 54.357 8.943 1
1 573 . 2 1 1 A 64 64 PRO CB C 62 32.100 42.725 -10.625 1
1 576 . 2 1 1 A 65 65 LYS H H 63 8.030 8.125 -0.095 1
1 577 . 2 1 1 A 65 65 LYS HA H 63 4.130 4.871 -0.741 1
1 580 . 2 1 1 A 65 65 LYS CA C 63 57.700 53.240 4.460 1
1 581 . 2 1 1 A 65 65 LYS CB C 63 33.600 31.526 2.074 1
1 3 . 3 1 1 A 4 4 MET H H 2 8.430 8.513 -0.083 1
1 7 . 3 1 1 A 4 4 MET C C 2 176.000 174.382 1.618 1
1 8 . 3 1 1 A 4 4 MET CA C 2 55.400 59.001 -3.601 1
1 9 . 3 1 1 A 4 4 MET CB C 2 32.900 63.859 -30.959 1
1 11 . 3 1 1 A 4 4 MET N N 2 120.500 115.119 5.381 1
1 12 . 3 1 1 A 5 5 SER H H 3 8.400 8.338 0.062 1
1 13 . 3 1 1 A 5 5 SER HA H 3 4.500 5.338 -0.838 1
1 16 . 3 1 1 A 5 5 SER C C 3 174.700 173.455 1.245 1
1 17 . 3 1 1 A 5 5 SER CA C 3 58.400 53.924 4.476 1
1 18 . 3 1 1 A 5 5 SER CB C 3 63.800 31.966 31.834 1
1 19 . 3 1 1 A 5 5 SER N N 3 117.300 119.520 -2.220 1
1 20 . 3 1 1 A 6 6 THR H H 4 8.210 8.600 -0.390 1
1 21 . 3 1 1 A 6 6 THR HA H 4 4.330 4.360 -0.030 1
1 26 . 3 1 1 A 6 6 THR C C 4 174.000 176.326 -2.326 1
1 27 . 3 1 1 A 6 6 THR CA C 4 61.900 56.756 5.144 1
1 28 . 3 1 1 A 6 6 THR CB C 4 69.900 33.912 35.988 1
1 30 . 3 1 1 A 6 6 THR N N 4 115.400 119.230 -3.830 1
1 31 . 3 1 1 A 7 7 ASN H H 5 8.440 7.672 0.768 1
1 32 . 3 1 1 A 7 7 ASN HA H 5 4.950 4.629 0.321 1
1 37 . 3 1 1 A 7 7 ASN CA C 5 50.900 58.131 -7.231 1
1 38 . 3 1 1 A 7 7 ASN CB C 5 39.000 65.019 -26.019 1
1 39 . 3 1 1 A 7 7 ASN N N 5 121.600 111.731 9.869 1
1 41 . 3 1 1 A 8 8 PRO HA H 6 4.310 4.771 -0.461 1
1 48 . 3 1 1 A 8 8 PRO C C 6 177.100 171.669 5.431 1
1 49 . 3 1 1 A 8 8 PRO CA C 6 64.000 60.605 3.395 1
1 50 . 3 1 1 A 8 8 PRO CB C 6 32.100 71.626 -39.526 1
1 53 . 3 1 1 A 9 9 PHE H H 7 8.020 8.736 -0.716 1
1 54 . 3 1 1 A 9 9 PHE HA H 7 4.480 5.120 -0.640 1
1 59 . 3 1 1 A 9 9 PHE CA C 7 58.300 49.232 9.068 1
1 60 . 3 1 1 A 9 9 PHE CB C 7 38.800 40.377 -1.577 1
1 63 . 3 1 1 A 9 9 PHE N N 7 117.200 126.468 -9.268 1
1 64 . 3 1 1 A 12 12 ASP C C 10 176.700 176.027 0.673 1
1 65 . 3 1 1 A 12 12 ASP CA C 10 54.800 53.551 1.249 1
1 66 . 3 1 1 A 12 12 ASP CB C 10 41.000 42.691 -1.691 1
1 67 . 3 1 1 A 13 13 ASN H H 11 8.490 8.951 -0.461 1
1 70 . 3 1 1 A 13 13 ASN C C 11 175.700 176.615 -0.915 1
1 71 . 3 1 1 A 13 13 ASN CA C 11 53.400 55.600 -2.200 1
1 72 . 3 1 1 A 13 13 ASN CB C 11 39.200 41.817 -2.617 1
1 73 . 3 1 1 A 13 13 ASN N N 11 118.500 125.006 -6.506 1
1 75 . 3 1 1 A 14 14 GLY H H 12 8.200 7.953 0.247 1
1 78 . 3 1 1 A 14 14 GLY C C 12 172.200 177.843 -5.643 1
1 79 . 3 1 1 A 14 14 GLY CA C 12 45.200 56.335 -11.135 1
1 80 . 3 1 1 A 14 14 GLY N N 12 108.500 120.079 -11.579 1
1 81 . 3 1 1 A 15 15 ALA H H 13 7.670 8.183 -0.513 1
1 82 . 3 1 1 A 15 15 ALA HA H 13 4.600 4.579 0.021 1
1 86 . 3 1 1 A 15 15 ALA C C 13 176.500 175.675 0.825 1
1 87 . 3 1 1 A 15 15 ALA CA C 13 51.400 53.447 -2.047 1
1 88 . 3 1 1 A 15 15 ALA CB C 13 21.000 38.883 -17.883 1
1 89 . 3 1 1 A 15 15 ALA N N 13 122.600 114.759 7.841 1
1 90 . 3 1 1 A 16 16 PHE H H 14 9.350 7.835 1.515 1
1 98 . 3 1 1 A 16 16 PHE C C 14 174.300 172.809 1.491 1
1 99 . 3 1 1 A 16 16 PHE CA C 14 57.600 46.404 11.196 1
1 105 . 3 1 1 A 16 16 PHE N N 14 120.000 107.461 12.539 1
1 106 . 3 1 1 A 17 17 PHE H H 15 9.550 7.880 1.670 1
1 107 . 3 1 1 A 17 17 PHE HA H 15 5.600 4.092 1.508 1
1 112 . 3 1 1 A 17 17 PHE C C 15 177.700 176.948 0.752 1
1 113 . 3 1 1 A 17 17 PHE CA C 15 55.900 51.752 4.148 1
1 114 . 3 1 1 A 17 17 PHE CB C 15 44.100 19.004 25.096 1
1 117 . 3 1 1 A 17 17 PHE N N 15 115.700 127.517 -11.817 1
1 118 . 3 1 1 A 18 18 VAL H H 16 8.670 7.744 0.926 1
1 119 . 3 1 1 A 18 18 VAL HA H 16 4.220 5.413 -1.193 1
1 127 . 3 1 1 A 18 18 VAL C C 16 175.200 175.077 0.123 1
1 128 . 3 1 1 A 18 18 VAL CA C 16 62.700 55.469 7.231 1
1 129 . 3 1 1 A 18 18 VAL CB C 16 32.700 41.458 -8.758 1
1 132 . 3 1 1 A 18 18 VAL N N 16 117.200 121.892 -4.692 1
1 133 . 3 1 1 A 19 19 LEU H H 17 9.500 9.673 -0.173 1
1 134 . 3 1 1 A 19 19 LEU HA H 17 5.730 5.349 0.381 1
1 144 . 3 1 1 A 19 19 LEU C C 17 176.700 175.330 1.370 1
1 145 . 3 1 1 A 19 19 LEU CA C 17 52.100 56.975 -4.875 1
1 146 . 3 1 1 A 19 19 LEU CB C 17 46.800 42.628 4.172 1
1 150 . 3 1 1 A 19 19 LEU N N 17 127.100 118.637 8.463 1
1 151 . 3 1 1 A 20 20 VAL H H 18 9.170 8.863 0.307 1
1 152 . 3 1 1 A 20 20 VAL HA H 18 5.710 4.483 1.227 1
1 160 . 3 1 1 A 20 20 VAL C C 18 174.800 174.737 0.063 1
1 161 . 3 1 1 A 20 20 VAL CA C 18 59.300 62.592 -3.292 1
1 162 . 3 1 1 A 20 20 VAL CB C 18 36.700 31.121 5.579 1
1 165 . 3 1 1 A 20 20 VAL N N 18 115.900 121.605 -5.705 1
1 166 . 3 1 1 A 21 21 ASN H H 19 7.320 9.134 -1.814 1
1 167 . 3 1 1 A 21 21 ASN HA H 19 4.720 5.287 -0.567 1
1 170 . 3 1 1 A 21 21 ASN C C 19 177.700 175.000 2.700 1
1 171 . 3 1 1 A 21 21 ASN CA C 19 49.700 53.590 -3.890 1
1 172 . 3 1 1 A 21 21 ASN CB C 19 37.500 44.803 -7.303 1
1 173 . 3 1 1 A 21 21 ASN N N 19 122.600 130.017 -7.417 1
1 174 . 3 1 1 A 22 22 ASP H H 20 8.240 9.369 -1.129 1
1 175 . 3 1 1 A 22 22 ASP HA H 20 4.400 4.820 -0.420 1
1 178 . 3 1 1 A 22 22 ASP C C 20 176.600 175.332 1.268 1
1 179 . 3 1 1 A 22 22 ASP CA C 20 56.400 60.974 -4.574 1
1 180 . 3 1 1 A 22 22 ASP CB C 20 40.100 34.572 5.528 1
1 181 . 3 1 1 A 22 22 ASP N N 20 117.500 127.350 -9.850 1
1 182 . 3 1 1 A 23 23 GLU H H 21 7.220 8.521 -1.301 1
1 183 . 3 1 1 A 23 23 GLU HA H 21 4.380 5.189 -0.809 1
1 188 . 3 1 1 A 23 23 GLU C C 21 175.500 176.383 -0.883 1
1 189 . 3 1 1 A 23 23 GLU CA C 21 55.600 51.789 3.811 1
1 190 . 3 1 1 A 23 23 GLU CB C 21 29.500 41.098 -11.598 1
1 192 . 3 1 1 A 23 23 GLU N N 21 118.100 123.772 -5.672 1
1 193 . 3 1 1 A 24 24 ASP H H 22 8.030 8.592 -0.562 1
1 194 . 3 1 1 A 24 24 ASP HA H 22 4.280 4.403 -0.123 1
1 197 . 3 1 1 A 24 24 ASP CA C 22 56.200 57.259 -1.059 1
1 198 . 3 1 1 A 24 24 ASP CB C 22 40.000 40.992 -0.992 1
1 199 . 3 1 1 A 24 24 ASP N N 22 115.700 122.327 -6.627 1
1 200 . 3 1 1 A 25 25 GLN H H 23 7.710 7.940 -0.230 1
1 201 . 3 1 1 A 25 25 GLN HA H 23 4.270 4.464 -0.194 1
1 206 . 3 1 1 A 25 25 GLN C C 23 175.300 175.066 0.234 1
1 207 . 3 1 1 A 25 25 GLN CA C 23 55.200 56.568 -1.368 1
1 208 . 3 1 1 A 25 25 GLN CB C 23 29.400 30.523 -1.123 1
1 209 . 3 1 1 A 25 25 GLN N N 23 116.800 115.890 0.910 1
1 210 . 3 1 1 A 26 26 HIS H H 24 8.870 7.767 1.103 1
1 211 . 3 1 1 A 26 26 HIS HA H 24 6.030 4.931 1.099 1
1 214 . 3 1 1 A 26 26 HIS CA C 24 54.400 52.714 1.686 1
1 215 . 3 1 1 A 26 26 HIS CB C 24 32.700 42.745 -10.045 1
1 216 . 3 1 1 A 26 26 HIS N N 24 113.400 120.397 -6.997 1
1 219 . 3 1 1 A 27 27 SER CB C 25 66.800 30.150 36.650 1
1 220 . 3 1 1 A 28 28 LEU HA H 26 5.430 4.935 0.495 1
1 230 . 3 1 1 A 28 28 LEU CA C 26 56.100 54.693 1.407 1
1 231 . 3 1 1 A 28 28 LEU CB C 26 43.600 31.432 12.168 1
1 235 . 3 1 1 A 29 29 TRP HA H 27 5.320 5.076 0.244 1
1 242 . 3 1 1 A 29 29 TRP CA C 27 54.100 57.638 -3.538 1
1 243 . 3 1 1 A 29 29 TRP CB C 27 36.000 65.871 -29.871 1
1 248 . 3 1 1 A 30 30 PRO C C 28 177.500 175.194 2.306 1
1 249 . 3 1 1 A 30 30 PRO CA C 28 62.400 53.950 8.450 1
1 250 . 3 1 1 A 30 30 PRO CB C 28 31.700 40.920 -9.220 1
1 253 . 3 1 1 A 31 31 VAL H H 29 7.000 8.727 -1.727 1
1 254 . 3 1 1 A 31 31 VAL HA H 29 3.710 5.408 -1.698 1
1 262 . 3 1 1 A 31 31 VAL CA C 29 63.600 54.989 8.611 1
1 263 . 3 1 1 A 31 31 VAL CB C 29 31.200 32.489 -1.289 1
1 266 . 3 1 1 A 31 31 VAL N N 29 114.100 128.071 -13.971 1
1 270 . 3 1 1 A 33 33 ALA C C 31 177.500 176.483 1.017 1
1 271 . 3 1 1 A 33 33 ALA CA C 31 50.900 62.934 -12.034 1
1 272 . 3 1 1 A 33 33 ALA CB C 31 20.200 31.362 -11.162 1
1 273 . 3 1 1 A 34 34 ASP H H 32 8.830 7.761 1.069 1
1 274 . 3 1 1 A 34 34 ASP HA H 32 4.500 4.373 0.127 1
1 277 . 3 1 1 A 34 34 ASP C C 32 176.900 174.824 2.076 1
1 278 . 3 1 1 A 34 34 ASP CA C 32 55.200 59.159 -3.959 1
1 279 . 3 1 1 A 34 34 ASP CB C 32 40.400 39.327 1.073 1
1 280 . 3 1 1 A 34 34 ASP N N 32 124.600 121.758 2.842 1
1 281 . 3 1 1 A 35 35 ILE H H 33 8.590 7.071 1.519 1
1 282 . 3 1 1 A 35 35 ILE HA H 33 3.610 4.749 -1.139 1
1 292 . 3 1 1 A 35 35 ILE C C 33 176.100 175.847 0.253 1
1 293 . 3 1 1 A 35 35 ILE CA C 33 58.600 50.256 8.344 1
1 294 . 3 1 1 A 35 35 ILE CB C 33 37.600 22.496 15.104 1
1 298 . 3 1 1 A 35 35 ILE N N 33 125.200 120.732 4.468 1
1 299 . 3 1 1 A 36 36 PRO HA H 34 4.290 4.821 -0.531 1
1 306 . 3 1 1 A 36 36 PRO C C 34 179.400 176.063 3.337 1
1 307 . 3 1 1 A 36 36 PRO CA C 34 62.600 54.976 7.624 1
1 308 . 3 1 1 A 36 36 PRO CB C 34 31.600 41.261 -9.661 1
1 311 . 3 1 1 A 37 37 ALA H H 35 8.300 8.659 -0.359 1
1 312 . 3 1 1 A 37 37 ALA HA H 35 4.190 4.531 -0.341 1
1 316 . 3 1 1 A 37 37 ALA CA C 35 53.600 57.382 -3.782 1
1 317 . 3 1 1 A 37 37 ALA CB C 35 18.400 39.270 -20.870 1
1 318 . 3 1 1 A 37 37 ALA N N 35 123.600 123.780 -0.180 1
1 322 . 3 1 1 A 38 38 GLY C C 36 174.000 175.373 -1.373 1
1 323 . 3 1 1 A 38 38 GLY CA C 36 45.000 62.377 -17.377 1
1 324 . 3 1 1 A 38 38 GLY N N 36 110.200 143.114 -32.914 1
1 325 . 3 1 1 A 39 39 TRP H H 37 7.700 8.482 -0.782 1
1 326 . 3 1 1 A 39 39 TRP HA H 37 4.900 4.875 0.025 1
1 331 . 3 1 1 A 39 39 TRP C C 37 175.000 177.246 -2.246 1
1 332 . 3 1 1 A 39 39 TRP CA C 37 56.000 50.995 5.005 1
1 333 . 3 1 1 A 39 39 TRP CB C 37 31.800 22.588 9.212 1
1 335 . 3 1 1 A 39 39 TRP N N 37 120.800 120.838 -0.038 1
1 337 . 3 1 1 A 40 40 ARG H H 38 9.050 8.171 0.879 1
1 344 . 3 1 1 A 40 40 ARG C C 38 174.900 173.633 1.267 1
1 345 . 3 1 1 A 40 40 ARG CA C 38 54.000 45.417 8.583 1
1 349 . 3 1 1 A 40 40 ARG N N 38 118.200 109.253 8.947 1
1 350 . 3 1 1 A 41 41 VAL H H 39 8.660 6.925 1.735 1
1 351 . 3 1 1 A 41 41 VAL HA H 39 4.040 5.421 -1.381 1
1 359 . 3 1 1 A 41 41 VAL C C 39 178.000 174.454 3.546 1
1 360 . 3 1 1 A 41 41 VAL CA C 39 63.800 54.863 8.937 1
1 361 . 3 1 1 A 41 41 VAL CB C 39 32.400 32.715 -0.315 1
1 364 . 3 1 1 A 41 41 VAL N N 39 122.700 117.482 5.218 1
1 365 . 3 1 1 A 42 42 VAL H H 40 9.090 9.588 -0.498 1
1 366 . 3 1 1 A 42 42 VAL HA H 40 4.740 5.231 -0.491 1
1 374 . 3 1 1 A 42 42 VAL C C 40 174.800 175.304 -0.504 1
1 375 . 3 1 1 A 42 42 VAL CA C 40 61.000 54.988 6.012 1
1 376 . 3 1 1 A 42 42 VAL CB C 40 34.100 33.122 0.978 1
1 379 . 3 1 1 A 42 42 VAL N N 40 119.800 119.625 0.175 1
1 380 . 3 1 1 A 43 43 HIS H H 41 7.700 9.366 -1.666 1
1 381 . 3 1 1 A 43 43 HIS HA H 41 4.530 4.336 0.194 1
1 384 . 3 1 1 A 43 43 HIS C C 41 173.400 175.435 -2.035 1
1 385 . 3 1 1 A 43 43 HIS CA C 41 57.500 63.567 -6.067 1
1 386 . 3 1 1 A 43 43 HIS CB C 41 32.800 31.336 1.464 1
1 387 . 3 1 1 A 43 43 HIS N N 41 119.700 125.427 -5.727 1
1 388 . 3 1 1 A 44 44 GLY H H 42 7.590 9.009 -1.419 1
1 391 . 3 1 1 A 44 44 GLY C C 42 174.600 175.688 -1.088 1
1 392 . 3 1 1 A 44 44 GLY CA C 42 42.400 64.162 -21.762 1
1 393 . 3 1 1 A 44 44 GLY N N 42 112.000 129.075 -17.075 1
1 394 . 3 1 1 A 45 45 GLU H H 43 8.700 7.516 1.184 1
1 395 . 3 1 1 A 45 45 GLU HA H 43 4.120 5.107 -0.987 1
1 400 . 3 1 1 A 45 45 GLU C C 43 175.200 175.182 0.018 1
1 401 . 3 1 1 A 45 45 GLU CA C 43 56.900 54.512 2.388 1
1 402 . 3 1 1 A 45 45 GLU CB C 43 30.900 33.472 -2.572 1
1 404 . 3 1 1 A 45 45 GLU N N 43 121.700 116.444 5.256 1
1 405 . 3 1 1 A 46 46 ALA H H 44 9.400 8.453 0.947 1
1 409 . 3 1 1 A 46 46 ALA C C 44 175.100 172.566 2.534 1
1 410 . 3 1 1 A 46 46 ALA CA C 44 51.100 43.762 7.338 1
1 412 . 3 1 1 A 46 46 ALA N N 44 127.000 107.827 19.173 1
1 413 . 3 1 1 A 47 47 SER H H 45 8.710 8.093 0.617 1
1 414 . 3 1 1 A 47 47 SER HA H 45 4.730 5.102 -0.372 1
1 417 . 3 1 1 A 47 47 SER C C 45 175.000 176.050 -1.050 1
1 418 . 3 1 1 A 47 47 SER CA C 45 57.900 55.691 2.209 1
1 419 . 3 1 1 A 47 47 SER CB C 45 64.900 29.828 35.072 1
1 420 . 3 1 1 A 47 47 SER N N 45 115.300 119.908 -4.608 1
1 421 . 3 1 1 A 48 48 ARG H H 46 9.520 8.339 1.181 1
1 422 . 3 1 1 A 48 48 ARG HA H 46 3.390 4.986 -1.596 1
1 429 . 3 1 1 A 48 48 ARG C C 46 178.300 176.554 1.746 1
1 430 . 3 1 1 A 48 48 ARG CA C 46 61.000 50.086 10.914 1
1 431 . 3 1 1 A 48 48 ARG CB C 46 30.100 22.906 7.194 1
1 434 . 3 1 1 A 48 48 ARG N N 46 123.400 126.634 -3.234 1
1 435 . 3 1 1 A 49 49 ALA H H 47 8.620 8.565 0.055 1
1 436 . 3 1 1 A 49 49 ALA HA H 47 3.970 4.662 -0.692 1
1 440 . 3 1 1 A 49 49 ALA C C 47 180.500 175.459 5.041 1
1 441 . 3 1 1 A 49 49 ALA CA C 47 55.400 58.871 -3.471 1
1 442 . 3 1 1 A 49 49 ALA CB C 47 18.200 63.680 -45.480 1
1 443 . 3 1 1 A 49 49 ALA N N 47 118.800 113.964 4.836 1
1 444 . 3 1 1 A 50 50 ALA H H 48 8.130 8.808 -0.678 1
1 445 . 3 1 1 A 50 50 ALA HA H 48 4.260 3.495 0.765 1
1 449 . 3 1 1 A 50 50 ALA C C 48 182.500 177.671 4.829 1
1 450 . 3 1 1 A 50 50 ALA CA C 48 54.900 59.388 -4.488 1
1 451 . 3 1 1 A 50 50 ALA CB C 48 19.100 29.076 -9.976 1
1 452 . 3 1 1 A 50 50 ALA N N 48 122.100 123.983 -1.883 1
1 453 . 3 1 1 A 51 51 CYS H H 49 8.530 7.896 0.634 1
1 454 . 3 1 1 A 51 51 CYS HA H 49 4.070 4.083 -0.013 1
1 457 . 3 1 1 A 51 51 CYS C C 49 176.800 179.958 -3.158 1
1 458 . 3 1 1 A 51 51 CYS CA C 49 65.000 55.029 9.971 1
1 459 . 3 1 1 A 51 51 CYS CB C 49 27.100 18.116 8.984 1
1 460 . 3 1 1 A 51 51 CYS N N 49 119.000 120.754 -1.754 1
1 461 . 3 1 1 A 52 52 LEU H H 50 8.660 8.150 0.510 1
1 462 . 3 1 1 A 52 52 LEU HA H 50 3.990 3.984 0.006 1
1 472 . 3 1 1 A 52 52 LEU C C 50 179.800 179.602 0.198 1
1 473 . 3 1 1 A 52 52 LEU CA C 50 58.200 55.070 3.130 1
1 474 . 3 1 1 A 52 52 LEU CB C 50 41.000 18.094 22.906 1
1 478 . 3 1 1 A 52 52 LEU N N 50 121.100 119.768 1.332 1
1 479 . 3 1 1 A 53 53 ASP H H 51 8.020 8.154 -0.134 1
1 480 . 3 1 1 A 53 53 ASP HA H 51 4.370 4.100 0.270 1
1 483 . 3 1 1 A 53 53 ASP C C 51 177.500 177.245 0.255 1
1 484 . 3 1 1 A 53 53 ASP CA C 51 57.500 63.854 -6.354 1
1 485 . 3 1 1 A 53 53 ASP CB C 51 41.500 27.233 14.267 1
1 486 . 3 1 1 A 53 53 ASP N N 51 120.300 116.074 4.226 1
1 487 . 3 1 1 A 54 54 TYR H H 52 7.760 8.701 -0.941 1
1 488 . 3 1 1 A 54 54 TYR HA H 52 3.770 3.964 -0.194 1
1 495 . 3 1 1 A 54 54 TYR C C 52 179.000 177.885 1.115 1
1 496 . 3 1 1 A 54 54 TYR CA C 52 62.300 58.109 4.191 1
1 497 . 3 1 1 A 54 54 TYR CB C 52 37.700 41.614 -3.914 1
1 502 . 3 1 1 A 54 54 TYR N N 52 119.700 121.482 -1.782 1
1 503 . 3 1 1 A 55 55 VAL H H 53 8.250 8.543 -0.293 1
1 504 . 3 1 1 A 55 55 VAL HA H 53 3.580 4.230 -0.650 1
1 512 . 3 1 1 A 55 55 VAL C C 53 177.700 177.620 0.080 1
1 513 . 3 1 1 A 55 55 VAL CA C 53 66.800 57.215 9.585 1
1 514 . 3 1 1 A 55 55 VAL CB C 53 31.900 41.879 -9.979 1
1 517 . 3 1 1 A 55 55 VAL N N 53 120.200 119.109 1.091 1
1 518 . 3 1 1 A 56 56 GLU H H 54 8.170 8.165 0.005 1
1 519 . 3 1 1 A 56 56 GLU HA H 54 4.010 4.181 -0.171 1
1 524 . 3 1 1 A 56 56 GLU C C 54 178.700 177.778 0.922 1
1 525 . 3 1 1 A 56 56 GLU CA C 54 59.200 61.380 -2.180 1
1 526 . 3 1 1 A 56 56 GLU CB C 54 29.600 38.704 -9.104 1
1 528 . 3 1 1 A 56 56 GLU N N 54 119.600 120.739 -1.139 1
1 529 . 3 1 1 A 57 57 LYS H H 55 7.800 8.243 -0.443 1
1 530 . 3 1 1 A 57 57 LYS HA H 55 4.040 3.654 0.386 1
1 539 . 3 1 1 A 57 57 LYS C C 55 177.900 178.002 -0.102 1
1 540 . 3 1 1 A 57 57 LYS CA C 55 57.900 66.906 -9.006 1
1 541 . 3 1 1 A 57 57 LYS CB C 55 33.300 31.413 1.887 1
1 545 . 3 1 1 A 57 57 LYS N N 55 115.700 119.190 -3.490 1
1 546 . 3 1 1 A 58 58 ASN H H 56 7.570 8.252 -0.682 1
1 547 . 3 1 1 A 58 58 ASN HA H 56 4.490 3.882 0.608 1
1 552 . 3 1 1 A 58 58 ASN C C 56 174.300 178.620 -4.320 1
1 553 . 3 1 1 A 58 58 ASN CA C 56 54.700 59.369 -4.669 1
1 554 . 3 1 1 A 58 58 ASN CB C 56 40.100 29.238 10.862 1
1 555 . 3 1 1 A 58 58 ASN N N 56 115.000 121.445 -6.445 1
1 557 . 3 1 1 A 59 59 TRP H H 57 8.120 8.044 0.076 1
1 562 . 3 1 1 A 59 59 TRP CA C 57 57.800 57.819 -0.019 1
1 563 . 3 1 1 A 59 59 TRP CB C 57 29.800 32.462 -2.662 1
1 564 . 3 1 1 A 59 59 TRP N N 57 121.400 118.640 2.760 1
1 566 . 3 1 1 A 64 64 PRO HA H 62 4.410 4.892 -0.482 1
1 571 . 3 1 1 A 64 64 PRO C C 62 176.200 175.752 0.448 1
1 572 . 3 1 1 A 64 64 PRO CA C 62 63.300 54.940 8.360 1
1 573 . 3 1 1 A 64 64 PRO CB C 62 32.100 42.295 -10.195 1
1 576 . 3 1 1 A 65 65 LYS H H 63 8.030 8.209 -0.179 1
1 577 . 3 1 1 A 65 65 LYS HA H 63 4.130 4.831 -0.701 1
1 580 . 3 1 1 A 65 65 LYS CA C 63 57.700 53.068 4.632 1
1 581 . 3 1 1 A 65 65 LYS CB C 63 33.600 32.633 0.967 1
1 3 . 4 1 1 A 4 4 MET H H 2 8.430 8.235 0.195 1
1 7 . 4 1 1 A 4 4 MET C C 2 176.000 173.828 2.172 1
1 8 . 4 1 1 A 4 4 MET CA C 2 55.400 58.073 -2.673 1
1 9 . 4 1 1 A 4 4 MET CB C 2 32.900 63.872 -30.972 1
1 11 . 4 1 1 A 4 4 MET N N 2 120.500 114.901 5.599 1
1 12 . 4 1 1 A 5 5 SER H H 3 8.400 8.961 -0.561 1
1 13 . 4 1 1 A 5 5 SER HA H 3 4.500 5.367 -0.867 1
1 16 . 4 1 1 A 5 5 SER C C 3 174.700 174.289 0.411 1
1 17 . 4 1 1 A 5 5 SER CA C 3 58.400 54.534 3.866 1
1 18 . 4 1 1 A 5 5 SER CB C 3 63.800 33.412 30.388 1
1 19 . 4 1 1 A 5 5 SER N N 3 117.300 123.366 -6.066 1
1 20 . 4 1 1 A 6 6 THR H H 4 8.210 8.839 -0.629 1
1 21 . 4 1 1 A 6 6 THR HA H 4 4.330 4.903 -0.573 1
1 26 . 4 1 1 A 6 6 THR C C 4 174.000 174.155 -0.155 1
1 27 . 4 1 1 A 6 6 THR CA C 4 61.900 53.803 8.097 1
1 28 . 4 1 1 A 6 6 THR CB C 4 69.900 35.654 34.246 1
1 30 . 4 1 1 A 6 6 THR N N 4 115.400 120.016 -4.616 1
1 31 . 4 1 1 A 7 7 ASN H H 5 8.440 8.559 -0.119 1
1 32 . 4 1 1 A 7 7 ASN HA H 5 4.950 4.578 0.372 1
1 37 . 4 1 1 A 7 7 ASN CA C 5 50.900 57.555 -6.655 1
1 38 . 4 1 1 A 7 7 ASN CB C 5 39.000 61.586 -22.586 1
1 39 . 4 1 1 A 7 7 ASN N N 5 121.600 116.759 4.841 1
1 41 . 4 1 1 A 8 8 PRO HA H 6 4.310 5.136 -0.826 1
1 48 . 4 1 1 A 8 8 PRO C C 6 177.100 173.376 3.724 1
1 49 . 4 1 1 A 8 8 PRO CA C 6 64.000 60.611 3.389 1
1 50 . 4 1 1 A 8 8 PRO CB C 6 32.100 70.884 -38.784 1
1 53 . 4 1 1 A 9 9 PHE H H 7 8.020 8.924 -0.904 1
1 54 . 4 1 1 A 9 9 PHE HA H 7 4.480 5.494 -1.014 1
1 59 . 4 1 1 A 9 9 PHE CA C 7 58.300 50.619 7.681 1
1 60 . 4 1 1 A 9 9 PHE CB C 7 38.800 39.729 -0.929 1
1 63 . 4 1 1 A 9 9 PHE N N 7 117.200 124.035 -6.835 1
1 64 . 4 1 1 A 12 12 ASP C C 10 176.700 175.314 1.386 1
1 65 . 4 1 1 A 12 12 ASP CA C 10 54.800 52.749 2.051 1
1 66 . 4 1 1 A 12 12 ASP CB C 10 41.000 42.789 -1.789 1
1 67 . 4 1 1 A 13 13 ASN H H 11 8.490 8.384 0.106 1
1 70 . 4 1 1 A 13 13 ASN C C 11 175.700 175.309 0.391 1
1 71 . 4 1 1 A 13 13 ASN CA C 11 53.400 54.703 -1.303 1
1 72 . 4 1 1 A 13 13 ASN CB C 11 39.200 41.420 -2.220 1
1 73 . 4 1 1 A 13 13 ASN N N 11 118.500 122.106 -3.606 1
1 75 . 4 1 1 A 14 14 GLY H H 12 8.200 8.593 -0.393 1
1 78 . 4 1 1 A 14 14 GLY C C 12 172.200 176.531 -4.331 1
1 79 . 4 1 1 A 14 14 GLY CA C 12 45.200 53.666 -8.466 1
1 80 . 4 1 1 A 14 14 GLY N N 12 108.500 124.834 -16.334 1
1 81 . 4 1 1 A 15 15 ALA H H 13 7.670 9.129 -1.459 1
1 82 . 4 1 1 A 15 15 ALA HA H 13 4.600 4.664 -0.064 1
1 86 . 4 1 1 A 15 15 ALA C C 13 176.500 175.630 0.870 1
1 87 . 4 1 1 A 15 15 ALA CA C 13 51.400 53.211 -1.811 1
1 88 . 4 1 1 A 15 15 ALA CB C 13 21.000 39.405 -18.405 1
1 89 . 4 1 1 A 15 15 ALA N N 13 122.600 120.371 2.229 1
1 90 . 4 1 1 A 16 16 PHE H H 14 9.350 9.034 0.316 1
1 98 . 4 1 1 A 16 16 PHE C C 14 174.300 173.306 0.994 1
1 99 . 4 1 1 A 16 16 PHE CA C 14 57.600 46.635 10.965 1
1 105 . 4 1 1 A 16 16 PHE N N 14 120.000 106.646 13.354 1
1 106 . 4 1 1 A 17 17 PHE H H 15 9.550 7.740 1.810 1
1 107 . 4 1 1 A 17 17 PHE HA H 15 5.600 4.393 1.207 1
1 112 . 4 1 1 A 17 17 PHE C C 15 177.700 175.184 2.516 1
1 113 . 4 1 1 A 17 17 PHE CA C 15 55.900 51.099 4.801 1
1 114 . 4 1 1 A 17 17 PHE CB C 15 44.100 22.627 21.473 1
1 117 . 4 1 1 A 17 17 PHE N N 15 115.700 124.304 -8.604 1
1 118 . 4 1 1 A 18 18 VAL H H 16 8.670 8.387 0.283 1
1 119 . 4 1 1 A 18 18 VAL HA H 16 4.220 5.401 -1.181 1
1 127 . 4 1 1 A 18 18 VAL C C 16 175.200 172.651 2.549 1
1 128 . 4 1 1 A 18 18 VAL CA C 16 62.700 55.852 6.848 1
1 129 . 4 1 1 A 18 18 VAL CB C 16 32.700 42.583 -9.883 1
1 132 . 4 1 1 A 18 18 VAL N N 16 117.200 116.160 1.040 1
1 133 . 4 1 1 A 19 19 LEU H H 17 9.500 9.641 -0.141 1
1 134 . 4 1 1 A 19 19 LEU HA H 17 5.730 5.290 0.440 1
1 144 . 4 1 1 A 19 19 LEU C C 17 176.700 175.282 1.418 1
1 145 . 4 1 1 A 19 19 LEU CA C 17 52.100 56.919 -4.819 1
1 146 . 4 1 1 A 19 19 LEU CB C 17 46.800 43.119 3.681 1
1 150 . 4 1 1 A 19 19 LEU N N 17 127.100 118.700 8.400 1
1 151 . 4 1 1 A 20 20 VAL H H 18 9.170 9.245 -0.075 1
1 152 . 4 1 1 A 20 20 VAL HA H 18 5.710 4.793 0.917 1
1 160 . 4 1 1 A 20 20 VAL C C 18 174.800 174.803 -0.003 1
1 161 . 4 1 1 A 20 20 VAL CA C 18 59.300 62.498 -3.198 1
1 162 . 4 1 1 A 20 20 VAL CB C 18 36.700 31.799 4.901 1
1 165 . 4 1 1 A 20 20 VAL N N 18 115.900 121.298 -5.398 1
1 166 . 4 1 1 A 21 21 ASN H H 19 7.320 9.442 -2.122 1
1 167 . 4 1 1 A 21 21 ASN HA H 19 4.720 5.246 -0.526 1
1 170 . 4 1 1 A 21 21 ASN C C 19 177.700 174.893 2.807 1
1 171 . 4 1 1 A 21 21 ASN CA C 19 49.700 53.694 -3.994 1
1 172 . 4 1 1 A 21 21 ASN CB C 19 37.500 44.592 -7.092 1
1 173 . 4 1 1 A 21 21 ASN N N 19 122.600 130.136 -7.536 1
1 174 . 4 1 1 A 22 22 ASP H H 20 8.240 9.293 -1.053 1
1 175 . 4 1 1 A 22 22 ASP HA H 20 4.400 4.830 -0.430 1
1 178 . 4 1 1 A 22 22 ASP C C 20 176.600 174.422 2.178 1
1 179 . 4 1 1 A 22 22 ASP CA C 20 56.400 60.676 -4.276 1
1 180 . 4 1 1 A 22 22 ASP CB C 20 40.100 35.401 4.699 1
1 181 . 4 1 1 A 22 22 ASP N N 20 117.500 127.130 -9.630 1
1 182 . 4 1 1 A 23 23 GLU H H 21 7.220 8.823 -1.603 1
1 183 . 4 1 1 A 23 23 GLU HA H 21 4.380 5.222 -0.842 1
1 188 . 4 1 1 A 23 23 GLU C C 21 175.500 175.152 0.348 1
1 189 . 4 1 1 A 23 23 GLU CA C 21 55.600 51.233 4.367 1
1 190 . 4 1 1 A 23 23 GLU CB C 21 29.500 42.076 -12.576 1
1 192 . 4 1 1 A 23 23 GLU N N 21 118.100 123.759 -5.659 1
1 193 . 4 1 1 A 24 24 ASP H H 22 8.030 8.953 -0.923 1
1 194 . 4 1 1 A 24 24 ASP HA H 22 4.280 4.322 -0.042 1
1 197 . 4 1 1 A 24 24 ASP CA C 22 56.200 57.255 -1.055 1
1 198 . 4 1 1 A 24 24 ASP CB C 22 40.000 40.432 -0.432 1
1 199 . 4 1 1 A 24 24 ASP N N 22 115.700 124.876 -9.176 1
1 200 . 4 1 1 A 25 25 GLN H H 23 7.710 7.783 -0.073 1
1 201 . 4 1 1 A 25 25 GLN HA H 23 4.270 4.489 -0.219 1
1 206 . 4 1 1 A 25 25 GLN C C 23 175.300 174.988 0.312 1
1 207 . 4 1 1 A 25 25 GLN CA C 23 55.200 55.970 -0.770 1
1 208 . 4 1 1 A 25 25 GLN CB C 23 29.400 30.610 -1.210 1
1 209 . 4 1 1 A 25 25 GLN N N 23 116.800 115.826 0.974 1
1 210 . 4 1 1 A 26 26 HIS H H 24 8.870 7.818 1.052 1
1 211 . 4 1 1 A 26 26 HIS HA H 24 6.030 4.814 1.216 1
1 214 . 4 1 1 A 26 26 HIS CA C 24 54.400 52.983 1.417 1
1 215 . 4 1 1 A 26 26 HIS CB C 24 32.700 42.599 -9.899 1
1 216 . 4 1 1 A 26 26 HIS N N 24 113.400 122.228 -8.828 1
1 219 . 4 1 1 A 27 27 SER CB C 25 66.800 29.847 36.953 1
1 220 . 4 1 1 A 28 28 LEU HA H 26 5.430 4.966 0.464 1
1 230 . 4 1 1 A 28 28 LEU CA C 26 56.100 54.902 1.198 1
1 231 . 4 1 1 A 28 28 LEU CB C 26 43.600 31.566 12.034 1
1 235 . 4 1 1 A 29 29 TRP HA H 27 5.320 5.194 0.126 1
1 242 . 4 1 1 A 29 29 TRP CA C 27 54.100 57.559 -3.459 1
1 243 . 4 1 1 A 29 29 TRP CB C 27 36.000 65.850 -29.850 1
1 248 . 4 1 1 A 30 30 PRO C C 28 177.500 175.282 2.218 1
1 249 . 4 1 1 A 30 30 PRO CA C 28 62.400 54.279 8.121 1
1 250 . 4 1 1 A 30 30 PRO CB C 28 31.700 41.524 -9.824 1
1 253 . 4 1 1 A 31 31 VAL H H 29 7.000 9.058 -2.058 1
1 254 . 4 1 1 A 31 31 VAL HA H 29 3.710 5.420 -1.710 1
1 262 . 4 1 1 A 31 31 VAL CA C 29 63.600 54.811 8.789 1
1 263 . 4 1 1 A 31 31 VAL CB C 29 31.200 31.814 -0.614 1
1 266 . 4 1 1 A 31 31 VAL N N 29 114.100 128.016 -13.916 1
1 270 . 4 1 1 A 33 33 ALA C C 31 177.500 176.264 1.236 1
1 271 . 4 1 1 A 33 33 ALA CA C 31 50.900 62.816 -11.916 1
1 272 . 4 1 1 A 33 33 ALA CB C 31 20.200 30.670 -10.470 1
1 273 . 4 1 1 A 34 34 ASP H H 32 8.830 7.798 1.032 1
1 274 . 4 1 1 A 34 34 ASP HA H 32 4.500 4.312 0.188 1
1 277 . 4 1 1 A 34 34 ASP C C 32 176.900 175.025 1.875 1
1 278 . 4 1 1 A 34 34 ASP CA C 32 55.200 59.388 -4.188 1
1 279 . 4 1 1 A 34 34 ASP CB C 32 40.400 39.658 0.742 1
1 280 . 4 1 1 A 34 34 ASP N N 32 124.600 121.691 2.909 1
1 281 . 4 1 1 A 35 35 ILE H H 33 8.590 7.189 1.401 1
1 282 . 4 1 1 A 35 35 ILE HA H 33 3.610 4.478 -0.868 1
1 292 . 4 1 1 A 35 35 ILE C C 33 176.100 176.307 -0.207 1
1 293 . 4 1 1 A 35 35 ILE CA C 33 58.600 50.045 8.555 1
1 294 . 4 1 1 A 35 35 ILE CB C 33 37.600 21.837 15.763 1
1 298 . 4 1 1 A 35 35 ILE N N 33 125.200 120.396 4.804 1
1 299 . 4 1 1 A 36 36 PRO HA H 34 4.290 4.775 -0.485 1
1 306 . 4 1 1 A 36 36 PRO C C 34 179.400 176.019 3.381 1
1 307 . 4 1 1 A 36 36 PRO CA C 34 62.600 55.029 7.571 1
1 308 . 4 1 1 A 36 36 PRO CB C 34 31.600 41.223 -9.623 1
1 311 . 4 1 1 A 37 37 ALA H H 35 8.300 8.326 -0.026 1
1 312 . 4 1 1 A 37 37 ALA HA H 35 4.190 4.533 -0.343 1
1 316 . 4 1 1 A 37 37 ALA CA C 35 53.600 57.482 -3.882 1
1 317 . 4 1 1 A 37 37 ALA CB C 35 18.400 39.846 -21.446 1
1 318 . 4 1 1 A 37 37 ALA N N 35 123.600 122.719 0.881 1
1 322 . 4 1 1 A 38 38 GLY C C 36 174.000 175.538 -1.538 1
1 323 . 4 1 1 A 38 38 GLY CA C 36 45.000 64.638 -19.638 1
1 324 . 4 1 1 A 38 38 GLY N N 36 110.200 141.281 -31.081 1
1 325 . 4 1 1 A 39 39 TRP H H 37 7.700 8.164 -0.464 1
1 326 . 4 1 1 A 39 39 TRP HA H 37 4.900 4.753 0.147 1
1 331 . 4 1 1 A 39 39 TRP C C 37 175.000 176.622 -1.622 1
1 332 . 4 1 1 A 39 39 TRP CA C 37 56.000 51.344 4.656 1
1 333 . 4 1 1 A 39 39 TRP CB C 37 31.800 22.235 9.565 1
1 335 . 4 1 1 A 39 39 TRP N N 37 120.800 117.956 2.844 1
1 337 . 4 1 1 A 40 40 ARG H H 38 9.050 8.537 0.513 1
1 344 . 4 1 1 A 40 40 ARG C C 38 174.900 173.949 0.951 1
1 345 . 4 1 1 A 40 40 ARG CA C 38 54.000 46.272 7.728 1
1 349 . 4 1 1 A 40 40 ARG N N 38 118.200 108.685 9.515 1
1 350 . 4 1 1 A 41 41 VAL H H 39 8.660 7.176 1.484 1
1 351 . 4 1 1 A 41 41 VAL HA H 39 4.040 4.958 -0.918 1
1 359 . 4 1 1 A 41 41 VAL C C 39 178.000 175.438 2.562 1
1 360 . 4 1 1 A 41 41 VAL CA C 39 63.800 55.515 8.285 1
1 361 . 4 1 1 A 41 41 VAL CB C 39 32.400 32.458 -0.058 1
1 364 . 4 1 1 A 41 41 VAL N N 39 122.700 119.036 3.664 1
1 365 . 4 1 1 A 42 42 VAL H H 40 9.090 8.990 0.100 1
1 366 . 4 1 1 A 42 42 VAL HA H 40 4.740 5.188 -0.448 1
1 374 . 4 1 1 A 42 42 VAL C C 40 174.800 175.231 -0.431 1
1 375 . 4 1 1 A 42 42 VAL CA C 40 61.000 54.726 6.274 1
1 376 . 4 1 1 A 42 42 VAL CB C 40 34.100 32.471 1.629 1
1 379 . 4 1 1 A 42 42 VAL N N 40 119.800 119.930 -0.130 1
1 380 . 4 1 1 A 43 43 HIS H H 41 7.700 9.255 -1.555 1
1 381 . 4 1 1 A 43 43 HIS HA H 41 4.530 4.654 -0.124 1
1 384 . 4 1 1 A 43 43 HIS C C 41 173.400 175.534 -2.134 1
1 385 . 4 1 1 A 43 43 HIS CA C 41 57.500 62.949 -5.449 1
1 386 . 4 1 1 A 43 43 HIS CB C 41 32.800 31.412 1.388 1
1 387 . 4 1 1 A 43 43 HIS N N 41 119.700 125.342 -5.642 1
1 388 . 4 1 1 A 44 44 GLY H H 42 7.590 8.969 -1.379 1
1 391 . 4 1 1 A 44 44 GLY C C 42 174.600 176.216 -1.616 1
1 392 . 4 1 1 A 44 44 GLY CA C 42 42.400 64.117 -21.717 1
1 393 . 4 1 1 A 44 44 GLY N N 42 112.000 128.853 -16.853 1
1 394 . 4 1 1 A 45 45 GLU H H 43 8.700 7.655 1.045 1
1 395 . 4 1 1 A 45 45 GLU HA H 43 4.120 4.704 -0.584 1
1 400 . 4 1 1 A 45 45 GLU C C 43 175.200 173.385 1.815 1
1 401 . 4 1 1 A 45 45 GLU CA C 43 56.900 54.854 2.046 1
1 402 . 4 1 1 A 45 45 GLU CB C 43 30.900 33.079 -2.179 1
1 404 . 4 1 1 A 45 45 GLU N N 43 121.700 118.376 3.324 1
1 405 . 4 1 1 A 46 46 ALA H H 44 9.400 8.021 1.379 1
1 409 . 4 1 1 A 46 46 ALA C C 44 175.100 172.912 2.188 1
1 410 . 4 1 1 A 46 46 ALA CA C 44 51.100 43.777 7.323 1
1 412 . 4 1 1 A 46 46 ALA N N 44 127.000 112.023 14.977 1
1 413 . 4 1 1 A 47 47 SER H H 45 8.710 8.306 0.404 1
1 414 . 4 1 1 A 47 47 SER HA H 45 4.730 5.154 -0.424 1
1 417 . 4 1 1 A 47 47 SER C C 45 175.000 176.240 -1.240 1
1 418 . 4 1 1 A 47 47 SER CA C 45 57.900 55.904 1.996 1
1 419 . 4 1 1 A 47 47 SER CB C 45 64.900 29.812 35.088 1
1 420 . 4 1 1 A 47 47 SER N N 45 115.300 117.639 -2.339 1
1 421 . 4 1 1 A 48 48 ARG H H 46 9.520 8.249 1.271 1
1 422 . 4 1 1 A 48 48 ARG HA H 46 3.390 4.827 -1.437 1
1 429 . 4 1 1 A 48 48 ARG C C 46 178.300 176.410 1.890 1
1 430 . 4 1 1 A 48 48 ARG CA C 46 61.000 50.911 10.089 1
1 431 . 4 1 1 A 48 48 ARG CB C 46 30.100 23.371 6.729 1
1 434 . 4 1 1 A 48 48 ARG N N 46 123.400 126.782 -3.382 1
1 435 . 4 1 1 A 49 49 ALA H H 47 8.620 8.527 0.093 1
1 436 . 4 1 1 A 49 49 ALA HA H 47 3.970 4.527 -0.557 1
1 440 . 4 1 1 A 49 49 ALA C C 47 180.500 174.907 5.593 1
1 441 . 4 1 1 A 49 49 ALA CA C 47 55.400 60.159 -4.759 1
1 442 . 4 1 1 A 49 49 ALA CB C 47 18.200 63.674 -45.474 1
1 443 . 4 1 1 A 49 49 ALA N N 47 118.800 115.626 3.174 1
1 444 . 4 1 1 A 50 50 ALA H H 48 8.130 8.858 -0.728 1
1 445 . 4 1 1 A 50 50 ALA HA H 48 4.260 3.588 0.672 1
1 449 . 4 1 1 A 50 50 ALA C C 48 182.500 177.866 4.634 1
1 450 . 4 1 1 A 50 50 ALA CA C 48 54.900 59.562 -4.662 1
1 451 . 4 1 1 A 50 50 ALA CB C 48 19.100 29.203 -10.103 1
1 452 . 4 1 1 A 50 50 ALA N N 48 122.100 125.807 -3.707 1
1 453 . 4 1 1 A 51 51 CYS H H 49 8.530 7.883 0.647 1
1 454 . 4 1 1 A 51 51 CYS HA H 49 4.070 4.084 -0.014 1
1 457 . 4 1 1 A 51 51 CYS C C 49 176.800 180.145 -3.345 1
1 458 . 4 1 1 A 51 51 CYS CA C 49 65.000 54.945 10.055 1
1 459 . 4 1 1 A 51 51 CYS CB C 49 27.100 17.995 9.105 1
1 460 . 4 1 1 A 51 51 CYS N N 49 119.000 120.272 -1.272 1
1 461 . 4 1 1 A 52 52 LEU H H 50 8.660 8.184 0.476 1
1 462 . 4 1 1 A 52 52 LEU HA H 50 3.990 4.070 -0.080 1
1 472 . 4 1 1 A 52 52 LEU C C 50 179.800 179.424 0.376 1
1 473 . 4 1 1 A 52 52 LEU CA C 50 58.200 55.066 3.134 1
1 474 . 4 1 1 A 52 52 LEU CB C 50 41.000 18.134 22.866 1
1 478 . 4 1 1 A 52 52 LEU N N 50 121.100 119.979 1.121 1
1 479 . 4 1 1 A 53 53 ASP H H 51 8.020 8.150 -0.130 1
1 480 . 4 1 1 A 53 53 ASP HA H 51 4.370 3.953 0.417 1
1 483 . 4 1 1 A 53 53 ASP C C 51 177.500 177.118 0.382 1
1 484 . 4 1 1 A 53 53 ASP CA C 51 57.500 64.013 -6.513 1
1 485 . 4 1 1 A 53 53 ASP CB C 51 41.500 27.287 14.213 1
1 486 . 4 1 1 A 53 53 ASP N N 51 120.300 116.124 4.176 1
1 487 . 4 1 1 A 54 54 TYR H H 52 7.760 8.443 -0.683 1
1 488 . 4 1 1 A 54 54 TYR HA H 52 3.770 3.859 -0.089 1
1 495 . 4 1 1 A 54 54 TYR C C 52 179.000 178.504 0.496 1
1 496 . 4 1 1 A 54 54 TYR CA C 52 62.300 58.163 4.137 1
1 497 . 4 1 1 A 54 54 TYR CB C 52 37.700 41.597 -3.897 1
1 502 . 4 1 1 A 54 54 TYR N N 52 119.700 120.633 -0.933 1
1 503 . 4 1 1 A 55 55 VAL H H 53 8.250 8.234 0.016 1
1 504 . 4 1 1 A 55 55 VAL HA H 53 3.580 4.235 -0.655 1
1 512 . 4 1 1 A 55 55 VAL C C 53 177.700 177.644 0.056 1
1 513 . 4 1 1 A 55 55 VAL CA C 53 66.800 57.287 9.513 1
1 514 . 4 1 1 A 55 55 VAL CB C 53 31.900 41.947 -10.047 1
1 517 . 4 1 1 A 55 55 VAL N N 53 120.200 118.782 1.418 1
1 518 . 4 1 1 A 56 56 GLU H H 54 8.170 8.171 -0.001 1
1 519 . 4 1 1 A 56 56 GLU HA H 54 4.010 4.128 -0.118 1
1 524 . 4 1 1 A 56 56 GLU C C 54 178.700 177.743 0.957 1
1 525 . 4 1 1 A 56 56 GLU CA C 54 59.200 61.326 -2.126 1
1 526 . 4 1 1 A 56 56 GLU CB C 54 29.600 38.636 -9.036 1
1 528 . 4 1 1 A 56 56 GLU N N 54 119.600 120.818 -1.218 1
1 529 . 4 1 1 A 57 57 LYS H H 55 7.800 8.383 -0.583 1
1 530 . 4 1 1 A 57 57 LYS HA H 55 4.040 3.624 0.416 1
1 539 . 4 1 1 A 57 57 LYS C C 55 177.900 177.757 0.143 1
1 540 . 4 1 1 A 57 57 LYS CA C 55 57.900 66.803 -8.903 1
1 541 . 4 1 1 A 57 57 LYS CB C 55 33.300 31.296 2.004 1
1 545 . 4 1 1 A 57 57 LYS N N 55 115.700 119.130 -3.430 1
1 546 . 4 1 1 A 58 58 ASN H H 56 7.570 8.124 -0.554 1
1 547 . 4 1 1 A 58 58 ASN HA H 56 4.490 3.766 0.724 1
1 552 . 4 1 1 A 58 58 ASN C C 56 174.300 178.568 -4.268 1
1 553 . 4 1 1 A 58 58 ASN CA C 56 54.700 59.240 -4.540 1
1 554 . 4 1 1 A 58 58 ASN CB C 56 40.100 29.310 10.790 1
1 555 . 4 1 1 A 58 58 ASN N N 56 115.000 121.318 -6.318 1
1 557 . 4 1 1 A 59 59 TRP H H 57 8.120 8.088 0.032 1
1 562 . 4 1 1 A 59 59 TRP CA C 57 57.800 58.299 -0.499 1
1 563 . 4 1 1 A 59 59 TRP CB C 57 29.800 32.323 -2.523 1
1 564 . 4 1 1 A 59 59 TRP N N 57 121.400 118.603 2.797 1
1 566 . 4 1 1 A 64 64 PRO HA H 62 4.410 4.998 -0.588 1
1 571 . 4 1 1 A 64 64 PRO C C 62 176.200 175.478 0.722 1
1 572 . 4 1 1 A 64 64 PRO CA C 62 63.300 53.386 9.914 1
1 573 . 4 1 1 A 64 64 PRO CB C 62 32.100 44.727 -12.627 1
1 576 . 4 1 1 A 65 65 LYS H H 63 8.030 8.375 -0.345 1
1 577 . 4 1 1 A 65 65 LYS HA H 63 4.130 4.618 -0.488 1
1 580 . 4 1 1 A 65 65 LYS CA C 63 57.700 54.758 2.942 1
1 581 . 4 1 1 A 65 65 LYS CB C 63 33.600 30.337 3.263 1
1 3 . 5 1 1 A 4 4 MET H H 2 8.430 8.437 -0.007 1
1 7 . 5 1 1 A 4 4 MET C C 2 176.000 173.939 2.061 1
1 8 . 5 1 1 A 4 4 MET CA C 2 55.400 59.461 -4.061 1
1 9 . 5 1 1 A 4 4 MET CB C 2 32.900 63.226 -30.326 1
1 11 . 5 1 1 A 4 4 MET N N 2 120.500 116.001 4.499 1
1 12 . 5 1 1 A 5 5 SER H H 3 8.400 8.670 -0.270 1
1 13 . 5 1 1 A 5 5 SER HA H 3 4.500 4.500 0.000 1
1 16 . 5 1 1 A 5 5 SER C C 3 174.700 175.658 -0.958 1
1 17 . 5 1 1 A 5 5 SER CA C 3 58.400 55.956 2.444 1
1 18 . 5 1 1 A 5 5 SER CB C 3 63.800 30.365 33.435 1
1 19 . 5 1 1 A 5 5 SER N N 3 117.300 126.269 -8.969 1
1 20 . 5 1 1 A 6 6 THR H H 4 8.210 8.824 -0.614 1
1 21 . 5 1 1 A 6 6 THR HA H 4 4.330 3.989 0.341 1
1 26 . 5 1 1 A 6 6 THR C C 4 174.000 174.742 -0.742 1
1 27 . 5 1 1 A 6 6 THR CA C 4 61.900 56.223 5.677 1
1 28 . 5 1 1 A 6 6 THR CB C 4 69.900 31.128 38.772 1
1 30 . 5 1 1 A 6 6 THR N N 4 115.400 119.659 -4.259 1
1 31 . 5 1 1 A 7 7 ASN H H 5 8.440 7.964 0.476 1
1 32 . 5 1 1 A 7 7 ASN HA H 5 4.950 5.066 -0.116 1
1 37 . 5 1 1 A 7 7 ASN CA C 5 50.900 56.719 -5.819 1
1 38 . 5 1 1 A 7 7 ASN CB C 5 39.000 65.086 -26.086 1
1 39 . 5 1 1 A 7 7 ASN N N 5 121.600 114.051 7.549 1
1 41 . 5 1 1 A 8 8 PRO HA H 6 4.310 5.137 -0.827 1
1 48 . 5 1 1 A 8 8 PRO C C 6 177.100 173.678 3.422 1
1 49 . 5 1 1 A 8 8 PRO CA C 6 64.000 60.487 3.513 1
1 50 . 5 1 1 A 8 8 PRO CB C 6 32.100 70.210 -38.110 1
1 53 . 5 1 1 A 9 9 PHE H H 7 8.020 8.923 -0.903 1
1 54 . 5 1 1 A 9 9 PHE HA H 7 4.480 4.766 -0.286 1
1 59 . 5 1 1 A 9 9 PHE CA C 7 58.300 50.401 7.899 1
1 60 . 5 1 1 A 9 9 PHE CB C 7 38.800 37.829 0.971 1
1 63 . 5 1 1 A 9 9 PHE N N 7 117.200 123.975 -6.775 1
1 64 . 5 1 1 A 12 12 ASP C C 10 176.700 175.013 1.687 1
1 65 . 5 1 1 A 12 12 ASP CA C 10 54.800 53.465 1.335 1
1 66 . 5 1 1 A 12 12 ASP CB C 10 41.000 41.888 -0.888 1
1 67 . 5 1 1 A 13 13 ASN H H 11 8.490 7.670 0.820 1
1 70 . 5 1 1 A 13 13 ASN C C 11 175.700 174.376 1.324 1
1 71 . 5 1 1 A 13 13 ASN CA C 11 53.400 53.205 0.195 1
1 72 . 5 1 1 A 13 13 ASN CB C 11 39.200 43.853 -4.653 1
1 73 . 5 1 1 A 13 13 ASN N N 11 118.500 120.910 -2.410 1
1 75 . 5 1 1 A 14 14 GLY H H 12 8.200 8.357 -0.157 1
1 78 . 5 1 1 A 14 14 GLY C C 12 172.200 175.734 -3.534 1
1 79 . 5 1 1 A 14 14 GLY CA C 12 45.200 52.874 -7.674 1
1 80 . 5 1 1 A 14 14 GLY N N 12 108.500 124.515 -16.015 1
1 81 . 5 1 1 A 15 15 ALA H H 13 7.670 8.833 -1.163 1
1 82 . 5 1 1 A 15 15 ALA HA H 13 4.600 4.401 0.199 1
1 86 . 5 1 1 A 15 15 ALA C C 13 176.500 175.986 0.514 1
1 87 . 5 1 1 A 15 15 ALA CA C 13 51.400 54.410 -3.010 1
1 88 . 5 1 1 A 15 15 ALA CB C 13 21.000 38.902 -17.902 1
1 89 . 5 1 1 A 15 15 ALA N N 13 122.600 121.283 1.317 1
1 90 . 5 1 1 A 16 16 PHE H H 14 9.350 8.318 1.032 1
1 98 . 5 1 1 A 16 16 PHE C C 14 174.300 174.632 -0.332 1
1 99 . 5 1 1 A 16 16 PHE CA C 14 57.600 46.707 10.893 1
1 105 . 5 1 1 A 16 16 PHE N N 14 120.000 107.190 12.810 1
1 106 . 5 1 1 A 17 17 PHE H H 15 9.550 8.100 1.450 1
1 107 . 5 1 1 A 17 17 PHE HA H 15 5.600 3.860 1.740 1
1 112 . 5 1 1 A 17 17 PHE C C 15 177.700 177.615 0.085 1
1 113 . 5 1 1 A 17 17 PHE CA C 15 55.900 52.238 3.662 1
1 114 . 5 1 1 A 17 17 PHE CB C 15 44.100 19.081 25.019 1
1 117 . 5 1 1 A 17 17 PHE N N 15 115.700 123.016 -7.316 1
1 118 . 5 1 1 A 18 18 VAL H H 16 8.670 7.708 0.962 1
1 119 . 5 1 1 A 18 18 VAL HA H 16 4.220 5.483 -1.263 1
1 127 . 5 1 1 A 18 18 VAL C C 16 175.200 174.854 0.346 1
1 128 . 5 1 1 A 18 18 VAL CA C 16 62.700 55.487 7.213 1
1 129 . 5 1 1 A 18 18 VAL CB C 16 32.700 41.575 -8.875 1
1 132 . 5 1 1 A 18 18 VAL N N 16 117.200 121.851 -4.651 1
1 133 . 5 1 1 A 19 19 LEU H H 17 9.500 9.737 -0.237 1
1 134 . 5 1 1 A 19 19 LEU HA H 17 5.730 5.305 0.425 1
1 144 . 5 1 1 A 19 19 LEU C C 17 176.700 175.738 0.962 1
1 145 . 5 1 1 A 19 19 LEU CA C 17 52.100 56.694 -4.594 1
1 146 . 5 1 1 A 19 19 LEU CB C 17 46.800 42.242 4.558 1
1 150 . 5 1 1 A 19 19 LEU N N 17 127.100 119.003 8.097 1
1 151 . 5 1 1 A 20 20 VAL H H 18 9.170 9.078 0.092 1
1 152 . 5 1 1 A 20 20 VAL HA H 18 5.710 4.433 1.277 1
1 160 . 5 1 1 A 20 20 VAL C C 18 174.800 174.878 -0.078 1
1 161 . 5 1 1 A 20 20 VAL CA C 18 59.300 63.049 -3.749 1
1 162 . 5 1 1 A 20 20 VAL CB C 18 36.700 31.130 5.570 1
1 165 . 5 1 1 A 20 20 VAL N N 18 115.900 122.802 -6.902 1
1 166 . 5 1 1 A 21 21 ASN H H 19 7.320 9.322 -2.002 1
1 167 . 5 1 1 A 21 21 ASN HA H 19 4.720 5.391 -0.671 1
1 170 . 5 1 1 A 21 21 ASN C C 19 177.700 174.973 2.727 1
1 171 . 5 1 1 A 21 21 ASN CA C 19 49.700 53.616 -3.916 1
1 172 . 5 1 1 A 21 21 ASN CB C 19 37.500 44.898 -7.398 1
1 173 . 5 1 1 A 21 21 ASN N N 19 122.600 130.139 -7.539 1
1 174 . 5 1 1 A 22 22 ASP H H 20 8.240 9.643 -1.403 1
1 175 . 5 1 1 A 22 22 ASP HA H 20 4.400 4.610 -0.210 1
1 178 . 5 1 1 A 22 22 ASP C C 20 176.600 175.437 1.163 1
1 179 . 5 1 1 A 22 22 ASP CA C 20 56.400 61.181 -4.781 1
1 180 . 5 1 1 A 22 22 ASP CB C 20 40.100 34.003 6.097 1
1 181 . 5 1 1 A 22 22 ASP N N 20 117.500 127.735 -10.235 1
1 182 . 5 1 1 A 23 23 GLU H H 21 7.220 8.924 -1.704 1
1 183 . 5 1 1 A 23 23 GLU HA H 21 4.380 5.083 -0.703 1
1 188 . 5 1 1 A 23 23 GLU C C 21 175.500 176.538 -1.038 1
1 189 . 5 1 1 A 23 23 GLU CA C 21 55.600 51.971 3.629 1
1 190 . 5 1 1 A 23 23 GLU CB C 21 29.500 40.165 -10.665 1
1 192 . 5 1 1 A 23 23 GLU N N 21 118.100 124.227 -6.127 1
1 193 . 5 1 1 A 24 24 ASP H H 22 8.030 8.870 -0.840 1
1 194 . 5 1 1 A 24 24 ASP HA H 22 4.280 4.331 -0.051 1
1 197 . 5 1 1 A 24 24 ASP CA C 22 56.200 57.178 -0.978 1
1 198 . 5 1 1 A 24 24 ASP CB C 22 40.000 41.364 -1.364 1
1 199 . 5 1 1 A 24 24 ASP N N 22 115.700 121.806 -6.106 1
1 200 . 5 1 1 A 25 25 GLN H H 23 7.710 7.951 -0.241 1
1 201 . 5 1 1 A 25 25 GLN HA H 23 4.270 4.541 -0.271 1
1 206 . 5 1 1 A 25 25 GLN C C 23 175.300 174.674 0.626 1
1 207 . 5 1 1 A 25 25 GLN CA C 23 55.200 55.715 -0.515 1
1 208 . 5 1 1 A 25 25 GLN CB C 23 29.400 30.157 -0.757 1
1 209 . 5 1 1 A 25 25 GLN N N 23 116.800 115.793 1.007 1
1 210 . 5 1 1 A 26 26 HIS H H 24 8.870 7.711 1.159 1
1 211 . 5 1 1 A 26 26 HIS HA H 24 6.030 4.912 1.118 1
1 214 . 5 1 1 A 26 26 HIS CA C 24 54.400 52.761 1.639 1
1 215 . 5 1 1 A 26 26 HIS CB C 24 32.700 42.578 -9.878 1
1 216 . 5 1 1 A 26 26 HIS N N 24 113.400 121.766 -8.366 1
1 219 . 5 1 1 A 27 27 SER CB C 25 66.800 30.013 36.787 1
1 220 . 5 1 1 A 28 28 LEU HA H 26 5.430 4.926 0.504 1
1 230 . 5 1 1 A 28 28 LEU CA C 26 56.100 54.757 1.343 1
1 231 . 5 1 1 A 28 28 LEU CB C 26 43.600 31.585 12.015 1
1 235 . 5 1 1 A 29 29 TRP HA H 27 5.320 4.903 0.417 1
1 242 . 5 1 1 A 29 29 TRP CA C 27 54.100 57.613 -3.513 1
1 243 . 5 1 1 A 29 29 TRP CB C 27 36.000 65.906 -29.906 1
1 248 . 5 1 1 A 30 30 PRO C C 28 177.500 175.352 2.148 1
1 249 . 5 1 1 A 30 30 PRO CA C 28 62.400 54.290 8.110 1
1 250 . 5 1 1 A 30 30 PRO CB C 28 31.700 41.070 -9.370 1
1 253 . 5 1 1 A 31 31 VAL H H 29 7.000 9.209 -2.209 1
1 254 . 5 1 1 A 31 31 VAL HA H 29 3.710 5.384 -1.674 1
1 262 . 5 1 1 A 31 31 VAL CA C 29 63.600 54.989 8.611 1
1 263 . 5 1 1 A 31 31 VAL CB C 29 31.200 31.682 -0.482 1
1 266 . 5 1 1 A 31 31 VAL N N 29 114.100 128.045 -13.945 1
1 270 . 5 1 1 A 33 33 ALA C C 31 177.500 177.361 0.139 1
1 271 . 5 1 1 A 33 33 ALA CA C 31 50.900 63.769 -12.869 1
1 272 . 5 1 1 A 33 33 ALA CB C 31 20.200 31.350 -11.150 1
1 273 . 5 1 1 A 34 34 ASP H H 32 8.830 7.791 1.039 1
1 274 . 5 1 1 A 34 34 ASP HA H 32 4.500 4.112 0.388 1
1 277 . 5 1 1 A 34 34 ASP C C 32 176.900 174.596 2.304 1
1 278 . 5 1 1 A 34 34 ASP CA C 32 55.200 59.885 -4.685 1
1 279 . 5 1 1 A 34 34 ASP CB C 32 40.400 39.823 0.577 1
1 280 . 5 1 1 A 34 34 ASP N N 32 124.600 121.283 3.317 1
1 281 . 5 1 1 A 35 35 ILE H H 33 8.590 7.308 1.282 1
1 282 . 5 1 1 A 35 35 ILE HA H 33 3.610 4.550 -0.940 1
1 292 . 5 1 1 A 35 35 ILE C C 33 176.100 176.095 0.005 1
1 293 . 5 1 1 A 35 35 ILE CA C 33 58.600 49.928 8.672 1
1 294 . 5 1 1 A 35 35 ILE CB C 33 37.600 21.998 15.602 1
1 298 . 5 1 1 A 35 35 ILE N N 33 125.200 119.450 5.750 1
1 299 . 5 1 1 A 36 36 PRO HA H 34 4.290 4.652 -0.362 1
1 306 . 5 1 1 A 36 36 PRO C C 34 179.400 176.100 3.300 1
1 307 . 5 1 1 A 36 36 PRO CA C 34 62.600 54.274 8.326 1
1 308 . 5 1 1 A 36 36 PRO CB C 34 31.600 41.382 -9.782 1
1 311 . 5 1 1 A 37 37 ALA H H 35 8.300 8.606 -0.306 1
1 312 . 5 1 1 A 37 37 ALA HA H 35 4.190 4.502 -0.312 1
1 316 . 5 1 1 A 37 37 ALA CA C 35 53.600 57.556 -3.956 1
1 317 . 5 1 1 A 37 37 ALA CB C 35 18.400 38.075 -19.675 1
1 318 . 5 1 1 A 37 37 ALA N N 35 123.600 126.121 -2.521 1
1 322 . 5 1 1 A 38 38 GLY C C 36 174.000 176.003 -2.003 1
1 323 . 5 1 1 A 38 38 GLY CA C 36 45.000 62.217 -17.217 1
1 324 . 5 1 1 A 38 38 GLY N N 36 110.200 143.614 -33.414 1
1 325 . 5 1 1 A 39 39 TRP H H 37 7.700 8.340 -0.640 1
1 326 . 5 1 1 A 39 39 TRP HA H 37 4.900 5.015 -0.115 1
1 331 . 5 1 1 A 39 39 TRP C C 37 175.000 177.877 -2.877 1
1 332 . 5 1 1 A 39 39 TRP CA C 37 56.000 51.366 4.634 1
1 333 . 5 1 1 A 39 39 TRP CB C 37 31.800 20.972 10.828 1
1 335 . 5 1 1 A 39 39 TRP N N 37 120.800 122.168 -1.368 1
1 337 . 5 1 1 A 40 40 ARG H H 38 9.050 8.671 0.379 1
1 344 . 5 1 1 A 40 40 ARG C C 38 174.900 173.903 0.997 1
1 345 . 5 1 1 A 40 40 ARG CA C 38 54.000 46.309 7.691 1
1 349 . 5 1 1 A 40 40 ARG N N 38 118.200 108.411 9.789 1
1 350 . 5 1 1 A 41 41 VAL H H 39 8.660 7.362 1.298 1
1 351 . 5 1 1 A 41 41 VAL HA H 39 4.040 5.102 -1.062 1
1 359 . 5 1 1 A 41 41 VAL C C 39 178.000 174.690 3.310 1
1 360 . 5 1 1 A 41 41 VAL CA C 39 63.800 54.952 8.848 1
1 361 . 5 1 1 A 41 41 VAL CB C 39 32.400 32.972 -0.572 1
1 364 . 5 1 1 A 41 41 VAL N N 39 122.700 119.035 3.665 1
1 365 . 5 1 1 A 42 42 VAL H H 40 9.090 8.857 0.233 1
1 366 . 5 1 1 A 42 42 VAL HA H 40 4.740 4.908 -0.168 1
1 374 . 5 1 1 A 42 42 VAL C C 40 174.800 174.529 0.271 1
1 375 . 5 1 1 A 42 42 VAL CA C 40 61.000 55.028 5.972 1
1 376 . 5 1 1 A 42 42 VAL CB C 40 34.100 34.236 -0.136 1
1 379 . 5 1 1 A 42 42 VAL N N 40 119.800 120.683 -0.883 1
1 380 . 5 1 1 A 43 43 HIS H H 41 7.700 9.265 -1.565 1
1 381 . 5 1 1 A 43 43 HIS HA H 41 4.530 4.531 -0.001 1
1 384 . 5 1 1 A 43 43 HIS C C 41 173.400 175.511 -2.111 1
1 385 . 5 1 1 A 43 43 HIS CA C 41 57.500 63.142 -5.642 1
1 386 . 5 1 1 A 43 43 HIS CB C 41 32.800 31.796 1.004 1
1 387 . 5 1 1 A 43 43 HIS N N 41 119.700 128.010 -8.310 1
1 388 . 5 1 1 A 44 44 GLY H H 42 7.590 9.086 -1.496 1
1 391 . 5 1 1 A 44 44 GLY C C 42 174.600 175.991 -1.391 1
1 392 . 5 1 1 A 44 44 GLY CA C 42 42.400 63.945 -21.545 1
1 393 . 5 1 1 A 44 44 GLY N N 42 112.000 128.752 -16.752 1
1 394 . 5 1 1 A 45 45 GLU H H 43 8.700 7.662 1.038 1
1 395 . 5 1 1 A 45 45 GLU HA H 43 4.120 4.710 -0.590 1
1 400 . 5 1 1 A 45 45 GLU C C 43 175.200 173.127 2.073 1
1 401 . 5 1 1 A 45 45 GLU CA C 43 56.900 55.658 1.242 1
1 402 . 5 1 1 A 45 45 GLU CB C 43 30.900 32.511 -1.611 1
1 404 . 5 1 1 A 45 45 GLU N N 43 121.700 116.887 4.813 1
1 405 . 5 1 1 A 46 46 ALA H H 44 9.400 8.045 1.355 1
1 409 . 5 1 1 A 46 46 ALA C C 44 175.100 172.757 2.343 1
1 410 . 5 1 1 A 46 46 ALA CA C 44 51.100 43.513 7.587 1
1 412 . 5 1 1 A 46 46 ALA N N 44 127.000 112.187 14.813 1
1 413 . 5 1 1 A 47 47 SER H H 45 8.710 7.697 1.013 1
1 414 . 5 1 1 A 47 47 SER HA H 45 4.730 4.978 -0.248 1
1 417 . 5 1 1 A 47 47 SER C C 45 175.000 176.437 -1.437 1
1 418 . 5 1 1 A 47 47 SER CA C 45 57.900 56.112 1.788 1
1 419 . 5 1 1 A 47 47 SER CB C 45 64.900 29.203 35.697 1
1 420 . 5 1 1 A 47 47 SER N N 45 115.300 117.635 -2.335 1
1 421 . 5 1 1 A 48 48 ARG H H 46 9.520 8.378 1.142 1
1 422 . 5 1 1 A 48 48 ARG HA H 46 3.390 5.000 -1.610 1
1 429 . 5 1 1 A 48 48 ARG C C 46 178.300 176.819 1.481 1
1 430 . 5 1 1 A 48 48 ARG CA C 46 61.000 50.556 10.444 1
1 431 . 5 1 1 A 48 48 ARG CB C 46 30.100 23.192 6.908 1
1 434 . 5 1 1 A 48 48 ARG N N 46 123.400 126.597 -3.197 1
1 435 . 5 1 1 A 49 49 ALA H H 47 8.620 8.539 0.081 1
1 436 . 5 1 1 A 49 49 ALA HA H 47 3.970 4.572 -0.602 1
1 440 . 5 1 1 A 49 49 ALA C C 47 180.500 174.621 5.879 1
1 441 . 5 1 1 A 49 49 ALA CA C 47 55.400 60.268 -4.868 1
1 442 . 5 1 1 A 49 49 ALA CB C 47 18.200 63.800 -45.600 1
1 443 . 5 1 1 A 49 49 ALA N N 47 118.800 114.912 3.888 1
1 444 . 5 1 1 A 50 50 ALA H H 48 8.130 8.797 -0.667 1
1 445 . 5 1 1 A 50 50 ALA HA H 48 4.260 3.584 0.676 1
1 449 . 5 1 1 A 50 50 ALA C C 48 182.500 177.809 4.691 1
1 450 . 5 1 1 A 50 50 ALA CA C 48 54.900 59.465 -4.565 1
1 451 . 5 1 1 A 50 50 ALA CB C 48 19.100 29.068 -9.968 1
1 452 . 5 1 1 A 50 50 ALA N N 48 122.100 125.942 -3.842 1
1 453 . 5 1 1 A 51 51 CYS H H 49 8.530 7.887 0.643 1
1 454 . 5 1 1 A 51 51 CYS HA H 49 4.070 4.082 -0.012 1
1 457 . 5 1 1 A 51 51 CYS C C 49 176.800 180.264 -3.464 1
1 458 . 5 1 1 A 51 51 CYS CA C 49 65.000 54.950 10.050 1
1 459 . 5 1 1 A 51 51 CYS CB C 49 27.100 18.177 8.923 1
1 460 . 5 1 1 A 51 51 CYS N N 49 119.000 119.914 -0.914 1
1 461 . 5 1 1 A 52 52 LEU H H 50 8.660 8.075 0.585 1
1 462 . 5 1 1 A 52 52 LEU HA H 50 3.990 4.091 -0.101 1
1 472 . 5 1 1 A 52 52 LEU C C 50 179.800 179.511 0.289 1
1 473 . 5 1 1 A 52 52 LEU CA C 50 58.200 55.017 3.183 1
1 474 . 5 1 1 A 52 52 LEU CB C 50 41.000 18.194 22.806 1
1 478 . 5 1 1 A 52 52 LEU N N 50 121.100 119.895 1.205 1
1 479 . 5 1 1 A 53 53 ASP H H 51 8.020 8.216 -0.196 1
1 480 . 5 1 1 A 53 53 ASP HA H 51 4.370 4.060 0.310 1
1 483 . 5 1 1 A 53 53 ASP C C 51 177.500 177.281 0.219 1
1 484 . 5 1 1 A 53 53 ASP CA C 51 57.500 63.769 -6.269 1
1 485 . 5 1 1 A 53 53 ASP CB C 51 41.500 27.163 14.337 1
1 486 . 5 1 1 A 53 53 ASP N N 51 120.300 116.122 4.178 1
1 487 . 5 1 1 A 54 54 TYR H H 52 7.760 8.498 -0.738 1
1 488 . 5 1 1 A 54 54 TYR HA H 52 3.770 4.020 -0.250 1
1 495 . 5 1 1 A 54 54 TYR C C 52 179.000 178.571 0.429 1
1 496 . 5 1 1 A 54 54 TYR CA C 52 62.300 58.242 4.058 1
1 497 . 5 1 1 A 54 54 TYR CB C 52 37.700 41.897 -4.197 1
1 502 . 5 1 1 A 54 54 TYR N N 52 119.700 120.476 -0.776 1
1 503 . 5 1 1 A 55 55 VAL H H 53 8.250 8.511 -0.261 1
1 504 . 5 1 1 A 55 55 VAL HA H 53 3.580 4.277 -0.697 1
1 512 . 5 1 1 A 55 55 VAL C C 53 177.700 177.688 0.012 1
1 513 . 5 1 1 A 55 55 VAL CA C 53 66.800 57.275 9.525 1
1 514 . 5 1 1 A 55 55 VAL CB C 53 31.900 41.986 -10.086 1
1 517 . 5 1 1 A 55 55 VAL N N 53 120.200 119.062 1.138 1
1 518 . 5 1 1 A 56 56 GLU H H 54 8.170 8.426 -0.256 1
1 519 . 5 1 1 A 56 56 GLU HA H 54 4.010 4.150 -0.140 1
1 524 . 5 1 1 A 56 56 GLU C C 54 178.700 177.948 0.752 1
1 525 . 5 1 1 A 56 56 GLU CA C 54 59.200 61.357 -2.157 1
1 526 . 5 1 1 A 56 56 GLU CB C 54 29.600 38.873 -9.273 1
1 528 . 5 1 1 A 56 56 GLU N N 54 119.600 120.870 -1.270 1
1 529 . 5 1 1 A 57 57 LYS H H 55 7.800 8.077 -0.277 1
1 530 . 5 1 1 A 57 57 LYS HA H 55 4.040 3.650 0.390 1
1 539 . 5 1 1 A 57 57 LYS C C 55 177.900 178.138 -0.238 1
1 540 . 5 1 1 A 57 57 LYS CA C 55 57.900 66.130 -8.230 1
1 541 . 5 1 1 A 57 57 LYS CB C 55 33.300 31.477 1.823 1
1 545 . 5 1 1 A 57 57 LYS N N 55 115.700 118.824 -3.124 1
1 546 . 5 1 1 A 58 58 ASN H H 56 7.570 8.603 -1.033 1
1 547 . 5 1 1 A 58 58 ASN HA H 56 4.490 3.936 0.554 1
1 552 . 5 1 1 A 58 58 ASN C C 56 174.300 178.574 -4.274 1
1 553 . 5 1 1 A 58 58 ASN CA C 56 54.700 59.014 -4.314 1
1 554 . 5 1 1 A 58 58 ASN CB C 56 40.100 29.172 10.928 1
1 555 . 5 1 1 A 58 58 ASN N N 56 115.000 121.174 -6.174 1
1 557 . 5 1 1 A 59 59 TRP H H 57 8.120 8.039 0.081 1
1 562 . 5 1 1 A 59 59 TRP CA C 57 57.800 57.984 -0.184 1
1 563 . 5 1 1 A 59 59 TRP CB C 57 29.800 32.167 -2.367 1
1 564 . 5 1 1 A 59 59 TRP N N 57 121.400 119.227 2.173 1
1 566 . 5 1 1 A 64 64 PRO HA H 62 4.410 4.422 -0.012 1
1 571 . 5 1 1 A 64 64 PRO C C 62 176.200 176.975 -0.775 1
1 572 . 5 1 1 A 64 64 PRO CA C 62 63.300 55.551 7.749 1
1 573 . 5 1 1 A 64 64 PRO CB C 62 32.100 43.624 -11.524 1
1 576 . 5 1 1 A 65 65 LYS H H 63 8.030 7.786 0.244 1
1 577 . 5 1 1 A 65 65 LYS HA H 63 4.130 4.512 -0.382 1
1 580 . 5 1 1 A 65 65 LYS CA C 63 57.700 54.064 3.636 1
1 581 . 5 1 1 A 65 65 LYS CB C 63 33.600 31.178 2.422 1
1 3 . 6 1 1 A 4 4 MET H H 2 8.430 8.498 -0.068 1
1 7 . 6 1 1 A 4 4 MET C C 2 176.000 173.904 2.096 1
1 8 . 6 1 1 A 4 4 MET CA C 2 55.400 59.072 -3.672 1
1 9 . 6 1 1 A 4 4 MET CB C 2 32.900 63.160 -30.260 1
1 11 . 6 1 1 A 4 4 MET N N 2 120.500 116.532 3.968 1
1 12 . 6 1 1 A 5 5 SER H H 3 8.400 8.596 -0.196 1
1 13 . 6 1 1 A 5 5 SER HA H 3 4.500 4.831 -0.331 1
1 16 . 6 1 1 A 5 5 SER C C 3 174.700 175.140 -0.440 1
1 17 . 6 1 1 A 5 5 SER CA C 3 58.400 56.633 1.767 1
1 18 . 6 1 1 A 5 5 SER CB C 3 63.800 31.011 32.789 1
1 19 . 6 1 1 A 5 5 SER N N 3 117.300 126.452 -9.152 1
1 20 . 6 1 1 A 6 6 THR H H 4 8.210 8.862 -0.652 1
1 21 . 6 1 1 A 6 6 THR HA H 4 4.330 5.396 -1.066 1
1 26 . 6 1 1 A 6 6 THR C C 4 174.000 175.218 -1.218 1
1 27 . 6 1 1 A 6 6 THR CA C 4 61.900 53.268 8.632 1
1 28 . 6 1 1 A 6 6 THR CB C 4 69.900 35.566 34.334 1
1 30 . 6 1 1 A 6 6 THR N N 4 115.400 119.946 -4.546 1
1 31 . 6 1 1 A 7 7 ASN H H 5 8.440 8.905 -0.465 1
1 32 . 6 1 1 A 7 7 ASN HA H 5 4.950 5.036 -0.086 1
1 37 . 6 1 1 A 7 7 ASN CA C 5 50.900 57.344 -6.444 1
1 38 . 6 1 1 A 7 7 ASN CB C 5 39.000 64.058 -25.058 1
1 39 . 6 1 1 A 7 7 ASN N N 5 121.600 118.156 3.444 1
1 41 . 6 1 1 A 8 8 PRO HA H 6 4.310 4.402 -0.092 1
1 48 . 6 1 1 A 8 8 PRO C C 6 177.100 174.076 3.024 1
1 49 . 6 1 1 A 8 8 PRO CA C 6 64.000 63.341 0.659 1
1 50 . 6 1 1 A 8 8 PRO CB C 6 32.100 68.142 -36.042 1
1 53 . 6 1 1 A 9 9 PHE H H 7 8.020 8.580 -0.560 1
1 54 . 6 1 1 A 9 9 PHE HA H 7 4.480 5.062 -0.582 1
1 59 . 6 1 1 A 9 9 PHE CA C 7 58.300 49.360 8.940 1
1 60 . 6 1 1 A 9 9 PHE CB C 7 38.800 39.101 -0.301 1
1 63 . 6 1 1 A 9 9 PHE N N 7 117.200 126.669 -9.469 1
1 64 . 6 1 1 A 12 12 ASP C C 10 176.700 174.312 2.388 1
1 65 . 6 1 1 A 12 12 ASP CA C 10 54.800 52.637 2.163 1
1 66 . 6 1 1 A 12 12 ASP CB C 10 41.000 42.534 -1.534 1
1 67 . 6 1 1 A 13 13 ASN H H 11 8.490 8.810 -0.320 1
1 70 . 6 1 1 A 13 13 ASN C C 11 175.700 173.909 1.791 1
1 71 . 6 1 1 A 13 13 ASN CA C 11 53.400 51.924 1.476 1
1 72 . 6 1 1 A 13 13 ASN CB C 11 39.200 43.379 -4.179 1
1 73 . 6 1 1 A 13 13 ASN N N 11 118.500 123.414 -4.914 1
1 75 . 6 1 1 A 14 14 GLY H H 12 8.200 8.467 -0.267 1
1 78 . 6 1 1 A 14 14 GLY C C 12 172.200 176.245 -4.045 1
1 79 . 6 1 1 A 14 14 GLY CA C 12 45.200 53.644 -8.444 1
1 80 . 6 1 1 A 14 14 GLY N N 12 108.500 120.679 -12.179 1
1 81 . 6 1 1 A 15 15 ALA H H 13 7.670 8.755 -1.085 1
1 82 . 6 1 1 A 15 15 ALA HA H 13 4.600 4.974 -0.374 1
1 86 . 6 1 1 A 15 15 ALA C C 13 176.500 176.122 0.378 1
1 87 . 6 1 1 A 15 15 ALA CA C 13 51.400 52.513 -1.113 1
1 88 . 6 1 1 A 15 15 ALA CB C 13 21.000 40.168 -19.168 1
1 89 . 6 1 1 A 15 15 ALA N N 13 122.600 121.572 1.028 1
1 90 . 6 1 1 A 16 16 PHE H H 14 9.350 8.416 0.934 1
1 98 . 6 1 1 A 16 16 PHE C C 14 174.300 172.874 1.426 1
1 99 . 6 1 1 A 16 16 PHE CA C 14 57.600 44.254 13.346 1
1 105 . 6 1 1 A 16 16 PHE N N 14 120.000 108.589 11.411 1
1 106 . 6 1 1 A 17 17 PHE H H 15 9.550 8.149 1.401 1
1 107 . 6 1 1 A 17 17 PHE HA H 15 5.600 3.879 1.721 1
1 112 . 6 1 1 A 17 17 PHE C C 15 177.700 177.287 0.413 1
1 113 . 6 1 1 A 17 17 PHE CA C 15 55.900 51.971 3.929 1
1 114 . 6 1 1 A 17 17 PHE CB C 15 44.100 19.529 24.571 1
1 117 . 6 1 1 A 17 17 PHE N N 15 115.700 121.286 -5.586 1
1 118 . 6 1 1 A 18 18 VAL H H 16 8.670 8.079 0.591 1
1 119 . 6 1 1 A 18 18 VAL HA H 16 4.220 5.833 -1.613 1
1 127 . 6 1 1 A 18 18 VAL C C 16 175.200 173.519 1.681 1
1 128 . 6 1 1 A 18 18 VAL CA C 16 62.700 55.410 7.290 1
1 129 . 6 1 1 A 18 18 VAL CB C 16 32.700 42.673 -9.973 1
1 132 . 6 1 1 A 18 18 VAL N N 16 117.200 116.569 0.631 1
1 133 . 6 1 1 A 19 19 LEU H H 17 9.500 9.800 -0.300 1
1 134 . 6 1 1 A 19 19 LEU HA H 17 5.730 5.582 0.148 1
1 144 . 6 1 1 A 19 19 LEU C C 17 176.700 175.598 1.102 1
1 145 . 6 1 1 A 19 19 LEU CA C 17 52.100 56.568 -4.468 1
1 146 . 6 1 1 A 19 19 LEU CB C 17 46.800 42.608 4.192 1
1 150 . 6 1 1 A 19 19 LEU N N 17 127.100 118.716 8.384 1
1 151 . 6 1 1 A 20 20 VAL H H 18 9.170 8.860 0.310 1
1 152 . 6 1 1 A 20 20 VAL HA H 18 5.710 4.407 1.303 1
1 160 . 6 1 1 A 20 20 VAL C C 18 174.800 174.791 0.009 1
1 161 . 6 1 1 A 20 20 VAL CA C 18 59.300 63.031 -3.731 1
1 162 . 6 1 1 A 20 20 VAL CB C 18 36.700 31.068 5.632 1
1 165 . 6 1 1 A 20 20 VAL N N 18 115.900 122.380 -6.480 1
1 166 . 6 1 1 A 21 21 ASN H H 19 7.320 9.210 -1.890 1
1 167 . 6 1 1 A 21 21 ASN HA H 19 4.720 5.385 -0.665 1
1 170 . 6 1 1 A 21 21 ASN C C 19 177.700 174.919 2.781 1
1 171 . 6 1 1 A 21 21 ASN CA C 19 49.700 53.480 -3.780 1
1 172 . 6 1 1 A 21 21 ASN CB C 19 37.500 45.259 -7.759 1
1 173 . 6 1 1 A 21 21 ASN N N 19 122.600 130.136 -7.536 1
1 174 . 6 1 1 A 22 22 ASP H H 20 8.240 9.641 -1.401 1
1 175 . 6 1 1 A 22 22 ASP HA H 20 4.400 4.740 -0.340 1
1 178 . 6 1 1 A 22 22 ASP C C 20 176.600 174.787 1.813 1
1 179 . 6 1 1 A 22 22 ASP CA C 20 56.400 60.881 -4.481 1
1 180 . 6 1 1 A 22 22 ASP CB C 20 40.100 34.531 5.569 1
1 181 . 6 1 1 A 22 22 ASP N N 20 117.500 127.476 -9.976 1
1 182 . 6 1 1 A 23 23 GLU H H 21 7.220 8.840 -1.620 1
1 183 . 6 1 1 A 23 23 GLU HA H 21 4.380 5.192 -0.812 1
1 188 . 6 1 1 A 23 23 GLU C C 21 175.500 176.571 -1.071 1
1 189 . 6 1 1 A 23 23 GLU CA C 21 55.600 52.675 2.925 1
1 190 . 6 1 1 A 23 23 GLU CB C 21 29.500 39.300 -9.800 1
1 192 . 6 1 1 A 23 23 GLU N N 21 118.100 124.864 -6.764 1
1 193 . 6 1 1 A 24 24 ASP H H 22 8.030 8.824 -0.794 1
1 194 . 6 1 1 A 24 24 ASP HA H 22 4.280 4.327 -0.047 1
1 197 . 6 1 1 A 24 24 ASP CA C 22 56.200 57.071 -0.871 1
1 198 . 6 1 1 A 24 24 ASP CB C 22 40.000 40.529 -0.529 1
1 199 . 6 1 1 A 24 24 ASP N N 22 115.700 123.080 -7.380 1
1 200 . 6 1 1 A 25 25 GLN H H 23 7.710 7.839 -0.129 1
1 201 . 6 1 1 A 25 25 GLN HA H 23 4.270 4.473 -0.203 1
1 206 . 6 1 1 A 25 25 GLN C C 23 175.300 174.699 0.601 1
1 207 . 6 1 1 A 25 25 GLN CA C 23 55.200 55.696 -0.496 1
1 208 . 6 1 1 A 25 25 GLN CB C 23 29.400 30.114 -0.714 1
1 209 . 6 1 1 A 25 25 GLN N N 23 116.800 115.947 0.853 1
1 210 . 6 1 1 A 26 26 HIS H H 24 8.870 7.489 1.381 1
1 211 . 6 1 1 A 26 26 HIS HA H 24 6.030 4.926 1.104 1
1 214 . 6 1 1 A 26 26 HIS CA C 24 54.400 52.798 1.602 1
1 215 . 6 1 1 A 26 26 HIS CB C 24 32.700 43.496 -10.796 1
1 216 . 6 1 1 A 26 26 HIS N N 24 113.400 120.591 -7.191 1
1 219 . 6 1 1 A 27 27 SER CB C 25 66.800 29.827 36.973 1
1 220 . 6 1 1 A 28 28 LEU HA H 26 5.430 4.963 0.467 1
1 230 . 6 1 1 A 28 28 LEU CA C 26 56.100 54.714 1.386 1
1 231 . 6 1 1 A 28 28 LEU CB C 26 43.600 31.598 12.002 1
1 235 . 6 1 1 A 29 29 TRP HA H 27 5.320 4.945 0.375 1
1 242 . 6 1 1 A 29 29 TRP CA C 27 54.100 57.485 -3.385 1
1 243 . 6 1 1 A 29 29 TRP CB C 27 36.000 66.405 -30.405 1
1 248 . 6 1 1 A 30 30 PRO C C 28 177.500 174.985 2.515 1
1 249 . 6 1 1 A 30 30 PRO CA C 28 62.400 53.754 8.646 1
1 250 . 6 1 1 A 30 30 PRO CB C 28 31.700 43.473 -11.773 1
1 253 . 6 1 1 A 31 31 VAL H H 29 7.000 8.890 -1.890 1
1 254 . 6 1 1 A 31 31 VAL HA H 29 3.710 5.502 -1.792 1
1 262 . 6 1 1 A 31 31 VAL CA C 29 63.600 54.386 9.214 1
1 263 . 6 1 1 A 31 31 VAL CB C 29 31.200 32.661 -1.461 1
1 266 . 6 1 1 A 31 31 VAL N N 29 114.100 127.946 -13.846 1
1 270 . 6 1 1 A 33 33 ALA C C 31 177.500 177.117 0.383 1
1 271 . 6 1 1 A 33 33 ALA CA C 31 50.900 63.213 -12.313 1
1 272 . 6 1 1 A 33 33 ALA CB C 31 20.200 31.468 -11.268 1
1 273 . 6 1 1 A 34 34 ASP H H 32 8.830 7.767 1.063 1
1 274 . 6 1 1 A 34 34 ASP HA H 32 4.500 4.105 0.395 1
1 277 . 6 1 1 A 34 34 ASP C C 32 176.900 174.735 2.165 1
1 278 . 6 1 1 A 34 34 ASP CA C 32 55.200 60.302 -5.102 1
1 279 . 6 1 1 A 34 34 ASP CB C 32 40.400 39.415 0.985 1
1 280 . 6 1 1 A 34 34 ASP N N 32 124.600 121.792 2.808 1
1 281 . 6 1 1 A 35 35 ILE H H 33 8.590 7.167 1.423 1
1 282 . 6 1 1 A 35 35 ILE HA H 33 3.610 4.367 -0.757 1
1 292 . 6 1 1 A 35 35 ILE C C 33 176.100 176.624 -0.524 1
1 293 . 6 1 1 A 35 35 ILE CA C 33 58.600 50.359 8.241 1
1 294 . 6 1 1 A 35 35 ILE CB C 33 37.600 21.074 16.526 1
1 298 . 6 1 1 A 35 35 ILE N N 33 125.200 118.855 6.345 1
1 299 . 6 1 1 A 36 36 PRO HA H 34 4.290 4.694 -0.404 1
1 306 . 6 1 1 A 36 36 PRO C C 34 179.400 176.531 2.869 1
1 307 . 6 1 1 A 36 36 PRO CA C 34 62.600 54.484 8.116 1
1 308 . 6 1 1 A 36 36 PRO CB C 34 31.600 41.434 -9.834 1
1 311 . 6 1 1 A 37 37 ALA H H 35 8.300 8.433 -0.133 1
1 312 . 6 1 1 A 37 37 ALA HA H 35 4.190 4.056 0.134 1
1 316 . 6 1 1 A 37 37 ALA CA C 35 53.600 59.548 -5.948 1
1 317 . 6 1 1 A 37 37 ALA CB C 35 18.400 37.756 -19.356 1
1 318 . 6 1 1 A 37 37 ALA N N 35 123.600 125.106 -1.506 1
1 322 . 6 1 1 A 38 38 GLY C C 36 174.000 175.518 -1.518 1
1 323 . 6 1 1 A 38 38 GLY CA C 36 45.000 65.159 -20.159 1
1 324 . 6 1 1 A 38 38 GLY N N 36 110.200 140.709 -30.509 1
1 325 . 6 1 1 A 39 39 TRP H H 37 7.700 8.046 -0.346 1
1 326 . 6 1 1 A 39 39 TRP HA H 37 4.900 4.857 0.043 1
1 331 . 6 1 1 A 39 39 TRP C C 37 175.000 176.717 -1.717 1
1 332 . 6 1 1 A 39 39 TRP CA C 37 56.000 51.475 4.525 1
1 333 . 6 1 1 A 39 39 TRP CB C 37 31.800 22.454 9.346 1
1 335 . 6 1 1 A 39 39 TRP N N 37 120.800 117.124 3.676 1
1 337 . 6 1 1 A 40 40 ARG H H 38 9.050 8.656 0.394 1
1 344 . 6 1 1 A 40 40 ARG C C 38 174.900 174.073 0.827 1
1 345 . 6 1 1 A 40 40 ARG CA C 38 54.000 46.345 7.655 1
1 349 . 6 1 1 A 40 40 ARG N N 38 118.200 109.267 8.933 1
1 350 . 6 1 1 A 41 41 VAL H H 39 8.660 7.279 1.381 1
1 351 . 6 1 1 A 41 41 VAL HA H 39 4.040 4.960 -0.920 1
1 359 . 6 1 1 A 41 41 VAL C C 39 178.000 174.385 3.615 1
1 360 . 6 1 1 A 41 41 VAL CA C 39 63.800 54.952 8.848 1
1 361 . 6 1 1 A 41 41 VAL CB C 39 32.400 32.164 0.236 1
1 364 . 6 1 1 A 41 41 VAL N N 39 122.700 118.842 3.858 1
1 365 . 6 1 1 A 42 42 VAL H H 40 9.090 9.471 -0.381 1
1 366 . 6 1 1 A 42 42 VAL HA H 40 4.740 5.019 -0.279 1
1 374 . 6 1 1 A 42 42 VAL C C 40 174.800 174.862 -0.062 1
1 375 . 6 1 1 A 42 42 VAL CA C 40 61.000 54.833 6.167 1
1 376 . 6 1 1 A 42 42 VAL CB C 40 34.100 33.051 1.049 1
1 379 . 6 1 1 A 42 42 VAL N N 40 119.800 121.836 -2.036 1
1 380 . 6 1 1 A 43 43 HIS H H 41 7.700 9.178 -1.478 1
1 381 . 6 1 1 A 43 43 HIS HA H 41 4.530 4.257 0.273 1
1 384 . 6 1 1 A 43 43 HIS C C 41 173.400 175.514 -2.114 1
1 385 . 6 1 1 A 43 43 HIS CA C 41 57.500 63.651 -6.151 1
1 386 . 6 1 1 A 43 43 HIS CB C 41 32.800 31.476 1.324 1
1 387 . 6 1 1 A 43 43 HIS N N 41 119.700 127.741 -8.041 1
1 388 . 6 1 1 A 44 44 GLY H H 42 7.590 8.940 -1.350 1
1 391 . 6 1 1 A 44 44 GLY C C 42 174.600 175.841 -1.241 1
1 392 . 6 1 1 A 44 44 GLY CA C 42 42.400 64.185 -21.785 1
1 393 . 6 1 1 A 44 44 GLY N N 42 112.000 129.269 -17.269 1
1 394 . 6 1 1 A 45 45 GLU H H 43 8.700 7.606 1.094 1
1 395 . 6 1 1 A 45 45 GLU HA H 43 4.120 5.064 -0.944 1
1 400 . 6 1 1 A 45 45 GLU C C 43 175.200 175.297 -0.097 1
1 401 . 6 1 1 A 45 45 GLU CA C 43 56.900 54.489 2.411 1
1 402 . 6 1 1 A 45 45 GLU CB C 43 30.900 33.115 -2.215 1
1 404 . 6 1 1 A 45 45 GLU N N 43 121.700 116.931 4.769 1
1 405 . 6 1 1 A 46 46 ALA H H 44 9.400 8.535 0.865 1
1 409 . 6 1 1 A 46 46 ALA C C 44 175.100 172.633 2.467 1
1 410 . 6 1 1 A 46 46 ALA CA C 44 51.100 43.816 7.284 1
1 412 . 6 1 1 A 46 46 ALA N N 44 127.000 108.319 18.681 1
1 413 . 6 1 1 A 47 47 SER H H 45 8.710 7.777 0.933 1
1 414 . 6 1 1 A 47 47 SER HA H 45 4.730 5.124 -0.394 1
1 417 . 6 1 1 A 47 47 SER C C 45 175.000 175.966 -0.966 1
1 418 . 6 1 1 A 47 47 SER CA C 45 57.900 55.530 2.370 1
1 419 . 6 1 1 A 47 47 SER CB C 45 64.900 30.181 34.719 1
1 420 . 6 1 1 A 47 47 SER N N 45 115.300 120.534 -5.234 1
1 421 . 6 1 1 A 48 48 ARG H H 46 9.520 8.214 1.306 1
1 422 . 6 1 1 A 48 48 ARG HA H 46 3.390 4.892 -1.502 1
1 429 . 6 1 1 A 48 48 ARG C C 46 178.300 177.230 1.070 1
1 430 . 6 1 1 A 48 48 ARG CA C 46 61.000 50.031 10.969 1
1 431 . 6 1 1 A 48 48 ARG CB C 46 30.100 22.835 7.265 1
1 434 . 6 1 1 A 48 48 ARG N N 46 123.400 127.775 -4.375 1
1 435 . 6 1 1 A 49 49 ALA H H 47 8.620 8.517 0.103 1
1 436 . 6 1 1 A 49 49 ALA HA H 47 3.970 4.544 -0.574 1
1 440 . 6 1 1 A 49 49 ALA C C 47 180.500 174.953 5.547 1
1 441 . 6 1 1 A 49 49 ALA CA C 47 55.400 60.261 -4.861 1
1 442 . 6 1 1 A 49 49 ALA CB C 47 18.200 63.862 -45.662 1
1 443 . 6 1 1 A 49 49 ALA N N 47 118.800 115.312 3.488 1
1 444 . 6 1 1 A 50 50 ALA H H 48 8.130 8.905 -0.775 1
1 445 . 6 1 1 A 50 50 ALA HA H 48 4.260 3.342 0.918 1
1 449 . 6 1 1 A 50 50 ALA C C 48 182.500 177.951 4.549 1
1 450 . 6 1 1 A 50 50 ALA CA C 48 54.900 59.715 -4.815 1
1 451 . 6 1 1 A 50 50 ALA CB C 48 19.100 29.451 -10.351 1
1 452 . 6 1 1 A 50 50 ALA N N 48 122.100 125.960 -3.860 1
1 453 . 6 1 1 A 51 51 CYS H H 49 8.530 8.083 0.447 1
1 454 . 6 1 1 A 51 51 CYS HA H 49 4.070 4.086 -0.016 1
1 457 . 6 1 1 A 51 51 CYS C C 49 176.800 180.030 -3.230 1
1 458 . 6 1 1 A 51 51 CYS CA C 49 65.000 54.999 10.001 1
1 459 . 6 1 1 A 51 51 CYS CB C 49 27.100 18.018 9.082 1
1 460 . 6 1 1 A 51 51 CYS N N 49 119.000 120.528 -1.528 1
1 461 . 6 1 1 A 52 52 LEU H H 50 8.660 8.137 0.523 1
1 462 . 6 1 1 A 52 52 LEU HA H 50 3.990 4.079 -0.089 1
1 472 . 6 1 1 A 52 52 LEU C C 50 179.800 179.484 0.316 1
1 473 . 6 1 1 A 52 52 LEU CA C 50 58.200 55.053 3.147 1
1 474 . 6 1 1 A 52 52 LEU CB C 50 41.000 18.126 22.874 1
1 478 . 6 1 1 A 52 52 LEU N N 50 121.100 119.610 1.490 1
1 479 . 6 1 1 A 53 53 ASP H H 51 8.020 8.266 -0.246 1
1 480 . 6 1 1 A 53 53 ASP HA H 51 4.370 4.053 0.317 1
1 483 . 6 1 1 A 53 53 ASP C C 51 177.500 177.365 0.135 1
1 484 . 6 1 1 A 53 53 ASP CA C 51 57.500 63.923 -6.423 1
1 485 . 6 1 1 A 53 53 ASP CB C 51 41.500 27.320 14.180 1
1 486 . 6 1 1 A 53 53 ASP N N 51 120.300 116.208 4.092 1
1 487 . 6 1 1 A 54 54 TYR H H 52 7.760 8.213 -0.453 1
1 488 . 6 1 1 A 54 54 TYR HA H 52 3.770 3.950 -0.180 1
1 495 . 6 1 1 A 54 54 TYR C C 52 179.000 178.644 0.356 1
1 496 . 6 1 1 A 54 54 TYR CA C 52 62.300 58.039 4.261 1
1 497 . 6 1 1 A 54 54 TYR CB C 52 37.700 41.622 -3.922 1
1 502 . 6 1 1 A 54 54 TYR N N 52 119.700 120.300 -0.600 1
1 503 . 6 1 1 A 55 55 VAL H H 53 8.250 8.584 -0.334 1
1 504 . 6 1 1 A 55 55 VAL HA H 53 3.580 4.282 -0.702 1
1 512 . 6 1 1 A 55 55 VAL C C 53 177.700 177.761 -0.061 1
1 513 . 6 1 1 A 55 55 VAL CA C 53 66.800 57.166 9.634 1
1 514 . 6 1 1 A 55 55 VAL CB C 53 31.900 41.631 -9.731 1
1 517 . 6 1 1 A 55 55 VAL N N 53 120.200 119.258 0.942 1
1 518 . 6 1 1 A 56 56 GLU H H 54 8.170 8.472 -0.302 1
1 519 . 6 1 1 A 56 56 GLU HA H 54 4.010 4.177 -0.167 1
1 524 . 6 1 1 A 56 56 GLU C C 54 178.700 177.868 0.832 1
1 525 . 6 1 1 A 56 56 GLU CA C 54 59.200 61.386 -2.186 1
1 526 . 6 1 1 A 56 56 GLU CB C 54 29.600 38.696 -9.096 1
1 528 . 6 1 1 A 56 56 GLU N N 54 119.600 120.734 -1.134 1
1 529 . 6 1 1 A 57 57 LYS H H 55 7.800 8.448 -0.648 1
1 530 . 6 1 1 A 57 57 LYS HA H 55 4.040 4.013 0.027 1
1 539 . 6 1 1 A 57 57 LYS C C 55 177.900 178.393 -0.493 1
1 540 . 6 1 1 A 57 57 LYS CA C 55 57.900 67.000 -9.100 1
1 541 . 6 1 1 A 57 57 LYS CB C 55 33.300 31.707 1.593 1
1 545 . 6 1 1 A 57 57 LYS N N 55 115.700 119.368 -3.668 1
1 546 . 6 1 1 A 58 58 ASN H H 56 7.570 8.425 -0.855 1
1 547 . 6 1 1 A 58 58 ASN HA H 56 4.490 4.237 0.253 1
1 552 . 6 1 1 A 58 58 ASN C C 56 174.300 178.833 -4.533 1
1 553 . 6 1 1 A 58 58 ASN CA C 56 54.700 59.472 -4.772 1
1 554 . 6 1 1 A 58 58 ASN CB C 56 40.100 29.265 10.835 1
1 555 . 6 1 1 A 58 58 ASN N N 56 115.000 121.861 -6.861 1
1 557 . 6 1 1 A 59 59 TRP H H 57 8.120 8.109 0.011 1
1 562 . 6 1 1 A 59 59 TRP CA C 57 57.800 58.060 -0.260 1
1 563 . 6 1 1 A 59 59 TRP CB C 57 29.800 32.292 -2.492 1
1 564 . 6 1 1 A 59 59 TRP N N 57 121.400 119.201 2.199 1
1 566 . 6 1 1 A 64 64 PRO HA H 62 4.410 4.428 -0.018 1
1 571 . 6 1 1 A 64 64 PRO C C 62 176.200 176.547 -0.347 1
1 572 . 6 1 1 A 64 64 PRO CA C 62 63.300 53.892 9.408 1
1 573 . 6 1 1 A 64 64 PRO CB C 62 32.100 43.482 -11.382 1
1 576 . 6 1 1 A 65 65 LYS H H 63 8.030 8.626 -0.596 1
1 577 . 6 1 1 A 65 65 LYS HA H 63 4.130 4.955 -0.825 1
1 580 . 6 1 1 A 65 65 LYS CA C 63 57.700 53.160 4.540 1
1 581 . 6 1 1 A 65 65 LYS CB C 63 33.600 31.889 1.711 1
1 3 . 7 1 1 A 4 4 MET H H 2 8.430 8.421 0.009 1
1 7 . 7 1 1 A 4 4 MET C C 2 176.000 173.582 2.418 1
1 8 . 7 1 1 A 4 4 MET CA C 2 55.400 58.906 -3.506 1
1 9 . 7 1 1 A 4 4 MET CB C 2 32.900 63.468 -30.568 1
1 11 . 7 1 1 A 4 4 MET N N 2 120.500 120.035 0.465 1
1 12 . 7 1 1 A 5 5 SER H H 3 8.400 8.592 -0.192 1
1 13 . 7 1 1 A 5 5 SER HA H 3 4.500 4.873 -0.373 1
1 16 . 7 1 1 A 5 5 SER C C 3 174.700 173.794 0.906 1
1 17 . 7 1 1 A 5 5 SER CA C 3 58.400 55.772 2.628 1
1 18 . 7 1 1 A 5 5 SER CB C 3 63.800 32.077 31.723 1
1 19 . 7 1 1 A 5 5 SER N N 3 117.300 124.198 -6.898 1
1 20 . 7 1 1 A 6 6 THR H H 4 8.210 8.681 -0.471 1
1 21 . 7 1 1 A 6 6 THR HA H 4 4.330 4.446 -0.116 1
1 26 . 7 1 1 A 6 6 THR C C 4 174.000 175.832 -1.832 1
1 27 . 7 1 1 A 6 6 THR CA C 4 61.900 54.027 7.873 1
1 28 . 7 1 1 A 6 6 THR CB C 4 69.900 31.602 38.298 1
1 30 . 7 1 1 A 6 6 THR N N 4 115.400 127.818 -12.418 1
1 31 . 7 1 1 A 7 7 ASN H H 5 8.440 8.844 -0.404 1
1 32 . 7 1 1 A 7 7 ASN HA H 5 4.950 4.223 0.727 1
1 37 . 7 1 1 A 7 7 ASN CA C 5 50.900 62.372 -11.472 1
1 38 . 7 1 1 A 7 7 ASN CB C 5 39.000 63.120 -24.120 1
1 39 . 7 1 1 A 7 7 ASN N N 5 121.600 120.689 0.911 1
1 41 . 7 1 1 A 8 8 PRO HA H 6 4.310 4.331 -0.021 1
1 48 . 7 1 1 A 8 8 PRO C C 6 177.100 173.585 3.515 1
1 49 . 7 1 1 A 8 8 PRO CA C 6 64.000 62.625 1.375 1
1 50 . 7 1 1 A 8 8 PRO CB C 6 32.100 67.566 -35.466 1
1 53 . 7 1 1 A 9 9 PHE H H 7 8.020 8.418 -0.398 1
1 54 . 7 1 1 A 9 9 PHE HA H 7 4.480 4.697 -0.217 1
1 59 . 7 1 1 A 9 9 PHE CA C 7 58.300 51.273 7.027 1
1 60 . 7 1 1 A 9 9 PHE CB C 7 38.800 38.541 0.259 1
1 63 . 7 1 1 A 9 9 PHE N N 7 117.200 125.537 -8.337 1
1 64 . 7 1 1 A 12 12 ASP C C 10 176.700 175.360 1.340 1
1 65 . 7 1 1 A 12 12 ASP CA C 10 54.800 53.294 1.506 1
1 66 . 7 1 1 A 12 12 ASP CB C 10 41.000 43.391 -2.391 1
1 67 . 7 1 1 A 13 13 ASN H H 11 8.490 8.847 -0.357 1
1 70 . 7 1 1 A 13 13 ASN C C 11 175.700 175.584 0.116 1
1 71 . 7 1 1 A 13 13 ASN CA C 11 53.400 51.983 1.417 1
1 72 . 7 1 1 A 13 13 ASN CB C 11 39.200 42.010 -2.810 1
1 73 . 7 1 1 A 13 13 ASN N N 11 118.500 124.169 -5.669 1
1 75 . 7 1 1 A 14 14 GLY H H 12 8.200 8.851 -0.651 1
1 78 . 7 1 1 A 14 14 GLY C C 12 172.200 174.885 -2.685 1
1 79 . 7 1 1 A 14 14 GLY CA C 12 45.200 54.002 -8.802 1
1 80 . 7 1 1 A 14 14 GLY N N 12 108.500 118.223 -9.723 1
1 81 . 7 1 1 A 15 15 ALA H H 13 7.670 8.183 -0.513 1
1 82 . 7 1 1 A 15 15 ALA HA H 13 4.600 4.590 0.010 1
1 86 . 7 1 1 A 15 15 ALA C C 13 176.500 173.225 3.275 1
1 87 . 7 1 1 A 15 15 ALA CA C 13 51.400 52.145 -0.745 1
1 88 . 7 1 1 A 15 15 ALA CB C 13 21.000 38.359 -17.359 1
1 89 . 7 1 1 A 15 15 ALA N N 13 122.600 115.049 7.551 1
1 90 . 7 1 1 A 16 16 PHE H H 14 9.350 8.383 0.967 1
1 98 . 7 1 1 A 16 16 PHE C C 14 174.300 172.518 1.782 1
1 99 . 7 1 1 A 16 16 PHE CA C 14 57.600 45.628 11.972 1
1 105 . 7 1 1 A 16 16 PHE N N 14 120.000 106.243 13.757 1
1 106 . 7 1 1 A 17 17 PHE H H 15 9.550 8.379 1.171 1
1 107 . 7 1 1 A 17 17 PHE HA H 15 5.600 3.958 1.642 1
1 112 . 7 1 1 A 17 17 PHE C C 15 177.700 177.297 0.403 1
1 113 . 7 1 1 A 17 17 PHE CA C 15 55.900 51.993 3.907 1
1 114 . 7 1 1 A 17 17 PHE CB C 15 44.100 19.222 24.878 1
1 117 . 7 1 1 A 17 17 PHE N N 15 115.700 127.488 -11.788 1
1 118 . 7 1 1 A 18 18 VAL H H 16 8.670 7.842 0.828 1
1 119 . 7 1 1 A 18 18 VAL HA H 16 4.220 5.480 -1.260 1
1 127 . 7 1 1 A 18 18 VAL C C 16 175.200 174.825 0.375 1
1 128 . 7 1 1 A 18 18 VAL CA C 16 62.700 55.372 7.328 1
1 129 . 7 1 1 A 18 18 VAL CB C 16 32.700 41.862 -9.162 1
1 132 . 7 1 1 A 18 18 VAL N N 16 117.200 118.893 -1.693 1
1 133 . 7 1 1 A 19 19 LEU H H 17 9.500 9.469 0.031 1
1 134 . 7 1 1 A 19 19 LEU HA H 17 5.730 5.183 0.547 1
1 144 . 7 1 1 A 19 19 LEU C C 17 176.700 175.486 1.214 1
1 145 . 7 1 1 A 19 19 LEU CA C 17 52.100 56.456 -4.356 1
1 146 . 7 1 1 A 19 19 LEU CB C 17 46.800 42.793 4.007 1
1 150 . 7 1 1 A 19 19 LEU N N 17 127.100 118.620 8.480 1
1 151 . 7 1 1 A 20 20 VAL H H 18 9.170 8.889 0.281 1
1 152 . 7 1 1 A 20 20 VAL HA H 18 5.710 4.472 1.238 1
1 160 . 7 1 1 A 20 20 VAL C C 18 174.800 174.868 -0.068 1
1 161 . 7 1 1 A 20 20 VAL CA C 18 59.300 62.791 -3.491 1
1 162 . 7 1 1 A 20 20 VAL CB C 18 36.700 31.010 5.690 1
1 165 . 7 1 1 A 20 20 VAL N N 18 115.900 122.642 -6.742 1
1 166 . 7 1 1 A 21 21 ASN H H 19 7.320 9.270 -1.950 1
1 167 . 7 1 1 A 21 21 ASN HA H 19 4.720 5.364 -0.644 1
1 170 . 7 1 1 A 21 21 ASN C C 19 177.700 174.934 2.766 1
1 171 . 7 1 1 A 21 21 ASN CA C 19 49.700 53.581 -3.881 1
1 172 . 7 1 1 A 21 21 ASN CB C 19 37.500 44.943 -7.443 1
1 173 . 7 1 1 A 21 21 ASN N N 19 122.600 130.154 -7.554 1
1 174 . 7 1 1 A 22 22 ASP H H 20 8.240 9.343 -1.103 1
1 175 . 7 1 1 A 22 22 ASP HA H 20 4.400 4.645 -0.245 1
1 178 . 7 1 1 A 22 22 ASP C C 20 176.600 174.760 1.840 1
1 179 . 7 1 1 A 22 22 ASP CA C 20 56.400 61.300 -4.900 1
1 180 . 7 1 1 A 22 22 ASP CB C 20 40.100 33.811 6.289 1
1 181 . 7 1 1 A 22 22 ASP N N 20 117.500 127.535 -10.035 1
1 182 . 7 1 1 A 23 23 GLU H H 21 7.220 8.675 -1.455 1
1 183 . 7 1 1 A 23 23 GLU HA H 21 4.380 5.126 -0.746 1
1 188 . 7 1 1 A 23 23 GLU C C 21 175.500 175.571 -0.071 1
1 189 . 7 1 1 A 23 23 GLU CA C 21 55.600 51.704 3.896 1
1 190 . 7 1 1 A 23 23 GLU CB C 21 29.500 40.929 -11.429 1
1 192 . 7 1 1 A 23 23 GLU N N 21 118.100 126.226 -8.126 1
1 193 . 7 1 1 A 24 24 ASP H H 22 8.030 9.079 -1.049 1
1 194 . 7 1 1 A 24 24 ASP HA H 22 4.280 4.281 -0.001 1
1 197 . 7 1 1 A 24 24 ASP CA C 22 56.200 57.768 -1.568 1
1 198 . 7 1 1 A 24 24 ASP CB C 22 40.000 40.816 -0.816 1
1 199 . 7 1 1 A 24 24 ASP N N 22 115.700 125.626 -9.926 1
1 200 . 7 1 1 A 25 25 GLN H H 23 7.710 7.929 -0.219 1
1 201 . 7 1 1 A 25 25 GLN HA H 23 4.270 4.505 -0.235 1
1 206 . 7 1 1 A 25 25 GLN C C 23 175.300 174.624 0.676 1
1 207 . 7 1 1 A 25 25 GLN CA C 23 55.200 55.594 -0.394 1
1 208 . 7 1 1 A 25 25 GLN CB C 23 29.400 29.923 -0.523 1
1 209 . 7 1 1 A 25 25 GLN N N 23 116.800 115.610 1.190 1
1 210 . 7 1 1 A 26 26 HIS H H 24 8.870 7.381 1.489 1
1 211 . 7 1 1 A 26 26 HIS HA H 24 6.030 4.803 1.227 1
1 214 . 7 1 1 A 26 26 HIS CA C 24 54.400 52.626 1.774 1
1 215 . 7 1 1 A 26 26 HIS CB C 24 32.700 43.064 -10.364 1
1 216 . 7 1 1 A 26 26 HIS N N 24 113.400 122.319 -8.919 1
1 219 . 7 1 1 A 27 27 SER CB C 25 66.800 28.803 37.997 1
1 220 . 7 1 1 A 28 28 LEU HA H 26 5.430 4.933 0.497 1
1 230 . 7 1 1 A 28 28 LEU CA C 26 56.100 54.944 1.156 1
1 231 . 7 1 1 A 28 28 LEU CB C 26 43.600 31.687 11.913 1
1 235 . 7 1 1 A 29 29 TRP HA H 27 5.320 5.094 0.226 1
1 242 . 7 1 1 A 29 29 TRP CA C 27 54.100 58.201 -4.101 1
1 243 . 7 1 1 A 29 29 TRP CB C 27 36.000 64.762 -28.762 1
1 248 . 7 1 1 A 30 30 PRO C C 28 177.500 175.436 2.064 1
1 249 . 7 1 1 A 30 30 PRO CA C 28 62.400 54.330 8.070 1
1 250 . 7 1 1 A 30 30 PRO CB C 28 31.700 40.950 -9.250 1
1 253 . 7 1 1 A 31 31 VAL H H 29 7.000 9.034 -2.034 1
1 254 . 7 1 1 A 31 31 VAL HA H 29 3.710 5.425 -1.715 1
1 262 . 7 1 1 A 31 31 VAL CA C 29 63.600 55.238 8.362 1
1 263 . 7 1 1 A 31 31 VAL CB C 29 31.200 32.434 -1.234 1
1 266 . 7 1 1 A 31 31 VAL N N 29 114.100 128.155 -14.055 1
1 270 . 7 1 1 A 33 33 ALA C C 31 177.500 177.199 0.301 1
1 271 . 7 1 1 A 33 33 ALA CA C 31 50.900 63.837 -12.937 1
1 272 . 7 1 1 A 33 33 ALA CB C 31 20.200 31.316 -11.116 1
1 273 . 7 1 1 A 34 34 ASP H H 32 8.830 7.892 0.938 1
1 274 . 7 1 1 A 34 34 ASP HA H 32 4.500 4.045 0.455 1
1 277 . 7 1 1 A 34 34 ASP C C 32 176.900 174.886 2.014 1
1 278 . 7 1 1 A 34 34 ASP CA C 32 55.200 59.898 -4.698 1
1 279 . 7 1 1 A 34 34 ASP CB C 32 40.400 39.748 0.652 1
1 280 . 7 1 1 A 34 34 ASP N N 32 124.600 122.918 1.682 1
1 281 . 7 1 1 A 35 35 ILE H H 33 8.590 7.254 1.336 1
1 282 . 7 1 1 A 35 35 ILE HA H 33 3.610 4.347 -0.737 1
1 292 . 7 1 1 A 35 35 ILE C C 33 176.100 176.581 -0.481 1
1 293 . 7 1 1 A 35 35 ILE CA C 33 58.600 50.878 7.722 1
1 294 . 7 1 1 A 35 35 ILE CB C 33 37.600 21.473 16.127 1
1 298 . 7 1 1 A 35 35 ILE N N 33 125.200 120.110 5.090 1
1 299 . 7 1 1 A 36 36 PRO HA H 34 4.290 4.761 -0.471 1
1 306 . 7 1 1 A 36 36 PRO C C 34 179.400 175.704 3.696 1
1 307 . 7 1 1 A 36 36 PRO CA C 34 62.600 54.494 8.106 1
1 308 . 7 1 1 A 36 36 PRO CB C 34 31.600 41.367 -9.767 1
1 311 . 7 1 1 A 37 37 ALA H H 35 8.300 8.614 -0.314 1
1 312 . 7 1 1 A 37 37 ALA HA H 35 4.190 4.453 -0.263 1
1 316 . 7 1 1 A 37 37 ALA CA C 35 53.600 58.022 -4.422 1
1 317 . 7 1 1 A 37 37 ALA CB C 35 18.400 37.796 -19.396 1
1 318 . 7 1 1 A 37 37 ALA N N 35 123.600 127.528 -3.928 1
1 322 . 7 1 1 A 38 38 GLY C C 36 174.000 175.760 -1.760 1
1 323 . 7 1 1 A 38 38 GLY CA C 36 45.000 62.230 -17.230 1
1 324 . 7 1 1 A 38 38 GLY N N 36 110.200 142.861 -32.661 1
1 325 . 7 1 1 A 39 39 TRP H H 37 7.700 8.340 -0.640 1
1 326 . 7 1 1 A 39 39 TRP HA H 37 4.900 5.167 -0.267 1
1 331 . 7 1 1 A 39 39 TRP C C 37 175.000 177.908 -2.908 1
1 332 . 7 1 1 A 39 39 TRP CA C 37 56.000 51.265 4.735 1
1 333 . 7 1 1 A 39 39 TRP CB C 37 31.800 22.005 9.795 1
1 335 . 7 1 1 A 39 39 TRP N N 37 120.800 121.266 -0.466 1
1 337 . 7 1 1 A 40 40 ARG H H 38 9.050 8.543 0.507 1
1 344 . 7 1 1 A 40 40 ARG C C 38 174.900 173.725 1.175 1
1 345 . 7 1 1 A 40 40 ARG CA C 38 54.000 45.717 8.283 1
1 349 . 7 1 1 A 40 40 ARG N N 38 118.200 109.613 8.587 1
1 350 . 7 1 1 A 41 41 VAL H H 39 8.660 7.242 1.418 1
1 351 . 7 1 1 A 41 41 VAL HA H 39 4.040 5.352 -1.312 1
1 359 . 7 1 1 A 41 41 VAL C C 39 178.000 174.985 3.015 1
1 360 . 7 1 1 A 41 41 VAL CA C 39 63.800 54.857 8.943 1
1 361 . 7 1 1 A 41 41 VAL CB C 39 32.400 32.922 -0.522 1
1 364 . 7 1 1 A 41 41 VAL N N 39 122.700 117.480 5.220 1
1 365 . 7 1 1 A 42 42 VAL H H 40 9.090 8.639 0.451 1
1 366 . 7 1 1 A 42 42 VAL HA H 40 4.740 5.128 -0.388 1
1 374 . 7 1 1 A 42 42 VAL C C 40 174.800 175.546 -0.746 1
1 375 . 7 1 1 A 42 42 VAL CA C 40 61.000 54.699 6.301 1
1 376 . 7 1 1 A 42 42 VAL CB C 40 34.100 33.920 0.180 1
1 379 . 7 1 1 A 42 42 VAL N N 40 119.800 119.606 0.194 1
1 380 . 7 1 1 A 43 43 HIS H H 41 7.700 9.270 -1.570 1
1 381 . 7 1 1 A 43 43 HIS HA H 41 4.530 4.645 -0.115 1
1 384 . 7 1 1 A 43 43 HIS C C 41 173.400 175.657 -2.257 1
1 385 . 7 1 1 A 43 43 HIS CA C 41 57.500 63.460 -5.960 1
1 386 . 7 1 1 A 43 43 HIS CB C 41 32.800 31.965 0.835 1
1 387 . 7 1 1 A 43 43 HIS N N 41 119.700 124.765 -5.065 1
1 388 . 7 1 1 A 44 44 GLY H H 42 7.590 9.233 -1.643 1
1 391 . 7 1 1 A 44 44 GLY C C 42 174.600 176.107 -1.507 1
1 392 . 7 1 1 A 44 44 GLY CA C 42 42.400 63.911 -21.511 1
1 393 . 7 1 1 A 44 44 GLY N N 42 112.000 128.052 -16.052 1
1 394 . 7 1 1 A 45 45 GLU H H 43 8.700 7.704 0.996 1
1 395 . 7 1 1 A 45 45 GLU HA H 43 4.120 4.714 -0.594 1
1 400 . 7 1 1 A 45 45 GLU C C 43 175.200 173.317 1.883 1
1 401 . 7 1 1 A 45 45 GLU CA C 43 56.900 54.658 2.242 1
1 402 . 7 1 1 A 45 45 GLU CB C 43 30.900 33.162 -2.262 1
1 404 . 7 1 1 A 45 45 GLU N N 43 121.700 117.858 3.842 1
1 405 . 7 1 1 A 46 46 ALA H H 44 9.400 8.011 1.389 1
1 409 . 7 1 1 A 46 46 ALA C C 44 175.100 172.613 2.487 1
1 410 . 7 1 1 A 46 46 ALA CA C 44 51.100 43.651 7.449 1
1 412 . 7 1 1 A 46 46 ALA N N 44 127.000 111.900 15.100 1
1 413 . 7 1 1 A 47 47 SER H H 45 8.710 8.226 0.484 1
1 414 . 7 1 1 A 47 47 SER HA H 45 4.730 4.786 -0.056 1
1 417 . 7 1 1 A 47 47 SER C C 45 175.000 175.831 -0.831 1
1 418 . 7 1 1 A 47 47 SER CA C 45 57.900 55.699 2.201 1
1 419 . 7 1 1 A 47 47 SER CB C 45 64.900 29.924 34.976 1
1 420 . 7 1 1 A 47 47 SER N N 45 115.300 118.773 -3.473 1
1 421 . 7 1 1 A 48 48 ARG H H 46 9.520 8.120 1.400 1
1 422 . 7 1 1 A 48 48 ARG HA H 46 3.390 4.878 -1.488 1
1 429 . 7 1 1 A 48 48 ARG C C 46 178.300 176.411 1.889 1
1 430 . 7 1 1 A 48 48 ARG CA C 46 61.000 50.821 10.179 1
1 431 . 7 1 1 A 48 48 ARG CB C 46 30.100 23.363 6.737 1
1 434 . 7 1 1 A 48 48 ARG N N 46 123.400 126.022 -2.622 1
1 435 . 7 1 1 A 49 49 ALA H H 47 8.620 8.543 0.077 1
1 436 . 7 1 1 A 49 49 ALA HA H 47 3.970 4.502 -0.532 1
1 440 . 7 1 1 A 49 49 ALA C C 47 180.500 174.869 5.631 1
1 441 . 7 1 1 A 49 49 ALA CA C 47 55.400 60.130 -4.730 1
1 442 . 7 1 1 A 49 49 ALA CB C 47 18.200 63.673 -45.473 1
1 443 . 7 1 1 A 49 49 ALA N N 47 118.800 115.631 3.169 1
1 444 . 7 1 1 A 50 50 ALA H H 48 8.130 8.845 -0.715 1
1 445 . 7 1 1 A 50 50 ALA HA H 48 4.260 3.424 0.836 1
1 449 . 7 1 1 A 50 50 ALA C C 48 182.500 177.937 4.563 1
1 450 . 7 1 1 A 50 50 ALA CA C 48 54.900 59.736 -4.836 1
1 451 . 7 1 1 A 50 50 ALA CB C 48 19.100 29.488 -10.388 1
1 452 . 7 1 1 A 50 50 ALA N N 48 122.100 125.755 -3.655 1
1 453 . 7 1 1 A 51 51 CYS H H 49 8.530 8.020 0.510 1
1 454 . 7 1 1 A 51 51 CYS HA H 49 4.070 4.071 -0.001 1
1 457 . 7 1 1 A 51 51 CYS C C 49 176.800 180.006 -3.206 1
1 458 . 7 1 1 A 51 51 CYS CA C 49 65.000 54.912 10.088 1
1 459 . 7 1 1 A 51 51 CYS CB C 49 27.100 18.061 9.039 1
1 460 . 7 1 1 A 51 51 CYS N N 49 119.000 120.563 -1.563 1
1 461 . 7 1 1 A 52 52 LEU H H 50 8.660 8.124 0.536 1
1 462 . 7 1 1 A 52 52 LEU HA H 50 3.990 3.985 0.005 1
1 472 . 7 1 1 A 52 52 LEU C C 50 179.800 179.653 0.147 1
1 473 . 7 1 1 A 52 52 LEU CA C 50 58.200 55.081 3.119 1
1 474 . 7 1 1 A 52 52 LEU CB C 50 41.000 18.417 22.583 1
1 478 . 7 1 1 A 52 52 LEU N N 50 121.100 119.706 1.394 1
1 479 . 7 1 1 A 53 53 ASP H H 51 8.020 8.179 -0.159 1
1 480 . 7 1 1 A 53 53 ASP HA H 51 4.370 4.044 0.326 1
1 483 . 7 1 1 A 53 53 ASP C C 51 177.500 177.088 0.412 1
1 484 . 7 1 1 A 53 53 ASP CA C 51 57.500 63.694 -6.194 1
1 485 . 7 1 1 A 53 53 ASP CB C 51 41.500 27.329 14.171 1
1 486 . 7 1 1 A 53 53 ASP N N 51 120.300 115.912 4.388 1
1 487 . 7 1 1 A 54 54 TYR H H 52 7.760 8.308 -0.548 1
1 488 . 7 1 1 A 54 54 TYR HA H 52 3.770 3.696 0.074 1
1 495 . 7 1 1 A 54 54 TYR C C 52 179.000 178.409 0.591 1
1 496 . 7 1 1 A 54 54 TYR CA C 52 62.300 58.063 4.237 1
1 497 . 7 1 1 A 54 54 TYR CB C 52 37.700 41.476 -3.776 1
1 502 . 7 1 1 A 54 54 TYR N N 52 119.700 120.383 -0.683 1
1 503 . 7 1 1 A 55 55 VAL H H 53 8.250 8.433 -0.183 1
1 504 . 7 1 1 A 55 55 VAL HA H 53 3.580 4.253 -0.673 1
1 512 . 7 1 1 A 55 55 VAL C C 53 177.700 177.735 -0.035 1
1 513 . 7 1 1 A 55 55 VAL CA C 53 66.800 56.972 9.828 1
1 514 . 7 1 1 A 55 55 VAL CB C 53 31.900 41.579 -9.679 1
1 517 . 7 1 1 A 55 55 VAL N N 53 120.200 118.826 1.374 1
1 518 . 7 1 1 A 56 56 GLU H H 54 8.170 8.294 -0.124 1
1 519 . 7 1 1 A 56 56 GLU HA H 54 4.010 4.129 -0.119 1
1 524 . 7 1 1 A 56 56 GLU C C 54 178.700 177.765 0.935 1
1 525 . 7 1 1 A 56 56 GLU CA C 54 59.200 61.325 -2.125 1
1 526 . 7 1 1 A 56 56 GLU CB C 54 29.600 38.698 -9.098 1
1 528 . 7 1 1 A 56 56 GLU N N 54 119.600 120.977 -1.377 1
1 529 . 7 1 1 A 57 57 LYS H H 55 7.800 8.176 -0.376 1
1 530 . 7 1 1 A 57 57 LYS HA H 55 4.040 3.577 0.463 1
1 539 . 7 1 1 A 57 57 LYS C C 55 177.900 178.067 -0.167 1
1 540 . 7 1 1 A 57 57 LYS CA C 55 57.900 66.645 -8.745 1
1 541 . 7 1 1 A 57 57 LYS CB C 55 33.300 31.501 1.799 1
1 545 . 7 1 1 A 57 57 LYS N N 55 115.700 119.085 -3.385 1
1 546 . 7 1 1 A 58 58 ASN H H 56 7.570 8.213 -0.643 1
1 547 . 7 1 1 A 58 58 ASN HA H 56 4.490 4.159 0.331 1
1 552 . 7 1 1 A 58 58 ASN C C 56 174.300 179.761 -5.461 1
1 553 . 7 1 1 A 58 58 ASN CA C 56 54.700 59.106 -4.406 1
1 554 . 7 1 1 A 58 58 ASN CB C 56 40.100 29.158 10.942 1
1 555 . 7 1 1 A 58 58 ASN N N 56 115.000 121.409 -6.409 1
1 557 . 7 1 1 A 59 59 TRP H H 57 8.120 7.929 0.191 1
1 562 . 7 1 1 A 59 59 TRP CA C 57 57.800 59.245 -1.445 1
1 563 . 7 1 1 A 59 59 TRP CB C 57 29.800 32.277 -2.477 1
1 564 . 7 1 1 A 59 59 TRP N N 57 121.400 120.148 1.252 1
1 566 . 7 1 1 A 64 64 PRO HA H 62 4.410 4.452 -0.042 1
1 571 . 7 1 1 A 64 64 PRO C C 62 176.200 176.015 0.185 1
1 572 . 7 1 1 A 64 64 PRO CA C 62 63.300 54.092 9.208 1
1 573 . 7 1 1 A 64 64 PRO CB C 62 32.100 42.045 -9.945 1
1 576 . 7 1 1 A 65 65 LYS H H 63 8.030 7.950 0.080 1
1 577 . 7 1 1 A 65 65 LYS HA H 63 4.130 4.008 0.122 1
1 580 . 7 1 1 A 65 65 LYS CA C 63 57.700 56.903 0.797 1
1 581 . 7 1 1 A 65 65 LYS CB C 63 33.600 28.779 4.821 1
1 3 . 8 1 1 A 4 4 MET H H 2 8.430 8.308 0.122 1
1 7 . 8 1 1 A 4 4 MET C C 2 176.000 173.885 2.115 1
1 8 . 8 1 1 A 4 4 MET CA C 2 55.400 58.207 -2.807 1
1 9 . 8 1 1 A 4 4 MET CB C 2 32.900 62.227 -29.327 1
1 11 . 8 1 1 A 4 4 MET N N 2 120.500 115.977 4.523 1
1 12 . 8 1 1 A 5 5 SER H H 3 8.400 7.957 0.443 1
1 13 . 8 1 1 A 5 5 SER HA H 3 4.500 4.878 -0.378 1
1 16 . 8 1 1 A 5 5 SER C C 3 174.700 174.785 -0.085 1
1 17 . 8 1 1 A 5 5 SER CA C 3 58.400 55.473 2.927 1
1 18 . 8 1 1 A 5 5 SER CB C 3 63.800 30.787 33.013 1
1 19 . 8 1 1 A 5 5 SER N N 3 117.300 123.528 -6.228 1
1 20 . 8 1 1 A 6 6 THR H H 4 8.210 8.797 -0.587 1
1 21 . 8 1 1 A 6 6 THR HA H 4 4.330 5.086 -0.756 1
1 26 . 8 1 1 A 6 6 THR C C 4 174.000 174.118 -0.118 1
1 27 . 8 1 1 A 6 6 THR CA C 4 61.900 53.243 8.657 1
1 28 . 8 1 1 A 6 6 THR CB C 4 69.900 36.752 33.148 1
1 30 . 8 1 1 A 6 6 THR N N 4 115.400 118.982 -3.582 1
1 31 . 8 1 1 A 7 7 ASN H H 5 8.440 8.871 -0.431 1
1 32 . 8 1 1 A 7 7 ASN HA H 5 4.950 5.293 -0.343 1
1 37 . 8 1 1 A 7 7 ASN CA C 5 50.900 56.970 -6.070 1
1 38 . 8 1 1 A 7 7 ASN CB C 5 39.000 65.306 -26.306 1
1 39 . 8 1 1 A 7 7 ASN N N 5 121.600 115.522 6.078 1
1 41 . 8 1 1 A 8 8 PRO HA H 6 4.310 4.784 -0.474 1
1 48 . 8 1 1 A 8 8 PRO C C 6 177.100 174.247 2.853 1
1 49 . 8 1 1 A 8 8 PRO CA C 6 64.000 62.068 1.932 1
1 50 . 8 1 1 A 8 8 PRO CB C 6 32.100 69.975 -37.875 1
1 53 . 8 1 1 A 9 9 PHE H H 7 8.020 8.706 -0.686 1
1 54 . 8 1 1 A 9 9 PHE HA H 7 4.480 5.055 -0.575 1
1 59 . 8 1 1 A 9 9 PHE CA C 7 58.300 51.486 6.814 1
1 60 . 8 1 1 A 9 9 PHE CB C 7 38.800 38.340 0.460 1
1 63 . 8 1 1 A 9 9 PHE N N 7 117.200 124.487 -7.287 1
1 64 . 8 1 1 A 12 12 ASP C C 10 176.700 175.967 0.733 1
1 65 . 8 1 1 A 12 12 ASP CA C 10 54.800 53.377 1.423 1
1 66 . 8 1 1 A 12 12 ASP CB C 10 41.000 40.453 0.547 1
1 67 . 8 1 1 A 13 13 ASN H H 11 8.490 7.861 0.629 1
1 70 . 8 1 1 A 13 13 ASN C C 11 175.700 174.412 1.288 1
1 71 . 8 1 1 A 13 13 ASN CA C 11 53.400 53.500 -0.100 1
1 72 . 8 1 1 A 13 13 ASN CB C 11 39.200 38.975 0.225 1
1 73 . 8 1 1 A 13 13 ASN N N 11 118.500 121.120 -2.620 1
1 75 . 8 1 1 A 14 14 GLY H H 12 8.200 8.912 -0.712 1
1 78 . 8 1 1 A 14 14 GLY C C 12 172.200 175.056 -2.856 1
1 79 . 8 1 1 A 14 14 GLY CA C 12 45.200 53.394 -8.194 1
1 80 . 8 1 1 A 14 14 GLY N N 12 108.500 124.990 -16.490 1
1 81 . 8 1 1 A 15 15 ALA H H 13 7.670 8.008 -0.338 1
1 82 . 8 1 1 A 15 15 ALA HA H 13 4.600 5.223 -0.623 1
1 86 . 8 1 1 A 15 15 ALA C C 13 176.500 173.894 2.606 1
1 87 . 8 1 1 A 15 15 ALA CA C 13 51.400 52.633 -1.233 1
1 88 . 8 1 1 A 15 15 ALA CB C 13 21.000 40.319 -19.319 1
1 89 . 8 1 1 A 15 15 ALA N N 13 122.600 123.022 -0.422 1
1 90 . 8 1 1 A 16 16 PHE H H 14 9.350 8.300 1.050 1
1 98 . 8 1 1 A 16 16 PHE C C 14 174.300 171.754 2.546 1
1 99 . 8 1 1 A 16 16 PHE CA C 14 57.600 45.494 12.106 1
1 105 . 8 1 1 A 16 16 PHE N N 14 120.000 111.472 8.528 1
1 106 . 8 1 1 A 17 17 PHE H H 15 9.550 8.696 0.854 1
1 107 . 8 1 1 A 17 17 PHE HA H 15 5.600 4.752 0.848 1
1 112 . 8 1 1 A 17 17 PHE C C 15 177.700 176.537 1.163 1
1 113 . 8 1 1 A 17 17 PHE CA C 15 55.900 50.644 5.256 1
1 114 . 8 1 1 A 17 17 PHE CB C 15 44.100 20.779 23.321 1
1 117 . 8 1 1 A 17 17 PHE N N 15 115.700 127.035 -11.335 1
1 118 . 8 1 1 A 18 18 VAL H H 16 8.670 8.248 0.422 1
1 119 . 8 1 1 A 18 18 VAL HA H 16 4.220 5.832 -1.612 1
1 127 . 8 1 1 A 18 18 VAL C C 16 175.200 173.173 2.027 1
1 128 . 8 1 1 A 18 18 VAL CA C 16 62.700 55.526 7.174 1
1 129 . 8 1 1 A 18 18 VAL CB C 16 32.700 42.905 -10.205 1
1 132 . 8 1 1 A 18 18 VAL N N 16 117.200 118.670 -1.470 1
1 133 . 8 1 1 A 19 19 LEU H H 17 9.500 10.067 -0.567 1
1 134 . 8 1 1 A 19 19 LEU HA H 17 5.730 5.315 0.415 1
1 144 . 8 1 1 A 19 19 LEU C C 17 176.700 175.375 1.325 1
1 145 . 8 1 1 A 19 19 LEU CA C 17 52.100 56.930 -4.830 1
1 146 . 8 1 1 A 19 19 LEU CB C 17 46.800 42.778 4.022 1
1 150 . 8 1 1 A 19 19 LEU N N 17 127.100 118.736 8.364 1
1 151 . 8 1 1 A 20 20 VAL H H 18 9.170 9.245 -0.075 1
1 152 . 8 1 1 A 20 20 VAL HA H 18 5.710 4.646 1.064 1
1 160 . 8 1 1 A 20 20 VAL C C 18 174.800 174.893 -0.093 1
1 161 . 8 1 1 A 20 20 VAL CA C 18 59.300 62.599 -3.299 1
1 162 . 8 1 1 A 20 20 VAL CB C 18 36.700 31.537 5.163 1
1 165 . 8 1 1 A 20 20 VAL N N 18 115.900 121.782 -5.882 1
1 166 . 8 1 1 A 21 21 ASN H H 19 7.320 9.279 -1.959 1
1 167 . 8 1 1 A 21 21 ASN HA H 19 4.720 5.366 -0.646 1
1 170 . 8 1 1 A 21 21 ASN C C 19 177.700 174.964 2.736 1
1 171 . 8 1 1 A 21 21 ASN CA C 19 49.700 53.624 -3.924 1
1 172 . 8 1 1 A 21 21 ASN CB C 19 37.500 44.880 -7.380 1
1 173 . 8 1 1 A 21 21 ASN N N 19 122.600 130.200 -7.600 1
1 174 . 8 1 1 A 22 22 ASP H H 20 8.240 9.081 -0.841 1
1 175 . 8 1 1 A 22 22 ASP HA H 20 4.400 4.929 -0.529 1
1 178 . 8 1 1 A 22 22 ASP C C 20 176.600 174.594 2.006 1
1 179 . 8 1 1 A 22 22 ASP CA C 20 56.400 61.162 -4.762 1
1 180 . 8 1 1 A 22 22 ASP CB C 20 40.100 34.234 5.866 1
1 181 . 8 1 1 A 22 22 ASP N N 20 117.500 127.432 -9.932 1
1 182 . 8 1 1 A 23 23 GLU H H 21 7.220 8.737 -1.517 1
1 183 . 8 1 1 A 23 23 GLU HA H 21 4.380 5.487 -1.107 1
1 188 . 8 1 1 A 23 23 GLU C C 21 175.500 175.527 -0.027 1
1 189 . 8 1 1 A 23 23 GLU CA C 21 55.600 51.590 4.010 1
1 190 . 8 1 1 A 23 23 GLU CB C 21 29.500 41.059 -11.559 1
1 192 . 8 1 1 A 23 23 GLU N N 21 118.100 126.283 -8.183 1
1 193 . 8 1 1 A 24 24 ASP H H 22 8.030 8.835 -0.805 1
1 194 . 8 1 1 A 24 24 ASP HA H 22 4.280 4.295 -0.015 1
1 197 . 8 1 1 A 24 24 ASP CA C 22 56.200 57.569 -1.369 1
1 198 . 8 1 1 A 24 24 ASP CB C 22 40.000 40.664 -0.664 1
1 199 . 8 1 1 A 24 24 ASP N N 22 115.700 126.444 -10.744 1
1 200 . 8 1 1 A 25 25 GLN H H 23 7.710 7.678 0.032 1
1 201 . 8 1 1 A 25 25 GLN HA H 23 4.270 4.313 -0.043 1
1 206 . 8 1 1 A 25 25 GLN C C 23 175.300 175.050 0.250 1
1 207 . 8 1 1 A 25 25 GLN CA C 23 55.200 55.834 -0.634 1
1 208 . 8 1 1 A 25 25 GLN CB C 23 29.400 29.433 -0.033 1
1 209 . 8 1 1 A 25 25 GLN N N 23 116.800 114.954 1.846 1
1 210 . 8 1 1 A 26 26 HIS H H 24 8.870 7.501 1.369 1
1 211 . 8 1 1 A 26 26 HIS HA H 24 6.030 4.897 1.133 1
1 214 . 8 1 1 A 26 26 HIS CA C 24 54.400 52.871 1.529 1
1 215 . 8 1 1 A 26 26 HIS CB C 24 32.700 43.212 -10.512 1
1 216 . 8 1 1 A 26 26 HIS N N 24 113.400 120.129 -6.729 1
1 219 . 8 1 1 A 27 27 SER CB C 25 66.800 29.550 37.250 1
1 220 . 8 1 1 A 28 28 LEU HA H 26 5.430 4.932 0.498 1
1 230 . 8 1 1 A 28 28 LEU CA C 26 56.100 54.885 1.215 1
1 231 . 8 1 1 A 28 28 LEU CB C 26 43.600 31.587 12.013 1
1 235 . 8 1 1 A 29 29 TRP HA H 27 5.320 5.125 0.195 1
1 242 . 8 1 1 A 29 29 TRP CA C 27 54.100 57.437 -3.337 1
1 243 . 8 1 1 A 29 29 TRP CB C 27 36.000 65.820 -29.820 1
1 248 . 8 1 1 A 30 30 PRO C C 28 177.500 175.324 2.176 1
1 249 . 8 1 1 A 30 30 PRO CA C 28 62.400 54.182 8.218 1
1 250 . 8 1 1 A 30 30 PRO CB C 28 31.700 41.233 -9.533 1
1 253 . 8 1 1 A 31 31 VAL H H 29 7.000 9.190 -2.190 1
1 254 . 8 1 1 A 31 31 VAL HA H 29 3.710 5.355 -1.645 1
1 262 . 8 1 1 A 31 31 VAL CA C 29 63.600 54.888 8.712 1
1 263 . 8 1 1 A 31 31 VAL CB C 29 31.200 31.814 -0.614 1
1 266 . 8 1 1 A 31 31 VAL N N 29 114.100 128.066 -13.966 1
1 270 . 8 1 1 A 33 33 ALA C C 31 177.500 176.525 0.975 1
1 271 . 8 1 1 A 33 33 ALA CA C 31 50.900 63.347 -12.447 1
1 272 . 8 1 1 A 33 33 ALA CB C 31 20.200 31.459 -11.259 1
1 273 . 8 1 1 A 34 34 ASP H H 32 8.830 7.912 0.918 1
1 274 . 8 1 1 A 34 34 ASP HA H 32 4.500 4.535 -0.035 1
1 277 . 8 1 1 A 34 34 ASP C C 32 176.900 174.697 2.203 1
1 278 . 8 1 1 A 34 34 ASP CA C 32 55.200 57.688 -2.488 1
1 279 . 8 1 1 A 34 34 ASP CB C 32 40.400 39.315 1.085 1
1 280 . 8 1 1 A 34 34 ASP N N 32 124.600 122.183 2.417 1
1 281 . 8 1 1 A 35 35 ILE H H 33 8.590 6.974 1.616 1
1 282 . 8 1 1 A 35 35 ILE HA H 33 3.610 4.613 -1.003 1
1 292 . 8 1 1 A 35 35 ILE C C 33 176.100 175.925 0.175 1
1 293 . 8 1 1 A 35 35 ILE CA C 33 58.600 50.161 8.439 1
1 294 . 8 1 1 A 35 35 ILE CB C 33 37.600 21.774 15.826 1
1 298 . 8 1 1 A 35 35 ILE N N 33 125.200 122.163 3.037 1
1 299 . 8 1 1 A 36 36 PRO HA H 34 4.290 4.576 -0.286 1
1 306 . 8 1 1 A 36 36 PRO C C 34 179.400 176.323 3.077 1
1 307 . 8 1 1 A 36 36 PRO CA C 34 62.600 54.668 7.932 1
1 308 . 8 1 1 A 36 36 PRO CB C 34 31.600 40.617 -9.017 1
1 311 . 8 1 1 A 37 37 ALA H H 35 8.300 8.496 -0.196 1
1 312 . 8 1 1 A 37 37 ALA HA H 35 4.190 4.114 0.076 1
1 316 . 8 1 1 A 37 37 ALA CA C 35 53.600 58.975 -5.375 1
1 317 . 8 1 1 A 37 37 ALA CB C 35 18.400 37.763 -19.363 1
1 318 . 8 1 1 A 37 37 ALA N N 35 123.600 124.738 -1.138 1
1 322 . 8 1 1 A 38 38 GLY C C 36 174.000 175.759 -1.759 1
1 323 . 8 1 1 A 38 38 GLY CA C 36 45.000 62.187 -17.187 1
1 324 . 8 1 1 A 38 38 GLY N N 36 110.200 142.196 -31.996 1
1 325 . 8 1 1 A 39 39 TRP H H 37 7.700 8.305 -0.605 1
1 326 . 8 1 1 A 39 39 TRP HA H 37 4.900 4.955 -0.055 1
1 331 . 8 1 1 A 39 39 TRP C C 37 175.000 177.887 -2.887 1
1 332 . 8 1 1 A 39 39 TRP CA C 37 56.000 51.363 4.637 1
1 333 . 8 1 1 A 39 39 TRP CB C 37 31.800 21.220 10.580 1
1 335 . 8 1 1 A 39 39 TRP N N 37 120.800 121.533 -0.733 1
1 337 . 8 1 1 A 40 40 ARG H H 38 9.050 8.649 0.401 1
1 344 . 8 1 1 A 40 40 ARG C C 38 174.900 173.818 1.082 1
1 345 . 8 1 1 A 40 40 ARG CA C 38 54.000 46.310 7.690 1
1 349 . 8 1 1 A 40 40 ARG N N 38 118.200 108.766 9.434 1
1 350 . 8 1 1 A 41 41 VAL H H 39 8.660 7.427 1.233 1
1 351 . 8 1 1 A 41 41 VAL HA H 39 4.040 5.273 -1.233 1
1 359 . 8 1 1 A 41 41 VAL C C 39 178.000 175.256 2.744 1
1 360 . 8 1 1 A 41 41 VAL CA C 39 63.800 54.846 8.954 1
1 361 . 8 1 1 A 41 41 VAL CB C 39 32.400 32.884 -0.484 1
1 364 . 8 1 1 A 41 41 VAL N N 39 122.700 118.230 4.470 1
1 365 . 8 1 1 A 42 42 VAL H H 40 9.090 9.080 0.010 1
1 366 . 8 1 1 A 42 42 VAL HA H 40 4.740 5.000 -0.260 1
1 374 . 8 1 1 A 42 42 VAL C C 40 174.800 175.515 -0.715 1
1 375 . 8 1 1 A 42 42 VAL CA C 40 61.000 54.397 6.603 1
1 376 . 8 1 1 A 42 42 VAL CB C 40 34.100 33.733 0.367 1
1 379 . 8 1 1 A 42 42 VAL N N 40 119.800 119.870 -0.070 1
1 380 . 8 1 1 A 43 43 HIS H H 41 7.700 9.155 -1.455 1
1 381 . 8 1 1 A 43 43 HIS HA H 41 4.530 4.264 0.266 1
1 384 . 8 1 1 A 43 43 HIS C C 41 173.400 175.752 -2.352 1
1 385 . 8 1 1 A 43 43 HIS CA C 41 57.500 63.394 -5.894 1
1 386 . 8 1 1 A 43 43 HIS CB C 41 32.800 31.515 1.285 1
1 387 . 8 1 1 A 43 43 HIS N N 41 119.700 124.488 -4.788 1
1 388 . 8 1 1 A 44 44 GLY H H 42 7.590 9.076 -1.486 1
1 391 . 8 1 1 A 44 44 GLY C C 42 174.600 175.862 -1.262 1
1 392 . 8 1 1 A 44 44 GLY CA C 42 42.400 63.592 -21.192 1
1 393 . 8 1 1 A 44 44 GLY N N 42 112.000 128.526 -16.526 1
1 394 . 8 1 1 A 45 45 GLU H H 43 8.700 7.175 1.525 1
1 395 . 8 1 1 A 45 45 GLU HA H 43 4.120 4.714 -0.594 1
1 400 . 8 1 1 A 45 45 GLU C C 43 175.200 173.305 1.895 1
1 401 . 8 1 1 A 45 45 GLU CA C 43 56.900 55.567 1.333 1
1 402 . 8 1 1 A 45 45 GLU CB C 43 30.900 32.642 -1.742 1
1 404 . 8 1 1 A 45 45 GLU N N 43 121.700 117.883 3.817 1
1 405 . 8 1 1 A 46 46 ALA H H 44 9.400 8.221 1.179 1
1 409 . 8 1 1 A 46 46 ALA C C 44 175.100 172.725 2.375 1
1 410 . 8 1 1 A 46 46 ALA CA C 44 51.100 43.832 7.268 1
1 412 . 8 1 1 A 46 46 ALA N N 44 127.000 112.374 14.626 1
1 413 . 8 1 1 A 47 47 SER H H 45 8.710 7.896 0.814 1
1 414 . 8 1 1 A 47 47 SER HA H 45 4.730 5.083 -0.353 1
1 417 . 8 1 1 A 47 47 SER C C 45 175.000 176.035 -1.035 1
1 418 . 8 1 1 A 47 47 SER CA C 45 57.900 55.466 2.434 1
1 419 . 8 1 1 A 47 47 SER CB C 45 64.900 29.708 35.192 1
1 420 . 8 1 1 A 47 47 SER N N 45 115.300 118.113 -2.813 1
1 421 . 8 1 1 A 48 48 ARG H H 46 9.520 8.356 1.164 1
1 422 . 8 1 1 A 48 48 ARG HA H 46 3.390 5.041 -1.651 1
1 429 . 8 1 1 A 48 48 ARG C C 46 178.300 176.470 1.830 1
1 430 . 8 1 1 A 48 48 ARG CA C 46 61.000 50.111 10.889 1
1 431 . 8 1 1 A 48 48 ARG CB C 46 30.100 23.043 7.057 1
1 434 . 8 1 1 A 48 48 ARG N N 46 123.400 127.764 -4.364 1
1 435 . 8 1 1 A 49 49 ALA H H 47 8.620 8.733 -0.113 1
1 436 . 8 1 1 A 49 49 ALA HA H 47 3.970 4.419 -0.449 1
1 440 . 8 1 1 A 49 49 ALA C C 47 180.500 175.692 4.808 1
1 441 . 8 1 1 A 49 49 ALA CA C 47 55.400 58.602 -3.202 1
1 442 . 8 1 1 A 49 49 ALA CB C 47 18.200 63.857 -45.657 1
1 443 . 8 1 1 A 49 49 ALA N N 47 118.800 114.981 3.819 1
1 444 . 8 1 1 A 50 50 ALA H H 48 8.130 9.027 -0.897 1
1 445 . 8 1 1 A 50 50 ALA HA H 48 4.260 3.527 0.733 1
1 449 . 8 1 1 A 50 50 ALA C C 48 182.500 178.004 4.496 1
1 450 . 8 1 1 A 50 50 ALA CA C 48 54.900 59.775 -4.875 1
1 451 . 8 1 1 A 50 50 ALA CB C 48 19.100 29.431 -10.331 1
1 452 . 8 1 1 A 50 50 ALA N N 48 122.100 126.967 -4.867 1
1 453 . 8 1 1 A 51 51 CYS H H 49 8.530 8.127 0.403 1
1 454 . 8 1 1 A 51 51 CYS HA H 49 4.070 4.090 -0.020 1
1 457 . 8 1 1 A 51 51 CYS C C 49 176.800 180.078 -3.278 1
1 458 . 8 1 1 A 51 51 CYS CA C 49 65.000 55.000 10.000 1
1 459 . 8 1 1 A 51 51 CYS CB C 49 27.100 17.824 9.276 1
1 460 . 8 1 1 A 51 51 CYS N N 49 119.000 120.767 -1.767 1
1 461 . 8 1 1 A 52 52 LEU H H 50 8.660 8.202 0.458 1
1 462 . 8 1 1 A 52 52 LEU HA H 50 3.990 3.996 -0.006 1
1 472 . 8 1 1 A 52 52 LEU C C 50 179.800 179.393 0.407 1
1 473 . 8 1 1 A 52 52 LEU CA C 50 58.200 55.030 3.170 1
1 474 . 8 1 1 A 52 52 LEU CB C 50 41.000 18.036 22.964 1
1 478 . 8 1 1 A 52 52 LEU N N 50 121.100 119.750 1.350 1
1 479 . 8 1 1 A 53 53 ASP H H 51 8.020 8.242 -0.222 1
1 480 . 8 1 1 A 53 53 ASP HA H 51 4.370 4.001 0.369 1
1 483 . 8 1 1 A 53 53 ASP C C 51 177.500 177.155 0.345 1
1 484 . 8 1 1 A 53 53 ASP CA C 51 57.500 64.061 -6.561 1
1 485 . 8 1 1 A 53 53 ASP CB C 51 41.500 27.282 14.218 1
1 486 . 8 1 1 A 53 53 ASP N N 51 120.300 116.074 4.226 1
1 487 . 8 1 1 A 54 54 TYR H H 52 7.760 8.594 -0.834 1
1 488 . 8 1 1 A 54 54 TYR HA H 52 3.770 3.927 -0.157 1
1 495 . 8 1 1 A 54 54 TYR C C 52 179.000 178.387 0.613 1
1 496 . 8 1 1 A 54 54 TYR CA C 52 62.300 58.053 4.247 1
1 497 . 8 1 1 A 54 54 TYR CB C 52 37.700 41.347 -3.647 1
1 502 . 8 1 1 A 54 54 TYR N N 52 119.700 120.359 -0.659 1
1 503 . 8 1 1 A 55 55 VAL H H 53 8.250 8.625 -0.375 1
1 504 . 8 1 1 A 55 55 VAL HA H 53 3.580 4.238 -0.658 1
1 512 . 8 1 1 A 55 55 VAL C C 53 177.700 177.700 0.000 1
1 513 . 8 1 1 A 55 55 VAL CA C 53 66.800 57.099 9.701 1
1 514 . 8 1 1 A 55 55 VAL CB C 53 31.900 41.611 -9.711 1
1 517 . 8 1 1 A 55 55 VAL N N 53 120.200 119.104 1.096 1
1 518 . 8 1 1 A 56 56 GLU H H 54 8.170 8.276 -0.106 1
1 519 . 8 1 1 A 56 56 GLU HA H 54 4.010 4.124 -0.114 1
1 524 . 8 1 1 A 56 56 GLU C C 54 178.700 177.570 1.130 1
1 525 . 8 1 1 A 56 56 GLU CA C 54 59.200 61.360 -2.160 1
1 526 . 8 1 1 A 56 56 GLU CB C 54 29.600 38.502 -8.902 1
1 528 . 8 1 1 A 56 56 GLU N N 54 119.600 120.563 -0.963 1
1 529 . 8 1 1 A 57 57 LYS H H 55 7.800 8.275 -0.475 1
1 530 . 8 1 1 A 57 57 LYS HA H 55 4.040 3.521 0.519 1
1 539 . 8 1 1 A 57 57 LYS C C 55 177.900 177.914 -0.014 1
1 540 . 8 1 1 A 57 57 LYS CA C 55 57.900 66.065 -8.165 1
1 541 . 8 1 1 A 57 57 LYS CB C 55 33.300 31.383 1.917 1
1 545 . 8 1 1 A 57 57 LYS N N 55 115.700 119.005 -3.305 1
1 546 . 8 1 1 A 58 58 ASN H H 56 7.570 8.151 -0.581 1
1 547 . 8 1 1 A 58 58 ASN HA H 56 4.490 4.064 0.426 1
1 552 . 8 1 1 A 58 58 ASN C C 56 174.300 179.027 -4.727 1
1 553 . 8 1 1 A 58 58 ASN CA C 56 54.700 59.405 -4.705 1
1 554 . 8 1 1 A 58 58 ASN CB C 56 40.100 29.449 10.651 1
1 555 . 8 1 1 A 58 58 ASN N N 56 115.000 121.781 -6.781 1
1 557 . 8 1 1 A 59 59 TRP H H 57 8.120 8.023 0.097 1
1 562 . 8 1 1 A 59 59 TRP CA C 57 57.800 58.616 -0.816 1
1 563 . 8 1 1 A 59 59 TRP CB C 57 29.800 32.261 -2.461 1
1 564 . 8 1 1 A 59 59 TRP N N 57 121.400 119.025 2.375 1
1 566 . 8 1 1 A 64 64 PRO HA H 62 4.410 4.654 -0.244 1
1 571 . 8 1 1 A 64 64 PRO C C 62 176.200 175.975 0.225 1
1 572 . 8 1 1 A 64 64 PRO CA C 62 63.300 54.167 9.133 1
1 573 . 8 1 1 A 64 64 PRO CB C 62 32.100 41.867 -9.767 1
1 576 . 8 1 1 A 65 65 LYS H H 63 8.030 8.129 -0.099 1
1 577 . 8 1 1 A 65 65 LYS HA H 63 4.130 4.858 -0.728 1
1 580 . 8 1 1 A 65 65 LYS CA C 63 57.700 53.921 3.779 1
1 581 . 8 1 1 A 65 65 LYS CB C 63 33.600 30.932 2.668 1
1 3 . 9 1 1 A 4 4 MET H H 2 8.430 8.283 0.147 1
1 7 . 9 1 1 A 4 4 MET C C 2 176.000 173.363 2.637 1
1 8 . 9 1 1 A 4 4 MET CA C 2 55.400 58.257 -2.857 1
1 9 . 9 1 1 A 4 4 MET CB C 2 32.900 63.334 -30.434 1
1 11 . 9 1 1 A 4 4 MET N N 2 120.500 114.389 6.111 1
1 12 . 9 1 1 A 5 5 SER H H 3 8.400 7.859 0.541 1
1 13 . 9 1 1 A 5 5 SER HA H 3 4.500 4.166 0.334 1
1 16 . 9 1 1 A 5 5 SER C C 3 174.700 173.458 1.242 1
1 17 . 9 1 1 A 5 5 SER CA C 3 58.400 56.895 1.505 1
1 18 . 9 1 1 A 5 5 SER CB C 3 63.800 26.651 37.149 1
1 19 . 9 1 1 A 5 5 SER N N 3 117.300 116.559 0.741 1
1 20 . 9 1 1 A 6 6 THR H H 4 8.210 7.945 0.265 1
1 21 . 9 1 1 A 6 6 THR HA H 4 4.330 4.806 -0.476 1
1 26 . 9 1 1 A 6 6 THR C C 4 174.000 175.203 -1.203 1
1 27 . 9 1 1 A 6 6 THR CA C 4 61.900 53.303 8.597 1
1 28 . 9 1 1 A 6 6 THR CB C 4 69.900 34.804 35.096 1
1 30 . 9 1 1 A 6 6 THR N N 4 115.400 116.635 -1.235 1
1 31 . 9 1 1 A 7 7 ASN H H 5 8.440 8.681 -0.241 1
1 32 . 9 1 1 A 7 7 ASN HA H 5 4.950 4.969 -0.019 1
1 37 . 9 1 1 A 7 7 ASN CA C 5 50.900 58.066 -7.166 1
1 38 . 9 1 1 A 7 7 ASN CB C 5 39.000 64.591 -25.591 1
1 39 . 9 1 1 A 7 7 ASN N N 5 121.600 120.380 1.220 1
1 41 . 9 1 1 A 8 8 PRO HA H 6 4.310 4.783 -0.473 1
1 48 . 9 1 1 A 8 8 PRO C C 6 177.100 173.482 3.618 1
1 49 . 9 1 1 A 8 8 PRO CA C 6 64.000 61.706 2.294 1
1 50 . 9 1 1 A 8 8 PRO CB C 6 32.100 70.062 -37.962 1
1 53 . 9 1 1 A 9 9 PHE H H 7 8.020 8.833 -0.813 1
1 54 . 9 1 1 A 9 9 PHE HA H 7 4.480 5.352 -0.872 1
1 59 . 9 1 1 A 9 9 PHE CA C 7 58.300 49.625 8.675 1
1 60 . 9 1 1 A 9 9 PHE CB C 7 38.800 38.950 -0.150 1
1 63 . 9 1 1 A 9 9 PHE N N 7 117.200 125.574 -8.374 1
1 64 . 9 1 1 A 12 12 ASP C C 10 176.700 174.807 1.893 1
1 65 . 9 1 1 A 12 12 ASP CA C 10 54.800 52.340 2.460 1
1 66 . 9 1 1 A 12 12 ASP CB C 10 41.000 45.554 -4.554 1
1 67 . 9 1 1 A 13 13 ASN H H 11 8.490 8.730 -0.240 1
1 70 . 9 1 1 A 13 13 ASN C C 11 175.700 176.409 -0.709 1
1 71 . 9 1 1 A 13 13 ASN CA C 11 53.400 53.277 0.123 1
1 72 . 9 1 1 A 13 13 ASN CB C 11 39.200 39.435 -0.235 1
1 73 . 9 1 1 A 13 13 ASN N N 11 118.500 120.165 -1.665 1
1 75 . 9 1 1 A 14 14 GLY H H 12 8.200 8.029 0.171 1
1 78 . 9 1 1 A 14 14 GLY C C 12 172.200 176.059 -3.859 1
1 79 . 9 1 1 A 14 14 GLY CA C 12 45.200 53.437 -8.237 1
1 80 . 9 1 1 A 14 14 GLY N N 12 108.500 121.325 -12.825 1
1 81 . 9 1 1 A 15 15 ALA H H 13 7.670 7.878 -0.208 1
1 82 . 9 1 1 A 15 15 ALA HA H 13 4.600 4.723 -0.123 1
1 86 . 9 1 1 A 15 15 ALA C C 13 176.500 175.408 1.092 1
1 87 . 9 1 1 A 15 15 ALA CA C 13 51.400 52.613 -1.213 1
1 88 . 9 1 1 A 15 15 ALA CB C 13 21.000 38.337 -17.337 1
1 89 . 9 1 1 A 15 15 ALA N N 13 122.600 120.004 2.596 1
1 90 . 9 1 1 A 16 16 PHE H H 14 9.350 8.546 0.804 1
1 98 . 9 1 1 A 16 16 PHE C C 14 174.300 172.975 1.325 1
1 99 . 9 1 1 A 16 16 PHE CA C 14 57.600 46.199 11.401 1
1 105 . 9 1 1 A 16 16 PHE N N 14 120.000 115.181 4.819 1
1 106 . 9 1 1 A 17 17 PHE H H 15 9.550 8.013 1.537 1
1 107 . 9 1 1 A 17 17 PHE HA H 15 5.600 4.622 0.978 1
1 112 . 9 1 1 A 17 17 PHE C C 15 177.700 175.587 2.113 1
1 113 . 9 1 1 A 17 17 PHE CA C 15 55.900 50.926 4.974 1
1 114 . 9 1 1 A 17 17 PHE CB C 15 44.100 23.195 20.905 1
1 117 . 9 1 1 A 17 17 PHE N N 15 115.700 123.312 -7.612 1
1 118 . 9 1 1 A 18 18 VAL H H 16 8.670 8.467 0.203 1
1 119 . 9 1 1 A 18 18 VAL HA H 16 4.220 5.772 -1.552 1
1 127 . 9 1 1 A 18 18 VAL C C 16 175.200 172.780 2.420 1
1 128 . 9 1 1 A 18 18 VAL CA C 16 62.700 55.891 6.809 1
1 129 . 9 1 1 A 18 18 VAL CB C 16 32.700 42.805 -10.105 1
1 132 . 9 1 1 A 18 18 VAL N N 16 117.200 116.330 0.870 1
1 133 . 9 1 1 A 19 19 LEU H H 17 9.500 9.832 -0.332 1
1 134 . 9 1 1 A 19 19 LEU HA H 17 5.730 5.325 0.405 1
1 144 . 9 1 1 A 19 19 LEU C C 17 176.700 175.411 1.289 1
1 145 . 9 1 1 A 19 19 LEU CA C 17 52.100 56.787 -4.687 1
1 146 . 9 1 1 A 19 19 LEU CB C 17 46.800 42.825 3.975 1
1 150 . 9 1 1 A 19 19 LEU N N 17 127.100 118.739 8.361 1
1 151 . 9 1 1 A 20 20 VAL H H 18 9.170 9.383 -0.213 1
1 152 . 9 1 1 A 20 20 VAL HA H 18 5.710 4.618 1.092 1
1 160 . 9 1 1 A 20 20 VAL C C 18 174.800 174.937 -0.137 1
1 161 . 9 1 1 A 20 20 VAL CA C 18 59.300 62.713 -3.413 1
1 162 . 9 1 1 A 20 20 VAL CB C 18 36.700 31.278 5.422 1
1 165 . 9 1 1 A 20 20 VAL N N 18 115.900 121.906 -6.006 1
1 166 . 9 1 1 A 21 21 ASN H H 19 7.320 9.425 -2.105 1
1 167 . 9 1 1 A 21 21 ASN HA H 19 4.720 5.386 -0.666 1
1 170 . 9 1 1 A 21 21 ASN C C 19 177.700 174.852 2.848 1
1 171 . 9 1 1 A 21 21 ASN CA C 19 49.700 53.719 -4.019 1
1 172 . 9 1 1 A 21 21 ASN CB C 19 37.500 44.852 -7.352 1
1 173 . 9 1 1 A 21 21 ASN N N 19 122.600 130.117 -7.517 1
1 174 . 9 1 1 A 22 22 ASP H H 20 8.240 9.337 -1.097 1
1 175 . 9 1 1 A 22 22 ASP HA H 20 4.400 4.776 -0.376 1
1 178 . 9 1 1 A 22 22 ASP C C 20 176.600 173.849 2.751 1
1 179 . 9 1 1 A 22 22 ASP CA C 20 56.400 60.790 -4.390 1
1 180 . 9 1 1 A 22 22 ASP CB C 20 40.100 34.983 5.117 1
1 181 . 9 1 1 A 22 22 ASP N N 20 117.500 127.480 -9.980 1
1 182 . 9 1 1 A 23 23 GLU H H 21 7.220 8.961 -1.741 1
1 183 . 9 1 1 A 23 23 GLU HA H 21 4.380 5.180 -0.800 1
1 188 . 9 1 1 A 23 23 GLU C C 21 175.500 176.421 -0.921 1
1 189 . 9 1 1 A 23 23 GLU CA C 21 55.600 52.233 3.367 1
1 190 . 9 1 1 A 23 23 GLU CB C 21 29.500 40.925 -11.425 1
1 192 . 9 1 1 A 23 23 GLU N N 21 118.100 125.659 -7.559 1
1 193 . 9 1 1 A 24 24 ASP H H 22 8.030 8.928 -0.898 1
1 194 . 9 1 1 A 24 24 ASP HA H 22 4.280 4.407 -0.127 1
1 197 . 9 1 1 A 24 24 ASP CA C 22 56.200 55.890 0.310 1
1 198 . 9 1 1 A 24 24 ASP CB C 22 40.000 39.960 0.040 1
1 199 . 9 1 1 A 24 24 ASP N N 22 115.700 124.200 -8.500 1
1 200 . 9 1 1 A 25 25 GLN H H 23 7.710 7.784 -0.074 1
1 201 . 9 1 1 A 25 25 GLN HA H 23 4.270 4.463 -0.193 1
1 206 . 9 1 1 A 25 25 GLN C C 23 175.300 174.872 0.428 1
1 207 . 9 1 1 A 25 25 GLN CA C 23 55.200 55.900 -0.700 1
1 208 . 9 1 1 A 25 25 GLN CB C 23 29.400 30.035 -0.635 1
1 209 . 9 1 1 A 25 25 GLN N N 23 116.800 117.684 -0.884 1
1 210 . 9 1 1 A 26 26 HIS H H 24 8.870 7.995 0.875 1
1 211 . 9 1 1 A 26 26 HIS HA H 24 6.030 4.969 1.061 1
1 214 . 9 1 1 A 26 26 HIS CA C 24 54.400 52.584 1.816 1
1 215 . 9 1 1 A 26 26 HIS CB C 24 32.700 43.866 -11.166 1
1 216 . 9 1 1 A 26 26 HIS N N 24 113.400 121.213 -7.813 1
1 219 . 9 1 1 A 27 27 SER CB C 25 66.800 31.345 35.455 1
1 220 . 9 1 1 A 28 28 LEU HA H 26 5.430 5.121 0.309 1
1 230 . 9 1 1 A 28 28 LEU CA C 26 56.100 54.851 1.249 1
1 231 . 9 1 1 A 28 28 LEU CB C 26 43.600 31.671 11.929 1
1 235 . 9 1 1 A 29 29 TRP HA H 27 5.320 5.149 0.171 1
1 242 . 9 1 1 A 29 29 TRP CA C 27 54.100 57.784 -3.684 1
1 243 . 9 1 1 A 29 29 TRP CB C 27 36.000 66.304 -30.304 1
1 248 . 9 1 1 A 30 30 PRO C C 28 177.500 175.391 2.109 1
1 249 . 9 1 1 A 30 30 PRO CA C 28 62.400 54.143 8.257 1
1 250 . 9 1 1 A 30 30 PRO CB C 28 31.700 41.557 -9.857 1
1 253 . 9 1 1 A 31 31 VAL H H 29 7.000 9.335 -2.335 1
1 254 . 9 1 1 A 31 31 VAL HA H 29 3.710 5.420 -1.710 1
1 262 . 9 1 1 A 31 31 VAL CA C 29 63.600 54.997 8.603 1
1 263 . 9 1 1 A 31 31 VAL CB C 29 31.200 31.485 -0.285 1
1 266 . 9 1 1 A 31 31 VAL N N 29 114.100 127.909 -13.809 1
1 270 . 9 1 1 A 33 33 ALA C C 31 177.500 177.547 -0.047 1
1 271 . 9 1 1 A 33 33 ALA CA C 31 50.900 63.587 -12.687 1
1 272 . 9 1 1 A 33 33 ALA CB C 31 20.200 31.536 -11.336 1
1 273 . 9 1 1 A 34 34 ASP H H 32 8.830 7.817 1.013 1
1 274 . 9 1 1 A 34 34 ASP HA H 32 4.500 4.085 0.415 1
1 277 . 9 1 1 A 34 34 ASP C C 32 176.900 174.771 2.129 1
1 278 . 9 1 1 A 34 34 ASP CA C 32 55.200 61.645 -6.445 1
1 279 . 9 1 1 A 34 34 ASP CB C 32 40.400 39.400 1.000 1
1 280 . 9 1 1 A 34 34 ASP N N 32 124.600 122.500 2.100 1
1 281 . 9 1 1 A 35 35 ILE H H 33 8.590 7.101 1.489 1
1 282 . 9 1 1 A 35 35 ILE HA H 33 3.610 4.379 -0.769 1
1 292 . 9 1 1 A 35 35 ILE C C 33 176.100 176.285 -0.185 1
1 293 . 9 1 1 A 35 35 ILE CA C 33 58.600 50.337 8.263 1
1 294 . 9 1 1 A 35 35 ILE CB C 33 37.600 20.857 16.743 1
1 298 . 9 1 1 A 35 35 ILE N N 33 125.200 118.636 6.564 1
1 299 . 9 1 1 A 36 36 PRO HA H 34 4.290 4.740 -0.450 1
1 306 . 9 1 1 A 36 36 PRO C C 34 179.400 176.641 2.759 1
1 307 . 9 1 1 A 36 36 PRO CA C 34 62.600 54.042 8.558 1
1 308 . 9 1 1 A 36 36 PRO CB C 34 31.600 41.834 -10.234 1
1 311 . 9 1 1 A 37 37 ALA H H 35 8.300 8.410 -0.110 1
1 312 . 9 1 1 A 37 37 ALA HA H 35 4.190 4.093 0.097 1
1 316 . 9 1 1 A 37 37 ALA CA C 35 53.600 59.982 -6.382 1
1 317 . 9 1 1 A 37 37 ALA CB C 35 18.400 38.093 -19.693 1
1 318 . 9 1 1 A 37 37 ALA N N 35 123.600 125.038 -1.438 1
1 322 . 9 1 1 A 38 38 GLY C C 36 174.000 176.095 -2.095 1
1 323 . 9 1 1 A 38 38 GLY CA C 36 45.000 62.185 -17.185 1
1 324 . 9 1 1 A 38 38 GLY N N 36 110.200 141.518 -31.318 1
1 325 . 9 1 1 A 39 39 TRP H H 37 7.700 8.300 -0.600 1
1 326 . 9 1 1 A 39 39 TRP HA H 37 4.900 4.782 0.118 1
1 331 . 9 1 1 A 39 39 TRP C C 37 175.000 178.094 -3.094 1
1 332 . 9 1 1 A 39 39 TRP CA C 37 56.000 52.045 3.955 1
1 333 . 9 1 1 A 39 39 TRP CB C 37 31.800 20.654 11.146 1
1 335 . 9 1 1 A 39 39 TRP N N 37 120.800 123.250 -2.450 1
1 337 . 9 1 1 A 40 40 ARG H H 38 9.050 8.744 0.306 1
1 344 . 9 1 1 A 40 40 ARG C C 38 174.900 174.035 0.865 1
1 345 . 9 1 1 A 40 40 ARG CA C 38 54.000 46.325 7.675 1
1 349 . 9 1 1 A 40 40 ARG N N 38 118.200 108.623 9.577 1
1 350 . 9 1 1 A 41 41 VAL H H 39 8.660 7.472 1.188 1
1 351 . 9 1 1 A 41 41 VAL HA H 39 4.040 4.876 -0.836 1
1 359 . 9 1 1 A 41 41 VAL C C 39 178.000 174.700 3.300 1
1 360 . 9 1 1 A 41 41 VAL CA C 39 63.800 55.625 8.175 1
1 361 . 9 1 1 A 41 41 VAL CB C 39 32.400 32.593 -0.193 1
1 364 . 9 1 1 A 41 41 VAL N N 39 122.700 118.985 3.715 1
1 365 . 9 1 1 A 42 42 VAL H H 40 9.090 8.728 0.362 1
1 366 . 9 1 1 A 42 42 VAL HA H 40 4.740 4.852 -0.112 1
1 374 . 9 1 1 A 42 42 VAL C C 40 174.800 174.408 0.392 1
1 375 . 9 1 1 A 42 42 VAL CA C 40 61.000 55.132 5.868 1
1 376 . 9 1 1 A 42 42 VAL CB C 40 34.100 34.003 0.097 1
1 379 . 9 1 1 A 42 42 VAL N N 40 119.800 120.611 -0.811 1
1 380 . 9 1 1 A 43 43 HIS H H 41 7.700 9.173 -1.473 1
1 381 . 9 1 1 A 43 43 HIS HA H 41 4.530 4.481 0.049 1
1 384 . 9 1 1 A 43 43 HIS C C 41 173.400 175.678 -2.278 1
1 385 . 9 1 1 A 43 43 HIS CA C 41 57.500 63.132 -5.632 1
1 386 . 9 1 1 A 43 43 HIS CB C 41 32.800 31.789 1.011 1
1 387 . 9 1 1 A 43 43 HIS N N 41 119.700 127.447 -7.747 1
1 388 . 9 1 1 A 44 44 GLY H H 42 7.590 9.190 -1.600 1
1 391 . 9 1 1 A 44 44 GLY C C 42 174.600 175.917 -1.317 1
1 392 . 9 1 1 A 44 44 GLY CA C 42 42.400 63.827 -21.427 1
1 393 . 9 1 1 A 44 44 GLY N N 42 112.000 128.563 -16.563 1
1 394 . 9 1 1 A 45 45 GLU H H 43 8.700 7.693 1.007 1
1 395 . 9 1 1 A 45 45 GLU HA H 43 4.120 4.728 -0.608 1
1 400 . 9 1 1 A 45 45 GLU C C 43 175.200 173.228 1.972 1
1 401 . 9 1 1 A 45 45 GLU CA C 43 56.900 55.364 1.536 1
1 402 . 9 1 1 A 45 45 GLU CB C 43 30.900 32.681 -1.781 1
1 404 . 9 1 1 A 45 45 GLU N N 43 121.700 117.210 4.490 1
1 405 . 9 1 1 A 46 46 ALA H H 44 9.400 8.245 1.155 1
1 409 . 9 1 1 A 46 46 ALA C C 44 175.100 172.610 2.490 1
1 410 . 9 1 1 A 46 46 ALA CA C 44 51.100 43.767 7.333 1
1 412 . 9 1 1 A 46 46 ALA N N 44 127.000 112.056 14.944 1
1 413 . 9 1 1 A 47 47 SER H H 45 8.710 7.933 0.777 1
1 414 . 9 1 1 A 47 47 SER HA H 45 4.730 5.073 -0.343 1
1 417 . 9 1 1 A 47 47 SER C C 45 175.000 176.038 -1.038 1
1 418 . 9 1 1 A 47 47 SER CA C 45 57.900 55.533 2.367 1
1 419 . 9 1 1 A 47 47 SER CB C 45 64.900 29.600 35.300 1
1 420 . 9 1 1 A 47 47 SER N N 45 115.300 118.766 -3.466 1
1 421 . 9 1 1 A 48 48 ARG H H 46 9.520 8.275 1.245 1
1 422 . 9 1 1 A 48 48 ARG HA H 46 3.390 5.195 -1.805 1
1 429 . 9 1 1 A 48 48 ARG C C 46 178.300 176.897 1.403 1
1 430 . 9 1 1 A 48 48 ARG CA C 46 61.000 50.228 10.772 1
1 431 . 9 1 1 A 48 48 ARG CB C 46 30.100 23.266 6.834 1
1 434 . 9 1 1 A 48 48 ARG N N 46 123.400 126.523 -3.123 1
1 435 . 9 1 1 A 49 49 ALA H H 47 8.620 8.492 0.128 1
1 436 . 9 1 1 A 49 49 ALA HA H 47 3.970 4.579 -0.609 1
1 440 . 9 1 1 A 49 49 ALA C C 47 180.500 174.953 5.547 1
1 441 . 9 1 1 A 49 49 ALA CA C 47 55.400 60.271 -4.871 1
1 442 . 9 1 1 A 49 49 ALA CB C 47 18.200 63.813 -45.613 1
1 443 . 9 1 1 A 49 49 ALA N N 47 118.800 115.535 3.265 1
1 444 . 9 1 1 A 50 50 ALA H H 48 8.130 8.895 -0.765 1
1 445 . 9 1 1 A 50 50 ALA HA H 48 4.260 3.453 0.807 1
1 449 . 9 1 1 A 50 50 ALA C C 48 182.500 178.047 4.453 1
1 450 . 9 1 1 A 50 50 ALA CA C 48 54.900 59.790 -4.890 1
1 451 . 9 1 1 A 50 50 ALA CB C 48 19.100 29.510 -10.410 1
1 452 . 9 1 1 A 50 50 ALA N N 48 122.100 125.944 -3.844 1
1 453 . 9 1 1 A 51 51 CYS H H 49 8.530 8.072 0.458 1
1 454 . 9 1 1 A 51 51 CYS HA H 49 4.070 4.043 0.027 1
1 457 . 9 1 1 A 51 51 CYS C C 49 176.800 180.082 -3.282 1
1 458 . 9 1 1 A 51 51 CYS CA C 49 65.000 54.852 10.148 1
1 459 . 9 1 1 A 51 51 CYS CB C 49 27.100 18.147 8.953 1
1 460 . 9 1 1 A 51 51 CYS N N 49 119.000 120.384 -1.384 1
1 461 . 9 1 1 A 52 52 LEU H H 50 8.660 7.675 0.985 1
1 462 . 9 1 1 A 52 52 LEU HA H 50 3.990 4.143 -0.153 1
1 472 . 9 1 1 A 52 52 LEU C C 50 179.800 179.525 0.275 1
1 473 . 9 1 1 A 52 52 LEU CA C 50 58.200 54.830 3.370 1
1 474 . 9 1 1 A 52 52 LEU CB C 50 41.000 18.340 22.660 1
1 478 . 9 1 1 A 52 52 LEU N N 50 121.100 119.390 1.710 1
1 479 . 9 1 1 A 53 53 ASP H H 51 8.020 8.076 -0.056 1
1 480 . 9 1 1 A 53 53 ASP HA H 51 4.370 3.933 0.437 1
1 483 . 9 1 1 A 53 53 ASP C C 51 177.500 176.973 0.527 1
1 484 . 9 1 1 A 53 53 ASP CA C 51 57.500 63.743 -6.243 1
1 485 . 9 1 1 A 53 53 ASP CB C 51 41.500 27.273 14.227 1
1 486 . 9 1 1 A 53 53 ASP N N 51 120.300 115.899 4.401 1
1 487 . 9 1 1 A 54 54 TYR H H 52 7.760 8.404 -0.644 1
1 488 . 9 1 1 A 54 54 TYR HA H 52 3.770 3.683 0.087 1
1 495 . 9 1 1 A 54 54 TYR C C 52 179.000 178.232 0.768 1
1 496 . 9 1 1 A 54 54 TYR CA C 52 62.300 58.025 4.275 1
1 497 . 9 1 1 A 54 54 TYR CB C 52 37.700 41.450 -3.750 1
1 502 . 9 1 1 A 54 54 TYR N N 52 119.700 120.284 -0.584 1
1 503 . 9 1 1 A 55 55 VAL H H 53 8.250 8.396 -0.146 1
1 504 . 9 1 1 A 55 55 VAL HA H 53 3.580 4.166 -0.586 1
1 512 . 9 1 1 A 55 55 VAL C C 53 177.700 177.530 0.170 1
1 513 . 9 1 1 A 55 55 VAL CA C 53 66.800 57.136 9.664 1
1 514 . 9 1 1 A 55 55 VAL CB C 53 31.900 41.865 -9.965 1
1 517 . 9 1 1 A 55 55 VAL N N 53 120.200 118.859 1.341 1
1 518 . 9 1 1 A 56 56 GLU H H 54 8.170 8.183 -0.013 1
1 519 . 9 1 1 A 56 56 GLU HA H 54 4.010 4.024 -0.014 1
1 524 . 9 1 1 A 56 56 GLU C C 54 178.700 177.529 1.171 1
1 525 . 9 1 1 A 56 56 GLU CA C 54 59.200 61.170 -1.970 1
1 526 . 9 1 1 A 56 56 GLU CB C 54 29.600 38.610 -9.010 1
1 528 . 9 1 1 A 56 56 GLU N N 54 119.600 120.654 -1.054 1
1 529 . 9 1 1 A 57 57 LYS H H 55 7.800 7.926 -0.126 1
1 530 . 9 1 1 A 57 57 LYS HA H 55 4.040 2.790 1.250 1
1 539 . 9 1 1 A 57 57 LYS C C 55 177.900 177.517 0.383 1
1 540 . 9 1 1 A 57 57 LYS CA C 55 57.900 65.580 -7.680 1
1 541 . 9 1 1 A 57 57 LYS CB C 55 33.300 30.956 2.344 1
1 545 . 9 1 1 A 57 57 LYS N N 55 115.700 118.759 -3.059 1
1 546 . 9 1 1 A 58 58 ASN H H 56 7.570 8.050 -0.480 1
1 547 . 9 1 1 A 58 58 ASN HA H 56 4.490 3.744 0.746 1
1 552 . 9 1 1 A 58 58 ASN C C 56 174.300 179.143 -4.843 1
1 553 . 9 1 1 A 58 58 ASN CA C 56 54.700 59.202 -4.502 1
1 554 . 9 1 1 A 58 58 ASN CB C 56 40.100 28.901 11.199 1
1 555 . 9 1 1 A 58 58 ASN N N 56 115.000 121.403 -6.403 1
1 557 . 9 1 1 A 59 59 TRP H H 57 8.120 7.827 0.293 1
1 562 . 9 1 1 A 59 59 TRP CA C 57 57.800 58.419 -0.619 1
1 563 . 9 1 1 A 59 59 TRP CB C 57 29.800 32.229 -2.429 1
1 564 . 9 1 1 A 59 59 TRP N N 57 121.400 118.795 2.605 1
1 566 . 9 1 1 A 64 64 PRO HA H 62 4.410 4.641 -0.231 1
1 571 . 9 1 1 A 64 64 PRO C C 62 176.200 176.205 -0.005 1
1 572 . 9 1 1 A 64 64 PRO CA C 62 63.300 54.258 9.042 1
1 573 . 9 1 1 A 64 64 PRO CB C 62 32.100 41.850 -9.750 1
1 576 . 9 1 1 A 65 65 LYS H H 63 8.030 7.073 0.957 1
1 577 . 9 1 1 A 65 65 LYS HA H 63 4.130 4.282 -0.152 1
1 580 . 9 1 1 A 65 65 LYS CA C 63 57.700 54.377 3.323 1
1 581 . 9 1 1 A 65 65 LYS CB C 63 33.600 31.286 2.314 1
1 3 . 10 1 1 A 4 4 MET H H 2 8.430 8.560 -0.130 1
1 7 . 10 1 1 A 4 4 MET C C 2 176.000 174.442 1.558 1
1 8 . 10 1 1 A 4 4 MET CA C 2 55.400 59.524 -4.124 1
1 9 . 10 1 1 A 4 4 MET CB C 2 32.900 62.805 -29.905 1
1 11 . 10 1 1 A 4 4 MET N N 2 120.500 116.408 4.092 1
1 12 . 10 1 1 A 5 5 SER H H 3 8.400 8.939 -0.539 1
1 13 . 10 1 1 A 5 5 SER HA H 3 4.500 4.701 -0.201 1
1 16 . 10 1 1 A 5 5 SER C C 3 174.700 173.880 0.820 1
1 17 . 10 1 1 A 5 5 SER CA C 3 58.400 54.980 3.420 1
1 18 . 10 1 1 A 5 5 SER CB C 3 63.800 29.689 34.111 1
1 19 . 10 1 1 A 5 5 SER N N 3 117.300 126.964 -9.664 1
1 20 . 10 1 1 A 6 6 THR H H 4 8.210 9.172 -0.962 1
1 21 . 10 1 1 A 6 6 THR HA H 4 4.330 5.021 -0.691 1
1 26 . 10 1 1 A 6 6 THR C C 4 174.000 175.532 -1.532 1
1 27 . 10 1 1 A 6 6 THR CA C 4 61.900 53.898 8.002 1
1 28 . 10 1 1 A 6 6 THR CB C 4 69.900 35.430 34.470 1
1 30 . 10 1 1 A 6 6 THR N N 4 115.400 127.656 -12.256 1
1 31 . 10 1 1 A 7 7 ASN H H 5 8.440 8.680 -0.240 1
1 32 . 10 1 1 A 7 7 ASN HA H 5 4.950 5.025 -0.075 1
1 37 . 10 1 1 A 7 7 ASN CA C 5 50.900 57.411 -6.511 1
1 38 . 10 1 1 A 7 7 ASN CB C 5 39.000 64.302 -25.302 1
1 39 . 10 1 1 A 7 7 ASN N N 5 121.600 117.879 3.721 1
1 41 . 10 1 1 A 8 8 PRO HA H 6 4.310 4.005 0.305 1
1 48 . 10 1 1 A 8 8 PRO C C 6 177.100 174.711 2.389 1
1 49 . 10 1 1 A 8 8 PRO CA C 6 64.000 65.582 -1.582 1
1 50 . 10 1 1 A 8 8 PRO CB C 6 32.100 68.802 -36.702 1
1 53 . 10 1 1 A 9 9 PHE H H 7 8.020 7.929 0.091 1
1 54 . 10 1 1 A 9 9 PHE HA H 7 4.480 5.140 -0.660 1
1 59 . 10 1 1 A 9 9 PHE CA C 7 58.300 50.278 8.022 1
1 60 . 10 1 1 A 9 9 PHE CB C 7 38.800 40.294 -1.494 1
1 63 . 10 1 1 A 9 9 PHE N N 7 117.200 116.171 1.029 1
1 64 . 10 1 1 A 12 12 ASP C C 10 176.700 174.858 1.842 1
1 65 . 10 1 1 A 12 12 ASP CA C 10 54.800 56.137 -1.337 1
1 66 . 10 1 1 A 12 12 ASP CB C 10 41.000 40.532 0.468 1
1 67 . 10 1 1 A 13 13 ASN H H 11 8.490 8.327 0.163 1
1 70 . 10 1 1 A 13 13 ASN C C 11 175.700 174.667 1.033 1
1 71 . 10 1 1 A 13 13 ASN CA C 11 53.400 53.297 0.103 1
1 72 . 10 1 1 A 13 13 ASN CB C 11 39.200 39.372 -0.172 1
1 73 . 10 1 1 A 13 13 ASN N N 11 118.500 120.125 -1.625 1
1 75 . 10 1 1 A 14 14 GLY H H 12 8.200 9.097 -0.897 1
1 78 . 10 1 1 A 14 14 GLY C C 12 172.200 174.690 -2.490 1
1 79 . 10 1 1 A 14 14 GLY CA C 12 45.200 53.137 -7.937 1
1 80 . 10 1 1 A 14 14 GLY N N 12 108.500 126.324 -17.824 1
1 81 . 10 1 1 A 15 15 ALA H H 13 7.670 8.669 -0.999 1
1 82 . 10 1 1 A 15 15 ALA HA H 13 4.600 5.514 -0.914 1
1 86 . 10 1 1 A 15 15 ALA C C 13 176.500 175.062 1.438 1
1 87 . 10 1 1 A 15 15 ALA CA C 13 51.400 51.769 -0.369 1
1 88 . 10 1 1 A 15 15 ALA CB C 13 21.000 41.923 -20.923 1
1 89 . 10 1 1 A 15 15 ALA N N 13 122.600 123.739 -1.139 1
1 90 . 10 1 1 A 16 16 PHE H H 14 9.350 8.359 0.991 1
1 98 . 10 1 1 A 16 16 PHE C C 14 174.300 173.206 1.094 1
1 99 . 10 1 1 A 16 16 PHE CA C 14 57.600 44.842 12.758 1
1 105 . 10 1 1 A 16 16 PHE N N 14 120.000 111.309 8.691 1
1 106 . 10 1 1 A 17 17 PHE H H 15 9.550 8.012 1.538 1
1 107 . 10 1 1 A 17 17 PHE HA H 15 5.600 4.258 1.342 1
1 112 . 10 1 1 A 17 17 PHE C C 15 177.700 176.537 1.163 1
1 113 . 10 1 1 A 17 17 PHE CA C 15 55.900 50.658 5.242 1
1 114 . 10 1 1 A 17 17 PHE CB C 15 44.100 21.281 22.819 1
1 117 . 10 1 1 A 17 17 PHE N N 15 115.700 124.483 -8.783 1
1 118 . 10 1 1 A 18 18 VAL H H 16 8.670 8.104 0.566 1
1 119 . 10 1 1 A 18 18 VAL HA H 16 4.220 5.654 -1.434 1
1 127 . 10 1 1 A 18 18 VAL C C 16 175.200 172.807 2.393 1
1 128 . 10 1 1 A 18 18 VAL CA C 16 62.700 55.794 6.906 1
1 129 . 10 1 1 A 18 18 VAL CB C 16 32.700 42.501 -9.801 1
1 132 . 10 1 1 A 18 18 VAL N N 16 117.200 115.470 1.730 1
1 133 . 10 1 1 A 19 19 LEU H H 17 9.500 9.905 -0.405 1
1 134 . 10 1 1 A 19 19 LEU HA H 17 5.730 5.443 0.287 1
1 144 . 10 1 1 A 19 19 LEU C C 17 176.700 175.201 1.499 1
1 145 . 10 1 1 A 19 19 LEU CA C 17 52.100 56.545 -4.445 1
1 146 . 10 1 1 A 19 19 LEU CB C 17 46.800 43.137 3.663 1
1 150 . 10 1 1 A 19 19 LEU N N 17 127.100 118.776 8.324 1
1 151 . 10 1 1 A 20 20 VAL H H 18 9.170 9.270 -0.100 1
1 152 . 10 1 1 A 20 20 VAL HA H 18 5.710 4.571 1.139 1
1 160 . 10 1 1 A 20 20 VAL C C 18 174.800 174.956 -0.156 1
1 161 . 10 1 1 A 20 20 VAL CA C 18 59.300 62.651 -3.351 1
1 162 . 10 1 1 A 20 20 VAL CB C 18 36.700 31.155 5.545 1
1 165 . 10 1 1 A 20 20 VAL N N 18 115.900 122.267 -6.367 1
1 166 . 10 1 1 A 21 21 ASN H H 19 7.320 9.406 -2.086 1
1 167 . 10 1 1 A 21 21 ASN HA H 19 4.720 5.140 -0.420 1
1 170 . 10 1 1 A 21 21 ASN C C 19 177.700 174.772 2.928 1
1 171 . 10 1 1 A 21 21 ASN CA C 19 49.700 53.567 -3.867 1
1 172 . 10 1 1 A 21 21 ASN CB C 19 37.500 44.977 -7.477 1
1 173 . 10 1 1 A 21 21 ASN N N 19 122.600 130.008 -7.408 1
1 174 . 10 1 1 A 22 22 ASP H H 20 8.240 9.083 -0.843 1
1 175 . 10 1 1 A 22 22 ASP HA H 20 4.400 4.660 -0.260 1
1 178 . 10 1 1 A 22 22 ASP C C 20 176.600 173.986 2.614 1
1 179 . 10 1 1 A 22 22 ASP CA C 20 56.400 60.536 -4.136 1
1 180 . 10 1 1 A 22 22 ASP CB C 20 40.100 35.238 4.862 1
1 181 . 10 1 1 A 22 22 ASP N N 20 117.500 126.525 -9.025 1
1 182 . 10 1 1 A 23 23 GLU H H 21 7.220 8.866 -1.646 1
1 183 . 10 1 1 A 23 23 GLU HA H 21 4.380 5.181 -0.801 1
1 188 . 10 1 1 A 23 23 GLU C C 21 175.500 175.416 0.084 1
1 189 . 10 1 1 A 23 23 GLU CA C 21 55.600 51.669 3.931 1
1 190 . 10 1 1 A 23 23 GLU CB C 21 29.500 41.177 -11.677 1
1 192 . 10 1 1 A 23 23 GLU N N 21 118.100 125.035 -6.935 1
1 193 . 10 1 1 A 24 24 ASP H H 22 8.030 8.996 -0.966 1
1 194 . 10 1 1 A 24 24 ASP HA H 22 4.280 4.310 -0.030 1
1 197 . 10 1 1 A 24 24 ASP CA C 22 56.200 57.452 -1.252 1
1 198 . 10 1 1 A 24 24 ASP CB C 22 40.000 40.520 -0.520 1
1 199 . 10 1 1 A 24 24 ASP N N 22 115.700 126.637 -10.937 1
1 200 . 10 1 1 A 25 25 GLN H H 23 7.710 7.797 -0.087 1
1 201 . 10 1 1 A 25 25 GLN HA H 23 4.270 4.383 -0.113 1
1 206 . 10 1 1 A 25 25 GLN C C 23 175.300 175.161 0.139 1
1 207 . 10 1 1 A 25 25 GLN CA C 23 55.200 56.562 -1.362 1
1 208 . 10 1 1 A 25 25 GLN CB C 23 29.400 30.147 -0.747 1
1 209 . 10 1 1 A 25 25 GLN N N 23 116.800 116.067 0.733 1
1 210 . 10 1 1 A 26 26 HIS H H 24 8.870 7.802 1.068 1
1 211 . 10 1 1 A 26 26 HIS HA H 24 6.030 4.960 1.070 1
1 214 . 10 1 1 A 26 26 HIS CA C 24 54.400 52.706 1.694 1
1 215 . 10 1 1 A 26 26 HIS CB C 24 32.700 44.168 -11.468 1
1 216 . 10 1 1 A 26 26 HIS N N 24 113.400 120.609 -7.209 1
1 219 . 10 1 1 A 27 27 SER CB C 25 66.800 30.581 36.219 1
1 220 . 10 1 1 A 28 28 LEU HA H 26 5.430 5.162 0.268 1
1 230 . 10 1 1 A 28 28 LEU CA C 26 56.100 54.855 1.245 1
1 231 . 10 1 1 A 28 28 LEU CB C 26 43.600 33.669 9.931 1
1 235 . 10 1 1 A 29 29 TRP HA H 27 5.320 5.123 0.197 1
1 242 . 10 1 1 A 29 29 TRP CA C 27 54.100 57.569 -3.469 1
1 243 . 10 1 1 A 29 29 TRP CB C 27 36.000 66.078 -30.078 1
1 248 . 10 1 1 A 30 30 PRO C C 28 177.500 175.356 2.144 1
1 249 . 10 1 1 A 30 30 PRO CA C 28 62.400 54.218 8.182 1
1 250 . 10 1 1 A 30 30 PRO CB C 28 31.700 42.231 -10.531 1
1 253 . 10 1 1 A 31 31 VAL H H 29 7.000 9.172 -2.172 1
1 254 . 10 1 1 A 31 31 VAL HA H 29 3.710 5.418 -1.708 1
1 262 . 10 1 1 A 31 31 VAL CA C 29 63.600 54.878 8.722 1
1 263 . 10 1 1 A 31 31 VAL CB C 29 31.200 31.586 -0.386 1
1 266 . 10 1 1 A 31 31 VAL N N 29 114.100 128.423 -14.323 1
1 270 . 10 1 1 A 33 33 ALA C C 31 177.500 177.245 0.255 1
1 271 . 10 1 1 A 33 33 ALA CA C 31 50.900 63.474 -12.574 1
1 272 . 10 1 1 A 33 33 ALA CB C 31 20.200 31.526 -11.326 1
1 273 . 10 1 1 A 34 34 ASP H H 32 8.830 7.785 1.045 1
1 274 . 10 1 1 A 34 34 ASP HA H 32 4.500 4.016 0.484 1
1 277 . 10 1 1 A 34 34 ASP C C 32 176.900 174.427 2.473 1
1 278 . 10 1 1 A 34 34 ASP CA C 32 55.200 61.262 -6.062 1
1 279 . 10 1 1 A 34 34 ASP CB C 32 40.400 39.461 0.939 1
1 280 . 10 1 1 A 34 34 ASP N N 32 124.600 122.528 2.072 1
1 281 . 10 1 1 A 35 35 ILE H H 33 8.590 7.222 1.368 1
1 282 . 10 1 1 A 35 35 ILE HA H 33 3.610 4.535 -0.925 1
1 292 . 10 1 1 A 35 35 ILE C C 33 176.100 176.527 -0.427 1
1 293 . 10 1 1 A 35 35 ILE CA C 33 58.600 50.035 8.565 1
1 294 . 10 1 1 A 35 35 ILE CB C 33 37.600 21.967 15.633 1
1 298 . 10 1 1 A 35 35 ILE N N 33 125.200 118.680 6.520 1
1 299 . 10 1 1 A 36 36 PRO HA H 34 4.290 4.919 -0.629 1
1 306 . 10 1 1 A 36 36 PRO C C 34 179.400 176.150 3.250 1
1 307 . 10 1 1 A 36 36 PRO CA C 34 62.600 53.982 8.618 1
1 308 . 10 1 1 A 36 36 PRO CB C 34 31.600 41.402 -9.802 1
1 311 . 10 1 1 A 37 37 ALA H H 35 8.300 8.631 -0.331 1
1 312 . 10 1 1 A 37 37 ALA HA H 35 4.190 4.374 -0.184 1
1 316 . 10 1 1 A 37 37 ALA CA C 35 53.600 58.007 -4.407 1
1 317 . 10 1 1 A 37 37 ALA CB C 35 18.400 37.594 -19.194 1
1 318 . 10 1 1 A 37 37 ALA N N 35 123.600 122.966 0.634 1
1 322 . 10 1 1 A 38 38 GLY C C 36 174.000 176.219 -2.219 1
1 323 . 10 1 1 A 38 38 GLY CA C 36 45.000 65.955 -20.955 1
1 324 . 10 1 1 A 38 38 GLY N N 36 110.200 141.584 -31.384 1
1 325 . 10 1 1 A 39 39 TRP H H 37 7.700 7.863 -0.163 1
1 326 . 10 1 1 A 39 39 TRP HA H 37 4.900 4.778 0.122 1
1 331 . 10 1 1 A 39 39 TRP C C 37 175.000 176.571 -1.571 1
1 332 . 10 1 1 A 39 39 TRP CA C 37 56.000 51.504 4.496 1
1 333 . 10 1 1 A 39 39 TRP CB C 37 31.800 22.274 9.526 1
1 335 . 10 1 1 A 39 39 TRP N N 37 120.800 116.336 4.464 1
1 337 . 10 1 1 A 40 40 ARG H H 38 9.050 8.626 0.424 1
1 344 . 10 1 1 A 40 40 ARG C C 38 174.900 173.865 1.035 1
1 345 . 10 1 1 A 40 40 ARG CA C 38 54.000 46.326 7.674 1
1 349 . 10 1 1 A 40 40 ARG N N 38 118.200 108.974 9.226 1
1 350 . 10 1 1 A 41 41 VAL H H 39 8.660 7.230 1.430 1
1 351 . 10 1 1 A 41 41 VAL HA H 39 4.040 5.090 -1.050 1
1 359 . 10 1 1 A 41 41 VAL C C 39 178.000 174.471 3.529 1
1 360 . 10 1 1 A 41 41 VAL CA C 39 63.800 55.265 8.535 1
1 361 . 10 1 1 A 41 41 VAL CB C 39 32.400 32.810 -0.410 1
1 364 . 10 1 1 A 41 41 VAL N N 39 122.700 119.033 3.667 1
1 365 . 10 1 1 A 42 42 VAL H H 40 9.090 8.812 0.278 1
1 366 . 10 1 1 A 42 42 VAL HA H 40 4.740 5.021 -0.281 1
1 374 . 10 1 1 A 42 42 VAL C C 40 174.800 174.458 0.342 1
1 375 . 10 1 1 A 42 42 VAL CA C 40 61.000 55.007 5.993 1
1 376 . 10 1 1 A 42 42 VAL CB C 40 34.100 34.130 -0.030 1
1 379 . 10 1 1 A 42 42 VAL N N 40 119.800 120.601 -0.801 1
1 380 . 10 1 1 A 43 43 HIS H H 41 7.700 9.237 -1.537 1
1 381 . 10 1 1 A 43 43 HIS HA H 41 4.530 4.430 0.100 1
1 384 . 10 1 1 A 43 43 HIS C C 41 173.400 175.577 -2.177 1
1 385 . 10 1 1 A 43 43 HIS CA C 41 57.500 63.155 -5.655 1
1 386 . 10 1 1 A 43 43 HIS CB C 41 32.800 31.754 1.046 1
1 387 . 10 1 1 A 43 43 HIS N N 41 119.700 127.519 -7.819 1
1 388 . 10 1 1 A 44 44 GLY H H 42 7.590 8.953 -1.363 1
1 391 . 10 1 1 A 44 44 GLY C C 42 174.600 176.631 -2.031 1
1 392 . 10 1 1 A 44 44 GLY CA C 42 42.400 64.289 -21.889 1
1 393 . 10 1 1 A 44 44 GLY N N 42 112.000 129.209 -17.209 1
1 394 . 10 1 1 A 45 45 GLU H H 43 8.700 7.758 0.942 1
1 395 . 10 1 1 A 45 45 GLU HA H 43 4.120 5.220 -1.100 1
1 400 . 10 1 1 A 45 45 GLU C C 43 175.200 175.497 -0.297 1
1 401 . 10 1 1 A 45 45 GLU CA C 43 56.900 54.531 2.369 1
1 402 . 10 1 1 A 45 45 GLU CB C 43 30.900 33.316 -2.416 1
1 404 . 10 1 1 A 45 45 GLU N N 43 121.700 116.247 5.453 1
1 405 . 10 1 1 A 46 46 ALA H H 44 9.400 8.392 1.008 1
1 409 . 10 1 1 A 46 46 ALA C C 44 175.100 172.664 2.436 1
1 410 . 10 1 1 A 46 46 ALA CA C 44 51.100 43.812 7.288 1
1 412 . 10 1 1 A 46 46 ALA N N 44 127.000 109.779 17.221 1
1 413 . 10 1 1 A 47 47 SER H H 45 8.710 7.723 0.987 1
1 414 . 10 1 1 A 47 47 SER HA H 45 4.730 4.923 -0.193 1
1 417 . 10 1 1 A 47 47 SER C C 45 175.000 175.876 -0.876 1
1 418 . 10 1 1 A 47 47 SER CA C 45 57.900 55.372 2.528 1
1 419 . 10 1 1 A 47 47 SER CB C 45 64.900 29.995 34.905 1
1 420 . 10 1 1 A 47 47 SER N N 45 115.300 120.689 -5.389 1
1 421 . 10 1 1 A 48 48 ARG H H 46 9.520 8.225 1.295 1
1 422 . 10 1 1 A 48 48 ARG HA H 46 3.390 4.881 -1.491 1
1 429 . 10 1 1 A 48 48 ARG C C 46 178.300 177.185 1.115 1
1 430 . 10 1 1 A 48 48 ARG CA C 46 61.000 50.054 10.946 1
1 431 . 10 1 1 A 48 48 ARG CB C 46 30.100 22.989 7.111 1
1 434 . 10 1 1 A 48 48 ARG N N 46 123.400 127.692 -4.292 1
1 435 . 10 1 1 A 49 49 ALA H H 47 8.620 8.541 0.079 1
1 436 . 10 1 1 A 49 49 ALA HA H 47 3.970 4.552 -0.582 1
1 440 . 10 1 1 A 49 49 ALA C C 47 180.500 175.086 5.414 1
1 441 . 10 1 1 A 49 49 ALA CA C 47 55.400 60.270 -4.870 1
1 442 . 10 1 1 A 49 49 ALA CB C 47 18.200 63.815 -45.615 1
1 443 . 10 1 1 A 49 49 ALA N N 47 118.800 115.265 3.535 1
1 444 . 10 1 1 A 50 50 ALA H H 48 8.130 9.001 -0.871 1
1 445 . 10 1 1 A 50 50 ALA HA H 48 4.260 3.356 0.904 1
1 449 . 10 1 1 A 50 50 ALA C C 48 182.500 177.944 4.556 1
1 450 . 10 1 1 A 50 50 ALA CA C 48 54.900 59.737 -4.837 1
1 451 . 10 1 1 A 50 50 ALA CB C 48 19.100 29.455 -10.355 1
1 452 . 10 1 1 A 50 50 ALA N N 48 122.100 126.061 -3.961 1
1 453 . 10 1 1 A 51 51 CYS H H 49 8.530 8.100 0.430 1
1 454 . 10 1 1 A 51 51 CYS HA H 49 4.070 4.069 0.001 1
1 457 . 10 1 1 A 51 51 CYS C C 49 176.800 180.007 -3.207 1
1 458 . 10 1 1 A 51 51 CYS CA C 49 65.000 54.986 10.014 1
1 459 . 10 1 1 A 51 51 CYS CB C 49 27.100 17.950 9.150 1
1 460 . 10 1 1 A 51 51 CYS N N 49 119.000 120.504 -1.504 1
1 461 . 10 1 1 A 52 52 LEU H H 50 8.660 8.051 0.609 1
1 462 . 10 1 1 A 52 52 LEU HA H 50 3.990 4.115 -0.125 1
1 472 . 10 1 1 A 52 52 LEU C C 50 179.800 179.441 0.359 1
1 473 . 10 1 1 A 52 52 LEU CA C 50 58.200 55.041 3.159 1
1 474 . 10 1 1 A 52 52 LEU CB C 50 41.000 18.235 22.765 1
1 478 . 10 1 1 A 52 52 LEU N N 50 121.100 119.284 1.816 1
1 479 . 10 1 1 A 53 53 ASP H H 51 8.020 8.280 -0.260 1
1 480 . 10 1 1 A 53 53 ASP HA H 51 4.370 4.036 0.334 1
1 483 . 10 1 1 A 53 53 ASP C C 51 177.500 177.087 0.413 1
1 484 . 10 1 1 A 53 53 ASP CA C 51 57.500 63.812 -6.312 1
1 485 . 10 1 1 A 53 53 ASP CB C 51 41.500 27.187 14.313 1
1 486 . 10 1 1 A 53 53 ASP N N 51 120.300 116.220 4.080 1
1 487 . 10 1 1 A 54 54 TYR H H 52 7.760 8.266 -0.506 1
1 488 . 10 1 1 A 54 54 TYR HA H 52 3.770 3.814 -0.044 1
1 495 . 10 1 1 A 54 54 TYR C C 52 179.000 178.443 0.557 1
1 496 . 10 1 1 A 54 54 TYR CA C 52 62.300 57.986 4.314 1
1 497 . 10 1 1 A 54 54 TYR CB C 52 37.700 41.197 -3.497 1
1 502 . 10 1 1 A 54 54 TYR N N 52 119.700 120.219 -0.519 1
1 503 . 10 1 1 A 55 55 VAL H H 53 8.250 8.556 -0.306 1
1 504 . 10 1 1 A 55 55 VAL HA H 53 3.580 4.138 -0.558 1
1 512 . 10 1 1 A 55 55 VAL C C 53 177.700 177.586 0.114 1
1 513 . 10 1 1 A 55 55 VAL CA C 53 66.800 57.181 9.619 1
1 514 . 10 1 1 A 55 55 VAL CB C 53 31.900 41.565 -9.665 1
1 517 . 10 1 1 A 55 55 VAL N N 53 120.200 118.982 1.218 1
1 518 . 10 1 1 A 56 56 GLU H H 54 8.170 8.267 -0.097 1
1 519 . 10 1 1 A 56 56 GLU HA H 54 4.010 4.015 -0.005 1
1 524 . 10 1 1 A 56 56 GLU C C 54 178.700 177.558 1.142 1
1 525 . 10 1 1 A 56 56 GLU CA C 54 59.200 61.207 -2.007 1
1 526 . 10 1 1 A 56 56 GLU CB C 54 29.600 38.539 -8.939 1
1 528 . 10 1 1 A 56 56 GLU N N 54 119.600 120.468 -0.868 1
1 529 . 10 1 1 A 57 57 LYS H H 55 7.800 8.048 -0.248 1
1 530 . 10 1 1 A 57 57 LYS HA H 55 4.040 3.311 0.729 1
1 539 . 10 1 1 A 57 57 LYS C C 55 177.900 177.874 0.026 1
1 540 . 10 1 1 A 57 57 LYS CA C 55 57.900 66.154 -8.254 1
1 541 . 10 1 1 A 57 57 LYS CB C 55 33.300 31.420 1.880 1
1 545 . 10 1 1 A 57 57 LYS N N 55 115.700 118.978 -3.278 1
1 546 . 10 1 1 A 58 58 ASN H H 56 7.570 8.258 -0.688 1
1 547 . 10 1 1 A 58 58 ASN HA H 56 4.490 3.803 0.687 1
1 552 . 10 1 1 A 58 58 ASN C C 56 174.300 178.505 -4.205 1
1 553 . 10 1 1 A 58 58 ASN CA C 56 54.700 59.214 -4.514 1
1 554 . 10 1 1 A 58 58 ASN CB C 56 40.100 29.354 10.746 1
1 555 . 10 1 1 A 58 58 ASN N N 56 115.000 121.712 -6.712 1
1 557 . 10 1 1 A 59 59 TRP H H 57 8.120 7.650 0.470 1
1 562 . 10 1 1 A 59 59 TRP CA C 57 57.800 57.788 0.012 1
1 563 . 10 1 1 A 59 59 TRP CB C 57 29.800 32.095 -2.295 1
1 564 . 10 1 1 A 59 59 TRP N N 57 121.400 118.676 2.724 1
1 566 . 10 1 1 A 64 64 PRO HA H 62 4.410 4.044 0.366 1
1 571 . 10 1 1 A 64 64 PRO C C 62 176.200 175.439 0.761 1
1 572 . 10 1 1 A 64 64 PRO CA C 62 63.300 55.212 8.088 1
1 573 . 10 1 1 A 64 64 PRO CB C 62 32.100 40.757 -8.657 1
1 576 . 10 1 1 A 65 65 LYS H H 63 8.030 8.070 -0.040 1
1 577 . 10 1 1 A 65 65 LYS HA H 63 4.130 4.846 -0.716 1
1 580 . 10 1 1 A 65 65 LYS CA C 63 57.700 52.949 4.751 1
1 581 . 10 1 1 A 65 65 LYS CB C 63 33.600 31.888 1.712 1
1 3 . 11 1 1 A 4 4 MET H H 2 8.430 8.490 -0.060 1
1 7 . 11 1 1 A 4 4 MET C C 2 176.000 173.776 2.224 1
1 8 . 11 1 1 A 4 4 MET CA C 2 55.400 57.811 -2.411 1
1 9 . 11 1 1 A 4 4 MET CB C 2 32.900 64.981 -32.081 1
1 11 . 11 1 1 A 4 4 MET N N 2 120.500 116.496 4.004 1
1 12 . 11 1 1 A 5 5 SER H H 3 8.400 9.349 -0.949 1
1 13 . 11 1 1 A 5 5 SER HA H 3 4.500 5.155 -0.655 1
1 16 . 11 1 1 A 5 5 SER C C 3 174.700 174.267 0.433 1
1 17 . 11 1 1 A 5 5 SER CA C 3 58.400 54.809 3.591 1
1 18 . 11 1 1 A 5 5 SER CB C 3 63.800 31.848 31.952 1
1 19 . 11 1 1 A 5 5 SER N N 3 117.300 124.243 -6.943 1
1 20 . 11 1 1 A 6 6 THR H H 4 8.210 9.016 -0.806 1
1 21 . 11 1 1 A 6 6 THR HA H 4 4.330 4.743 -0.413 1
1 26 . 11 1 1 A 6 6 THR C C 4 174.000 175.022 -1.022 1
1 27 . 11 1 1 A 6 6 THR CA C 4 61.900 54.209 7.691 1
1 28 . 11 1 1 A 6 6 THR CB C 4 69.900 33.041 36.859 1
1 30 . 11 1 1 A 6 6 THR N N 4 115.400 125.370 -9.970 1
1 31 . 11 1 1 A 7 7 ASN H H 5 8.440 9.031 -0.591 1
1 32 . 11 1 1 A 7 7 ASN HA H 5 4.950 4.956 -0.006 1
1 37 . 11 1 1 A 7 7 ASN CA C 5 50.900 56.730 -5.830 1
1 38 . 11 1 1 A 7 7 ASN CB C 5 39.000 64.111 -25.111 1
1 39 . 11 1 1 A 7 7 ASN N N 5 121.600 123.466 -1.866 1
1 41 . 11 1 1 A 8 8 PRO HA H 6 4.310 4.987 -0.677 1
1 48 . 11 1 1 A 8 8 PRO C C 6 177.100 173.207 3.893 1
1 49 . 11 1 1 A 8 8 PRO CA C 6 64.000 59.598 4.402 1
1 50 . 11 1 1 A 8 8 PRO CB C 6 32.100 71.900 -39.800 1
1 53 . 11 1 1 A 9 9 PHE H H 7 8.020 8.739 -0.719 1
1 54 . 11 1 1 A 9 9 PHE HA H 7 4.480 4.807 -0.327 1
1 59 . 11 1 1 A 9 9 PHE CA C 7 58.300 51.320 6.980 1
1 60 . 11 1 1 A 9 9 PHE CB C 7 38.800 38.310 0.490 1
1 63 . 11 1 1 A 9 9 PHE N N 7 117.200 123.002 -5.802 1
1 64 . 11 1 1 A 12 12 ASP C C 10 176.700 175.616 1.084 1
1 65 . 11 1 1 A 12 12 ASP CA C 10 54.800 54.056 0.744 1
1 66 . 11 1 1 A 12 12 ASP CB C 10 41.000 41.691 -0.691 1
1 67 . 11 1 1 A 13 13 ASN H H 11 8.490 8.228 0.262 1
1 70 . 11 1 1 A 13 13 ASN C C 11 175.700 175.583 0.117 1
1 71 . 11 1 1 A 13 13 ASN CA C 11 53.400 54.663 -1.263 1
1 72 . 11 1 1 A 13 13 ASN CB C 11 39.200 41.313 -2.113 1
1 73 . 11 1 1 A 13 13 ASN N N 11 118.500 124.991 -6.491 1
1 75 . 11 1 1 A 14 14 GLY H H 12 8.200 8.575 -0.375 1
1 78 . 11 1 1 A 14 14 GLY C C 12 172.200 175.451 -3.251 1
1 79 . 11 1 1 A 14 14 GLY CA C 12 45.200 52.584 -7.384 1
1 80 . 11 1 1 A 14 14 GLY N N 12 108.500 125.894 -17.394 1
1 81 . 11 1 1 A 15 15 ALA H H 13 7.670 8.906 -1.236 1
1 82 . 11 1 1 A 15 15 ALA HA H 13 4.600 4.942 -0.342 1
1 86 . 11 1 1 A 15 15 ALA C C 13 176.500 174.390 2.110 1
1 87 . 11 1 1 A 15 15 ALA CA C 13 51.400 52.170 -0.770 1
1 88 . 11 1 1 A 15 15 ALA CB C 13 21.000 39.381 -18.381 1
1 89 . 11 1 1 A 15 15 ALA N N 13 122.600 120.167 2.433 1
1 90 . 11 1 1 A 16 16 PHE H H 14 9.350 7.651 1.699 1
1 98 . 11 1 1 A 16 16 PHE C C 14 174.300 171.847 2.453 1
1 99 . 11 1 1 A 16 16 PHE CA C 14 57.600 45.789 11.811 1
1 105 . 11 1 1 A 16 16 PHE N N 14 120.000 108.742 11.258 1
1 106 . 11 1 1 A 17 17 PHE H H 15 9.550 8.304 1.246 1
1 107 . 11 1 1 A 17 17 PHE HA H 15 5.600 3.971 1.629 1
1 112 . 11 1 1 A 17 17 PHE C C 15 177.700 176.584 1.116 1
1 113 . 11 1 1 A 17 17 PHE CA C 15 55.900 51.349 4.551 1
1 114 . 11 1 1 A 17 17 PHE CB C 15 44.100 19.889 24.211 1
1 117 . 11 1 1 A 17 17 PHE N N 15 115.700 123.147 -7.447 1
1 118 . 11 1 1 A 18 18 VAL H H 16 8.670 8.094 0.576 1
1 119 . 11 1 1 A 18 18 VAL HA H 16 4.220 5.613 -1.393 1
1 127 . 11 1 1 A 18 18 VAL C C 16 175.200 172.810 2.390 1
1 128 . 11 1 1 A 18 18 VAL CA C 16 62.700 55.673 7.027 1
1 129 . 11 1 1 A 18 18 VAL CB C 16 32.700 42.175 -9.475 1
1 132 . 11 1 1 A 18 18 VAL N N 16 117.200 115.163 2.037 1
1 133 . 11 1 1 A 19 19 LEU H H 17 9.500 9.978 -0.478 1
1 134 . 11 1 1 A 19 19 LEU HA H 17 5.730 5.284 0.446 1
1 144 . 11 1 1 A 19 19 LEU C C 17 176.700 175.714 0.986 1
1 145 . 11 1 1 A 19 19 LEU CA C 17 52.100 56.649 -4.549 1
1 146 . 11 1 1 A 19 19 LEU CB C 17 46.800 42.597 4.203 1
1 150 . 11 1 1 A 19 19 LEU N N 17 127.100 118.875 8.225 1
1 151 . 11 1 1 A 20 20 VAL H H 18 9.170 8.960 0.210 1
1 152 . 11 1 1 A 20 20 VAL HA H 18 5.710 4.413 1.297 1
1 160 . 11 1 1 A 20 20 VAL C C 18 174.800 174.930 -0.130 1
1 161 . 11 1 1 A 20 20 VAL CA C 18 59.300 63.149 -3.849 1
1 162 . 11 1 1 A 20 20 VAL CB C 18 36.700 31.237 5.463 1
1 165 . 11 1 1 A 20 20 VAL N N 18 115.900 123.060 -7.160 1
1 166 . 11 1 1 A 21 21 ASN H H 19 7.320 9.264 -1.944 1
1 167 . 11 1 1 A 21 21 ASN HA H 19 4.720 5.558 -0.838 1
1 170 . 11 1 1 A 21 21 ASN C C 19 177.700 174.935 2.765 1
1 171 . 11 1 1 A 21 21 ASN CA C 19 49.700 53.365 -3.665 1
1 172 . 11 1 1 A 21 21 ASN CB C 19 37.500 45.617 -8.117 1
1 173 . 11 1 1 A 21 21 ASN N N 19 122.600 130.473 -7.873 1
1 174 . 11 1 1 A 22 22 ASP H H 20 8.240 9.545 -1.305 1
1 175 . 11 1 1 A 22 22 ASP HA H 20 4.400 4.889 -0.489 1
1 178 . 11 1 1 A 22 22 ASP C C 20 176.600 174.119 2.481 1
1 179 . 11 1 1 A 22 22 ASP CA C 20 56.400 60.889 -4.489 1
1 180 . 11 1 1 A 22 22 ASP CB C 20 40.100 34.560 5.540 1
1 181 . 11 1 1 A 22 22 ASP N N 20 117.500 127.046 -9.546 1
1 182 . 11 1 1 A 23 23 GLU H H 21 7.220 8.499 -1.279 1
1 183 . 11 1 1 A 23 23 GLU HA H 21 4.380 4.510 -0.130 1
1 188 . 11 1 1 A 23 23 GLU C C 21 175.500 175.312 0.188 1
1 189 . 11 1 1 A 23 23 GLU CA C 21 55.600 51.920 3.680 1
1 190 . 11 1 1 A 23 23 GLU CB C 21 29.500 39.121 -9.621 1
1 192 . 11 1 1 A 23 23 GLU N N 21 118.100 125.232 -7.132 1
1 193 . 11 1 1 A 24 24 ASP H H 22 8.030 8.805 -0.775 1
1 194 . 11 1 1 A 24 24 ASP HA H 22 4.280 4.169 0.111 1
1 197 . 11 1 1 A 24 24 ASP CA C 22 56.200 57.831 -1.631 1
1 198 . 11 1 1 A 24 24 ASP CB C 22 40.000 40.597 -0.597 1
1 199 . 11 1 1 A 24 24 ASP N N 22 115.700 125.379 -9.679 1
1 200 . 11 1 1 A 25 25 GLN H H 23 7.710 8.084 -0.374 1
1 201 . 11 1 1 A 25 25 GLN HA H 23 4.270 4.266 0.004 1
1 206 . 11 1 1 A 25 25 GLN C C 23 175.300 174.999 0.301 1
1 207 . 11 1 1 A 25 25 GLN CA C 23 55.200 56.248 -1.048 1
1 208 . 11 1 1 A 25 25 GLN CB C 23 29.400 28.884 0.516 1
1 209 . 11 1 1 A 25 25 GLN N N 23 116.800 115.012 1.788 1
1 210 . 11 1 1 A 26 26 HIS H H 24 8.870 7.487 1.383 1
1 211 . 11 1 1 A 26 26 HIS HA H 24 6.030 4.933 1.097 1
1 214 . 11 1 1 A 26 26 HIS CA C 24 54.400 52.438 1.962 1
1 215 . 11 1 1 A 26 26 HIS CB C 24 32.700 43.488 -10.788 1
1 216 . 11 1 1 A 26 26 HIS N N 24 113.400 120.535 -7.135 1
1 219 . 11 1 1 A 27 27 SER CB C 25 66.800 31.408 35.392 1
1 220 . 11 1 1 A 28 28 LEU HA H 26 5.430 5.038 0.392 1
1 230 . 11 1 1 A 28 28 LEU CA C 26 56.100 54.763 1.337 1
1 231 . 11 1 1 A 28 28 LEU CB C 26 43.600 31.646 11.954 1
1 235 . 11 1 1 A 29 29 TRP HA H 27 5.320 5.054 0.266 1
1 242 . 11 1 1 A 29 29 TRP CA C 27 54.100 57.614 -3.514 1
1 243 . 11 1 1 A 29 29 TRP CB C 27 36.000 67.073 -31.073 1
1 248 . 11 1 1 A 30 30 PRO C C 28 177.500 175.349 2.151 1
1 249 . 11 1 1 A 30 30 PRO CA C 28 62.400 53.353 9.047 1
1 250 . 11 1 1 A 30 30 PRO CB C 28 31.700 43.038 -11.338 1
1 253 . 11 1 1 A 31 31 VAL H H 29 7.000 9.430 -2.430 1
1 254 . 11 1 1 A 31 31 VAL HA H 29 3.710 5.364 -1.654 1
1 262 . 11 1 1 A 31 31 VAL CA C 29 63.600 54.772 8.828 1
1 263 . 11 1 1 A 31 31 VAL CB C 29 31.200 31.948 -0.748 1
1 266 . 11 1 1 A 31 31 VAL N N 29 114.100 128.019 -13.919 1
1 270 . 11 1 1 A 33 33 ALA C C 31 177.500 177.732 -0.232 1
1 271 . 11 1 1 A 33 33 ALA CA C 31 50.900 64.041 -13.141 1
1 272 . 11 1 1 A 33 33 ALA CB C 31 20.200 31.350 -11.150 1
1 273 . 11 1 1 A 34 34 ASP H H 32 8.830 7.773 1.057 1
1 274 . 11 1 1 A 34 34 ASP HA H 32 4.500 4.128 0.372 1
1 277 . 11 1 1 A 34 34 ASP C C 32 176.900 174.798 2.102 1
1 278 . 11 1 1 A 34 34 ASP CA C 32 55.200 60.041 -4.841 1
1 279 . 11 1 1 A 34 34 ASP CB C 32 40.400 39.947 0.453 1
1 280 . 11 1 1 A 34 34 ASP N N 32 124.600 123.176 1.424 1
1 281 . 11 1 1 A 35 35 ILE H H 33 8.590 7.353 1.237 1
1 282 . 11 1 1 A 35 35 ILE HA H 33 3.610 4.482 -0.872 1
1 292 . 11 1 1 A 35 35 ILE C C 33 176.100 176.319 -0.219 1
1 293 . 11 1 1 A 35 35 ILE CA C 33 58.600 50.201 8.399 1
1 294 . 11 1 1 A 35 35 ILE CB C 33 37.600 20.664 16.936 1
1 298 . 11 1 1 A 35 35 ILE N N 33 125.200 120.029 5.171 1
1 299 . 11 1 1 A 36 36 PRO HA H 34 4.290 4.703 -0.413 1
1 306 . 11 1 1 A 36 36 PRO C C 34 179.400 176.185 3.215 1
1 307 . 11 1 1 A 36 36 PRO CA C 34 62.600 54.612 7.988 1
1 308 . 11 1 1 A 36 36 PRO CB C 34 31.600 41.407 -9.807 1
1 311 . 11 1 1 A 37 37 ALA H H 35 8.300 8.637 -0.337 1
1 312 . 11 1 1 A 37 37 ALA HA H 35 4.190 4.251 -0.061 1
1 316 . 11 1 1 A 37 37 ALA CA C 35 53.600 59.199 -5.599 1
1 317 . 11 1 1 A 37 37 ALA CB C 35 18.400 38.346 -19.946 1
1 318 . 11 1 1 A 37 37 ALA N N 35 123.600 127.087 -3.487 1
1 322 . 11 1 1 A 38 38 GLY C C 36 174.000 176.092 -2.092 1
1 323 . 11 1 1 A 38 38 GLY CA C 36 45.000 62.114 -17.114 1
1 324 . 11 1 1 A 38 38 GLY N N 36 110.200 142.874 -32.674 1
1 325 . 11 1 1 A 39 39 TRP H H 37 7.700 8.249 -0.549 1
1 326 . 11 1 1 A 39 39 TRP HA H 37 4.900 4.468 0.432 1
1 331 . 11 1 1 A 39 39 TRP C C 37 175.000 178.392 -3.392 1
1 332 . 11 1 1 A 39 39 TRP CA C 37 56.000 52.460 3.540 1
1 333 . 11 1 1 A 39 39 TRP CB C 37 31.800 20.084 11.716 1
1 335 . 11 1 1 A 39 39 TRP N N 37 120.800 123.010 -2.210 1
1 337 . 11 1 1 A 40 40 ARG H H 38 9.050 8.900 0.150 1
1 344 . 11 1 1 A 40 40 ARG C C 38 174.900 174.633 0.267 1
1 345 . 11 1 1 A 40 40 ARG CA C 38 54.000 45.212 8.788 1
1 349 . 11 1 1 A 40 40 ARG N N 38 118.200 109.736 8.464 1
1 350 . 11 1 1 A 41 41 VAL H H 39 8.660 8.086 0.574 1
1 351 . 11 1 1 A 41 41 VAL HA H 39 4.040 4.640 -0.600 1
1 359 . 11 1 1 A 41 41 VAL C C 39 178.000 175.601 2.399 1
1 360 . 11 1 1 A 41 41 VAL CA C 39 63.800 57.453 6.347 1
1 361 . 11 1 1 A 41 41 VAL CB C 39 32.400 30.568 1.832 1
1 364 . 11 1 1 A 41 41 VAL N N 39 122.700 120.952 1.748 1
1 365 . 11 1 1 A 42 42 VAL H H 40 9.090 9.459 -0.369 1
1 366 . 11 1 1 A 42 42 VAL HA H 40 4.740 4.896 -0.156 1
1 374 . 11 1 1 A 42 42 VAL C C 40 174.800 175.169 -0.369 1
1 375 . 11 1 1 A 42 42 VAL CA C 40 61.000 54.688 6.312 1
1 376 . 11 1 1 A 42 42 VAL CB C 40 34.100 32.571 1.529 1
1 379 . 11 1 1 A 42 42 VAL N N 40 119.800 123.315 -3.515 1
1 380 . 11 1 1 A 43 43 HIS H H 41 7.700 9.071 -1.371 1
1 381 . 11 1 1 A 43 43 HIS HA H 41 4.530 4.208 0.322 1
1 384 . 11 1 1 A 43 43 HIS C C 41 173.400 175.862 -2.462 1
1 385 . 11 1 1 A 43 43 HIS CA C 41 57.500 63.710 -6.210 1
1 386 . 11 1 1 A 43 43 HIS CB C 41 32.800 31.543 1.257 1
1 387 . 11 1 1 A 43 43 HIS N N 41 119.700 127.605 -7.905 1
1 388 . 11 1 1 A 44 44 GLY H H 42 7.590 9.505 -1.915 1
1 391 . 11 1 1 A 44 44 GLY C C 42 174.600 176.109 -1.509 1
1 392 . 11 1 1 A 44 44 GLY CA C 42 42.400 63.886 -21.486 1
1 393 . 11 1 1 A 44 44 GLY N N 42 112.000 127.848 -15.848 1
1 394 . 11 1 1 A 45 45 GLU H H 43 8.700 7.398 1.302 1
1 395 . 11 1 1 A 45 45 GLU HA H 43 4.120 4.751 -0.631 1
1 400 . 11 1 1 A 45 45 GLU C C 43 175.200 173.349 1.851 1
1 401 . 11 1 1 A 45 45 GLU CA C 43 56.900 55.109 1.791 1
1 402 . 11 1 1 A 45 45 GLU CB C 43 30.900 32.899 -1.999 1
1 404 . 11 1 1 A 45 45 GLU N N 43 121.700 117.875 3.825 1
1 405 . 11 1 1 A 46 46 ALA H H 44 9.400 8.035 1.365 1
1 409 . 11 1 1 A 46 46 ALA C C 44 175.100 172.470 2.630 1
1 410 . 11 1 1 A 46 46 ALA CA C 44 51.100 43.542 7.558 1
1 412 . 11 1 1 A 46 46 ALA N N 44 127.000 112.128 14.872 1
1 413 . 11 1 1 A 47 47 SER H H 45 8.710 7.809 0.901 1
1 414 . 11 1 1 A 47 47 SER HA H 45 4.730 5.071 -0.341 1
1 417 . 11 1 1 A 47 47 SER C C 45 175.000 176.066 -1.066 1
1 418 . 11 1 1 A 47 47 SER CA C 45 57.900 55.695 2.205 1
1 419 . 11 1 1 A 47 47 SER CB C 45 64.900 29.672 35.228 1
1 420 . 11 1 1 A 47 47 SER N N 45 115.300 117.124 -1.824 1
1 421 . 11 1 1 A 48 48 ARG H H 46 9.520 8.316 1.204 1
1 422 . 11 1 1 A 48 48 ARG HA H 46 3.390 5.032 -1.642 1
1 429 . 11 1 1 A 48 48 ARG C C 46 178.300 176.639 1.661 1
1 430 . 11 1 1 A 48 48 ARG CA C 46 61.000 50.410 10.590 1
1 431 . 11 1 1 A 48 48 ARG CB C 46 30.100 23.179 6.921 1
1 434 . 11 1 1 A 48 48 ARG N N 46 123.400 126.661 -3.261 1
1 435 . 11 1 1 A 49 49 ALA H H 47 8.620 8.528 0.092 1
1 436 . 11 1 1 A 49 49 ALA HA H 47 3.970 4.529 -0.559 1
1 440 . 11 1 1 A 49 49 ALA C C 47 180.500 174.771 5.729 1
1 441 . 11 1 1 A 49 49 ALA CA C 47 55.400 60.155 -4.755 1
1 442 . 11 1 1 A 49 49 ALA CB C 47 18.200 63.769 -45.569 1
1 443 . 11 1 1 A 49 49 ALA N N 47 118.800 115.071 3.729 1
1 444 . 11 1 1 A 50 50 ALA H H 48 8.130 8.848 -0.718 1
1 445 . 11 1 1 A 50 50 ALA HA H 48 4.260 3.483 0.777 1
1 449 . 11 1 1 A 50 50 ALA C C 48 182.500 177.780 4.720 1
1 450 . 11 1 1 A 50 50 ALA CA C 48 54.900 59.567 -4.667 1
1 451 . 11 1 1 A 50 50 ALA CB C 48 19.100 29.090 -9.990 1
1 452 . 11 1 1 A 50 50 ALA N N 48 122.100 125.786 -3.686 1
1 453 . 11 1 1 A 51 51 CYS H H 49 8.530 8.023 0.507 1
1 454 . 11 1 1 A 51 51 CYS HA H 49 4.070 4.012 0.058 1
1 457 . 11 1 1 A 51 51 CYS C C 49 176.800 179.988 -3.188 1
1 458 . 11 1 1 A 51 51 CYS CA C 49 65.000 54.833 10.167 1
1 459 . 11 1 1 A 51 51 CYS CB C 49 27.100 18.050 9.050 1
1 460 . 11 1 1 A 51 51 CYS N N 49 119.000 120.466 -1.466 1
1 461 . 11 1 1 A 52 52 LEU H H 50 8.660 8.085 0.575 1
1 462 . 11 1 1 A 52 52 LEU HA H 50 3.990 4.042 -0.052 1
1 472 . 11 1 1 A 52 52 LEU C C 50 179.800 179.352 0.448 1
1 473 . 11 1 1 A 52 52 LEU CA C 50 58.200 55.022 3.178 1
1 474 . 11 1 1 A 52 52 LEU CB C 50 41.000 18.081 22.919 1
1 478 . 11 1 1 A 52 52 LEU N N 50 121.100 119.464 1.636 1
1 479 . 11 1 1 A 53 53 ASP H H 51 8.020 8.238 -0.218 1
1 480 . 11 1 1 A 53 53 ASP HA H 51 4.370 3.985 0.385 1
1 483 . 11 1 1 A 53 53 ASP C C 51 177.500 177.131 0.369 1
1 484 . 11 1 1 A 53 53 ASP CA C 51 57.500 63.694 -6.194 1
1 485 . 11 1 1 A 53 53 ASP CB C 51 41.500 27.199 14.301 1
1 486 . 11 1 1 A 53 53 ASP N N 51 120.300 116.115 4.185 1
1 487 . 11 1 1 A 54 54 TYR H H 52 7.760 8.618 -0.858 1
1 488 . 11 1 1 A 54 54 TYR HA H 52 3.770 3.850 -0.080 1
1 495 . 11 1 1 A 54 54 TYR C C 52 179.000 178.917 0.083 1
1 496 . 11 1 1 A 54 54 TYR CA C 52 62.300 58.140 4.160 1
1 497 . 11 1 1 A 54 54 TYR CB C 52 37.700 41.755 -4.055 1
1 502 . 11 1 1 A 54 54 TYR N N 52 119.700 120.355 -0.655 1
1 503 . 11 1 1 A 55 55 VAL H H 53 8.250 8.564 -0.314 1
1 504 . 11 1 1 A 55 55 VAL HA H 53 3.580 4.250 -0.670 1
1 512 . 11 1 1 A 55 55 VAL C C 53 177.700 178.375 -0.675 1
1 513 . 11 1 1 A 55 55 VAL CA C 53 66.800 57.602 9.198 1
1 514 . 11 1 1 A 55 55 VAL CB C 53 31.900 40.531 -8.631 1
1 517 . 11 1 1 A 55 55 VAL N N 53 120.200 118.576 1.624 1
1 518 . 11 1 1 A 56 56 GLU H H 54 8.170 8.112 0.058 1
1 519 . 11 1 1 A 56 56 GLU HA H 54 4.010 4.114 -0.104 1
1 524 . 11 1 1 A 56 56 GLU C C 54 178.700 177.773 0.927 1
1 525 . 11 1 1 A 56 56 GLU CA C 54 59.200 61.326 -2.126 1
1 526 . 11 1 1 A 56 56 GLU CB C 54 29.600 38.679 -9.079 1
1 528 . 11 1 1 A 56 56 GLU N N 54 119.600 122.046 -2.446 1
1 529 . 11 1 1 A 57 57 LYS H H 55 7.800 8.152 -0.352 1
1 530 . 11 1 1 A 57 57 LYS HA H 55 4.040 3.613 0.427 1
1 539 . 11 1 1 A 57 57 LYS C C 55 177.900 178.131 -0.231 1
1 540 . 11 1 1 A 57 57 LYS CA C 55 57.900 66.456 -8.556 1
1 541 . 11 1 1 A 57 57 LYS CB C 55 33.300 31.604 1.696 1
1 545 . 11 1 1 A 57 57 LYS N N 55 115.700 119.109 -3.409 1
1 546 . 11 1 1 A 58 58 ASN H H 56 7.570 8.347 -0.777 1
1 547 . 11 1 1 A 58 58 ASN HA H 56 4.490 4.018 0.472 1
1 552 . 11 1 1 A 58 58 ASN C C 56 174.300 179.582 -5.282 1
1 553 . 11 1 1 A 58 58 ASN CA C 56 54.700 59.091 -4.391 1
1 554 . 11 1 1 A 58 58 ASN CB C 56 40.100 29.140 10.960 1
1 555 . 11 1 1 A 58 58 ASN N N 56 115.000 121.705 -6.705 1
1 557 . 11 1 1 A 59 59 TRP H H 57 8.120 8.001 0.119 1
1 562 . 11 1 1 A 59 59 TRP CA C 57 57.800 59.284 -1.484 1
1 563 . 11 1 1 A 59 59 TRP CB C 57 29.800 32.218 -2.418 1
1 564 . 11 1 1 A 59 59 TRP N N 57 121.400 119.998 1.402 1
1 566 . 11 1 1 A 64 64 PRO HA H 62 4.410 4.207 0.203 1
1 571 . 11 1 1 A 64 64 PRO C C 62 176.200 177.135 -0.935 1
1 572 . 11 1 1 A 64 64 PRO CA C 62 63.300 56.707 6.593 1
1 573 . 11 1 1 A 64 64 PRO CB C 62 32.100 42.709 -10.609 1
1 576 . 11 1 1 A 65 65 LYS H H 63 8.030 7.725 0.305 1
1 577 . 11 1 1 A 65 65 LYS HA H 63 4.130 4.898 -0.768 1
1 580 . 11 1 1 A 65 65 LYS CA C 63 57.700 53.585 4.115 1
1 581 . 11 1 1 A 65 65 LYS CB C 63 33.600 33.026 0.574 1
1 3 . 12 1 1 A 4 4 MET H H 2 8.430 8.210 0.220 1
1 7 . 12 1 1 A 4 4 MET C C 2 176.000 174.766 1.234 1
1 8 . 12 1 1 A 4 4 MET CA C 2 55.400 57.739 -2.339 1
1 9 . 12 1 1 A 4 4 MET CB C 2 32.900 63.205 -30.305 1
1 11 . 12 1 1 A 4 4 MET N N 2 120.500 119.293 1.207 1
1 12 . 12 1 1 A 5 5 SER H H 3 8.400 8.373 0.027 1
1 13 . 12 1 1 A 5 5 SER HA H 3 4.500 5.018 -0.518 1
1 16 . 12 1 1 A 5 5 SER C C 3 174.700 174.803 -0.103 1
1 17 . 12 1 1 A 5 5 SER CA C 3 58.400 55.221 3.179 1
1 18 . 12 1 1 A 5 5 SER CB C 3 63.800 30.569 33.231 1
1 19 . 12 1 1 A 5 5 SER N N 3 117.300 120.125 -2.825 1
1 20 . 12 1 1 A 6 6 THR H H 4 8.210 7.516 0.694 1
1 21 . 12 1 1 A 6 6 THR HA H 4 4.330 4.425 -0.095 1
1 26 . 12 1 1 A 6 6 THR C C 4 174.000 175.098 -1.098 1
1 27 . 12 1 1 A 6 6 THR CA C 4 61.900 53.634 8.266 1
1 28 . 12 1 1 A 6 6 THR CB C 4 69.900 31.461 38.439 1
1 30 . 12 1 1 A 6 6 THR N N 4 115.400 121.540 -6.140 1
1 31 . 12 1 1 A 7 7 ASN H H 5 8.440 9.148 -0.708 1
1 32 . 12 1 1 A 7 7 ASN HA H 5 4.950 4.493 0.457 1
1 37 . 12 1 1 A 7 7 ASN CA C 5 50.900 57.620 -6.720 1
1 38 . 12 1 1 A 7 7 ASN CB C 5 39.000 60.559 -21.559 1
1 39 . 12 1 1 A 7 7 ASN N N 5 121.600 123.811 -2.211 1
1 41 . 12 1 1 A 8 8 PRO HA H 6 4.310 4.179 0.131 1
1 48 . 12 1 1 A 8 8 PRO C C 6 177.100 174.291 2.809 1
1 49 . 12 1 1 A 8 8 PRO CA C 6 64.000 63.915 0.085 1
1 50 . 12 1 1 A 8 8 PRO CB C 6 32.100 69.263 -37.163 1
1 53 . 12 1 1 A 9 9 PHE H H 7 8.020 7.779 0.241 1
1 54 . 12 1 1 A 9 9 PHE HA H 7 4.480 4.854 -0.374 1
1 59 . 12 1 1 A 9 9 PHE CA C 7 58.300 50.312 7.988 1
1 60 . 12 1 1 A 9 9 PHE CB C 7 38.800 39.842 -1.042 1
1 63 . 12 1 1 A 9 9 PHE N N 7 117.200 120.496 -3.296 1
1 64 . 12 1 1 A 12 12 ASP C C 10 176.700 174.490 2.210 1
1 65 . 12 1 1 A 12 12 ASP CA C 10 54.800 53.880 0.920 1
1 66 . 12 1 1 A 12 12 ASP CB C 10 41.000 42.379 -1.379 1
1 67 . 12 1 1 A 13 13 ASN H H 11 8.490 9.043 -0.553 1
1 70 . 12 1 1 A 13 13 ASN C C 11 175.700 174.905 0.795 1
1 71 . 12 1 1 A 13 13 ASN CA C 11 53.400 52.347 1.053 1
1 72 . 12 1 1 A 13 13 ASN CB C 11 39.200 44.158 -4.958 1
1 73 . 12 1 1 A 13 13 ASN N N 11 118.500 124.551 -6.051 1
1 75 . 12 1 1 A 14 14 GLY H H 12 8.200 9.064 -0.864 1
1 78 . 12 1 1 A 14 14 GLY C C 12 172.200 175.281 -3.081 1
1 79 . 12 1 1 A 14 14 GLY CA C 12 45.200 55.398 -10.198 1
1 80 . 12 1 1 A 14 14 GLY N N 12 108.500 121.598 -13.098 1
1 81 . 12 1 1 A 15 15 ALA H H 13 7.670 7.822 -0.152 1
1 82 . 12 1 1 A 15 15 ALA HA H 13 4.600 4.852 -0.252 1
1 86 . 12 1 1 A 15 15 ALA C C 13 176.500 175.189 1.311 1
1 87 . 12 1 1 A 15 15 ALA CA C 13 51.400 52.525 -1.125 1
1 88 . 12 1 1 A 15 15 ALA CB C 13 21.000 39.082 -18.082 1
1 89 . 12 1 1 A 15 15 ALA N N 13 122.600 117.507 5.093 1
1 90 . 12 1 1 A 16 16 PHE H H 14 9.350 8.792 0.558 1
1 98 . 12 1 1 A 16 16 PHE C C 14 174.300 173.471 0.829 1
1 99 . 12 1 1 A 16 16 PHE CA C 14 57.600 46.638 10.962 1
1 105 . 12 1 1 A 16 16 PHE N N 14 120.000 111.658 8.342 1
1 106 . 12 1 1 A 17 17 PHE H H 15 9.550 8.275 1.275 1
1 107 . 12 1 1 A 17 17 PHE HA H 15 5.600 3.862 1.738 1
1 112 . 12 1 1 A 17 17 PHE C C 15 177.700 177.021 0.679 1
1 113 . 12 1 1 A 17 17 PHE CA C 15 55.900 51.631 4.269 1
1 114 . 12 1 1 A 17 17 PHE CB C 15 44.100 19.779 24.321 1
1 117 . 12 1 1 A 17 17 PHE N N 15 115.700 126.473 -10.773 1
1 118 . 12 1 1 A 18 18 VAL H H 16 8.670 7.828 0.842 1
1 119 . 12 1 1 A 18 18 VAL HA H 16 4.220 5.631 -1.411 1
1 127 . 12 1 1 A 18 18 VAL C C 16 175.200 173.214 1.986 1
1 128 . 12 1 1 A 18 18 VAL CA C 16 62.700 55.762 6.938 1
1 129 . 12 1 1 A 18 18 VAL CB C 16 32.700 42.953 -10.253 1
1 132 . 12 1 1 A 18 18 VAL N N 16 117.200 115.557 1.643 1
1 133 . 12 1 1 A 19 19 LEU H H 17 9.500 9.848 -0.348 1
1 134 . 12 1 1 A 19 19 LEU HA H 17 5.730 5.252 0.478 1
1 144 . 12 1 1 A 19 19 LEU C C 17 176.700 175.414 1.286 1
1 145 . 12 1 1 A 19 19 LEU CA C 17 52.100 56.540 -4.440 1
1 146 . 12 1 1 A 19 19 LEU CB C 17 46.800 42.831 3.969 1
1 150 . 12 1 1 A 19 19 LEU N N 17 127.100 118.829 8.271 1
1 151 . 12 1 1 A 20 20 VAL H H 18 9.170 9.004 0.166 1
1 152 . 12 1 1 A 20 20 VAL HA H 18 5.710 4.544 1.166 1
1 160 . 12 1 1 A 20 20 VAL C C 18 174.800 174.976 -0.176 1
1 161 . 12 1 1 A 20 20 VAL CA C 18 59.300 62.789 -3.489 1
1 162 . 12 1 1 A 20 20 VAL CB C 18 36.700 31.043 5.657 1
1 165 . 12 1 1 A 20 20 VAL N N 18 115.900 122.691 -6.791 1
1 166 . 12 1 1 A 21 21 ASN H H 19 7.320 9.225 -1.905 1
1 167 . 12 1 1 A 21 21 ASN HA H 19 4.720 5.300 -0.580 1
1 170 . 12 1 1 A 21 21 ASN C C 19 177.700 174.858 2.842 1
1 171 . 12 1 1 A 21 21 ASN CA C 19 49.700 53.662 -3.962 1
1 172 . 12 1 1 A 21 21 ASN CB C 19 37.500 45.111 -7.611 1
1 173 . 12 1 1 A 21 21 ASN N N 19 122.600 130.156 -7.556 1
1 174 . 12 1 1 A 22 22 ASP H H 20 8.240 9.333 -1.093 1
1 175 . 12 1 1 A 22 22 ASP HA H 20 4.400 4.869 -0.469 1
1 178 . 12 1 1 A 22 22 ASP C C 20 176.600 174.275 2.325 1
1 179 . 12 1 1 A 22 22 ASP CA C 20 56.400 60.694 -4.294 1
1 180 . 12 1 1 A 22 22 ASP CB C 20 40.100 35.387 4.713 1
1 181 . 12 1 1 A 22 22 ASP N N 20 117.500 126.567 -9.067 1
1 182 . 12 1 1 A 23 23 GLU H H 21 7.220 8.859 -1.639 1
1 183 . 12 1 1 A 23 23 GLU HA H 21 4.380 5.226 -0.846 1
1 188 . 12 1 1 A 23 23 GLU C C 21 175.500 175.343 0.157 1
1 189 . 12 1 1 A 23 23 GLU CA C 21 55.600 51.484 4.116 1
1 190 . 12 1 1 A 23 23 GLU CB C 21 29.500 41.498 -11.998 1
1 192 . 12 1 1 A 23 23 GLU N N 21 118.100 124.520 -6.420 1
1 193 . 12 1 1 A 24 24 ASP H H 22 8.030 9.006 -0.976 1
1 194 . 12 1 1 A 24 24 ASP HA H 22 4.280 4.292 -0.012 1
1 197 . 12 1 1 A 24 24 ASP CA C 22 56.200 57.580 -1.380 1
1 198 . 12 1 1 A 24 24 ASP CB C 22 40.000 40.682 -0.682 1
1 199 . 12 1 1 A 24 24 ASP N N 22 115.700 126.776 -11.076 1
1 200 . 12 1 1 A 25 25 GLN H H 23 7.710 8.184 -0.474 1
1 201 . 12 1 1 A 25 25 GLN HA H 23 4.270 4.348 -0.078 1
1 206 . 12 1 1 A 25 25 GLN C C 23 175.300 174.987 0.313 1
1 207 . 12 1 1 A 25 25 GLN CA C 23 55.200 55.980 -0.780 1
1 208 . 12 1 1 A 25 25 GLN CB C 23 29.400 29.282 0.118 1
1 209 . 12 1 1 A 25 25 GLN N N 23 116.800 115.019 1.781 1
1 210 . 12 1 1 A 26 26 HIS H H 24 8.870 7.654 1.216 1
1 211 . 12 1 1 A 26 26 HIS HA H 24 6.030 4.986 1.044 1
1 214 . 12 1 1 A 26 26 HIS CA C 24 54.400 52.558 1.842 1
1 215 . 12 1 1 A 26 26 HIS CB C 24 32.700 43.102 -10.402 1
1 216 . 12 1 1 A 26 26 HIS N N 24 113.400 120.533 -7.133 1
1 219 . 12 1 1 A 27 27 SER CB C 25 66.800 30.295 36.505 1
1 220 . 12 1 1 A 28 28 LEU HA H 26 5.430 5.103 0.327 1
1 230 . 12 1 1 A 28 28 LEU CA C 26 56.100 54.907 1.193 1
1 231 . 12 1 1 A 28 28 LEU CB C 26 43.600 33.771 9.829 1
1 235 . 12 1 1 A 29 29 TRP HA H 27 5.320 5.003 0.317 1
1 242 . 12 1 1 A 29 29 TRP CA C 27 54.100 57.988 -3.888 1
1 243 . 12 1 1 A 29 29 TRP CB C 27 36.000 64.406 -28.406 1
1 248 . 12 1 1 A 30 30 PRO C C 28 177.500 175.420 2.080 1
1 249 . 12 1 1 A 30 30 PRO CA C 28 62.400 54.044 8.356 1
1 250 . 12 1 1 A 30 30 PRO CB C 28 31.700 42.607 -10.907 1
1 253 . 12 1 1 A 31 31 VAL H H 29 7.000 8.996 -1.996 1
1 254 . 12 1 1 A 31 31 VAL HA H 29 3.710 5.402 -1.692 1
1 262 . 12 1 1 A 31 31 VAL CA C 29 63.600 55.098 8.502 1
1 263 . 12 1 1 A 31 31 VAL CB C 29 31.200 31.956 -0.756 1
1 266 . 12 1 1 A 31 31 VAL N N 29 114.100 129.088 -14.988 1
1 270 . 12 1 1 A 33 33 ALA C C 31 177.500 177.175 0.325 1
1 271 . 12 1 1 A 33 33 ALA CA C 31 50.900 64.303 -13.403 1
1 272 . 12 1 1 A 33 33 ALA CB C 31 20.200 31.297 -11.097 1
1 273 . 12 1 1 A 34 34 ASP H H 32 8.830 7.643 1.187 1
1 274 . 12 1 1 A 34 34 ASP HA H 32 4.500 4.218 0.282 1
1 277 . 12 1 1 A 34 34 ASP C C 32 176.900 174.912 1.988 1
1 278 . 12 1 1 A 34 34 ASP CA C 32 55.200 59.674 -4.474 1
1 279 . 12 1 1 A 34 34 ASP CB C 32 40.400 39.796 0.604 1
1 280 . 12 1 1 A 34 34 ASP N N 32 124.600 121.843 2.757 1
1 281 . 12 1 1 A 35 35 ILE H H 33 8.590 7.246 1.344 1
1 282 . 12 1 1 A 35 35 ILE HA H 33 3.610 4.415 -0.805 1
1 292 . 12 1 1 A 35 35 ILE C C 33 176.100 176.210 -0.110 1
1 293 . 12 1 1 A 35 35 ILE CA C 33 58.600 50.133 8.467 1
1 294 . 12 1 1 A 35 35 ILE CB C 33 37.600 20.269 17.331 1
1 298 . 12 1 1 A 35 35 ILE N N 33 125.200 120.173 5.027 1
1 299 . 12 1 1 A 36 36 PRO HA H 34 4.290 4.708 -0.418 1
1 306 . 12 1 1 A 36 36 PRO C C 34 179.400 176.479 2.921 1
1 307 . 12 1 1 A 36 36 PRO CA C 34 62.600 54.607 7.993 1
1 308 . 12 1 1 A 36 36 PRO CB C 34 31.600 41.371 -9.771 1
1 311 . 12 1 1 A 37 37 ALA H H 35 8.300 8.426 -0.126 1
1 312 . 12 1 1 A 37 37 ALA HA H 35 4.190 4.288 -0.098 1
1 316 . 12 1 1 A 37 37 ALA CA C 35 53.600 58.923 -5.323 1
1 317 . 12 1 1 A 37 37 ALA CB C 35 18.400 37.840 -19.440 1
1 318 . 12 1 1 A 37 37 ALA N N 35 123.600 125.907 -2.307 1
1 322 . 12 1 1 A 38 38 GLY C C 36 174.000 175.862 -1.862 1
1 323 . 12 1 1 A 38 38 GLY CA C 36 45.000 62.210 -17.210 1
1 324 . 12 1 1 A 38 38 GLY N N 36 110.200 141.395 -31.195 1
1 325 . 12 1 1 A 39 39 TRP H H 37 7.700 8.336 -0.636 1
1 326 . 12 1 1 A 39 39 TRP HA H 37 4.900 4.782 0.118 1
1 331 . 12 1 1 A 39 39 TRP C C 37 175.000 177.917 -2.917 1
1 332 . 12 1 1 A 39 39 TRP CA C 37 56.000 51.934 4.066 1
1 333 . 12 1 1 A 39 39 TRP CB C 37 31.800 21.145 10.655 1
1 335 . 12 1 1 A 39 39 TRP N N 37 120.800 121.870 -1.070 1
1 337 . 12 1 1 A 40 40 ARG H H 38 9.050 8.705 0.345 1
1 344 . 12 1 1 A 40 40 ARG C C 38 174.900 173.932 0.968 1
1 345 . 12 1 1 A 40 40 ARG CA C 38 54.000 46.340 7.660 1
1 349 . 12 1 1 A 40 40 ARG N N 38 118.200 108.820 9.380 1
1 350 . 12 1 1 A 41 41 VAL H H 39 8.660 7.520 1.140 1
1 351 . 12 1 1 A 41 41 VAL HA H 39 4.040 4.673 -0.633 1
1 359 . 12 1 1 A 41 41 VAL C C 39 178.000 175.154 2.846 1
1 360 . 12 1 1 A 41 41 VAL CA C 39 63.800 57.024 6.776 1
1 361 . 12 1 1 A 41 41 VAL CB C 39 32.400 31.160 1.240 1
1 364 . 12 1 1 A 41 41 VAL N N 39 122.700 119.939 2.761 1
1 365 . 12 1 1 A 42 42 VAL H H 40 9.090 8.827 0.263 1
1 366 . 12 1 1 A 42 42 VAL HA H 40 4.740 5.018 -0.278 1
1 374 . 12 1 1 A 42 42 VAL C C 40 174.800 174.518 0.282 1
1 375 . 12 1 1 A 42 42 VAL CA C 40 61.000 54.987 6.013 1
1 376 . 12 1 1 A 42 42 VAL CB C 40 34.100 33.800 0.300 1
1 379 . 12 1 1 A 42 42 VAL N N 40 119.800 120.819 -1.019 1
1 380 . 12 1 1 A 43 43 HIS H H 41 7.700 9.145 -1.445 1
1 381 . 12 1 1 A 43 43 HIS HA H 41 4.530 4.479 0.051 1
1 384 . 12 1 1 A 43 43 HIS C C 41 173.400 175.481 -2.081 1
1 385 . 12 1 1 A 43 43 HIS CA C 41 57.500 62.947 -5.447 1
1 386 . 12 1 1 A 43 43 HIS CB C 41 32.800 31.848 0.952 1
1 387 . 12 1 1 A 43 43 HIS N N 41 119.700 127.742 -8.042 1
1 388 . 12 1 1 A 44 44 GLY H H 42 7.590 8.979 -1.389 1
1 391 . 12 1 1 A 44 44 GLY C C 42 174.600 176.153 -1.553 1
1 392 . 12 1 1 A 44 44 GLY CA C 42 42.400 64.322 -21.922 1
1 393 . 12 1 1 A 44 44 GLY N N 42 112.000 129.284 -17.284 1
1 394 . 12 1 1 A 45 45 GLU H H 43 8.700 7.552 1.148 1
1 395 . 12 1 1 A 45 45 GLU HA H 43 4.120 5.048 -0.928 1
1 400 . 12 1 1 A 45 45 GLU C C 43 175.200 175.362 -0.162 1
1 401 . 12 1 1 A 45 45 GLU CA C 43 56.900 54.491 2.409 1
1 402 . 12 1 1 A 45 45 GLU CB C 43 30.900 33.261 -2.361 1
1 404 . 12 1 1 A 45 45 GLU N N 43 121.700 116.012 5.688 1
1 405 . 12 1 1 A 46 46 ALA H H 44 9.400 8.492 0.908 1
1 409 . 12 1 1 A 46 46 ALA C C 44 175.100 173.008 2.092 1
1 410 . 12 1 1 A 46 46 ALA CA C 44 51.100 43.846 7.254 1
1 412 . 12 1 1 A 46 46 ALA N N 44 127.000 108.058 18.942 1
1 413 . 12 1 1 A 47 47 SER H H 45 8.710 8.304 0.406 1
1 414 . 12 1 1 A 47 47 SER HA H 45 4.730 4.913 -0.183 1
1 417 . 12 1 1 A 47 47 SER C C 45 175.000 176.313 -1.313 1
1 418 . 12 1 1 A 47 47 SER CA C 45 57.900 55.728 2.172 1
1 419 . 12 1 1 A 47 47 SER CB C 45 64.900 29.166 35.734 1
1 420 . 12 1 1 A 47 47 SER N N 45 115.300 120.813 -5.513 1
1 421 . 12 1 1 A 48 48 ARG H H 46 9.520 8.451 1.069 1
1 422 . 12 1 1 A 48 48 ARG HA H 46 3.390 4.908 -1.518 1
1 429 . 12 1 1 A 48 48 ARG C C 46 178.300 177.280 1.020 1
1 430 . 12 1 1 A 48 48 ARG CA C 46 61.000 50.093 10.907 1
1 431 . 12 1 1 A 48 48 ARG CB C 46 30.100 22.395 7.705 1
1 434 . 12 1 1 A 48 48 ARG N N 46 123.400 128.166 -4.766 1
1 435 . 12 1 1 A 49 49 ALA H H 47 8.620 8.489 0.131 1
1 436 . 12 1 1 A 49 49 ALA HA H 47 3.970 4.542 -0.572 1
1 440 . 12 1 1 A 49 49 ALA C C 47 180.500 174.762 5.738 1
1 441 . 12 1 1 A 49 49 ALA CA C 47 55.400 60.241 -4.841 1
1 442 . 12 1 1 A 49 49 ALA CB C 47 18.200 63.713 -45.513 1
1 443 . 12 1 1 A 49 49 ALA N N 47 118.800 115.593 3.207 1
1 444 . 12 1 1 A 50 50 ALA H H 48 8.130 8.898 -0.768 1
1 445 . 12 1 1 A 50 50 ALA HA H 48 4.260 3.373 0.887 1
1 449 . 12 1 1 A 50 50 ALA C C 48 182.500 177.762 4.738 1
1 450 . 12 1 1 A 50 50 ALA CA C 48 54.900 59.630 -4.730 1
1 451 . 12 1 1 A 50 50 ALA CB C 48 19.100 29.294 -10.194 1
1 452 . 12 1 1 A 50 50 ALA N N 48 122.100 125.873 -3.773 1
1 453 . 12 1 1 A 51 51 CYS H H 49 8.530 8.002 0.528 1
1 454 . 12 1 1 A 51 51 CYS HA H 49 4.070 4.061 0.009 1
1 457 . 12 1 1 A 51 51 CYS C C 49 176.800 180.009 -3.209 1
1 458 . 12 1 1 A 51 51 CYS CA C 49 65.000 54.997 10.003 1
1 459 . 12 1 1 A 51 51 CYS CB C 49 27.100 17.809 9.291 1
1 460 . 12 1 1 A 51 51 CYS N N 49 119.000 120.366 -1.366 1
1 461 . 12 1 1 A 52 52 LEU H H 50 8.660 7.942 0.718 1
1 462 . 12 1 1 A 52 52 LEU HA H 50 3.990 4.095 -0.105 1
1 472 . 12 1 1 A 52 52 LEU C C 50 179.800 179.548 0.252 1
1 473 . 12 1 1 A 52 52 LEU CA C 50 58.200 54.992 3.208 1
1 474 . 12 1 1 A 52 52 LEU CB C 50 41.000 18.300 22.700 1
1 478 . 12 1 1 A 52 52 LEU N N 50 121.100 119.290 1.810 1
1 479 . 12 1 1 A 53 53 ASP H H 51 8.020 8.276 -0.256 1
1 480 . 12 1 1 A 53 53 ASP HA H 51 4.370 4.140 0.230 1
1 483 . 12 1 1 A 53 53 ASP C C 51 177.500 177.125 0.375 1
1 484 . 12 1 1 A 53 53 ASP CA C 51 57.500 63.742 -6.242 1
1 485 . 12 1 1 A 53 53 ASP CB C 51 41.500 27.294 14.206 1
1 486 . 12 1 1 A 53 53 ASP N N 51 120.300 116.134 4.166 1
1 487 . 12 1 1 A 54 54 TYR H H 52 7.760 8.241 -0.481 1
1 488 . 12 1 1 A 54 54 TYR HA H 52 3.770 3.900 -0.130 1
1 495 . 12 1 1 A 54 54 TYR C C 52 179.000 178.874 0.126 1
1 496 . 12 1 1 A 54 54 TYR CA C 52 62.300 57.854 4.446 1
1 497 . 12 1 1 A 54 54 TYR CB C 52 37.700 40.916 -3.216 1
1 502 . 12 1 1 A 54 54 TYR N N 52 119.700 120.118 -0.418 1
1 503 . 12 1 1 A 55 55 VAL H H 53 8.250 8.295 -0.045 1
1 504 . 12 1 1 A 55 55 VAL HA H 53 3.580 4.280 -0.700 1
1 512 . 12 1 1 A 55 55 VAL C C 53 177.700 177.857 -0.157 1
1 513 . 12 1 1 A 55 55 VAL CA C 53 66.800 57.342 9.458 1
1 514 . 12 1 1 A 55 55 VAL CB C 53 31.900 41.664 -9.764 1
1 517 . 12 1 1 A 55 55 VAL N N 53 120.200 119.493 0.707 1
1 518 . 12 1 1 A 56 56 GLU H H 54 8.170 8.593 -0.423 1
1 519 . 12 1 1 A 56 56 GLU HA H 54 4.010 4.126 -0.116 1
1 524 . 12 1 1 A 56 56 GLU C C 54 178.700 177.603 1.097 1
1 525 . 12 1 1 A 56 56 GLU CA C 54 59.200 61.340 -2.140 1
1 526 . 12 1 1 A 56 56 GLU CB C 54 29.600 38.675 -9.075 1
1 528 . 12 1 1 A 56 56 GLU N N 54 119.600 121.118 -1.518 1
1 529 . 12 1 1 A 57 57 LYS H H 55 7.800 8.118 -0.318 1
1 530 . 12 1 1 A 57 57 LYS HA H 55 4.040 2.835 1.205 1
1 539 . 12 1 1 A 57 57 LYS C C 55 177.900 178.105 -0.205 1
1 540 . 12 1 1 A 57 57 LYS CA C 55 57.900 65.936 -8.036 1
1 541 . 12 1 1 A 57 57 LYS CB C 55 33.300 31.270 2.030 1
1 545 . 12 1 1 A 57 57 LYS N N 55 115.700 118.949 -3.249 1
1 546 . 12 1 1 A 58 58 ASN H H 56 7.570 8.153 -0.583 1
1 547 . 12 1 1 A 58 58 ASN HA H 56 4.490 4.039 0.451 1
1 552 . 12 1 1 A 58 58 ASN C C 56 174.300 179.524 -5.224 1
1 553 . 12 1 1 A 58 58 ASN CA C 56 54.700 59.287 -4.587 1
1 554 . 12 1 1 A 58 58 ASN CB C 56 40.100 28.982 11.118 1
1 555 . 12 1 1 A 58 58 ASN N N 56 115.000 121.866 -6.866 1
1 557 . 12 1 1 A 59 59 TRP H H 57 8.120 7.995 0.125 1
1 562 . 12 1 1 A 59 59 TRP CA C 57 57.800 59.458 -1.658 1
1 563 . 12 1 1 A 59 59 TRP CB C 57 29.800 32.256 -2.456 1
1 564 . 12 1 1 A 59 59 TRP N N 57 121.400 120.246 1.154 1
1 566 . 12 1 1 A 64 64 PRO HA H 62 4.410 4.276 0.134 1
1 571 . 12 1 1 A 64 64 PRO C C 62 176.200 175.771 0.429 1
1 572 . 12 1 1 A 64 64 PRO CA C 62 63.300 53.675 9.625 1
1 573 . 12 1 1 A 64 64 PRO CB C 62 32.100 40.218 -8.118 1
1 576 . 12 1 1 A 65 65 LYS H H 63 8.030 7.946 0.084 1
1 577 . 12 1 1 A 65 65 LYS HA H 63 4.130 4.886 -0.756 1
1 580 . 12 1 1 A 65 65 LYS CA C 63 57.700 52.670 5.030 1
1 581 . 12 1 1 A 65 65 LYS CB C 63 33.600 31.494 2.106 1
1 3 . 13 1 1 A 4 4 MET H H 2 8.430 7.911 0.519 1
1 7 . 13 1 1 A 4 4 MET C C 2 176.000 173.266 2.734 1
1 8 . 13 1 1 A 4 4 MET CA C 2 55.400 58.073 -2.673 1
1 9 . 13 1 1 A 4 4 MET CB C 2 32.900 64.950 -32.050 1
1 11 . 13 1 1 A 4 4 MET N N 2 120.500 115.223 5.277 1
1 12 . 13 1 1 A 5 5 SER H H 3 8.400 8.584 -0.184 1
1 13 . 13 1 1 A 5 5 SER HA H 3 4.500 5.036 -0.536 1
1 16 . 13 1 1 A 5 5 SER C C 3 174.700 173.978 0.722 1
1 17 . 13 1 1 A 5 5 SER CA C 3 58.400 55.111 3.289 1
1 18 . 13 1 1 A 5 5 SER CB C 3 63.800 34.005 29.795 1
1 19 . 13 1 1 A 5 5 SER N N 3 117.300 117.741 -0.441 1
1 20 . 13 1 1 A 6 6 THR H H 4 8.210 8.711 -0.501 1
1 21 . 13 1 1 A 6 6 THR HA H 4 4.330 4.383 -0.053 1
1 26 . 13 1 1 A 6 6 THR C C 4 174.000 175.197 -1.197 1
1 27 . 13 1 1 A 6 6 THR CA C 4 61.900 55.777 6.123 1
1 28 . 13 1 1 A 6 6 THR CB C 4 69.900 32.901 36.999 1
1 30 . 13 1 1 A 6 6 THR N N 4 115.400 120.749 -5.349 1
1 31 . 13 1 1 A 7 7 ASN H H 5 8.440 8.800 -0.360 1
1 32 . 13 1 1 A 7 7 ASN HA H 5 4.950 4.784 0.166 1
1 37 . 13 1 1 A 7 7 ASN CA C 5 50.900 57.009 -6.109 1
1 38 . 13 1 1 A 7 7 ASN CB C 5 39.000 63.069 -24.069 1
1 39 . 13 1 1 A 7 7 ASN N N 5 121.600 122.620 -1.020 1
1 41 . 13 1 1 A 8 8 PRO HA H 6 4.310 4.308 0.002 1
1 48 . 13 1 1 A 8 8 PRO C C 6 177.100 174.107 2.993 1
1 49 . 13 1 1 A 8 8 PRO CA C 6 64.000 65.142 -1.142 1
1 50 . 13 1 1 A 8 8 PRO CB C 6 32.100 69.527 -37.427 1
1 53 . 13 1 1 A 9 9 PHE H H 7 8.020 7.884 0.136 1
1 54 . 13 1 1 A 9 9 PHE HA H 7 4.480 5.015 -0.535 1
1 59 . 13 1 1 A 9 9 PHE CA C 7 58.300 49.666 8.634 1
1 60 . 13 1 1 A 9 9 PHE CB C 7 38.800 39.516 -0.716 1
1 63 . 13 1 1 A 9 9 PHE N N 7 117.200 118.841 -1.641 1
1 64 . 13 1 1 A 12 12 ASP C C 10 176.700 175.056 1.644 1
1 65 . 13 1 1 A 12 12 ASP CA C 10 54.800 53.654 1.146 1
1 66 . 13 1 1 A 12 12 ASP CB C 10 41.000 40.474 0.526 1
1 67 . 13 1 1 A 13 13 ASN H H 11 8.490 8.469 0.021 1
1 70 . 13 1 1 A 13 13 ASN C C 11 175.700 175.715 -0.015 1
1 71 . 13 1 1 A 13 13 ASN CA C 11 53.400 54.417 -1.017 1
1 72 . 13 1 1 A 13 13 ASN CB C 11 39.200 42.473 -3.273 1
1 73 . 13 1 1 A 13 13 ASN N N 11 118.500 125.373 -6.873 1
1 75 . 13 1 1 A 14 14 GLY H H 12 8.200 8.704 -0.504 1
1 78 . 13 1 1 A 14 14 GLY C C 12 172.200 176.414 -4.214 1
1 79 . 13 1 1 A 14 14 GLY CA C 12 45.200 56.199 -10.999 1
1 80 . 13 1 1 A 14 14 GLY N N 12 108.500 121.754 -13.254 1
1 81 . 13 1 1 A 15 15 ALA H H 13 7.670 7.267 0.403 1
1 82 . 13 1 1 A 15 15 ALA HA H 13 4.600 4.670 -0.070 1
1 86 . 13 1 1 A 15 15 ALA C C 13 176.500 175.518 0.982 1
1 87 . 13 1 1 A 15 15 ALA CA C 13 51.400 51.857 -0.457 1
1 88 . 13 1 1 A 15 15 ALA CB C 13 21.000 39.935 -18.935 1
1 89 . 13 1 1 A 15 15 ALA N N 13 122.600 115.735 6.865 1
1 90 . 13 1 1 A 16 16 PHE H H 14 9.350 8.299 1.051 1
1 98 . 13 1 1 A 16 16 PHE C C 14 174.300 173.280 1.020 1
1 99 . 13 1 1 A 16 16 PHE CA C 14 57.600 45.056 12.544 1
1 105 . 13 1 1 A 16 16 PHE N N 14 120.000 106.686 13.314 1
1 106 . 13 1 1 A 17 17 PHE H H 15 9.550 8.305 1.245 1
1 107 . 13 1 1 A 17 17 PHE HA H 15 5.600 4.153 1.447 1
1 112 . 13 1 1 A 17 17 PHE C C 15 177.700 176.734 0.966 1
1 113 . 13 1 1 A 17 17 PHE CA C 15 55.900 50.990 4.910 1
1 114 . 13 1 1 A 17 17 PHE CB C 15 44.100 20.154 23.946 1
1 117 . 13 1 1 A 17 17 PHE N N 15 115.700 123.132 -7.432 1
1 118 . 13 1 1 A 18 18 VAL H H 16 8.670 8.008 0.662 1
1 119 . 13 1 1 A 18 18 VAL HA H 16 4.220 5.563 -1.343 1
1 127 . 13 1 1 A 18 18 VAL C C 16 175.200 173.143 2.057 1
1 128 . 13 1 1 A 18 18 VAL CA C 16 62.700 55.615 7.085 1
1 129 . 13 1 1 A 18 18 VAL CB C 16 32.700 42.964 -10.264 1
1 132 . 13 1 1 A 18 18 VAL N N 16 117.200 114.963 2.237 1
1 133 . 13 1 1 A 19 19 LEU H H 17 9.500 9.775 -0.275 1
1 134 . 13 1 1 A 19 19 LEU HA H 17 5.730 5.340 0.390 1
1 144 . 13 1 1 A 19 19 LEU C C 17 176.700 175.204 1.496 1
1 145 . 13 1 1 A 19 19 LEU CA C 17 52.100 56.933 -4.833 1
1 146 . 13 1 1 A 19 19 LEU CB C 17 46.800 43.094 3.706 1
1 150 . 13 1 1 A 19 19 LEU N N 17 127.100 118.701 8.399 1
1 151 . 13 1 1 A 20 20 VAL H H 18 9.170 9.137 0.033 1
1 152 . 13 1 1 A 20 20 VAL HA H 18 5.710 4.728 0.982 1
1 160 . 13 1 1 A 20 20 VAL C C 18 174.800 174.639 0.161 1
1 161 . 13 1 1 A 20 20 VAL CA C 18 59.300 62.454 -3.154 1
1 162 . 13 1 1 A 20 20 VAL CB C 18 36.700 31.573 5.127 1
1 165 . 13 1 1 A 20 20 VAL N N 18 115.900 121.260 -5.360 1
1 166 . 13 1 1 A 21 21 ASN H H 19 7.320 9.274 -1.954 1
1 167 . 13 1 1 A 21 21 ASN HA H 19 4.720 5.283 -0.563 1
1 170 . 13 1 1 A 21 21 ASN C C 19 177.700 174.808 2.892 1
1 171 . 13 1 1 A 21 21 ASN CA C 19 49.700 53.641 -3.941 1
1 172 . 13 1 1 A 21 21 ASN CB C 19 37.500 44.808 -7.308 1
1 173 . 13 1 1 A 21 21 ASN N N 19 122.600 130.261 -7.661 1
1 174 . 13 1 1 A 22 22 ASP H H 20 8.240 9.158 -0.918 1
1 175 . 13 1 1 A 22 22 ASP HA H 20 4.400 4.861 -0.461 1
1 178 . 13 1 1 A 22 22 ASP C C 20 176.600 173.919 2.681 1
1 179 . 13 1 1 A 22 22 ASP CA C 20 56.400 60.927 -4.527 1
1 180 . 13 1 1 A 22 22 ASP CB C 20 40.100 34.620 5.480 1
1 181 . 13 1 1 A 22 22 ASP N N 20 117.500 127.230 -9.730 1
1 182 . 13 1 1 A 23 23 GLU H H 21 7.220 8.924 -1.704 1
1 183 . 13 1 1 A 23 23 GLU HA H 21 4.380 5.151 -0.771 1
1 188 . 13 1 1 A 23 23 GLU C C 21 175.500 175.495 0.005 1
1 189 . 13 1 1 A 23 23 GLU CA C 21 55.600 52.045 3.555 1
1 190 . 13 1 1 A 23 23 GLU CB C 21 29.500 40.656 -11.156 1
1 192 . 13 1 1 A 23 23 GLU N N 21 118.100 126.173 -8.073 1
1 193 . 13 1 1 A 24 24 ASP H H 22 8.030 9.086 -1.056 1
1 194 . 13 1 1 A 24 24 ASP HA H 22 4.280 4.271 0.009 1
1 197 . 13 1 1 A 24 24 ASP CA C 22 56.200 57.472 -1.272 1
1 198 . 13 1 1 A 24 24 ASP CB C 22 40.000 40.681 -0.681 1
1 199 . 13 1 1 A 24 24 ASP N N 22 115.700 127.074 -11.374 1
1 200 . 13 1 1 A 25 25 GLN H H 23 7.710 7.454 0.256 1
1 201 . 13 1 1 A 25 25 GLN HA H 23 4.270 4.412 -0.142 1
1 206 . 13 1 1 A 25 25 GLN C C 23 175.300 174.864 0.436 1
1 207 . 13 1 1 A 25 25 GLN CA C 23 55.200 55.778 -0.578 1
1 208 . 13 1 1 A 25 25 GLN CB C 23 29.400 29.767 -0.367 1
1 209 . 13 1 1 A 25 25 GLN N N 23 116.800 115.739 1.061 1
1 210 . 13 1 1 A 26 26 HIS H H 24 8.870 7.839 1.031 1
1 211 . 13 1 1 A 26 26 HIS HA H 24 6.030 4.884 1.146 1
1 214 . 13 1 1 A 26 26 HIS CA C 24 54.400 52.382 2.018 1
1 215 . 13 1 1 A 26 26 HIS CB C 24 32.700 43.660 -10.960 1
1 216 . 13 1 1 A 26 26 HIS N N 24 113.400 121.552 -8.152 1
1 219 . 13 1 1 A 27 27 SER CB C 25 66.800 30.103 36.697 1
1 220 . 13 1 1 A 28 28 LEU HA H 26 5.430 4.860 0.570 1
1 230 . 13 1 1 A 28 28 LEU CA C 26 56.100 54.893 1.207 1
1 231 . 13 1 1 A 28 28 LEU CB C 26 43.600 31.637 11.963 1
1 235 . 13 1 1 A 29 29 TRP HA H 27 5.320 4.987 0.333 1
1 242 . 13 1 1 A 29 29 TRP CA C 27 54.100 58.014 -3.914 1
1 243 . 13 1 1 A 29 29 TRP CB C 27 36.000 64.386 -28.386 1
1 248 . 13 1 1 A 30 30 PRO C C 28 177.500 175.614 1.886 1
1 249 . 13 1 1 A 30 30 PRO CA C 28 62.400 54.589 7.811 1
1 250 . 13 1 1 A 30 30 PRO CB C 28 31.700 42.069 -10.369 1
1 253 . 13 1 1 A 31 31 VAL H H 29 7.000 8.923 -1.923 1
1 254 . 13 1 1 A 31 31 VAL HA H 29 3.710 5.354 -1.644 1
1 262 . 13 1 1 A 31 31 VAL CA C 29 63.600 54.947 8.653 1
1 263 . 13 1 1 A 31 31 VAL CB C 29 31.200 31.394 -0.194 1
1 266 . 13 1 1 A 31 31 VAL N N 29 114.100 129.122 -15.022 1
1 270 . 13 1 1 A 33 33 ALA C C 31 177.500 176.644 0.856 1
1 271 . 13 1 1 A 33 33 ALA CA C 31 50.900 63.359 -12.459 1
1 272 . 13 1 1 A 33 33 ALA CB C 31 20.200 31.300 -11.100 1
1 273 . 13 1 1 A 34 34 ASP H H 32 8.830 7.845 0.985 1
1 274 . 13 1 1 A 34 34 ASP HA H 32 4.500 4.240 0.260 1
1 277 . 13 1 1 A 34 34 ASP C C 32 176.900 175.183 1.717 1
1 278 . 13 1 1 A 34 34 ASP CA C 32 55.200 59.716 -4.516 1
1 279 . 13 1 1 A 34 34 ASP CB C 32 40.400 39.766 0.634 1
1 280 . 13 1 1 A 34 34 ASP N N 32 124.600 122.026 2.574 1
1 281 . 13 1 1 A 35 35 ILE H H 33 8.590 7.224 1.366 1
1 282 . 13 1 1 A 35 35 ILE HA H 33 3.610 4.221 -0.611 1
1 292 . 13 1 1 A 35 35 ILE C C 33 176.100 177.092 -0.992 1
1 293 . 13 1 1 A 35 35 ILE CA C 33 58.600 50.881 7.719 1
1 294 . 13 1 1 A 35 35 ILE CB C 33 37.600 20.862 16.738 1
1 298 . 13 1 1 A 35 35 ILE N N 33 125.200 120.547 4.653 1
1 299 . 13 1 1 A 36 36 PRO HA H 34 4.290 4.752 -0.462 1
1 306 . 13 1 1 A 36 36 PRO C C 34 179.400 176.044 3.356 1
1 307 . 13 1 1 A 36 36 PRO CA C 34 62.600 54.656 7.944 1
1 308 . 13 1 1 A 36 36 PRO CB C 34 31.600 41.347 -9.747 1
1 311 . 13 1 1 A 37 37 ALA H H 35 8.300 8.745 -0.445 1
1 312 . 13 1 1 A 37 37 ALA HA H 35 4.190 4.576 -0.386 1
1 316 . 13 1 1 A 37 37 ALA CA C 35 53.600 57.766 -4.166 1
1 317 . 13 1 1 A 37 37 ALA CB C 35 18.400 38.290 -19.890 1
1 318 . 13 1 1 A 37 37 ALA N N 35 123.600 125.781 -2.181 1
1 322 . 13 1 1 A 38 38 GLY C C 36 174.000 175.907 -1.907 1
1 323 . 13 1 1 A 38 38 GLY CA C 36 45.000 62.372 -17.372 1
1 324 . 13 1 1 A 38 38 GLY N N 36 110.200 142.952 -32.752 1
1 325 . 13 1 1 A 39 39 TRP H H 37 7.700 8.376 -0.676 1
1 326 . 13 1 1 A 39 39 TRP HA H 37 4.900 5.118 -0.218 1
1 331 . 13 1 1 A 39 39 TRP C C 37 175.000 177.778 -2.778 1
1 332 . 13 1 1 A 39 39 TRP CA C 37 56.000 51.125 4.875 1
1 333 . 13 1 1 A 39 39 TRP CB C 37 31.800 22.416 9.384 1
1 335 . 13 1 1 A 39 39 TRP N N 37 120.800 121.231 -0.431 1
1 337 . 13 1 1 A 40 40 ARG H H 38 9.050 8.461 0.589 1
1 344 . 13 1 1 A 40 40 ARG C C 38 174.900 173.719 1.181 1
1 345 . 13 1 1 A 40 40 ARG CA C 38 54.000 45.679 8.321 1
1 349 . 13 1 1 A 40 40 ARG N N 38 118.200 109.680 8.520 1
1 350 . 13 1 1 A 41 41 VAL H H 39 8.660 7.196 1.464 1
1 351 . 13 1 1 A 41 41 VAL HA H 39 4.040 5.374 -1.334 1
1 359 . 13 1 1 A 41 41 VAL C C 39 178.000 174.052 3.948 1
1 360 . 13 1 1 A 41 41 VAL CA C 39 63.800 54.769 9.031 1
1 361 . 13 1 1 A 41 41 VAL CB C 39 32.400 32.958 -0.558 1
1 364 . 13 1 1 A 41 41 VAL N N 39 122.700 117.497 5.203 1
1 365 . 13 1 1 A 42 42 VAL H H 40 9.090 8.629 0.461 1
1 366 . 13 1 1 A 42 42 VAL HA H 40 4.740 4.921 -0.181 1
1 374 . 13 1 1 A 42 42 VAL C C 40 174.800 174.557 0.243 1
1 375 . 13 1 1 A 42 42 VAL CA C 40 61.000 55.169 5.831 1
1 376 . 13 1 1 A 42 42 VAL CB C 40 34.100 34.015 0.085 1
1 379 . 13 1 1 A 42 42 VAL N N 40 119.800 120.642 -0.842 1
1 380 . 13 1 1 A 43 43 HIS H H 41 7.700 9.392 -1.692 1
1 381 . 13 1 1 A 43 43 HIS HA H 41 4.530 4.524 0.006 1
1 384 . 13 1 1 A 43 43 HIS C C 41 173.400 175.639 -2.239 1
1 385 . 13 1 1 A 43 43 HIS CA C 41 57.500 63.487 -5.987 1
1 386 . 13 1 1 A 43 43 HIS CB C 41 32.800 30.919 1.881 1
1 387 . 13 1 1 A 43 43 HIS N N 41 119.700 127.731 -8.031 1
1 388 . 13 1 1 A 44 44 GLY H H 42 7.590 8.935 -1.345 1
1 391 . 13 1 1 A 44 44 GLY C C 42 174.600 176.177 -1.577 1
1 392 . 13 1 1 A 44 44 GLY CA C 42 42.400 64.365 -21.965 1
1 393 . 13 1 1 A 44 44 GLY N N 42 112.000 129.241 -17.241 1
1 394 . 13 1 1 A 45 45 GLU H H 43 8.700 7.807 0.893 1
1 395 . 13 1 1 A 45 45 GLU HA H 43 4.120 4.875 -0.755 1
1 400 . 13 1 1 A 45 45 GLU C C 43 175.200 173.732 1.468 1
1 401 . 13 1 1 A 45 45 GLU CA C 43 56.900 54.695 2.205 1
1 402 . 13 1 1 A 45 45 GLU CB C 43 30.900 33.367 -2.467 1
1 404 . 13 1 1 A 45 45 GLU N N 43 121.700 118.768 2.932 1
1 405 . 13 1 1 A 46 46 ALA H H 44 9.400 8.135 1.265 1
1 409 . 13 1 1 A 46 46 ALA C C 44 175.100 173.129 1.971 1
1 410 . 13 1 1 A 46 46 ALA CA C 44 51.100 44.181 6.919 1
1 412 . 13 1 1 A 46 46 ALA N N 44 127.000 112.256 14.744 1
1 413 . 13 1 1 A 47 47 SER H H 45 8.710 8.374 0.336 1
1 414 . 13 1 1 A 47 47 SER HA H 45 4.730 4.999 -0.269 1
1 417 . 13 1 1 A 47 47 SER C C 45 175.000 176.181 -1.181 1
1 418 . 13 1 1 A 47 47 SER CA C 45 57.900 55.917 1.983 1
1 419 . 13 1 1 A 47 47 SER CB C 45 64.900 29.943 34.957 1
1 420 . 13 1 1 A 47 47 SER N N 45 115.300 119.027 -3.727 1
1 421 . 13 1 1 A 48 48 ARG H H 46 9.520 8.410 1.110 1
1 422 . 13 1 1 A 48 48 ARG HA H 46 3.390 5.073 -1.683 1
1 429 . 13 1 1 A 48 48 ARG C C 46 178.300 177.076 1.224 1
1 430 . 13 1 1 A 48 48 ARG CA C 46 61.000 50.183 10.817 1
1 431 . 13 1 1 A 48 48 ARG CB C 46 30.100 23.153 6.947 1
1 434 . 13 1 1 A 48 48 ARG N N 46 123.400 126.810 -3.410 1
1 435 . 13 1 1 A 49 49 ALA H H 47 8.620 8.503 0.117 1
1 436 . 13 1 1 A 49 49 ALA HA H 47 3.970 4.565 -0.595 1
1 440 . 13 1 1 A 49 49 ALA C C 47 180.500 175.228 5.272 1
1 441 . 13 1 1 A 49 49 ALA CA C 47 55.400 60.283 -4.883 1
1 442 . 13 1 1 A 49 49 ALA CB C 47 18.200 63.752 -45.552 1
1 443 . 13 1 1 A 49 49 ALA N N 47 118.800 115.302 3.498 1
1 444 . 13 1 1 A 50 50 ALA H H 48 8.130 9.025 -0.895 1
1 445 . 13 1 1 A 50 50 ALA HA H 48 4.260 3.363 0.897 1
1 449 . 13 1 1 A 50 50 ALA C C 48 182.500 178.016 4.484 1
1 450 . 13 1 1 A 50 50 ALA CA C 48 54.900 59.918 -5.018 1
1 451 . 13 1 1 A 50 50 ALA CB C 48 19.100 29.698 -10.598 1
1 452 . 13 1 1 A 50 50 ALA N N 48 122.100 126.039 -3.939 1
1 453 . 13 1 1 A 51 51 CYS H H 49 8.530 8.120 0.410 1
1 454 . 13 1 1 A 51 51 CYS HA H 49 4.070 4.077 -0.007 1
1 457 . 13 1 1 A 51 51 CYS C C 49 176.800 180.092 -3.292 1
1 458 . 13 1 1 A 51 51 CYS CA C 49 65.000 54.927 10.073 1
1 459 . 13 1 1 A 51 51 CYS CB C 49 27.100 18.171 8.929 1
1 460 . 13 1 1 A 51 51 CYS N N 49 119.000 120.296 -1.296 1
1 461 . 13 1 1 A 52 52 LEU H H 50 8.660 7.822 0.838 1
1 462 . 13 1 1 A 52 52 LEU HA H 50 3.990 4.092 -0.102 1
1 472 . 13 1 1 A 52 52 LEU C C 50 179.800 179.519 0.281 1
1 473 . 13 1 1 A 52 52 LEU CA C 50 58.200 54.990 3.210 1
1 474 . 13 1 1 A 52 52 LEU CB C 50 41.000 18.330 22.670 1
1 478 . 13 1 1 A 52 52 LEU N N 50 121.100 119.607 1.493 1
1 479 . 13 1 1 A 53 53 ASP H H 51 8.020 8.126 -0.106 1
1 480 . 13 1 1 A 53 53 ASP HA H 51 4.370 4.047 0.323 1
1 483 . 13 1 1 A 53 53 ASP C C 51 177.500 177.096 0.404 1
1 484 . 13 1 1 A 53 53 ASP CA C 51 57.500 64.066 -6.566 1
1 485 . 13 1 1 A 53 53 ASP CB C 51 41.500 27.327 14.173 1
1 486 . 13 1 1 A 53 53 ASP N N 51 120.300 116.120 4.180 1
1 487 . 13 1 1 A 54 54 TYR H H 52 7.760 8.351 -0.591 1
1 488 . 13 1 1 A 54 54 TYR HA H 52 3.770 3.831 -0.061 1
1 495 . 13 1 1 A 54 54 TYR C C 52 179.000 178.411 0.589 1
1 496 . 13 1 1 A 54 54 TYR CA C 52 62.300 58.202 4.098 1
1 497 . 13 1 1 A 54 54 TYR CB C 52 37.700 41.686 -3.986 1
1 502 . 13 1 1 A 54 54 TYR N N 52 119.700 120.710 -1.010 1
1 503 . 13 1 1 A 55 55 VAL H H 53 8.250 8.592 -0.342 1
1 504 . 13 1 1 A 55 55 VAL HA H 53 3.580 4.237 -0.657 1
1 512 . 13 1 1 A 55 55 VAL C C 53 177.700 177.757 -0.057 1
1 513 . 13 1 1 A 55 55 VAL CA C 53 66.800 57.210 9.590 1
1 514 . 13 1 1 A 55 55 VAL CB C 53 31.900 41.561 -9.661 1
1 517 . 13 1 1 A 55 55 VAL N N 53 120.200 119.273 0.927 1
1 518 . 13 1 1 A 56 56 GLU H H 54 8.170 8.201 -0.031 1
1 519 . 13 1 1 A 56 56 GLU HA H 54 4.010 4.059 -0.049 1
1 524 . 13 1 1 A 56 56 GLU C C 54 178.700 177.935 0.765 1
1 525 . 13 1 1 A 56 56 GLU CA C 54 59.200 61.466 -2.266 1
1 526 . 13 1 1 A 56 56 GLU CB C 54 29.600 38.715 -9.115 1
1 528 . 13 1 1 A 56 56 GLU N N 54 119.600 120.759 -1.159 1
1 529 . 13 1 1 A 57 57 LYS H H 55 7.800 8.100 -0.300 1
1 530 . 13 1 1 A 57 57 LYS HA H 55 4.040 3.592 0.448 1
1 539 . 13 1 1 A 57 57 LYS C C 55 177.900 177.832 0.068 1
1 540 . 13 1 1 A 57 57 LYS CA C 55 57.900 66.119 -8.219 1
1 541 . 13 1 1 A 57 57 LYS CB C 55 33.300 31.422 1.878 1
1 545 . 13 1 1 A 57 57 LYS N N 55 115.700 119.100 -3.400 1
1 546 . 13 1 1 A 58 58 ASN H H 56 7.570 8.210 -0.640 1
1 547 . 13 1 1 A 58 58 ASN HA H 56 4.490 3.744 0.746 1
1 552 . 13 1 1 A 58 58 ASN C C 56 174.300 179.467 -5.167 1
1 553 . 13 1 1 A 58 58 ASN CA C 56 54.700 59.225 -4.525 1
1 554 . 13 1 1 A 58 58 ASN CB C 56 40.100 29.078 11.022 1
1 555 . 13 1 1 A 58 58 ASN N N 56 115.000 120.854 -5.854 1
1 557 . 13 1 1 A 59 59 TRP H H 57 8.120 7.924 0.196 1
1 562 . 13 1 1 A 59 59 TRP CA C 57 57.800 59.046 -1.246 1
1 563 . 13 1 1 A 59 59 TRP CB C 57 29.800 32.167 -2.367 1
1 564 . 13 1 1 A 59 59 TRP N N 57 121.400 119.571 1.829 1
1 566 . 13 1 1 A 64 64 PRO HA H 62 4.410 4.777 -0.367 1
1 571 . 13 1 1 A 64 64 PRO C C 62 176.200 176.098 0.102 1
1 572 . 13 1 1 A 64 64 PRO CA C 62 63.300 54.328 8.972 1
1 573 . 13 1 1 A 64 64 PRO CB C 62 32.100 43.950 -11.850 1
1 576 . 13 1 1 A 65 65 LYS H H 63 8.030 7.494 0.536 1
1 577 . 13 1 1 A 65 65 LYS HA H 63 4.130 4.611 -0.481 1
1 580 . 13 1 1 A 65 65 LYS CA C 63 57.700 54.392 3.308 1
1 581 . 13 1 1 A 65 65 LYS CB C 63 33.600 33.452 0.148 1
1 3 . 14 1 1 A 4 4 MET H H 2 8.430 8.287 0.143 1
1 7 . 14 1 1 A 4 4 MET C C 2 176.000 174.561 1.439 1
1 8 . 14 1 1 A 4 4 MET CA C 2 55.400 59.557 -4.157 1
1 9 . 14 1 1 A 4 4 MET CB C 2 32.900 63.634 -30.734 1
1 11 . 14 1 1 A 4 4 MET N N 2 120.500 116.154 4.346 1
1 12 . 14 1 1 A 5 5 SER H H 3 8.400 8.457 -0.057 1
1 13 . 14 1 1 A 5 5 SER HA H 3 4.500 5.293 -0.793 1
1 16 . 14 1 1 A 5 5 SER C C 3 174.700 172.086 2.614 1
1 17 . 14 1 1 A 5 5 SER CA C 3 58.400 54.471 3.929 1
1 18 . 14 1 1 A 5 5 SER CB C 3 63.800 32.123 31.677 1
1 19 . 14 1 1 A 5 5 SER N N 3 117.300 121.139 -3.839 1
1 20 . 14 1 1 A 6 6 THR H H 4 8.210 8.924 -0.714 1
1 21 . 14 1 1 A 6 6 THR HA H 4 4.330 4.836 -0.506 1
1 26 . 14 1 1 A 6 6 THR C C 4 174.000 174.875 -0.875 1
1 27 . 14 1 1 A 6 6 THR CA C 4 61.900 53.752 8.148 1
1 28 . 14 1 1 A 6 6 THR CB C 4 69.900 32.944 36.956 1
1 30 . 14 1 1 A 6 6 THR N N 4 115.400 122.570 -7.170 1
1 31 . 14 1 1 A 7 7 ASN H H 5 8.440 8.650 -0.210 1
1 32 . 14 1 1 A 7 7 ASN HA H 5 4.950 4.787 0.163 1
1 37 . 14 1 1 A 7 7 ASN CA C 5 50.900 58.838 -7.938 1
1 38 . 14 1 1 A 7 7 ASN CB C 5 39.000 63.320 -24.320 1
1 39 . 14 1 1 A 7 7 ASN N N 5 121.600 121.189 0.411 1
1 41 . 14 1 1 A 8 8 PRO HA H 6 4.310 4.894 -0.584 1
1 48 . 14 1 1 A 8 8 PRO C C 6 177.100 173.917 3.183 1
1 49 . 14 1 1 A 8 8 PRO CA C 6 64.000 62.072 1.928 1
1 50 . 14 1 1 A 8 8 PRO CB C 6 32.100 69.503 -37.403 1
1 53 . 14 1 1 A 9 9 PHE H H 7 8.020 9.073 -1.053 1
1 54 . 14 1 1 A 9 9 PHE HA H 7 4.480 5.213 -0.733 1
1 59 . 14 1 1 A 9 9 PHE CA C 7 58.300 49.770 8.530 1
1 60 . 14 1 1 A 9 9 PHE CB C 7 38.800 40.325 -1.525 1
1 63 . 14 1 1 A 9 9 PHE N N 7 117.200 125.271 -8.071 1
1 64 . 14 1 1 A 12 12 ASP C C 10 176.700 173.759 2.941 1
1 65 . 14 1 1 A 12 12 ASP CA C 10 54.800 53.286 1.514 1
1 66 . 14 1 1 A 12 12 ASP CB C 10 41.000 43.048 -2.048 1
1 67 . 14 1 1 A 13 13 ASN H H 11 8.490 8.484 0.006 1
1 70 . 14 1 1 A 13 13 ASN C C 11 175.700 174.842 0.858 1
1 71 . 14 1 1 A 13 13 ASN CA C 11 53.400 53.038 0.362 1
1 72 . 14 1 1 A 13 13 ASN CB C 11 39.200 44.645 -5.445 1
1 73 . 14 1 1 A 13 13 ASN N N 11 118.500 118.745 -0.245 1
1 75 . 14 1 1 A 14 14 GLY H H 12 8.200 8.702 -0.502 1
1 78 . 14 1 1 A 14 14 GLY C C 12 172.200 176.749 -4.549 1
1 79 . 14 1 1 A 14 14 GLY CA C 12 45.200 55.551 -10.351 1
1 80 . 14 1 1 A 14 14 GLY N N 12 108.500 121.856 -13.356 1
1 81 . 14 1 1 A 15 15 ALA H H 13 7.670 8.239 -0.569 1
1 82 . 14 1 1 A 15 15 ALA HA H 13 4.600 4.770 -0.170 1
1 86 . 14 1 1 A 15 15 ALA C C 13 176.500 175.442 1.058 1
1 87 . 14 1 1 A 15 15 ALA CA C 13 51.400 53.409 -2.009 1
1 88 . 14 1 1 A 15 15 ALA CB C 13 21.000 38.802 -17.802 1
1 89 . 14 1 1 A 15 15 ALA N N 13 122.600 116.077 6.523 1
1 90 . 14 1 1 A 16 16 PHE H H 14 9.350 7.824 1.526 1
1 98 . 14 1 1 A 16 16 PHE C C 14 174.300 173.228 1.072 1
1 99 . 14 1 1 A 16 16 PHE CA C 14 57.600 46.207 11.393 1
1 105 . 14 1 1 A 16 16 PHE N N 14 120.000 107.821 12.179 1
1 106 . 14 1 1 A 17 17 PHE H H 15 9.550 8.002 1.548 1
1 107 . 14 1 1 A 17 17 PHE HA H 15 5.600 3.937 1.663 1
1 112 . 14 1 1 A 17 17 PHE C C 15 177.700 177.343 0.357 1
1 113 . 14 1 1 A 17 17 PHE CA C 15 55.900 51.952 3.948 1
1 114 . 14 1 1 A 17 17 PHE CB C 15 44.100 19.636 24.464 1
1 117 . 14 1 1 A 17 17 PHE N N 15 115.700 127.696 -11.996 1
1 118 . 14 1 1 A 18 18 VAL H H 16 8.670 7.885 0.785 1
1 119 . 14 1 1 A 18 18 VAL HA H 16 4.220 5.913 -1.693 1
1 127 . 14 1 1 A 18 18 VAL C C 16 175.200 173.944 1.256 1
1 128 . 14 1 1 A 18 18 VAL CA C 16 62.700 55.305 7.395 1
1 129 . 14 1 1 A 18 18 VAL CB C 16 32.700 42.774 -10.074 1
1 132 . 14 1 1 A 18 18 VAL N N 16 117.200 116.012 1.188 1
1 133 . 14 1 1 A 19 19 LEU H H 17 9.500 9.928 -0.428 1
1 134 . 14 1 1 A 19 19 LEU HA H 17 5.730 5.620 0.110 1
1 144 . 14 1 1 A 19 19 LEU C C 17 176.700 175.263 1.437 1
1 145 . 14 1 1 A 19 19 LEU CA C 17 52.100 56.484 -4.384 1
1 146 . 14 1 1 A 19 19 LEU CB C 17 46.800 42.938 3.862 1
1 150 . 14 1 1 A 19 19 LEU N N 17 127.100 118.825 8.275 1
1 151 . 14 1 1 A 20 20 VAL H H 18 9.170 8.969 0.201 1
1 152 . 14 1 1 A 20 20 VAL HA H 18 5.710 4.695 1.015 1
1 160 . 14 1 1 A 20 20 VAL C C 18 174.800 175.103 -0.303 1
1 161 . 14 1 1 A 20 20 VAL CA C 18 59.300 62.575 -3.275 1
1 162 . 14 1 1 A 20 20 VAL CB C 18 36.700 31.368 5.332 1
1 165 . 14 1 1 A 20 20 VAL N N 18 115.900 122.153 -6.253 1
1 166 . 14 1 1 A 21 21 ASN H H 19 7.320 9.264 -1.944 1
1 167 . 14 1 1 A 21 21 ASN HA H 19 4.720 5.363 -0.643 1
1 170 . 14 1 1 A 21 21 ASN C C 19 177.700 174.607 3.093 1
1 171 . 14 1 1 A 21 21 ASN CA C 19 49.700 53.474 -3.774 1
1 172 . 14 1 1 A 21 21 ASN CB C 19 37.500 46.303 -8.803 1
1 173 . 14 1 1 A 21 21 ASN N N 19 122.600 129.893 -7.293 1
1 174 . 14 1 1 A 22 22 ASP H H 20 8.240 8.751 -0.511 1
1 175 . 14 1 1 A 22 22 ASP HA H 20 4.400 4.694 -0.294 1
1 178 . 14 1 1 A 22 22 ASP C C 20 176.600 175.146 1.454 1
1 179 . 14 1 1 A 22 22 ASP CA C 20 56.400 60.678 -4.278 1
1 180 . 14 1 1 A 22 22 ASP CB C 20 40.100 35.058 5.042 1
1 181 . 14 1 1 A 22 22 ASP N N 20 117.500 125.581 -8.081 1
1 182 . 14 1 1 A 23 23 GLU H H 21 7.220 8.403 -1.183 1
1 183 . 14 1 1 A 23 23 GLU HA H 21 4.380 5.348 -0.968 1
1 188 . 14 1 1 A 23 23 GLU C C 21 175.500 175.604 -0.104 1
1 189 . 14 1 1 A 23 23 GLU CA C 21 55.600 51.309 4.291 1
1 190 . 14 1 1 A 23 23 GLU CB C 21 29.500 41.051 -11.551 1
1 192 . 14 1 1 A 23 23 GLU N N 21 118.100 124.876 -6.776 1
1 193 . 14 1 1 A 24 24 ASP H H 22 8.030 8.550 -0.520 1
1 194 . 14 1 1 A 24 24 ASP HA H 22 4.280 4.334 -0.054 1
1 197 . 14 1 1 A 24 24 ASP CA C 22 56.200 56.706 -0.506 1
1 198 . 14 1 1 A 24 24 ASP CB C 22 40.000 40.485 -0.485 1
1 199 . 14 1 1 A 24 24 ASP N N 22 115.700 122.703 -7.003 1
1 200 . 14 1 1 A 25 25 GLN H H 23 7.710 7.536 0.174 1
1 201 . 14 1 1 A 25 25 GLN HA H 23 4.270 4.468 -0.198 1
1 206 . 14 1 1 A 25 25 GLN C C 23 175.300 175.102 0.198 1
1 207 . 14 1 1 A 25 25 GLN CA C 23 55.200 56.133 -0.933 1
1 208 . 14 1 1 A 25 25 GLN CB C 23 29.400 30.227 -0.827 1
1 209 . 14 1 1 A 25 25 GLN N N 23 116.800 116.169 0.631 1
1 210 . 14 1 1 A 26 26 HIS H H 24 8.870 7.550 1.320 1
1 211 . 14 1 1 A 26 26 HIS HA H 24 6.030 4.871 1.159 1
1 214 . 14 1 1 A 26 26 HIS CA C 24 54.400 52.833 1.567 1
1 215 . 14 1 1 A 26 26 HIS CB C 24 32.700 44.268 -11.568 1
1 216 . 14 1 1 A 26 26 HIS N N 24 113.400 120.297 -6.897 1
1 219 . 14 1 1 A 27 27 SER CB C 25 66.800 30.712 36.088 1
1 220 . 14 1 1 A 28 28 LEU HA H 26 5.430 5.272 0.158 1
1 230 . 14 1 1 A 28 28 LEU CA C 26 56.100 54.773 1.327 1
1 231 . 14 1 1 A 28 28 LEU CB C 26 43.600 34.498 9.102 1
1 235 . 14 1 1 A 29 29 TRP HA H 27 5.320 5.109 0.211 1
1 242 . 14 1 1 A 29 29 TRP CA C 27 54.100 57.734 -3.634 1
1 243 . 14 1 1 A 29 29 TRP CB C 27 36.000 66.206 -30.206 1
1 248 . 14 1 1 A 30 30 PRO C C 28 177.500 175.485 2.015 1
1 249 . 14 1 1 A 30 30 PRO CA C 28 62.400 54.140 8.260 1
1 250 . 14 1 1 A 30 30 PRO CB C 28 31.700 41.512 -9.812 1
1 253 . 14 1 1 A 31 31 VAL H H 29 7.000 8.993 -1.993 1
1 254 . 14 1 1 A 31 31 VAL HA H 29 3.710 5.429 -1.719 1
1 262 . 14 1 1 A 31 31 VAL CA C 29 63.600 55.147 8.453 1
1 263 . 14 1 1 A 31 31 VAL CB C 29 31.200 32.273 -1.073 1
1 266 . 14 1 1 A 31 31 VAL N N 29 114.100 127.976 -13.876 1
1 270 . 14 1 1 A 33 33 ALA C C 31 177.500 176.700 0.800 1
1 271 . 14 1 1 A 33 33 ALA CA C 31 50.900 64.071 -13.171 1
1 272 . 14 1 1 A 33 33 ALA CB C 31 20.200 31.501 -11.301 1
1 273 . 14 1 1 A 34 34 ASP H H 32 8.830 7.826 1.004 1
1 274 . 14 1 1 A 34 34 ASP HA H 32 4.500 4.089 0.411 1
1 277 . 14 1 1 A 34 34 ASP C C 32 176.900 174.925 1.975 1
1 278 . 14 1 1 A 34 34 ASP CA C 32 55.200 59.904 -4.704 1
1 279 . 14 1 1 A 34 34 ASP CB C 32 40.400 39.794 0.606 1
1 280 . 14 1 1 A 34 34 ASP N N 32 124.600 122.274 2.326 1
1 281 . 14 1 1 A 35 35 ILE H H 33 8.590 7.418 1.172 1
1 282 . 14 1 1 A 35 35 ILE HA H 33 3.610 4.358 -0.748 1
1 292 . 14 1 1 A 35 35 ILE C C 33 176.100 176.252 -0.152 1
1 293 . 14 1 1 A 35 35 ILE CA C 33 58.600 50.097 8.503 1
1 294 . 14 1 1 A 35 35 ILE CB C 33 37.600 20.563 17.037 1
1 298 . 14 1 1 A 35 35 ILE N N 33 125.200 120.064 5.136 1
1 299 . 14 1 1 A 36 36 PRO HA H 34 4.290 4.659 -0.369 1
1 306 . 14 1 1 A 36 36 PRO C C 34 179.400 176.276 3.124 1
1 307 . 14 1 1 A 36 36 PRO CA C 34 62.600 54.420 8.180 1
1 308 . 14 1 1 A 36 36 PRO CB C 34 31.600 41.502 -9.902 1
1 311 . 14 1 1 A 37 37 ALA H H 35 8.300 8.494 -0.194 1
1 312 . 14 1 1 A 37 37 ALA HA H 35 4.190 4.095 0.095 1
1 316 . 14 1 1 A 37 37 ALA CA C 35 53.600 58.518 -4.918 1
1 317 . 14 1 1 A 37 37 ALA CB C 35 18.400 37.577 -19.177 1
1 318 . 14 1 1 A 37 37 ALA N N 35 123.600 125.669 -2.069 1
1 322 . 14 1 1 A 38 38 GLY C C 36 174.000 176.311 -2.311 1
1 323 . 14 1 1 A 38 38 GLY CA C 36 45.000 65.874 -20.874 1
1 324 . 14 1 1 A 38 38 GLY N N 36 110.200 141.524 -31.324 1
1 325 . 14 1 1 A 39 39 TRP H H 37 7.700 7.842 -0.142 1
1 326 . 14 1 1 A 39 39 TRP HA H 37 4.900 4.927 -0.027 1
1 331 . 14 1 1 A 39 39 TRP C C 37 175.000 176.682 -1.682 1
1 332 . 14 1 1 A 39 39 TRP CA C 37 56.000 51.477 4.523 1
1 333 . 14 1 1 A 39 39 TRP CB C 37 31.800 22.482 9.318 1
1 335 . 14 1 1 A 39 39 TRP N N 37 120.800 116.762 4.038 1
1 337 . 14 1 1 A 40 40 ARG H H 38 9.050 8.772 0.278 1
1 344 . 14 1 1 A 40 40 ARG C C 38 174.900 174.049 0.851 1
1 345 . 14 1 1 A 40 40 ARG CA C 38 54.000 46.459 7.541 1
1 349 . 14 1 1 A 40 40 ARG N N 38 118.200 109.362 8.838 1
1 350 . 14 1 1 A 41 41 VAL H H 39 8.660 7.404 1.256 1
1 351 . 14 1 1 A 41 41 VAL HA H 39 4.040 4.951 -0.911 1
1 359 . 14 1 1 A 41 41 VAL C C 39 178.000 175.536 2.464 1
1 360 . 14 1 1 A 41 41 VAL CA C 39 63.800 55.981 7.819 1
1 361 . 14 1 1 A 41 41 VAL CB C 39 32.400 31.209 1.191 1
1 364 . 14 1 1 A 41 41 VAL N N 39 122.700 119.338 3.362 1
1 365 . 14 1 1 A 42 42 VAL H H 40 9.090 9.473 -0.383 1
1 366 . 14 1 1 A 42 42 VAL HA H 40 4.740 5.014 -0.274 1
1 374 . 14 1 1 A 42 42 VAL C C 40 174.800 175.129 -0.329 1
1 375 . 14 1 1 A 42 42 VAL CA C 40 61.000 54.630 6.370 1
1 376 . 14 1 1 A 42 42 VAL CB C 40 34.100 32.251 1.849 1
1 379 . 14 1 1 A 42 42 VAL N N 40 119.800 121.361 -1.561 1
1 380 . 14 1 1 A 43 43 HIS H H 41 7.700 9.144 -1.444 1
1 381 . 14 1 1 A 43 43 HIS HA H 41 4.530 4.191 0.339 1
1 384 . 14 1 1 A 43 43 HIS C C 41 173.400 175.470 -2.070 1
1 385 . 14 1 1 A 43 43 HIS CA C 41 57.500 63.545 -6.045 1
1 386 . 14 1 1 A 43 43 HIS CB C 41 32.800 31.417 1.383 1
1 387 . 14 1 1 A 43 43 HIS N N 41 119.700 125.354 -5.654 1
1 388 . 14 1 1 A 44 44 GLY H H 42 7.590 8.981 -1.391 1
1 391 . 14 1 1 A 44 44 GLY C C 42 174.600 175.656 -1.056 1
1 392 . 14 1 1 A 44 44 GLY CA C 42 42.400 64.128 -21.728 1
1 393 . 14 1 1 A 44 44 GLY N N 42 112.000 129.328 -17.328 1
1 394 . 14 1 1 A 45 45 GLU H H 43 8.700 7.255 1.445 1
1 395 . 14 1 1 A 45 45 GLU HA H 43 4.120 5.049 -0.929 1
1 400 . 14 1 1 A 45 45 GLU C C 43 175.200 175.301 -0.101 1
1 401 . 14 1 1 A 45 45 GLU CA C 43 56.900 54.556 2.344 1
1 402 . 14 1 1 A 45 45 GLU CB C 43 30.900 33.388 -2.488 1
1 404 . 14 1 1 A 45 45 GLU N N 43 121.700 116.630 5.070 1
1 405 . 14 1 1 A 46 46 ALA H H 44 9.400 8.615 0.785 1
1 409 . 14 1 1 A 46 46 ALA C C 44 175.100 172.571 2.529 1
1 410 . 14 1 1 A 46 46 ALA CA C 44 51.100 43.906 7.194 1
1 412 . 14 1 1 A 46 46 ALA N N 44 127.000 108.087 18.913 1
1 413 . 14 1 1 A 47 47 SER H H 45 8.710 7.671 1.039 1
1 414 . 14 1 1 A 47 47 SER HA H 45 4.730 5.034 -0.304 1
1 417 . 14 1 1 A 47 47 SER C C 45 175.000 176.382 -1.382 1
1 418 . 14 1 1 A 47 47 SER CA C 45 57.900 55.575 2.325 1
1 419 . 14 1 1 A 47 47 SER CB C 45 64.900 29.322 35.578 1
1 420 . 14 1 1 A 47 47 SER N N 45 115.300 118.777 -3.477 1
1 421 . 14 1 1 A 48 48 ARG H H 46 9.520 8.308 1.212 1
1 422 . 14 1 1 A 48 48 ARG HA H 46 3.390 4.846 -1.456 1
1 429 . 14 1 1 A 48 48 ARG C C 46 178.300 177.312 0.988 1
1 430 . 14 1 1 A 48 48 ARG CA C 46 61.000 50.156 10.844 1
1 431 . 14 1 1 A 48 48 ARG CB C 46 30.100 22.202 7.898 1
1 434 . 14 1 1 A 48 48 ARG N N 46 123.400 128.297 -4.897 1
1 435 . 14 1 1 A 49 49 ALA H H 47 8.620 8.464 0.156 1
1 436 . 14 1 1 A 49 49 ALA HA H 47 3.970 4.512 -0.542 1
1 440 . 14 1 1 A 49 49 ALA C C 47 180.500 175.051 5.449 1
1 441 . 14 1 1 A 49 49 ALA CA C 47 55.400 60.224 -4.824 1
1 442 . 14 1 1 A 49 49 ALA CB C 47 18.200 63.746 -45.546 1
1 443 . 14 1 1 A 49 49 ALA N N 47 118.800 115.834 2.966 1
1 444 . 14 1 1 A 50 50 ALA H H 48 8.130 8.936 -0.806 1
1 445 . 14 1 1 A 50 50 ALA HA H 48 4.260 3.226 1.034 1
1 449 . 14 1 1 A 50 50 ALA C C 48 182.500 177.947 4.553 1
1 450 . 14 1 1 A 50 50 ALA CA C 48 54.900 59.802 -4.902 1
1 451 . 14 1 1 A 50 50 ALA CB C 48 19.100 29.696 -10.596 1
1 452 . 14 1 1 A 50 50 ALA N N 48 122.100 126.017 -3.917 1
1 453 . 14 1 1 A 51 51 CYS H H 49 8.530 8.012 0.518 1
1 454 . 14 1 1 A 51 51 CYS HA H 49 4.070 4.061 0.009 1
1 457 . 14 1 1 A 51 51 CYS C C 49 176.800 179.957 -3.157 1
1 458 . 14 1 1 A 51 51 CYS CA C 49 65.000 54.969 10.031 1
1 459 . 14 1 1 A 51 51 CYS CB C 49 27.100 17.823 9.277 1
1 460 . 14 1 1 A 51 51 CYS N N 49 119.000 120.534 -1.534 1
1 461 . 14 1 1 A 52 52 LEU H H 50 8.660 8.179 0.481 1
1 462 . 14 1 1 A 52 52 LEU HA H 50 3.990 3.940 0.050 1
1 472 . 14 1 1 A 52 52 LEU C C 50 179.800 179.580 0.220 1
1 473 . 14 1 1 A 52 52 LEU CA C 50 58.200 55.052 3.148 1
1 474 . 14 1 1 A 52 52 LEU CB C 50 41.000 18.087 22.913 1
1 478 . 14 1 1 A 52 52 LEU N N 50 121.100 119.797 1.303 1
1 479 . 14 1 1 A 53 53 ASP H H 51 8.020 8.273 -0.253 1
1 480 . 14 1 1 A 53 53 ASP HA H 51 4.370 4.125 0.245 1
1 483 . 14 1 1 A 53 53 ASP C C 51 177.500 177.249 0.251 1
1 484 . 14 1 1 A 53 53 ASP CA C 51 57.500 63.733 -6.233 1
1 485 . 14 1 1 A 53 53 ASP CB C 51 41.500 27.225 14.275 1
1 486 . 14 1 1 A 53 53 ASP N N 51 120.300 116.084 4.216 1
1 487 . 14 1 1 A 54 54 TYR H H 52 7.760 8.270 -0.510 1
1 488 . 14 1 1 A 54 54 TYR HA H 52 3.770 3.830 -0.060 1
1 495 . 14 1 1 A 54 54 TYR C C 52 179.000 178.655 0.345 1
1 496 . 14 1 1 A 54 54 TYR CA C 52 62.300 58.080 4.220 1
1 497 . 14 1 1 A 54 54 TYR CB C 52 37.700 41.499 -3.799 1
1 502 . 14 1 1 A 54 54 TYR N N 52 119.700 120.276 -0.576 1
1 503 . 14 1 1 A 55 55 VAL H H 53 8.250 8.687 -0.437 1
1 504 . 14 1 1 A 55 55 VAL HA H 53 3.580 4.183 -0.603 1
1 512 . 14 1 1 A 55 55 VAL C C 53 177.700 177.628 0.072 1
1 513 . 14 1 1 A 55 55 VAL CA C 53 66.800 57.347 9.453 1
1 514 . 14 1 1 A 55 55 VAL CB C 53 31.900 41.564 -9.664 1
1 517 . 14 1 1 A 55 55 VAL N N 53 120.200 118.762 1.438 1
1 518 . 14 1 1 A 56 56 GLU H H 54 8.170 8.222 -0.052 1
1 519 . 14 1 1 A 56 56 GLU HA H 54 4.010 4.072 -0.062 1
1 524 . 14 1 1 A 56 56 GLU C C 54 178.700 177.768 0.932 1
1 525 . 14 1 1 A 56 56 GLU CA C 54 59.200 61.285 -2.085 1
1 526 . 14 1 1 A 56 56 GLU CB C 54 29.600 38.761 -9.161 1
1 528 . 14 1 1 A 56 56 GLU N N 54 119.600 120.628 -1.028 1
1 529 . 14 1 1 A 57 57 LYS H H 55 7.800 8.050 -0.250 1
1 530 . 14 1 1 A 57 57 LYS HA H 55 4.040 3.364 0.676 1
1 539 . 14 1 1 A 57 57 LYS C C 55 177.900 177.952 -0.052 1
1 540 . 14 1 1 A 57 57 LYS CA C 55 57.900 66.226 -8.326 1
1 541 . 14 1 1 A 57 57 LYS CB C 55 33.300 31.445 1.855 1
1 545 . 14 1 1 A 57 57 LYS N N 55 115.700 118.645 -2.945 1
1 546 . 14 1 1 A 58 58 ASN H H 56 7.570 8.488 -0.918 1
1 547 . 14 1 1 A 58 58 ASN HA H 56 4.490 3.922 0.568 1
1 552 . 14 1 1 A 58 58 ASN C C 56 174.300 179.339 -5.039 1
1 553 . 14 1 1 A 58 58 ASN CA C 56 54.700 59.248 -4.548 1
1 554 . 14 1 1 A 58 58 ASN CB C 56 40.100 28.929 11.171 1
1 555 . 14 1 1 A 58 58 ASN N N 56 115.000 121.091 -6.091 1
1 557 . 14 1 1 A 59 59 TRP H H 57 8.120 7.700 0.420 1
1 562 . 14 1 1 A 59 59 TRP CA C 57 57.800 58.206 -0.406 1
1 563 . 14 1 1 A 59 59 TRP CB C 57 29.800 31.709 -1.909 1
1 564 . 14 1 1 A 59 59 TRP N N 57 121.400 119.855 1.545 1
1 566 . 14 1 1 A 64 64 PRO HA H 62 4.410 4.416 -0.006 1
1 571 . 14 1 1 A 64 64 PRO C C 62 176.200 176.118 0.082 1
1 572 . 14 1 1 A 64 64 PRO CA C 62 63.300 54.755 8.545 1
1 573 . 14 1 1 A 64 64 PRO CB C 62 32.100 42.639 -10.539 1
1 576 . 14 1 1 A 65 65 LYS H H 63 8.030 9.326 -1.296 1
1 577 . 14 1 1 A 65 65 LYS HA H 63 4.130 4.826 -0.696 1
1 580 . 14 1 1 A 65 65 LYS CA C 63 57.700 52.312 5.388 1
1 581 . 14 1 1 A 65 65 LYS CB C 63 33.600 31.412 2.188 1
1 3 . 15 1 1 A 4 4 MET H H 2 8.430 8.963 -0.533 1
1 7 . 15 1 1 A 4 4 MET C C 2 176.000 172.783 3.217 1
1 8 . 15 1 1 A 4 4 MET CA C 2 55.400 56.301 -0.901 1
1 9 . 15 1 1 A 4 4 MET CB C 2 32.900 66.415 -33.515 1
1 11 . 15 1 1 A 4 4 MET N N 2 120.500 119.449 1.051 1
1 12 . 15 1 1 A 5 5 SER H H 3 8.400 8.570 -0.170 1
1 13 . 15 1 1 A 5 5 SER HA H 3 4.500 4.851 -0.351 1
1 16 . 15 1 1 A 5 5 SER C C 3 174.700 174.647 0.053 1
1 17 . 15 1 1 A 5 5 SER CA C 3 58.400 54.010 4.390 1
1 18 . 15 1 1 A 5 5 SER CB C 3 63.800 29.454 34.346 1
1 19 . 15 1 1 A 5 5 SER N N 3 117.300 121.038 -3.738 1
1 20 . 15 1 1 A 6 6 THR H H 4 8.210 8.033 0.177 1
1 21 . 15 1 1 A 6 6 THR HA H 4 4.330 3.989 0.341 1
1 26 . 15 1 1 A 6 6 THR C C 4 174.000 176.500 -2.500 1
1 27 . 15 1 1 A 6 6 THR CA C 4 61.900 56.036 5.864 1
1 28 . 15 1 1 A 6 6 THR CB C 4 69.900 30.291 39.609 1
1 30 . 15 1 1 A 6 6 THR N N 4 115.400 117.808 -2.408 1
1 31 . 15 1 1 A 7 7 ASN H H 5 8.440 8.187 0.253 1
1 32 . 15 1 1 A 7 7 ASN HA H 5 4.950 4.132 0.818 1
1 37 . 15 1 1 A 7 7 ASN CA C 5 50.900 59.389 -8.489 1
1 38 . 15 1 1 A 7 7 ASN CB C 5 39.000 63.229 -24.229 1
1 39 . 15 1 1 A 7 7 ASN N N 5 121.600 113.738 7.862 1
1 41 . 15 1 1 A 8 8 PRO HA H 6 4.310 4.220 0.090 1
1 48 . 15 1 1 A 8 8 PRO C C 6 177.100 174.125 2.975 1
1 49 . 15 1 1 A 8 8 PRO CA C 6 64.000 63.904 0.096 1
1 50 . 15 1 1 A 8 8 PRO CB C 6 32.100 69.205 -37.105 1
1 53 . 15 1 1 A 9 9 PHE H H 7 8.020 8.727 -0.707 1
1 54 . 15 1 1 A 9 9 PHE HA H 7 4.480 4.737 -0.257 1
1 59 . 15 1 1 A 9 9 PHE CA C 7 58.300 51.413 6.887 1
1 60 . 15 1 1 A 9 9 PHE CB C 7 38.800 38.262 0.538 1
1 63 . 15 1 1 A 9 9 PHE N N 7 117.200 126.026 -8.826 1
1 64 . 15 1 1 A 12 12 ASP C C 10 176.700 175.031 1.669 1
1 65 . 15 1 1 A 12 12 ASP CA C 10 54.800 52.402 2.398 1
1 66 . 15 1 1 A 12 12 ASP CB C 10 41.000 42.525 -1.525 1
1 67 . 15 1 1 A 13 13 ASN H H 11 8.490 9.103 -0.613 1
1 70 . 15 1 1 A 13 13 ASN C C 11 175.700 175.313 0.387 1
1 71 . 15 1 1 A 13 13 ASN CA C 11 53.400 55.366 -1.966 1
1 72 . 15 1 1 A 13 13 ASN CB C 11 39.200 44.031 -4.831 1
1 73 . 15 1 1 A 13 13 ASN N N 11 118.500 120.095 -1.595 1
1 75 . 15 1 1 A 14 14 GLY H H 12 8.200 7.825 0.375 1
1 78 . 15 1 1 A 14 14 GLY C C 12 172.200 175.155 -2.955 1
1 79 . 15 1 1 A 14 14 GLY CA C 12 45.200 53.755 -8.555 1
1 80 . 15 1 1 A 14 14 GLY N N 12 108.500 119.618 -11.118 1
1 81 . 15 1 1 A 15 15 ALA H H 13 7.670 8.784 -1.114 1
1 82 . 15 1 1 A 15 15 ALA HA H 13 4.600 4.976 -0.376 1
1 86 . 15 1 1 A 15 15 ALA C C 13 176.500 175.202 1.298 1
1 87 . 15 1 1 A 15 15 ALA CA C 13 51.400 53.092 -1.692 1
1 88 . 15 1 1 A 15 15 ALA CB C 13 21.000 38.819 -17.819 1
1 89 . 15 1 1 A 15 15 ALA N N 13 122.600 124.933 -2.333 1
1 90 . 15 1 1 A 16 16 PHE H H 14 9.350 8.442 0.908 1
1 98 . 15 1 1 A 16 16 PHE C C 14 174.300 172.421 1.879 1
1 99 . 15 1 1 A 16 16 PHE CA C 14 57.600 44.699 12.901 1
1 105 . 15 1 1 A 16 16 PHE N N 14 120.000 108.674 11.326 1
1 106 . 15 1 1 A 17 17 PHE H H 15 9.550 8.102 1.448 1
1 107 . 15 1 1 A 17 17 PHE HA H 15 5.600 4.883 0.717 1
1 112 . 15 1 1 A 17 17 PHE C C 15 177.700 176.313 1.387 1
1 113 . 15 1 1 A 17 17 PHE CA C 15 55.900 49.920 5.980 1
1 114 . 15 1 1 A 17 17 PHE CB C 15 44.100 22.444 21.656 1
1 117 . 15 1 1 A 17 17 PHE N N 15 115.700 125.187 -9.487 1
1 118 . 15 1 1 A 18 18 VAL H H 16 8.670 8.223 0.447 1
1 119 . 15 1 1 A 18 18 VAL HA H 16 4.220 5.770 -1.550 1
1 127 . 15 1 1 A 18 18 VAL C C 16 175.200 173.236 1.964 1
1 128 . 15 1 1 A 18 18 VAL CA C 16 62.700 55.394 7.306 1
1 129 . 15 1 1 A 18 18 VAL CB C 16 32.700 42.827 -10.127 1
1 132 . 15 1 1 A 18 18 VAL N N 16 117.200 115.736 1.464 1
1 133 . 15 1 1 A 19 19 LEU H H 17 9.500 9.865 -0.365 1
1 134 . 15 1 1 A 19 19 LEU HA H 17 5.730 5.295 0.435 1
1 144 . 15 1 1 A 19 19 LEU C C 17 176.700 175.419 1.281 1
1 145 . 15 1 1 A 19 19 LEU CA C 17 52.100 56.876 -4.776 1
1 146 . 15 1 1 A 19 19 LEU CB C 17 46.800 42.791 4.009 1
1 150 . 15 1 1 A 19 19 LEU N N 17 127.100 118.709 8.391 1
1 151 . 15 1 1 A 20 20 VAL H H 18 9.170 8.997 0.173 1
1 152 . 15 1 1 A 20 20 VAL HA H 18 5.710 4.622 1.088 1
1 160 . 15 1 1 A 20 20 VAL C C 18 174.800 174.629 0.171 1
1 161 . 15 1 1 A 20 20 VAL CA C 18 59.300 62.586 -3.286 1
1 162 . 15 1 1 A 20 20 VAL CB C 18 36.700 31.381 5.319 1
1 165 . 15 1 1 A 20 20 VAL N N 18 115.900 121.803 -5.903 1
1 166 . 15 1 1 A 21 21 ASN H H 19 7.320 9.239 -1.919 1
1 167 . 15 1 1 A 21 21 ASN HA H 19 4.720 5.515 -0.795 1
1 170 . 15 1 1 A 21 21 ASN C C 19 177.700 174.849 2.851 1
1 171 . 15 1 1 A 21 21 ASN CA C 19 49.700 53.585 -3.885 1
1 172 . 15 1 1 A 21 21 ASN CB C 19 37.500 44.994 -7.494 1
1 173 . 15 1 1 A 21 21 ASN N N 19 122.600 130.091 -7.491 1
1 174 . 15 1 1 A 22 22 ASP H H 20 8.240 9.418 -1.178 1
1 175 . 15 1 1 A 22 22 ASP HA H 20 4.400 4.675 -0.275 1
1 178 . 15 1 1 A 22 22 ASP C C 20 176.600 173.998 2.602 1
1 179 . 15 1 1 A 22 22 ASP CA C 20 56.400 60.711 -4.311 1
1 180 . 15 1 1 A 22 22 ASP CB C 20 40.100 34.687 5.413 1
1 181 . 15 1 1 A 22 22 ASP N N 20 117.500 127.158 -9.658 1
1 182 . 15 1 1 A 23 23 GLU H H 21 7.220 8.750 -1.530 1
1 183 . 15 1 1 A 23 23 GLU HA H 21 4.380 5.129 -0.749 1
1 188 . 15 1 1 A 23 23 GLU C C 21 175.500 175.571 -0.071 1
1 189 . 15 1 1 A 23 23 GLU CA C 21 55.600 52.880 2.720 1
1 190 . 15 1 1 A 23 23 GLU CB C 21 29.500 40.172 -10.672 1
1 192 . 15 1 1 A 23 23 GLU N N 21 118.100 125.576 -7.476 1
1 193 . 15 1 1 A 24 24 ASP H H 22 8.030 9.032 -1.002 1
1 194 . 15 1 1 A 24 24 ASP HA H 22 4.280 4.344 -0.064 1
1 197 . 15 1 1 A 24 24 ASP CA C 22 56.200 56.623 -0.423 1
1 198 . 15 1 1 A 24 24 ASP CB C 22 40.000 40.494 -0.494 1
1 199 . 15 1 1 A 24 24 ASP N N 22 115.700 125.954 -10.254 1
1 200 . 15 1 1 A 25 25 GLN H H 23 7.710 7.651 0.059 1
1 201 . 15 1 1 A 25 25 GLN HA H 23 4.270 4.410 -0.140 1
1 206 . 15 1 1 A 25 25 GLN C C 23 175.300 174.914 0.386 1
1 207 . 15 1 1 A 25 25 GLN CA C 23 55.200 56.234 -1.034 1
1 208 . 15 1 1 A 25 25 GLN CB C 23 29.400 30.231 -0.831 1
1 209 . 15 1 1 A 25 25 GLN N N 23 116.800 116.191 0.609 1
1 210 . 15 1 1 A 26 26 HIS H H 24 8.870 7.923 0.947 1
1 211 . 15 1 1 A 26 26 HIS HA H 24 6.030 4.893 1.137 1
1 214 . 15 1 1 A 26 26 HIS CA C 24 54.400 52.364 2.036 1
1 215 . 15 1 1 A 26 26 HIS CB C 24 32.700 43.566 -10.866 1
1 216 . 15 1 1 A 26 26 HIS N N 24 113.400 121.104 -7.704 1
1 219 . 15 1 1 A 27 27 SER CB C 25 66.800 31.546 35.254 1
1 220 . 15 1 1 A 28 28 LEU HA H 26 5.430 4.989 0.441 1
1 230 . 15 1 1 A 28 28 LEU CA C 26 56.100 54.708 1.392 1
1 231 . 15 1 1 A 28 28 LEU CB C 26 43.600 31.608 11.992 1
1 235 . 15 1 1 A 29 29 TRP HA H 27 5.320 5.035 0.285 1
1 242 . 15 1 1 A 29 29 TRP CA C 27 54.100 57.558 -3.458 1
1 243 . 15 1 1 A 29 29 TRP CB C 27 36.000 66.367 -30.367 1
1 248 . 15 1 1 A 30 30 PRO C C 28 177.500 175.534 1.966 1
1 249 . 15 1 1 A 30 30 PRO CA C 28 62.400 53.567 8.833 1
1 250 . 15 1 1 A 30 30 PRO CB C 28 31.700 42.753 -11.053 1
1 253 . 15 1 1 A 31 31 VAL H H 29 7.000 9.207 -2.207 1
1 254 . 15 1 1 A 31 31 VAL HA H 29 3.710 5.439 -1.729 1
1 262 . 15 1 1 A 31 31 VAL CA C 29 63.600 54.334 9.266 1
1 263 . 15 1 1 A 31 31 VAL CB C 29 31.200 32.941 -1.741 1
1 266 . 15 1 1 A 31 31 VAL N N 29 114.100 127.755 -13.655 1
1 270 . 15 1 1 A 33 33 ALA C C 31 177.500 176.507 0.993 1
1 271 . 15 1 1 A 33 33 ALA CA C 31 50.900 63.416 -12.516 1
1 272 . 15 1 1 A 33 33 ALA CB C 31 20.200 31.181 -10.981 1
1 273 . 15 1 1 A 34 34 ASP H H 32 8.830 7.809 1.021 1
1 274 . 15 1 1 A 34 34 ASP HA H 32 4.500 4.363 0.137 1
1 277 . 15 1 1 A 34 34 ASP C C 32 176.900 175.220 1.680 1
1 278 . 15 1 1 A 34 34 ASP CA C 32 55.200 59.143 -3.943 1
1 279 . 15 1 1 A 34 34 ASP CB C 32 40.400 39.183 1.217 1
1 280 . 15 1 1 A 34 34 ASP N N 32 124.600 122.294 2.306 1
1 281 . 15 1 1 A 35 35 ILE H H 33 8.590 7.176 1.414 1
1 282 . 15 1 1 A 35 35 ILE HA H 33 3.610 4.501 -0.891 1
1 292 . 15 1 1 A 35 35 ILE C C 33 176.100 176.420 -0.320 1
1 293 . 15 1 1 A 35 35 ILE CA C 33 58.600 50.043 8.557 1
1 294 . 15 1 1 A 35 35 ILE CB C 33 37.600 21.574 16.026 1
1 298 . 15 1 1 A 35 35 ILE N N 33 125.200 121.180 4.020 1
1 299 . 15 1 1 A 36 36 PRO HA H 34 4.290 4.873 -0.583 1
1 306 . 15 1 1 A 36 36 PRO C C 34 179.400 175.918 3.482 1
1 307 . 15 1 1 A 36 36 PRO CA C 34 62.600 54.879 7.721 1
1 308 . 15 1 1 A 36 36 PRO CB C 34 31.600 41.481 -9.881 1
1 311 . 15 1 1 A 37 37 ALA H H 35 8.300 8.492 -0.192 1
1 312 . 15 1 1 A 37 37 ALA HA H 35 4.190 4.444 -0.254 1
1 316 . 15 1 1 A 37 37 ALA CA C 35 53.600 57.462 -3.862 1
1 317 . 15 1 1 A 37 37 ALA CB C 35 18.400 39.355 -20.955 1
1 318 . 15 1 1 A 37 37 ALA N N 35 123.600 122.816 0.784 1
1 322 . 15 1 1 A 38 38 GLY C C 36 174.000 175.403 -1.403 1
1 323 . 15 1 1 A 38 38 GLY CA C 36 45.000 64.913 -19.913 1
1 324 . 15 1 1 A 38 38 GLY N N 36 110.200 141.396 -31.196 1
1 325 . 15 1 1 A 39 39 TRP H H 37 7.700 8.123 -0.423 1
1 326 . 15 1 1 A 39 39 TRP HA H 37 4.900 4.826 0.074 1
1 331 . 15 1 1 A 39 39 TRP C C 37 175.000 176.713 -1.713 1
1 332 . 15 1 1 A 39 39 TRP CA C 37 56.000 51.353 4.647 1
1 333 . 15 1 1 A 39 39 TRP CB C 37 31.800 22.234 9.566 1
1 335 . 15 1 1 A 39 39 TRP N N 37 120.800 117.659 3.141 1
1 337 . 15 1 1 A 40 40 ARG H H 38 9.050 8.540 0.510 1
1 344 . 15 1 1 A 40 40 ARG C C 38 174.900 173.560 1.340 1
1 345 . 15 1 1 A 40 40 ARG CA C 38 54.000 46.295 7.705 1
1 349 . 15 1 1 A 40 40 ARG N N 38 118.200 108.789 9.411 1
1 350 . 15 1 1 A 41 41 VAL H H 39 8.660 7.161 1.499 1
1 351 . 15 1 1 A 41 41 VAL HA H 39 4.040 5.355 -1.315 1
1 359 . 15 1 1 A 41 41 VAL C C 39 178.000 174.887 3.113 1
1 360 . 15 1 1 A 41 41 VAL CA C 39 63.800 54.742 9.058 1
1 361 . 15 1 1 A 41 41 VAL CB C 39 32.400 32.945 -0.545 1
1 364 . 15 1 1 A 41 41 VAL N N 39 122.700 117.500 5.200 1
1 365 . 15 1 1 A 42 42 VAL H H 40 9.090 8.732 0.358 1
1 366 . 15 1 1 A 42 42 VAL HA H 40 4.740 5.152 -0.412 1
1 374 . 15 1 1 A 42 42 VAL C C 40 174.800 175.353 -0.553 1
1 375 . 15 1 1 A 42 42 VAL CA C 40 61.000 54.745 6.255 1
1 376 . 15 1 1 A 42 42 VAL CB C 40 34.100 33.863 0.237 1
1 379 . 15 1 1 A 42 42 VAL N N 40 119.800 119.728 0.072 1
1 380 . 15 1 1 A 43 43 HIS H H 41 7.700 9.241 -1.541 1
1 381 . 15 1 1 A 43 43 HIS HA H 41 4.530 4.558 -0.028 1
1 384 . 15 1 1 A 43 43 HIS C C 41 173.400 175.535 -2.135 1
1 385 . 15 1 1 A 43 43 HIS CA C 41 57.500 63.257 -5.757 1
1 386 . 15 1 1 A 43 43 HIS CB C 41 32.800 31.257 1.543 1
1 387 . 15 1 1 A 43 43 HIS N N 41 119.700 124.596 -4.896 1
1 388 . 15 1 1 A 44 44 GLY H H 42 7.590 9.016 -1.426 1
1 391 . 15 1 1 A 44 44 GLY C C 42 174.600 176.019 -1.419 1
1 392 . 15 1 1 A 44 44 GLY CA C 42 42.400 64.282 -21.882 1
1 393 . 15 1 1 A 44 44 GLY N N 42 112.000 129.445 -17.445 1
1 394 . 15 1 1 A 45 45 GLU H H 43 8.700 7.556 1.144 1
1 395 . 15 1 1 A 45 45 GLU HA H 43 4.120 4.660 -0.540 1
1 400 . 15 1 1 A 45 45 GLU C C 43 175.200 173.156 2.044 1
1 401 . 15 1 1 A 45 45 GLU CA C 43 56.900 55.380 1.520 1
1 402 . 15 1 1 A 45 45 GLU CB C 43 30.900 32.588 -1.688 1
1 404 . 15 1 1 A 45 45 GLU N N 43 121.700 116.981 4.719 1
1 405 . 15 1 1 A 46 46 ALA H H 44 9.400 7.926 1.474 1
1 409 . 15 1 1 A 46 46 ALA C C 44 175.100 173.119 1.981 1
1 410 . 15 1 1 A 46 46 ALA CA C 44 51.100 44.036 7.064 1
1 412 . 15 1 1 A 46 46 ALA N N 44 127.000 112.005 14.995 1
1 413 . 15 1 1 A 47 47 SER H H 45 8.710 8.531 0.179 1
1 414 . 15 1 1 A 47 47 SER HA H 45 4.730 5.072 -0.342 1
1 417 . 15 1 1 A 47 47 SER C C 45 175.000 176.339 -1.339 1
1 418 . 15 1 1 A 47 47 SER CA C 45 57.900 55.829 2.071 1
1 419 . 15 1 1 A 47 47 SER CB C 45 64.900 29.633 35.267 1
1 420 . 15 1 1 A 47 47 SER N N 45 115.300 119.228 -3.928 1
1 421 . 15 1 1 A 48 48 ARG H H 46 9.520 8.493 1.027 1
1 422 . 15 1 1 A 48 48 ARG HA H 46 3.390 5.092 -1.702 1
1 429 . 15 1 1 A 48 48 ARG C C 46 178.300 177.121 1.179 1
1 430 . 15 1 1 A 48 48 ARG CA C 46 61.000 50.156 10.844 1
1 431 . 15 1 1 A 48 48 ARG CB C 46 30.100 23.071 7.029 1
1 434 . 15 1 1 A 48 48 ARG N N 46 123.400 127.128 -3.728 1
1 435 . 15 1 1 A 49 49 ALA H H 47 8.620 8.531 0.089 1
1 436 . 15 1 1 A 49 49 ALA HA H 47 3.970 4.565 -0.595 1
1 440 . 15 1 1 A 49 49 ALA C C 47 180.500 175.193 5.307 1
1 441 . 15 1 1 A 49 49 ALA CA C 47 55.400 60.311 -4.911 1
1 442 . 15 1 1 A 49 49 ALA CB C 47 18.200 63.879 -45.679 1
1 443 . 15 1 1 A 49 49 ALA N N 47 118.800 115.361 3.439 1
1 444 . 15 1 1 A 50 50 ALA H H 48 8.130 8.964 -0.834 1
1 445 . 15 1 1 A 50 50 ALA HA H 48 4.260 3.485 0.775 1
1 449 . 15 1 1 A 50 50 ALA C C 48 182.500 178.010 4.490 1
1 450 . 15 1 1 A 50 50 ALA CA C 48 54.900 59.964 -5.064 1
1 451 . 15 1 1 A 50 50 ALA CB C 48 19.100 29.708 -10.608 1
1 452 . 15 1 1 A 50 50 ALA N N 48 122.100 125.985 -3.885 1
1 453 . 15 1 1 A 51 51 CYS H H 49 8.530 7.993 0.537 1
1 454 . 15 1 1 A 51 51 CYS HA H 49 4.070 4.100 -0.030 1
1 457 . 15 1 1 A 51 51 CYS C C 49 176.800 180.162 -3.362 1
1 458 . 15 1 1 A 51 51 CYS CA C 49 65.000 54.939 10.061 1
1 459 . 15 1 1 A 51 51 CYS CB C 49 27.100 18.173 8.927 1
1 460 . 15 1 1 A 51 51 CYS N N 49 119.000 120.521 -1.521 1
1 461 . 15 1 1 A 52 52 LEU H H 50 8.660 8.128 0.532 1
1 462 . 15 1 1 A 52 52 LEU HA H 50 3.990 4.118 -0.128 1
1 472 . 15 1 1 A 52 52 LEU C C 50 179.800 179.554 0.246 1
1 473 . 15 1 1 A 52 52 LEU CA C 50 58.200 55.036 3.164 1
1 474 . 15 1 1 A 52 52 LEU CB C 50 41.000 18.234 22.766 1
1 478 . 15 1 1 A 52 52 LEU N N 50 121.100 119.886 1.214 1
1 479 . 15 1 1 A 53 53 ASP H H 51 8.020 8.376 -0.356 1
1 480 . 15 1 1 A 53 53 ASP HA H 51 4.370 4.041 0.329 1
1 483 . 15 1 1 A 53 53 ASP C C 51 177.500 177.214 0.286 1
1 484 . 15 1 1 A 53 53 ASP CA C 51 57.500 63.933 -6.433 1
1 485 . 15 1 1 A 53 53 ASP CB C 51 41.500 27.314 14.186 1
1 486 . 15 1 1 A 53 53 ASP N N 51 120.300 116.216 4.084 1
1 487 . 15 1 1 A 54 54 TYR H H 52 7.760 8.320 -0.560 1
1 488 . 15 1 1 A 54 54 TYR HA H 52 3.770 3.860 -0.090 1
1 495 . 15 1 1 A 54 54 TYR C C 52 179.000 178.698 0.302 1
1 496 . 15 1 1 A 54 54 TYR CA C 52 62.300 58.204 4.096 1
1 497 . 15 1 1 A 54 54 TYR CB C 52 37.700 41.603 -3.903 1
1 502 . 15 1 1 A 54 54 TYR N N 52 119.700 120.533 -0.833 1
1 503 . 15 1 1 A 55 55 VAL H H 53 8.250 8.785 -0.535 1
1 504 . 15 1 1 A 55 55 VAL HA H 53 3.580 4.252 -0.672 1
1 512 . 15 1 1 A 55 55 VAL C C 53 177.700 177.751 -0.051 1
1 513 . 15 1 1 A 55 55 VAL CA C 53 66.800 57.082 9.718 1
1 514 . 15 1 1 A 55 55 VAL CB C 53 31.900 41.537 -9.637 1
1 517 . 15 1 1 A 55 55 VAL N N 53 120.200 119.031 1.169 1
1 518 . 15 1 1 A 56 56 GLU H H 54 8.170 8.356 -0.186 1
1 519 . 15 1 1 A 56 56 GLU HA H 54 4.010 4.120 -0.110 1
1 524 . 15 1 1 A 56 56 GLU C C 54 178.700 177.829 0.871 1
1 525 . 15 1 1 A 56 56 GLU CA C 54 59.200 61.293 -2.093 1
1 526 . 15 1 1 A 56 56 GLU CB C 54 29.600 38.773 -9.173 1
1 528 . 15 1 1 A 56 56 GLU N N 54 119.600 120.837 -1.237 1
1 529 . 15 1 1 A 57 57 LYS H H 55 7.800 8.135 -0.335 1
1 530 . 15 1 1 A 57 57 LYS HA H 55 4.040 3.752 0.288 1
1 539 . 15 1 1 A 57 57 LYS C C 55 177.900 178.141 -0.241 1
1 540 . 15 1 1 A 57 57 LYS CA C 55 57.900 66.362 -8.462 1
1 541 . 15 1 1 A 57 57 LYS CB C 55 33.300 31.573 1.727 1
1 545 . 15 1 1 A 57 57 LYS N N 55 115.700 118.831 -3.131 1
1 546 . 15 1 1 A 58 58 ASN H H 56 7.570 8.302 -0.732 1
1 547 . 15 1 1 A 58 58 ASN HA H 56 4.490 3.963 0.527 1
1 552 . 15 1 1 A 58 58 ASN C C 56 174.300 178.830 -4.530 1
1 553 . 15 1 1 A 58 58 ASN CA C 56 54.700 59.010 -4.310 1
1 554 . 15 1 1 A 58 58 ASN CB C 56 40.100 29.069 11.031 1
1 555 . 15 1 1 A 58 58 ASN N N 56 115.000 121.276 -6.276 1
1 557 . 15 1 1 A 59 59 TRP H H 57 8.120 7.978 0.142 1
1 562 . 15 1 1 A 59 59 TRP CA C 57 57.800 58.326 -0.526 1
1 563 . 15 1 1 A 59 59 TRP CB C 57 29.800 32.405 -2.605 1
1 564 . 15 1 1 A 59 59 TRP N N 57 121.400 119.068 2.332 1
1 566 . 15 1 1 A 64 64 PRO HA H 62 4.410 4.791 -0.381 1
1 571 . 15 1 1 A 64 64 PRO C C 62 176.200 174.828 1.372 1
1 572 . 15 1 1 A 64 64 PRO CA C 62 63.300 54.481 8.819 1
1 573 . 15 1 1 A 64 64 PRO CB C 62 32.100 43.202 -11.102 1
1 576 . 15 1 1 A 65 65 LYS H H 63 8.030 8.812 -0.782 1
1 577 . 15 1 1 A 65 65 LYS HA H 63 4.130 4.759 -0.629 1
1 580 . 15 1 1 A 65 65 LYS CA C 63 57.700 52.450 5.250 1
1 581 . 15 1 1 A 65 65 LYS CB C 63 33.600 31.778 1.822 1
1 3 . 16 1 1 A 4 4 MET H H 2 8.430 8.321 0.109 1
1 7 . 16 1 1 A 4 4 MET C C 2 176.000 173.663 2.337 1
1 8 . 16 1 1 A 4 4 MET CA C 2 55.400 59.070 -3.670 1
1 9 . 16 1 1 A 4 4 MET CB C 2 32.900 63.177 -30.277 1
1 11 . 16 1 1 A 4 4 MET N N 2 120.500 115.811 4.689 1
1 12 . 16 1 1 A 5 5 SER H H 3 8.400 8.943 -0.543 1
1 13 . 16 1 1 A 5 5 SER HA H 3 4.500 5.049 -0.549 1
1 16 . 16 1 1 A 5 5 SER C C 3 174.700 174.233 0.467 1
1 17 . 16 1 1 A 5 5 SER CA C 3 58.400 54.582 3.818 1
1 18 . 16 1 1 A 5 5 SER CB C 3 63.800 32.970 30.830 1
1 19 . 16 1 1 A 5 5 SER N N 3 117.300 124.058 -6.758 1
1 20 . 16 1 1 A 6 6 THR H H 4 8.210 9.029 -0.819 1
1 21 . 16 1 1 A 6 6 THR HA H 4 4.330 4.977 -0.647 1
1 26 . 16 1 1 A 6 6 THR C C 4 174.000 174.533 -0.533 1
1 27 . 16 1 1 A 6 6 THR CA C 4 61.900 54.067 7.833 1
1 28 . 16 1 1 A 6 6 THR CB C 4 69.900 32.747 37.153 1
1 30 . 16 1 1 A 6 6 THR N N 4 115.400 122.891 -7.491 1
1 31 . 16 1 1 A 7 7 ASN H H 5 8.440 8.778 -0.338 1
1 32 . 16 1 1 A 7 7 ASN HA H 5 4.950 4.750 0.200 1
1 37 . 16 1 1 A 7 7 ASN CA C 5 50.900 56.883 -5.983 1
1 38 . 16 1 1 A 7 7 ASN CB C 5 39.000 62.854 -23.854 1
1 39 . 16 1 1 A 7 7 ASN N N 5 121.600 121.104 0.496 1
1 41 . 16 1 1 A 8 8 PRO HA H 6 4.310 4.456 -0.146 1
1 48 . 16 1 1 A 8 8 PRO C C 6 177.100 173.940 3.160 1
1 49 . 16 1 1 A 8 8 PRO CA C 6 64.000 63.075 0.925 1
1 50 . 16 1 1 A 8 8 PRO CB C 6 32.100 68.761 -36.661 1
1 53 . 16 1 1 A 9 9 PHE H H 7 8.020 7.681 0.339 1
1 54 . 16 1 1 A 9 9 PHE HA H 7 4.480 5.107 -0.627 1
1 59 . 16 1 1 A 9 9 PHE CA C 7 58.300 49.689 8.611 1
1 60 . 16 1 1 A 9 9 PHE CB C 7 38.800 38.965 -0.165 1
1 63 . 16 1 1 A 9 9 PHE N N 7 117.200 120.227 -3.027 1
1 64 . 16 1 1 A 12 12 ASP C C 10 176.700 175.325 1.375 1
1 65 . 16 1 1 A 12 12 ASP CA C 10 54.800 54.115 0.685 1
1 66 . 16 1 1 A 12 12 ASP CB C 10 41.000 41.600 -0.600 1
1 67 . 16 1 1 A 13 13 ASN H H 11 8.490 8.727 -0.237 1
1 70 . 16 1 1 A 13 13 ASN C C 11 175.700 175.005 0.695 1
1 71 . 16 1 1 A 13 13 ASN CA C 11 53.400 54.238 -0.838 1
1 72 . 16 1 1 A 13 13 ASN CB C 11 39.200 40.920 -1.720 1
1 73 . 16 1 1 A 13 13 ASN N N 11 118.500 126.320 -7.820 1
1 75 . 16 1 1 A 14 14 GLY H H 12 8.200 8.643 -0.443 1
1 78 . 16 1 1 A 14 14 GLY C C 12 172.200 174.833 -2.633 1
1 79 . 16 1 1 A 14 14 GLY CA C 12 45.200 52.976 -7.776 1
1 80 . 16 1 1 A 14 14 GLY N N 12 108.500 126.107 -17.607 1
1 81 . 16 1 1 A 15 15 ALA H H 13 7.670 8.631 -0.961 1
1 82 . 16 1 1 A 15 15 ALA HA H 13 4.600 5.268 -0.668 1
1 86 . 16 1 1 A 15 15 ALA C C 13 176.500 173.975 2.525 1
1 87 . 16 1 1 A 15 15 ALA CA C 13 51.400 52.233 -0.833 1
1 88 . 16 1 1 A 15 15 ALA CB C 13 21.000 40.013 -19.013 1
1 89 . 16 1 1 A 15 15 ALA N N 13 122.600 121.570 1.030 1
1 90 . 16 1 1 A 16 16 PHE H H 14 9.350 8.304 1.046 1
1 98 . 16 1 1 A 16 16 PHE C C 14 174.300 172.060 2.240 1
1 99 . 16 1 1 A 16 16 PHE CA C 14 57.600 45.968 11.632 1
1 105 . 16 1 1 A 16 16 PHE N N 14 120.000 112.448 7.552 1
1 106 . 16 1 1 A 17 17 PHE H H 15 9.550 8.209 1.341 1
1 107 . 16 1 1 A 17 17 PHE HA H 15 5.600 3.997 1.603 1
1 112 . 16 1 1 A 17 17 PHE C C 15 177.700 176.558 1.142 1
1 113 . 16 1 1 A 17 17 PHE CA C 15 55.900 51.154 4.746 1
1 114 . 16 1 1 A 17 17 PHE CB C 15 44.100 19.896 24.204 1
1 117 . 16 1 1 A 17 17 PHE N N 15 115.700 124.455 -8.755 1
1 118 . 16 1 1 A 18 18 VAL H H 16 8.670 8.006 0.664 1
1 119 . 16 1 1 A 18 18 VAL HA H 16 4.220 5.521 -1.301 1
1 127 . 16 1 1 A 18 18 VAL C C 16 175.200 172.582 2.618 1
1 128 . 16 1 1 A 18 18 VAL CA C 16 62.700 55.756 6.944 1
1 129 . 16 1 1 A 18 18 VAL CB C 16 32.700 42.512 -9.812 1
1 132 . 16 1 1 A 18 18 VAL N N 16 117.200 115.288 1.912 1
1 133 . 16 1 1 A 19 19 LEU H H 17 9.500 9.878 -0.378 1
1 134 . 16 1 1 A 19 19 LEU HA H 17 5.730 5.310 0.420 1
1 144 . 16 1 1 A 19 19 LEU C C 17 176.700 175.325 1.375 1
1 145 . 16 1 1 A 19 19 LEU CA C 17 52.100 56.776 -4.676 1
1 146 . 16 1 1 A 19 19 LEU CB C 17 46.800 42.231 4.569 1
1 150 . 16 1 1 A 19 19 LEU N N 17 127.100 118.827 8.273 1
1 151 . 16 1 1 A 20 20 VAL H H 18 9.170 8.831 0.339 1
1 152 . 16 1 1 A 20 20 VAL HA H 18 5.710 4.515 1.195 1
1 160 . 16 1 1 A 20 20 VAL C C 18 174.800 174.994 -0.194 1
1 161 . 16 1 1 A 20 20 VAL CA C 18 59.300 62.742 -3.442 1
1 162 . 16 1 1 A 20 20 VAL CB C 18 36.700 30.985 5.715 1
1 165 . 16 1 1 A 20 20 VAL N N 18 115.900 122.166 -6.266 1
1 166 . 16 1 1 A 21 21 ASN H H 19 7.320 9.217 -1.897 1
1 167 . 16 1 1 A 21 21 ASN HA H 19 4.720 5.313 -0.593 1
1 170 . 16 1 1 A 21 21 ASN C C 19 177.700 174.936 2.764 1
1 171 . 16 1 1 A 21 21 ASN CA C 19 49.700 53.525 -3.825 1
1 172 . 16 1 1 A 21 21 ASN CB C 19 37.500 45.114 -7.614 1
1 173 . 16 1 1 A 21 21 ASN N N 19 122.600 130.022 -7.422 1
1 174 . 16 1 1 A 22 22 ASP H H 20 8.240 9.364 -1.124 1
1 175 . 16 1 1 A 22 22 ASP HA H 20 4.400 4.844 -0.444 1
1 178 . 16 1 1 A 22 22 ASP C C 20 176.600 174.483 2.117 1
1 179 . 16 1 1 A 22 22 ASP CA C 20 56.400 60.420 -4.020 1
1 180 . 16 1 1 A 22 22 ASP CB C 20 40.100 35.542 4.558 1
1 181 . 16 1 1 A 22 22 ASP N N 20 117.500 126.230 -8.730 1
1 182 . 16 1 1 A 23 23 GLU H H 21 7.220 8.914 -1.694 1
1 183 . 16 1 1 A 23 23 GLU HA H 21 4.380 5.138 -0.758 1
1 188 . 16 1 1 A 23 23 GLU C C 21 175.500 175.482 0.018 1
1 189 . 16 1 1 A 23 23 GLU CA C 21 55.600 50.965 4.635 1
1 190 . 16 1 1 A 23 23 GLU CB C 21 29.500 41.624 -12.124 1
1 192 . 16 1 1 A 23 23 GLU N N 21 118.100 124.270 -6.170 1
1 193 . 16 1 1 A 24 24 ASP H H 22 8.030 8.778 -0.748 1
1 194 . 16 1 1 A 24 24 ASP HA H 22 4.280 4.313 -0.033 1
1 197 . 16 1 1 A 24 24 ASP CA C 22 56.200 57.386 -1.186 1
1 198 . 16 1 1 A 24 24 ASP CB C 22 40.000 41.359 -1.359 1
1 199 . 16 1 1 A 24 24 ASP N N 22 115.700 124.639 -8.939 1
1 200 . 16 1 1 A 25 25 GLN H H 23 7.710 8.152 -0.442 1
1 201 . 16 1 1 A 25 25 GLN HA H 23 4.270 4.349 -0.079 1
1 206 . 16 1 1 A 25 25 GLN C C 23 175.300 175.006 0.294 1
1 207 . 16 1 1 A 25 25 GLN CA C 23 55.200 56.538 -1.338 1
1 208 . 16 1 1 A 25 25 GLN CB C 23 29.400 29.519 -0.119 1
1 209 . 16 1 1 A 25 25 GLN N N 23 116.800 115.017 1.783 1
1 210 . 16 1 1 A 26 26 HIS H H 24 8.870 7.792 1.078 1
1 211 . 16 1 1 A 26 26 HIS HA H 24 6.030 4.826 1.204 1
1 214 . 16 1 1 A 26 26 HIS CA C 24 54.400 53.004 1.396 1
1 215 . 16 1 1 A 26 26 HIS CB C 24 32.700 43.193 -10.493 1
1 216 . 16 1 1 A 26 26 HIS N N 24 113.400 121.475 -8.075 1
1 219 . 16 1 1 A 27 27 SER CB C 25 66.800 29.517 37.283 1
1 220 . 16 1 1 A 28 28 LEU HA H 26 5.430 5.021 0.409 1
1 230 . 16 1 1 A 28 28 LEU CA C 26 56.100 54.685 1.415 1
1 231 . 16 1 1 A 28 28 LEU CB C 26 43.600 31.429 12.171 1
1 235 . 16 1 1 A 29 29 TRP HA H 27 5.320 5.172 0.148 1
1 242 . 16 1 1 A 29 29 TRP CA C 27 54.100 57.789 -3.689 1
1 243 . 16 1 1 A 29 29 TRP CB C 27 36.000 65.371 -29.371 1
1 248 . 16 1 1 A 30 30 PRO C C 28 177.500 175.535 1.965 1
1 249 . 16 1 1 A 30 30 PRO CA C 28 62.400 54.440 7.960 1
1 250 . 16 1 1 A 30 30 PRO CB C 28 31.700 40.938 -9.238 1
1 253 . 16 1 1 A 31 31 VAL H H 29 7.000 8.988 -1.988 1
1 254 . 16 1 1 A 31 31 VAL HA H 29 3.710 5.376 -1.666 1
1 262 . 16 1 1 A 31 31 VAL CA C 29 63.600 54.963 8.637 1
1 263 . 16 1 1 A 31 31 VAL CB C 29 31.200 31.552 -0.352 1
1 266 . 16 1 1 A 31 31 VAL N N 29 114.100 128.042 -13.942 1
1 270 . 16 1 1 A 33 33 ALA C C 31 177.500 175.911 1.589 1
1 271 . 16 1 1 A 33 33 ALA CA C 31 50.900 61.527 -10.627 1
1 272 . 16 1 1 A 33 33 ALA CB C 31 20.200 33.086 -12.886 1
1 273 . 16 1 1 A 34 34 ASP H H 32 8.830 8.790 0.040 1
1 274 . 16 1 1 A 34 34 ASP HA H 32 4.500 4.458 0.042 1
1 277 . 16 1 1 A 34 34 ASP C C 32 176.900 174.873 2.027 1
1 278 . 16 1 1 A 34 34 ASP CA C 32 55.200 59.401 -4.201 1
1 279 . 16 1 1 A 34 34 ASP CB C 32 40.400 38.641 1.759 1
1 280 . 16 1 1 A 34 34 ASP N N 32 124.600 121.137 3.463 1
1 281 . 16 1 1 A 35 35 ILE H H 33 8.590 8.283 0.307 1
1 282 . 16 1 1 A 35 35 ILE HA H 33 3.610 4.387 -0.777 1
1 292 . 16 1 1 A 35 35 ILE C C 33 176.100 176.374 -0.274 1
1 293 . 16 1 1 A 35 35 ILE CA C 33 58.600 52.304 6.296 1
1 294 . 16 1 1 A 35 35 ILE CB C 33 37.600 19.894 17.706 1
1 298 . 16 1 1 A 35 35 ILE N N 33 125.200 124.052 1.148 1
1 299 . 16 1 1 A 36 36 PRO HA H 34 4.290 4.906 -0.616 1
1 306 . 16 1 1 A 36 36 PRO C C 34 179.400 176.077 3.323 1
1 307 . 16 1 1 A 36 36 PRO CA C 34 62.600 54.029 8.571 1
1 308 . 16 1 1 A 36 36 PRO CB C 34 31.600 41.953 -10.353 1
1 311 . 16 1 1 A 37 37 ALA H H 35 8.300 8.543 -0.243 1
1 312 . 16 1 1 A 37 37 ALA HA H 35 4.190 4.476 -0.286 1
1 316 . 16 1 1 A 37 37 ALA CA C 35 53.600 57.341 -3.741 1
1 317 . 16 1 1 A 37 37 ALA CB C 35 18.400 38.323 -19.923 1
1 318 . 16 1 1 A 37 37 ALA N N 35 123.600 125.724 -2.124 1
1 322 . 16 1 1 A 38 38 GLY C C 36 174.000 175.380 -1.380 1
1 323 . 16 1 1 A 38 38 GLY CA C 36 45.000 62.291 -17.291 1
1 324 . 16 1 1 A 38 38 GLY N N 36 110.200 141.286 -31.086 1
1 325 . 16 1 1 A 39 39 TRP H H 37 7.700 8.427 -0.727 1
1 326 . 16 1 1 A 39 39 TRP HA H 37 4.900 4.968 -0.068 1
1 331 . 16 1 1 A 39 39 TRP C C 37 175.000 177.576 -2.576 1
1 332 . 16 1 1 A 39 39 TRP CA C 37 56.000 50.982 5.018 1
1 333 . 16 1 1 A 39 39 TRP CB C 37 31.800 22.266 9.534 1
1 335 . 16 1 1 A 39 39 TRP N N 37 120.800 121.499 -0.699 1
1 337 . 16 1 1 A 40 40 ARG H H 38 9.050 8.475 0.575 1
1 344 . 16 1 1 A 40 40 ARG C C 38 174.900 173.944 0.956 1
1 345 . 16 1 1 A 40 40 ARG CA C 38 54.000 46.019 7.981 1
1 349 . 16 1 1 A 40 40 ARG N N 38 118.200 109.694 8.506 1
1 350 . 16 1 1 A 41 41 VAL H H 39 8.660 7.168 1.492 1
1 351 . 16 1 1 A 41 41 VAL HA H 39 4.040 4.749 -0.709 1
1 359 . 16 1 1 A 41 41 VAL C C 39 178.000 175.089 2.911 1
1 360 . 16 1 1 A 41 41 VAL CA C 39 63.800 56.604 7.196 1
1 361 . 16 1 1 A 41 41 VAL CB C 39 32.400 31.570 0.830 1
1 364 . 16 1 1 A 41 41 VAL N N 39 122.700 119.917 2.783 1
1 365 . 16 1 1 A 42 42 VAL H H 40 9.090 8.959 0.131 1
1 366 . 16 1 1 A 42 42 VAL HA H 40 4.740 5.165 -0.425 1
1 374 . 16 1 1 A 42 42 VAL C C 40 174.800 174.592 0.208 1
1 375 . 16 1 1 A 42 42 VAL CA C 40 61.000 55.159 5.841 1
1 376 . 16 1 1 A 42 42 VAL CB C 40 34.100 34.071 0.029 1
1 379 . 16 1 1 A 42 42 VAL N N 40 119.800 120.806 -1.006 1
1 380 . 16 1 1 A 43 43 HIS H H 41 7.700 9.294 -1.594 1
1 381 . 16 1 1 A 43 43 HIS HA H 41 4.530 4.370 0.160 1
1 384 . 16 1 1 A 43 43 HIS C C 41 173.400 175.508 -2.108 1
1 385 . 16 1 1 A 43 43 HIS CA C 41 57.500 63.053 -5.553 1
1 386 . 16 1 1 A 43 43 HIS CB C 41 32.800 31.896 0.904 1
1 387 . 16 1 1 A 43 43 HIS N N 41 119.700 127.974 -8.274 1
1 388 . 16 1 1 A 44 44 GLY H H 42 7.590 9.172 -1.582 1
1 391 . 16 1 1 A 44 44 GLY C C 42 174.600 175.906 -1.306 1
1 392 . 16 1 1 A 44 44 GLY CA C 42 42.400 64.197 -21.797 1
1 393 . 16 1 1 A 44 44 GLY N N 42 112.000 128.668 -16.668 1
1 394 . 16 1 1 A 45 45 GLU H H 43 8.700 7.598 1.102 1
1 395 . 16 1 1 A 45 45 GLU HA H 43 4.120 4.737 -0.617 1
1 400 . 16 1 1 A 45 45 GLU C C 43 175.200 173.260 1.940 1
1 401 . 16 1 1 A 45 45 GLU CA C 43 56.900 55.902 0.998 1
1 402 . 16 1 1 A 45 45 GLU CB C 43 30.900 32.098 -1.198 1
1 404 . 16 1 1 A 45 45 GLU N N 43 121.700 116.442 5.258 1
1 405 . 16 1 1 A 46 46 ALA H H 44 9.400 7.784 1.616 1
1 409 . 16 1 1 A 46 46 ALA C C 44 175.100 172.412 2.688 1
1 410 . 16 1 1 A 46 46 ALA CA C 44 51.100 43.561 7.539 1
1 412 . 16 1 1 A 46 46 ALA N N 44 127.000 111.506 15.494 1
1 413 . 16 1 1 A 47 47 SER H H 45 8.710 8.133 0.577 1
1 414 . 16 1 1 A 47 47 SER HA H 45 4.730 4.945 -0.215 1
1 417 . 16 1 1 A 47 47 SER C C 45 175.000 175.612 -0.612 1
1 418 . 16 1 1 A 47 47 SER CA C 45 57.900 55.301 2.599 1
1 419 . 16 1 1 A 47 47 SER CB C 45 64.900 29.480 35.420 1
1 420 . 16 1 1 A 47 47 SER N N 45 115.300 119.698 -4.398 1
1 421 . 16 1 1 A 48 48 ARG H H 46 9.520 8.330 1.190 1
1 422 . 16 1 1 A 48 48 ARG HA H 46 3.390 4.885 -1.495 1
1 429 . 16 1 1 A 48 48 ARG C C 46 178.300 177.384 0.916 1
1 430 . 16 1 1 A 48 48 ARG CA C 46 61.000 50.307 10.693 1
1 431 . 16 1 1 A 48 48 ARG CB C 46 30.100 22.202 7.898 1
1 434 . 16 1 1 A 48 48 ARG N N 46 123.400 128.602 -5.202 1
1 435 . 16 1 1 A 49 49 ALA H H 47 8.620 8.473 0.147 1
1 436 . 16 1 1 A 49 49 ALA HA H 47 3.970 4.575 -0.605 1
1 440 . 16 1 1 A 49 49 ALA C C 47 180.500 175.017 5.483 1
1 441 . 16 1 1 A 49 49 ALA CA C 47 55.400 60.270 -4.870 1
1 442 . 16 1 1 A 49 49 ALA CB C 47 18.200 63.787 -45.587 1
1 443 . 16 1 1 A 49 49 ALA N N 47 118.800 115.661 3.139 1
1 444 . 16 1 1 A 50 50 ALA H H 48 8.130 8.976 -0.846 1
1 445 . 16 1 1 A 50 50 ALA HA H 48 4.260 3.437 0.823 1
1 449 . 16 1 1 A 50 50 ALA C C 48 182.500 177.934 4.566 1
1 450 . 16 1 1 A 50 50 ALA CA C 48 54.900 59.841 -4.941 1
1 451 . 16 1 1 A 50 50 ALA CB C 48 19.100 29.530 -10.430 1
1 452 . 16 1 1 A 50 50 ALA N N 48 122.100 126.044 -3.944 1
1 453 . 16 1 1 A 51 51 CYS H H 49 8.530 8.103 0.427 1
1 454 . 16 1 1 A 51 51 CYS HA H 49 4.070 4.059 0.011 1
1 457 . 16 1 1 A 51 51 CYS C C 49 176.800 180.188 -3.388 1
1 458 . 16 1 1 A 51 51 CYS CA C 49 65.000 55.072 9.928 1
1 459 . 16 1 1 A 51 51 CYS CB C 49 27.100 18.167 8.933 1
1 460 . 16 1 1 A 51 51 CYS N N 49 119.000 120.325 -1.325 1
1 461 . 16 1 1 A 52 52 LEU H H 50 8.660 7.987 0.673 1
1 462 . 16 1 1 A 52 52 LEU HA H 50 3.990 4.177 -0.187 1
1 472 . 16 1 1 A 52 52 LEU C C 50 179.800 179.751 0.049 1
1 473 . 16 1 1 A 52 52 LEU CA C 50 58.200 54.878 3.322 1
1 474 . 16 1 1 A 52 52 LEU CB C 50 41.000 18.306 22.694 1
1 478 . 16 1 1 A 52 52 LEU N N 50 121.100 119.823 1.277 1
1 479 . 16 1 1 A 53 53 ASP H H 51 8.020 8.166 -0.146 1
1 480 . 16 1 1 A 53 53 ASP HA H 51 4.370 4.142 0.228 1
1 483 . 16 1 1 A 53 53 ASP C C 51 177.500 177.105 0.395 1
1 484 . 16 1 1 A 53 53 ASP CA C 51 57.500 63.823 -6.323 1
1 485 . 16 1 1 A 53 53 ASP CB C 51 41.500 27.555 13.945 1
1 486 . 16 1 1 A 53 53 ASP N N 51 120.300 116.108 4.192 1
1 487 . 16 1 1 A 54 54 TYR H H 52 7.760 8.313 -0.553 1
1 488 . 16 1 1 A 54 54 TYR HA H 52 3.770 3.853 -0.083 1
1 495 . 16 1 1 A 54 54 TYR C C 52 179.000 178.533 0.467 1
1 496 . 16 1 1 A 54 54 TYR CA C 52 62.300 58.116 4.184 1
1 497 . 16 1 1 A 54 54 TYR CB C 52 37.700 41.399 -3.699 1
1 502 . 16 1 1 A 54 54 TYR N N 52 119.700 120.187 -0.487 1
1 503 . 16 1 1 A 55 55 VAL H H 53 8.250 8.559 -0.309 1
1 504 . 16 1 1 A 55 55 VAL HA H 53 3.580 4.236 -0.656 1
1 512 . 16 1 1 A 55 55 VAL C C 53 177.700 177.684 0.016 1
1 513 . 16 1 1 A 55 55 VAL CA C 53 66.800 57.306 9.494 1
1 514 . 16 1 1 A 55 55 VAL CB C 53 31.900 41.593 -9.693 1
1 517 . 16 1 1 A 55 55 VAL N N 53 120.200 119.080 1.120 1
1 518 . 16 1 1 A 56 56 GLU H H 54 8.170 8.109 0.061 1
1 519 . 16 1 1 A 56 56 GLU HA H 54 4.010 4.168 -0.158 1
1 524 . 16 1 1 A 56 56 GLU C C 54 178.700 177.987 0.713 1
1 525 . 16 1 1 A 56 56 GLU CA C 54 59.200 61.418 -2.218 1
1 526 . 16 1 1 A 56 56 GLU CB C 54 29.600 38.795 -9.195 1
1 528 . 16 1 1 A 56 56 GLU N N 54 119.600 120.714 -1.114 1
1 529 . 16 1 1 A 57 57 LYS H H 55 7.800 8.137 -0.337 1
1 530 . 16 1 1 A 57 57 LYS HA H 55 4.040 3.761 0.279 1
1 539 . 16 1 1 A 57 57 LYS C C 55 177.900 178.045 -0.145 1
1 540 . 16 1 1 A 57 57 LYS CA C 55 57.900 66.379 -8.479 1
1 541 . 16 1 1 A 57 57 LYS CB C 55 33.300 31.543 1.757 1
1 545 . 16 1 1 A 57 57 LYS N N 55 115.700 118.800 -3.100 1
1 546 . 16 1 1 A 58 58 ASN H H 56 7.570 8.479 -0.909 1
1 547 . 16 1 1 A 58 58 ASN HA H 56 4.490 3.950 0.540 1
1 552 . 16 1 1 A 58 58 ASN C C 56 174.300 178.828 -4.528 1
1 553 . 16 1 1 A 58 58 ASN CA C 56 54.700 59.388 -4.688 1
1 554 . 16 1 1 A 58 58 ASN CB C 56 40.100 29.375 10.725 1
1 555 . 16 1 1 A 58 58 ASN N N 56 115.000 121.528 -6.528 1
1 557 . 16 1 1 A 59 59 TRP H H 57 8.120 8.044 0.076 1
1 562 . 16 1 1 A 59 59 TRP CA C 57 57.800 58.136 -0.336 1
1 563 . 16 1 1 A 59 59 TRP CB C 57 29.800 32.376 -2.576 1
1 564 . 16 1 1 A 59 59 TRP N N 57 121.400 119.154 2.246 1
1 566 . 16 1 1 A 64 64 PRO HA H 62 4.410 4.066 0.344 1
1 571 . 16 1 1 A 64 64 PRO C C 62 176.200 176.968 -0.768 1
1 572 . 16 1 1 A 64 64 PRO CA C 62 63.300 57.410 5.890 1
1 573 . 16 1 1 A 64 64 PRO CB C 62 32.100 41.961 -9.861 1
1 576 . 16 1 1 A 65 65 LYS H H 63 8.030 8.276 -0.246 1
1 577 . 16 1 1 A 65 65 LYS HA H 63 4.130 4.626 -0.496 1
1 580 . 16 1 1 A 65 65 LYS CA C 63 57.700 53.425 4.275 1
1 581 . 16 1 1 A 65 65 LYS CB C 63 33.600 30.772 2.828 1
1 3 . 17 1 1 A 4 4 MET H H 2 8.430 8.415 0.015 1
1 7 . 17 1 1 A 4 4 MET C C 2 176.000 173.256 2.744 1
1 8 . 17 1 1 A 4 4 MET CA C 2 55.400 56.728 -1.328 1
1 9 . 17 1 1 A 4 4 MET CB C 2 32.900 65.583 -32.683 1
1 11 . 17 1 1 A 4 4 MET N N 2 120.500 115.305 5.195 1
1 12 . 17 1 1 A 5 5 SER H H 3 8.400 8.921 -0.521 1
1 13 . 17 1 1 A 5 5 SER HA H 3 4.500 4.607 -0.107 1
1 16 . 17 1 1 A 5 5 SER C C 3 174.700 174.507 0.193 1
1 17 . 17 1 1 A 5 5 SER CA C 3 58.400 56.372 2.028 1
1 18 . 17 1 1 A 5 5 SER CB C 3 63.800 29.228 34.572 1
1 19 . 17 1 1 A 5 5 SER N N 3 117.300 126.430 -9.130 1
1 20 . 17 1 1 A 6 6 THR H H 4 8.210 8.506 -0.296 1
1 21 . 17 1 1 A 6 6 THR HA H 4 4.330 4.705 -0.375 1
1 26 . 17 1 1 A 6 6 THR C C 4 174.000 175.187 -1.187 1
1 27 . 17 1 1 A 6 6 THR CA C 4 61.900 54.347 7.553 1
1 28 . 17 1 1 A 6 6 THR CB C 4 69.900 31.168 38.732 1
1 30 . 17 1 1 A 6 6 THR N N 4 115.400 124.824 -9.424 1
1 31 . 17 1 1 A 7 7 ASN H H 5 8.440 8.267 0.173 1
1 32 . 17 1 1 A 7 7 ASN HA H 5 4.950 4.669 0.281 1
1 37 . 17 1 1 A 7 7 ASN CA C 5 50.900 58.832 -7.932 1
1 38 . 17 1 1 A 7 7 ASN CB C 5 39.000 64.075 -25.075 1
1 39 . 17 1 1 A 7 7 ASN N N 5 121.600 120.831 0.769 1
1 41 . 17 1 1 A 8 8 PRO HA H 6 4.310 4.677 -0.367 1
1 48 . 17 1 1 A 8 8 PRO C C 6 177.100 173.316 3.784 1
1 49 . 17 1 1 A 8 8 PRO CA C 6 64.000 61.356 2.644 1
1 50 . 17 1 1 A 8 8 PRO CB C 6 32.100 70.014 -37.914 1
1 53 . 17 1 1 A 9 9 PHE H H 7 8.020 8.661 -0.641 1
1 54 . 17 1 1 A 9 9 PHE HA H 7 4.480 5.346 -0.866 1
1 59 . 17 1 1 A 9 9 PHE CA C 7 58.300 49.616 8.684 1
1 60 . 17 1 1 A 9 9 PHE CB C 7 38.800 39.912 -1.112 1
1 63 . 17 1 1 A 9 9 PHE N N 7 117.200 127.461 -10.261 1
1 64 . 17 1 1 A 12 12 ASP C C 10 176.700 175.171 1.529 1
1 65 . 17 1 1 A 12 12 ASP CA C 10 54.800 53.691 1.109 1
1 66 . 17 1 1 A 12 12 ASP CB C 10 41.000 41.698 -0.698 1
1 67 . 17 1 1 A 13 13 ASN H H 11 8.490 7.952 0.538 1
1 70 . 17 1 1 A 13 13 ASN C C 11 175.700 174.397 1.303 1
1 71 . 17 1 1 A 13 13 ASN CA C 11 53.400 52.691 0.709 1
1 72 . 17 1 1 A 13 13 ASN CB C 11 39.200 44.175 -4.975 1
1 73 . 17 1 1 A 13 13 ASN N N 11 118.500 119.574 -1.074 1
1 75 . 17 1 1 A 14 14 GLY H H 12 8.200 8.974 -0.774 1
1 78 . 17 1 1 A 14 14 GLY C C 12 172.200 176.428 -4.228 1
1 79 . 17 1 1 A 14 14 GLY CA C 12 45.200 54.226 -9.026 1
1 80 . 17 1 1 A 14 14 GLY N N 12 108.500 125.981 -17.481 1
1 81 . 17 1 1 A 15 15 ALA H H 13 7.670 8.513 -0.843 1
1 82 . 17 1 1 A 15 15 ALA HA H 13 4.600 4.535 0.065 1
1 86 . 17 1 1 A 15 15 ALA C C 13 176.500 175.023 1.477 1
1 87 . 17 1 1 A 15 15 ALA CA C 13 51.400 54.630 -3.230 1
1 88 . 17 1 1 A 15 15 ALA CB C 13 21.000 39.748 -18.748 1
1 89 . 17 1 1 A 15 15 ALA N N 13 122.600 124.800 -2.200 1
1 90 . 17 1 1 A 16 16 PHE H H 14 9.350 7.692 1.658 1
1 98 . 17 1 1 A 16 16 PHE C C 14 174.300 172.694 1.606 1
1 99 . 17 1 1 A 16 16 PHE CA C 14 57.600 44.992 12.608 1
1 105 . 17 1 1 A 16 16 PHE N N 14 120.000 106.298 13.702 1
1 106 . 17 1 1 A 17 17 PHE H H 15 9.550 8.154 1.396 1
1 107 . 17 1 1 A 17 17 PHE HA H 15 5.600 4.156 1.444 1
1 112 . 17 1 1 A 17 17 PHE C C 15 177.700 177.321 0.379 1
1 113 . 17 1 1 A 17 17 PHE CA C 15 55.900 51.604 4.296 1
1 114 . 17 1 1 A 17 17 PHE CB C 15 44.100 19.495 24.605 1
1 117 . 17 1 1 A 17 17 PHE N N 15 115.700 124.176 -8.476 1
1 118 . 17 1 1 A 18 18 VAL H H 16 8.670 8.006 0.664 1
1 119 . 17 1 1 A 18 18 VAL HA H 16 4.220 5.854 -1.634 1
1 127 . 17 1 1 A 18 18 VAL C C 16 175.200 174.001 1.199 1
1 128 . 17 1 1 A 18 18 VAL CA C 16 62.700 55.247 7.453 1
1 129 . 17 1 1 A 18 18 VAL CB C 16 32.700 42.693 -9.993 1
1 132 . 17 1 1 A 18 18 VAL N N 16 117.200 117.095 0.105 1
1 133 . 17 1 1 A 19 19 LEU H H 17 9.500 9.708 -0.208 1
1 134 . 17 1 1 A 19 19 LEU HA H 17 5.730 5.328 0.402 1
1 144 . 17 1 1 A 19 19 LEU C C 17 176.700 175.297 1.403 1
1 145 . 17 1 1 A 19 19 LEU CA C 17 52.100 56.575 -4.475 1
1 146 . 17 1 1 A 19 19 LEU CB C 17 46.800 42.606 4.194 1
1 150 . 17 1 1 A 19 19 LEU N N 17 127.100 118.786 8.314 1
1 151 . 17 1 1 A 20 20 VAL H H 18 9.170 9.128 0.042 1
1 152 . 17 1 1 A 20 20 VAL HA H 18 5.710 4.599 1.111 1
1 160 . 17 1 1 A 20 20 VAL C C 18 174.800 175.250 -0.450 1
1 161 . 17 1 1 A 20 20 VAL CA C 18 59.300 62.643 -3.343 1
1 162 . 17 1 1 A 20 20 VAL CB C 18 36.700 31.229 5.471 1
1 165 . 17 1 1 A 20 20 VAL N N 18 115.900 122.439 -6.539 1
1 166 . 17 1 1 A 21 21 ASN H H 19 7.320 9.178 -1.858 1
1 167 . 17 1 1 A 21 21 ASN HA H 19 4.720 5.242 -0.522 1
1 170 . 17 1 1 A 21 21 ASN C C 19 177.700 175.178 2.522 1
1 171 . 17 1 1 A 21 21 ASN CA C 19 49.700 53.529 -3.829 1
1 172 . 17 1 1 A 21 21 ASN CB C 19 37.500 45.809 -8.309 1
1 173 . 17 1 1 A 21 21 ASN N N 19 122.600 129.759 -7.159 1
1 174 . 17 1 1 A 22 22 ASP H H 20 8.240 8.966 -0.726 1
1 175 . 17 1 1 A 22 22 ASP HA H 20 4.400 4.932 -0.532 1
1 178 . 17 1 1 A 22 22 ASP C C 20 176.600 174.307 2.293 1
1 179 . 17 1 1 A 22 22 ASP CA C 20 56.400 59.922 -3.522 1
1 180 . 17 1 1 A 22 22 ASP CB C 20 40.100 35.553 4.547 1
1 181 . 17 1 1 A 22 22 ASP N N 20 117.500 122.836 -5.336 1
1 182 . 17 1 1 A 23 23 GLU H H 21 7.220 8.732 -1.512 1
1 183 . 17 1 1 A 23 23 GLU HA H 21 4.380 4.952 -0.572 1
1 188 . 17 1 1 A 23 23 GLU C C 21 175.500 176.612 -1.112 1
1 189 . 17 1 1 A 23 23 GLU CA C 21 55.600 52.940 2.660 1
1 190 . 17 1 1 A 23 23 GLU CB C 21 29.500 39.130 -9.630 1
1 192 . 17 1 1 A 23 23 GLU N N 21 118.100 125.452 -7.352 1
1 193 . 17 1 1 A 24 24 ASP H H 22 8.030 8.727 -0.697 1
1 194 . 17 1 1 A 24 24 ASP HA H 22 4.280 4.338 -0.058 1
1 197 . 17 1 1 A 24 24 ASP CA C 22 56.200 57.225 -1.025 1
1 198 . 17 1 1 A 24 24 ASP CB C 22 40.000 40.392 -0.392 1
1 199 . 17 1 1 A 24 24 ASP N N 22 115.700 123.268 -7.568 1
1 200 . 17 1 1 A 25 25 GLN H H 23 7.710 8.262 -0.552 1
1 201 . 17 1 1 A 25 25 GLN HA H 23 4.270 4.326 -0.056 1
1 206 . 17 1 1 A 25 25 GLN C C 23 175.300 175.130 0.170 1
1 207 . 17 1 1 A 25 25 GLN CA C 23 55.200 56.305 -1.105 1
1 208 . 17 1 1 A 25 25 GLN CB C 23 29.400 29.135 0.265 1
1 209 . 17 1 1 A 25 25 GLN N N 23 116.800 115.238 1.562 1
1 210 . 17 1 1 A 26 26 HIS H H 24 8.870 7.993 0.877 1
1 211 . 17 1 1 A 26 26 HIS HA H 24 6.030 4.942 1.088 1
1 214 . 17 1 1 A 26 26 HIS CA C 24 54.400 52.043 2.357 1
1 215 . 17 1 1 A 26 26 HIS CB C 24 32.700 43.450 -10.750 1
1 216 . 17 1 1 A 26 26 HIS N N 24 113.400 120.383 -6.983 1
1 219 . 17 1 1 A 27 27 SER CB C 25 66.800 29.899 36.901 1
1 220 . 17 1 1 A 28 28 LEU HA H 26 5.430 4.953 0.477 1
1 230 . 17 1 1 A 28 28 LEU CA C 26 56.100 54.952 1.148 1
1 231 . 17 1 1 A 28 28 LEU CB C 26 43.600 31.662 11.938 1
1 235 . 17 1 1 A 29 29 TRP HA H 27 5.320 5.141 0.179 1
1 242 . 17 1 1 A 29 29 TRP CA C 27 54.100 58.187 -4.087 1
1 243 . 17 1 1 A 29 29 TRP CB C 27 36.000 65.152 -29.152 1
1 248 . 17 1 1 A 30 30 PRO C C 28 177.500 175.613 1.887 1
1 249 . 17 1 1 A 30 30 PRO CA C 28 62.400 54.722 7.678 1
1 250 . 17 1 1 A 30 30 PRO CB C 28 31.700 40.861 -9.161 1
1 253 . 17 1 1 A 31 31 VAL H H 29 7.000 8.998 -1.998 1
1 254 . 17 1 1 A 31 31 VAL HA H 29 3.710 5.499 -1.789 1
1 262 . 17 1 1 A 31 31 VAL CA C 29 63.600 54.352 9.248 1
1 263 . 17 1 1 A 31 31 VAL CB C 29 31.200 32.417 -1.217 1
1 266 . 17 1 1 A 31 31 VAL N N 29 114.100 127.838 -13.738 1
1 270 . 17 1 1 A 33 33 ALA C C 31 177.500 177.398 0.102 1
1 271 . 17 1 1 A 33 33 ALA CA C 31 50.900 64.242 -13.342 1
1 272 . 17 1 1 A 33 33 ALA CB C 31 20.200 31.355 -11.155 1
1 273 . 17 1 1 A 34 34 ASP H H 32 8.830 7.780 1.050 1
1 274 . 17 1 1 A 34 34 ASP HA H 32 4.500 4.060 0.440 1
1 277 . 17 1 1 A 34 34 ASP C C 32 176.900 174.779 2.121 1
1 278 . 17 1 1 A 34 34 ASP CA C 32 55.200 60.661 -5.461 1
1 279 . 17 1 1 A 34 34 ASP CB C 32 40.400 39.410 0.990 1
1 280 . 17 1 1 A 34 34 ASP N N 32 124.600 122.800 1.800 1
1 281 . 17 1 1 A 35 35 ILE H H 33 8.590 7.250 1.340 1
1 282 . 17 1 1 A 35 35 ILE HA H 33 3.610 4.473 -0.863 1
1 292 . 17 1 1 A 35 35 ILE C C 33 176.100 176.300 -0.200 1
1 293 . 17 1 1 A 35 35 ILE CA C 33 58.600 50.571 8.029 1
1 294 . 17 1 1 A 35 35 ILE CB C 33 37.600 21.151 16.449 1
1 298 . 17 1 1 A 35 35 ILE N N 33 125.200 120.040 5.160 1
1 299 . 17 1 1 A 36 36 PRO HA H 34 4.290 4.829 -0.539 1
1 306 . 17 1 1 A 36 36 PRO C C 34 179.400 176.188 3.212 1
1 307 . 17 1 1 A 36 36 PRO CA C 34 62.600 54.478 8.122 1
1 308 . 17 1 1 A 36 36 PRO CB C 34 31.600 41.635 -10.035 1
1 311 . 17 1 1 A 37 37 ALA H H 35 8.300 8.580 -0.280 1
1 312 . 17 1 1 A 37 37 ALA HA H 35 4.190 4.529 -0.339 1
1 316 . 17 1 1 A 37 37 ALA CA C 35 53.600 57.745 -4.145 1
1 317 . 17 1 1 A 37 37 ALA CB C 35 18.400 37.613 -19.213 1
1 318 . 17 1 1 A 37 37 ALA N N 35 123.600 126.219 -2.619 1
1 322 . 17 1 1 A 38 38 GLY C C 36 174.000 175.465 -1.465 1
1 323 . 17 1 1 A 38 38 GLY CA C 36 45.000 62.358 -17.358 1
1 324 . 17 1 1 A 38 38 GLY N N 36 110.200 142.290 -32.090 1
1 325 . 17 1 1 A 39 39 TRP H H 37 7.700 8.560 -0.860 1
1 326 . 17 1 1 A 39 39 TRP HA H 37 4.900 4.963 -0.063 1
1 331 . 17 1 1 A 39 39 TRP C C 37 175.000 177.279 -2.279 1
1 332 . 17 1 1 A 39 39 TRP CA C 37 56.000 51.051 4.949 1
1 333 . 17 1 1 A 39 39 TRP CB C 37 31.800 22.628 9.172 1
1 335 . 17 1 1 A 39 39 TRP N N 37 120.800 120.932 -0.132 1
1 337 . 17 1 1 A 40 40 ARG H H 38 9.050 8.202 0.848 1
1 344 . 17 1 1 A 40 40 ARG C C 38 174.900 173.645 1.255 1
1 345 . 17 1 1 A 40 40 ARG CA C 38 54.000 45.449 8.551 1
1 349 . 17 1 1 A 40 40 ARG N N 38 118.200 109.259 8.941 1
1 350 . 17 1 1 A 41 41 VAL H H 39 8.660 6.900 1.760 1
1 351 . 17 1 1 A 41 41 VAL HA H 39 4.040 5.345 -1.305 1
1 359 . 17 1 1 A 41 41 VAL C C 39 178.000 173.825 4.175 1
1 360 . 17 1 1 A 41 41 VAL CA C 39 63.800 54.831 8.969 1
1 361 . 17 1 1 A 41 41 VAL CB C 39 32.400 32.794 -0.394 1
1 364 . 17 1 1 A 41 41 VAL N N 39 122.700 117.117 5.583 1
1 365 . 17 1 1 A 42 42 VAL H H 40 9.090 9.164 -0.074 1
1 366 . 17 1 1 A 42 42 VAL HA H 40 4.740 5.118 -0.378 1
1 374 . 17 1 1 A 42 42 VAL C C 40 174.800 174.435 0.365 1
1 375 . 17 1 1 A 42 42 VAL CA C 40 61.000 55.406 5.594 1
1 376 . 17 1 1 A 42 42 VAL CB C 40 34.100 34.446 -0.346 1
1 379 . 17 1 1 A 42 42 VAL N N 40 119.800 120.650 -0.850 1
1 380 . 17 1 1 A 43 43 HIS H H 41 7.700 9.331 -1.631 1
1 381 . 17 1 1 A 43 43 HIS HA H 41 4.530 4.302 0.228 1
1 384 . 17 1 1 A 43 43 HIS C C 41 173.400 176.822 -3.422 1
1 385 . 17 1 1 A 43 43 HIS CA C 41 57.500 63.225 -5.725 1
1 386 . 17 1 1 A 43 43 HIS CB C 41 32.800 31.759 1.041 1
1 387 . 17 1 1 A 43 43 HIS N N 41 119.700 127.227 -7.527 1
1 388 . 17 1 1 A 44 44 GLY H H 42 7.590 9.049 -1.459 1
1 391 . 17 1 1 A 44 44 GLY C C 42 174.600 175.626 -1.026 1
1 392 . 17 1 1 A 44 44 GLY CA C 42 42.400 62.220 -19.820 1
1 393 . 17 1 1 A 44 44 GLY N N 42 112.000 120.878 -8.878 1
1 394 . 17 1 1 A 45 45 GLU H H 43 8.700 7.660 1.040 1
1 395 . 17 1 1 A 45 45 GLU HA H 43 4.120 4.710 -0.590 1
1 400 . 17 1 1 A 45 45 GLU C C 43 175.200 173.297 1.903 1
1 401 . 17 1 1 A 45 45 GLU CA C 43 56.900 55.811 1.089 1
1 402 . 17 1 1 A 45 45 GLU CB C 43 30.900 32.937 -2.037 1
1 404 . 17 1 1 A 45 45 GLU N N 43 121.700 120.526 1.174 1
1 405 . 17 1 1 A 46 46 ALA H H 44 9.400 8.843 0.557 1
1 409 . 17 1 1 A 46 46 ALA C C 44 175.100 172.517 2.583 1
1 410 . 17 1 1 A 46 46 ALA CA C 44 51.100 43.630 7.470 1
1 412 . 17 1 1 A 46 46 ALA N N 44 127.000 112.302 14.698 1
1 413 . 17 1 1 A 47 47 SER H H 45 8.710 7.797 0.913 1
1 414 . 17 1 1 A 47 47 SER HA H 45 4.730 4.893 -0.163 1
1 417 . 17 1 1 A 47 47 SER C C 45 175.000 175.906 -0.906 1
1 418 . 17 1 1 A 47 47 SER CA C 45 57.900 55.548 2.352 1
1 419 . 17 1 1 A 47 47 SER CB C 45 64.900 29.844 35.056 1
1 420 . 17 1 1 A 47 47 SER N N 45 115.300 117.511 -2.211 1
1 421 . 17 1 1 A 48 48 ARG H H 46 9.520 8.324 1.196 1
1 422 . 17 1 1 A 48 48 ARG HA H 46 3.390 5.038 -1.648 1
1 429 . 17 1 1 A 48 48 ARG C C 46 178.300 176.824 1.476 1
1 430 . 17 1 1 A 48 48 ARG CA C 46 61.000 50.546 10.454 1
1 431 . 17 1 1 A 48 48 ARG CB C 46 30.100 23.212 6.888 1
1 434 . 17 1 1 A 48 48 ARG N N 46 123.400 126.649 -3.249 1
1 435 . 17 1 1 A 49 49 ALA H H 47 8.620 8.552 0.068 1
1 436 . 17 1 1 A 49 49 ALA HA H 47 3.970 4.581 -0.611 1
1 440 . 17 1 1 A 49 49 ALA C C 47 180.500 174.654 5.846 1
1 441 . 17 1 1 A 49 49 ALA CA C 47 55.400 60.288 -4.888 1
1 442 . 17 1 1 A 49 49 ALA CB C 47 18.200 63.797 -45.597 1
1 443 . 17 1 1 A 49 49 ALA N N 47 118.800 114.930 3.870 1
1 444 . 17 1 1 A 50 50 ALA H H 48 8.130 8.784 -0.654 1
1 445 . 17 1 1 A 50 50 ALA HA H 48 4.260 3.573 0.687 1
1 449 . 17 1 1 A 50 50 ALA C C 48 182.500 177.776 4.724 1
1 450 . 17 1 1 A 50 50 ALA CA C 48 54.900 59.510 -4.610 1
1 451 . 17 1 1 A 50 50 ALA CB C 48 19.100 28.912 -9.812 1
1 452 . 17 1 1 A 50 50 ALA N N 48 122.100 126.182 -4.082 1
1 453 . 17 1 1 A 51 51 CYS H H 49 8.530 7.917 0.613 1
1 454 . 17 1 1 A 51 51 CYS HA H 49 4.070 4.054 0.016 1
1 457 . 17 1 1 A 51 51 CYS C C 49 176.800 179.975 -3.175 1
1 458 . 17 1 1 A 51 51 CYS CA C 49 65.000 54.947 10.053 1
1 459 . 17 1 1 A 51 51 CYS CB C 49 27.100 17.993 9.107 1
1 460 . 17 1 1 A 51 51 CYS N N 49 119.000 120.549 -1.549 1
1 461 . 17 1 1 A 52 52 LEU H H 50 8.660 7.971 0.689 1
1 462 . 17 1 1 A 52 52 LEU HA H 50 3.990 4.145 -0.155 1
1 472 . 17 1 1 A 52 52 LEU C C 50 179.800 179.493 0.307 1
1 473 . 17 1 1 A 52 52 LEU CA C 50 58.200 54.958 3.242 1
1 474 . 17 1 1 A 52 52 LEU CB C 50 41.000 18.251 22.749 1
1 478 . 17 1 1 A 52 52 LEU N N 50 121.100 119.504 1.596 1
1 479 . 17 1 1 A 53 53 ASP H H 51 8.020 8.162 -0.142 1
1 480 . 17 1 1 A 53 53 ASP HA H 51 4.370 3.863 0.507 1
1 483 . 17 1 1 A 53 53 ASP C C 51 177.500 177.234 0.266 1
1 484 . 17 1 1 A 53 53 ASP CA C 51 57.500 63.990 -6.490 1
1 485 . 17 1 1 A 53 53 ASP CB C 51 41.500 27.238 14.262 1
1 486 . 17 1 1 A 53 53 ASP N N 51 120.300 116.172 4.128 1
1 487 . 17 1 1 A 54 54 TYR H H 52 7.760 8.704 -0.944 1
1 488 . 17 1 1 A 54 54 TYR HA H 52 3.770 3.908 -0.138 1
1 495 . 17 1 1 A 54 54 TYR C C 52 179.000 177.999 1.001 1
1 496 . 17 1 1 A 54 54 TYR CA C 52 62.300 58.063 4.237 1
1 497 . 17 1 1 A 54 54 TYR CB C 52 37.700 41.589 -3.889 1
1 502 . 17 1 1 A 54 54 TYR N N 52 119.700 121.487 -1.787 1
1 503 . 17 1 1 A 55 55 VAL H H 53 8.250 8.337 -0.087 1
1 504 . 17 1 1 A 55 55 VAL HA H 53 3.580 4.259 -0.679 1
1 512 . 17 1 1 A 55 55 VAL C C 53 177.700 177.724 -0.024 1
1 513 . 17 1 1 A 55 55 VAL CA C 53 66.800 57.408 9.392 1
1 514 . 17 1 1 A 55 55 VAL CB C 53 31.900 40.931 -9.031 1
1 517 . 17 1 1 A 55 55 VAL N N 53 120.200 118.956 1.244 1
1 518 . 17 1 1 A 56 56 GLU H H 54 8.170 8.146 0.024 1
1 519 . 17 1 1 A 56 56 GLU HA H 54 4.010 4.115 -0.105 1
1 524 . 17 1 1 A 56 56 GLU C C 54 178.700 177.759 0.941 1
1 525 . 17 1 1 A 56 56 GLU CA C 54 59.200 61.311 -2.111 1
1 526 . 17 1 1 A 56 56 GLU CB C 54 29.600 38.644 -9.044 1
1 528 . 17 1 1 A 56 56 GLU N N 54 119.600 120.989 -1.389 1
1 529 . 17 1 1 A 57 57 LYS H H 55 7.800 8.079 -0.279 1
1 530 . 17 1 1 A 57 57 LYS HA H 55 4.040 3.571 0.469 1
1 539 . 17 1 1 A 57 57 LYS C C 55 177.900 177.999 -0.099 1
1 540 . 17 1 1 A 57 57 LYS CA C 55 57.900 66.599 -8.699 1
1 541 . 17 1 1 A 57 57 LYS CB C 55 33.300 31.274 2.026 1
1 545 . 17 1 1 A 57 57 LYS N N 55 115.700 119.042 -3.342 1
1 546 . 17 1 1 A 58 58 ASN H H 56 7.570 8.219 -0.649 1
1 547 . 17 1 1 A 58 58 ASN HA H 56 4.490 3.987 0.503 1
1 552 . 17 1 1 A 58 58 ASN C C 56 174.300 178.573 -4.273 1
1 553 . 17 1 1 A 58 58 ASN CA C 56 54.700 58.935 -4.235 1
1 554 . 17 1 1 A 58 58 ASN CB C 56 40.100 29.094 11.006 1
1 555 . 17 1 1 A 58 58 ASN N N 56 115.000 121.294 -6.294 1
1 557 . 17 1 1 A 59 59 TRP H H 57 8.120 8.049 0.071 1
1 562 . 17 1 1 A 59 59 TRP CA C 57 57.800 58.326 -0.526 1
1 563 . 17 1 1 A 59 59 TRP CB C 57 29.800 32.310 -2.510 1
1 564 . 17 1 1 A 59 59 TRP N N 57 121.400 118.758 2.642 1
1 566 . 17 1 1 A 64 64 PRO HA H 62 4.410 4.491 -0.081 1
1 571 . 17 1 1 A 64 64 PRO C C 62 176.200 176.410 -0.210 1
1 572 . 17 1 1 A 64 64 PRO CA C 62 63.300 54.842 8.458 1
1 573 . 17 1 1 A 64 64 PRO CB C 62 32.100 42.229 -10.129 1
1 576 . 17 1 1 A 65 65 LYS H H 63 8.030 8.762 -0.732 1
1 577 . 17 1 1 A 65 65 LYS HA H 63 4.130 4.774 -0.644 1
1 580 . 17 1 1 A 65 65 LYS CA C 63 57.700 52.556 5.144 1
1 581 . 17 1 1 A 65 65 LYS CB C 63 33.600 32.266 1.334 1
1 3 . 18 1 1 A 4 4 MET H H 2 8.430 8.606 -0.176 1
1 7 . 18 1 1 A 4 4 MET C C 2 176.000 173.816 2.184 1
1 8 . 18 1 1 A 4 4 MET CA C 2 55.400 60.658 -5.258 1
1 9 . 18 1 1 A 4 4 MET CB C 2 32.900 61.201 -28.301 1
1 11 . 18 1 1 A 4 4 MET N N 2 120.500 110.772 9.728 1
1 12 . 18 1 1 A 5 5 SER H H 3 8.400 8.291 0.109 1
1 13 . 18 1 1 A 5 5 SER HA H 3 4.500 4.735 -0.235 1
1 16 . 18 1 1 A 5 5 SER C C 3 174.700 173.917 0.783 1
1 17 . 18 1 1 A 5 5 SER CA C 3 58.400 54.672 3.728 1
1 18 . 18 1 1 A 5 5 SER CB C 3 63.800 28.885 34.915 1
1 19 . 18 1 1 A 5 5 SER N N 3 117.300 120.474 -3.174 1
1 20 . 18 1 1 A 6 6 THR H H 4 8.210 8.790 -0.580 1
1 21 . 18 1 1 A 6 6 THR HA H 4 4.330 4.936 -0.606 1
1 26 . 18 1 1 A 6 6 THR C C 4 174.000 175.458 -1.458 1
1 27 . 18 1 1 A 6 6 THR CA C 4 61.900 54.057 7.843 1
1 28 . 18 1 1 A 6 6 THR CB C 4 69.900 32.927 36.973 1
1 30 . 18 1 1 A 6 6 THR N N 4 115.400 125.777 -10.377 1
1 31 . 18 1 1 A 7 7 ASN H H 5 8.440 8.747 -0.307 1
1 32 . 18 1 1 A 7 7 ASN HA H 5 4.950 4.605 0.345 1
1 37 . 18 1 1 A 7 7 ASN CA C 5 50.900 59.311 -8.411 1
1 38 . 18 1 1 A 7 7 ASN CB C 5 39.000 63.044 -24.044 1
1 39 . 18 1 1 A 7 7 ASN N N 5 121.600 122.122 -0.522 1
1 41 . 18 1 1 A 8 8 PRO HA H 6 4.310 4.277 0.033 1
1 48 . 18 1 1 A 8 8 PRO C C 6 177.100 173.900 3.200 1
1 49 . 18 1 1 A 8 8 PRO CA C 6 64.000 62.448 1.552 1
1 50 . 18 1 1 A 8 8 PRO CB C 6 32.100 69.646 -37.546 1
1 53 . 18 1 1 A 9 9 PHE H H 7 8.020 8.463 -0.443 1
1 54 . 18 1 1 A 9 9 PHE HA H 7 4.480 5.182 -0.702 1
1 59 . 18 1 1 A 9 9 PHE CA C 7 58.300 49.512 8.788 1
1 60 . 18 1 1 A 9 9 PHE CB C 7 38.800 39.608 -0.808 1
1 63 . 18 1 1 A 9 9 PHE N N 7 117.200 123.803 -6.603 1
1 64 . 18 1 1 A 12 12 ASP C C 10 176.700 175.567 1.133 1
1 65 . 18 1 1 A 12 12 ASP CA C 10 54.800 53.691 1.109 1
1 66 . 18 1 1 A 12 12 ASP CB C 10 41.000 42.007 -1.007 1
1 67 . 18 1 1 A 13 13 ASN H H 11 8.490 8.806 -0.316 1
1 70 . 18 1 1 A 13 13 ASN C C 11 175.700 174.583 1.117 1
1 71 . 18 1 1 A 13 13 ASN CA C 11 53.400 52.801 0.599 1
1 72 . 18 1 1 A 13 13 ASN CB C 11 39.200 41.819 -2.619 1
1 73 . 18 1 1 A 13 13 ASN N N 11 118.500 122.226 -3.726 1
1 75 . 18 1 1 A 14 14 GLY H H 12 8.200 8.848 -0.648 1
1 78 . 18 1 1 A 14 14 GLY C C 12 172.200 175.962 -3.762 1
1 79 . 18 1 1 A 14 14 GLY CA C 12 45.200 53.786 -8.586 1
1 80 . 18 1 1 A 14 14 GLY N N 12 108.500 126.148 -17.648 1
1 81 . 18 1 1 A 15 15 ALA H H 13 7.670 8.812 -1.142 1
1 82 . 18 1 1 A 15 15 ALA HA H 13 4.600 5.615 -1.015 1
1 86 . 18 1 1 A 15 15 ALA C C 13 176.500 174.087 2.413 1
1 87 . 18 1 1 A 15 15 ALA CA C 13 51.400 51.350 0.050 1
1 88 . 18 1 1 A 15 15 ALA CB C 13 21.000 42.178 -21.178 1
1 89 . 18 1 1 A 15 15 ALA N N 13 122.600 116.711 5.889 1
1 90 . 18 1 1 A 16 16 PHE H H 14 9.350 8.376 0.974 1
1 98 . 18 1 1 A 16 16 PHE C C 14 174.300 171.819 2.481 1
1 99 . 18 1 1 A 16 16 PHE CA C 14 57.600 45.348 12.252 1
1 105 . 18 1 1 A 16 16 PHE N N 14 120.000 105.932 14.068 1
1 106 . 18 1 1 A 17 17 PHE H H 15 9.550 8.547 1.003 1
1 107 . 18 1 1 A 17 17 PHE HA H 15 5.600 4.299 1.301 1
1 112 . 18 1 1 A 17 17 PHE C C 15 177.700 177.270 0.430 1
1 113 . 18 1 1 A 17 17 PHE CA C 15 55.900 51.515 4.385 1
1 114 . 18 1 1 A 17 17 PHE CB C 15 44.100 19.544 24.556 1
1 117 . 18 1 1 A 17 17 PHE N N 15 115.700 123.038 -7.338 1
1 118 . 18 1 1 A 18 18 VAL H H 16 8.670 8.069 0.601 1
1 119 . 18 1 1 A 18 18 VAL HA H 16 4.220 5.762 -1.542 1
1 127 . 18 1 1 A 18 18 VAL C C 16 175.200 173.085 2.115 1
1 128 . 18 1 1 A 18 18 VAL CA C 16 62.700 55.366 7.334 1
1 129 . 18 1 1 A 18 18 VAL CB C 16 32.700 42.849 -10.149 1
1 132 . 18 1 1 A 18 18 VAL N N 16 117.200 116.533 0.667 1
1 133 . 18 1 1 A 19 19 LEU H H 17 9.500 9.722 -0.222 1
1 134 . 18 1 1 A 19 19 LEU HA H 17 5.730 5.221 0.509 1
1 144 . 18 1 1 A 19 19 LEU C C 17 176.700 175.327 1.373 1
1 145 . 18 1 1 A 19 19 LEU CA C 17 52.100 56.630 -4.530 1
1 146 . 18 1 1 A 19 19 LEU CB C 17 46.800 42.434 4.366 1
1 150 . 18 1 1 A 19 19 LEU N N 17 127.100 118.691 8.409 1
1 151 . 18 1 1 A 20 20 VAL H H 18 9.170 8.914 0.256 1
1 152 . 18 1 1 A 20 20 VAL HA H 18 5.710 4.504 1.206 1
1 160 . 18 1 1 A 20 20 VAL C C 18 174.800 174.770 0.030 1
1 161 . 18 1 1 A 20 20 VAL CA C 18 59.300 62.638 -3.338 1
1 162 . 18 1 1 A 20 20 VAL CB C 18 36.700 30.974 5.726 1
1 165 . 18 1 1 A 20 20 VAL N N 18 115.900 121.791 -5.891 1
1 166 . 18 1 1 A 21 21 ASN H H 19 7.320 9.241 -1.921 1
1 167 . 18 1 1 A 21 21 ASN HA H 19 4.720 5.325 -0.605 1
1 170 . 18 1 1 A 21 21 ASN C C 19 177.700 174.946 2.754 1
1 171 . 18 1 1 A 21 21 ASN CA C 19 49.700 53.441 -3.741 1
1 172 . 18 1 1 A 21 21 ASN CB C 19 37.500 45.124 -7.624 1
1 173 . 18 1 1 A 21 21 ASN N N 19 122.600 130.026 -7.426 1
1 174 . 18 1 1 A 22 22 ASP H H 20 8.240 9.079 -0.839 1
1 175 . 18 1 1 A 22 22 ASP HA H 20 4.400 5.003 -0.603 1
1 178 . 18 1 1 A 22 22 ASP C C 20 176.600 174.983 1.617 1
1 179 . 18 1 1 A 22 22 ASP CA C 20 56.400 60.892 -4.492 1
1 180 . 18 1 1 A 22 22 ASP CB C 20 40.100 34.950 5.150 1
1 181 . 18 1 1 A 22 22 ASP N N 20 117.500 126.707 -9.207 1
1 182 . 18 1 1 A 23 23 GLU H H 21 7.220 9.034 -1.814 1
1 183 . 18 1 1 A 23 23 GLU HA H 21 4.380 5.130 -0.750 1
1 188 . 18 1 1 A 23 23 GLU C C 21 175.500 175.929 -0.429 1
1 189 . 18 1 1 A 23 23 GLU CA C 21 55.600 51.549 4.051 1
1 190 . 18 1 1 A 23 23 GLU CB C 21 29.500 41.462 -11.962 1
1 192 . 18 1 1 A 23 23 GLU N N 21 118.100 124.625 -6.525 1
1 193 . 18 1 1 A 24 24 ASP H H 22 8.030 8.567 -0.537 1
1 194 . 18 1 1 A 24 24 ASP HA H 22 4.280 4.433 -0.153 1
1 197 . 18 1 1 A 24 24 ASP CA C 22 56.200 57.010 -0.810 1
1 198 . 18 1 1 A 24 24 ASP CB C 22 40.000 39.751 0.249 1
1 199 . 18 1 1 A 24 24 ASP N N 22 115.700 120.789 -5.089 1
1 200 . 18 1 1 A 25 25 GLN H H 23 7.710 7.781 -0.071 1
1 201 . 18 1 1 A 25 25 GLN HA H 23 4.270 4.481 -0.211 1
1 206 . 18 1 1 A 25 25 GLN C C 23 175.300 175.688 -0.388 1
1 207 . 18 1 1 A 25 25 GLN CA C 23 55.200 55.798 -0.598 1
1 208 . 18 1 1 A 25 25 GLN CB C 23 29.400 30.594 -1.194 1
1 209 . 18 1 1 A 25 25 GLN N N 23 116.800 116.042 0.758 1
1 210 . 18 1 1 A 26 26 HIS H H 24 8.870 7.542 1.328 1
1 211 . 18 1 1 A 26 26 HIS HA H 24 6.030 4.792 1.238 1
1 214 . 18 1 1 A 26 26 HIS CA C 24 54.400 53.474 0.926 1
1 215 . 18 1 1 A 26 26 HIS CB C 24 32.700 40.429 -7.729 1
1 216 . 18 1 1 A 26 26 HIS N N 24 113.400 121.254 -7.854 1
1 219 . 18 1 1 A 27 27 SER CB C 25 66.800 29.692 37.108 1
1 220 . 18 1 1 A 28 28 LEU HA H 26 5.430 4.974 0.456 1
1 230 . 18 1 1 A 28 28 LEU CA C 26 56.100 54.703 1.397 1
1 231 . 18 1 1 A 28 28 LEU CB C 26 43.600 31.726 11.874 1
1 235 . 18 1 1 A 29 29 TRP HA H 27 5.320 4.993 0.327 1
1 242 . 18 1 1 A 29 29 TRP CA C 27 54.100 57.514 -3.414 1
1 243 . 18 1 1 A 29 29 TRP CB C 27 36.000 66.382 -30.382 1
1 248 . 18 1 1 A 30 30 PRO C C 28 177.500 175.297 2.203 1
1 249 . 18 1 1 A 30 30 PRO CA C 28 62.400 54.145 8.255 1
1 250 . 18 1 1 A 30 30 PRO CB C 28 31.700 41.670 -9.970 1
1 253 . 18 1 1 A 31 31 VAL H H 29 7.000 8.918 -1.918 1
1 254 . 18 1 1 A 31 31 VAL HA H 29 3.710 5.296 -1.586 1
1 262 . 18 1 1 A 31 31 VAL CA C 29 63.600 55.183 8.417 1
1 263 . 18 1 1 A 31 31 VAL CB C 29 31.200 32.224 -1.024 1
1 266 . 18 1 1 A 31 31 VAL N N 29 114.100 128.014 -13.914 1
1 270 . 18 1 1 A 33 33 ALA C C 31 177.500 176.982 0.518 1
1 271 . 18 1 1 A 33 33 ALA CA C 31 50.900 64.663 -13.763 1
1 272 . 18 1 1 A 33 33 ALA CB C 31 20.200 31.044 -10.844 1
1 273 . 18 1 1 A 34 34 ASP H H 32 8.830 7.352 1.478 1
1 274 . 18 1 1 A 34 34 ASP HA H 32 4.500 4.447 0.053 1
1 277 . 18 1 1 A 34 34 ASP C C 32 176.900 174.949 1.951 1
1 278 . 18 1 1 A 34 34 ASP CA C 32 55.200 58.375 -3.175 1
1 279 . 18 1 1 A 34 34 ASP CB C 32 40.400 39.195 1.205 1
1 280 . 18 1 1 A 34 34 ASP N N 32 124.600 118.231 6.369 1
1 281 . 18 1 1 A 35 35 ILE H H 33 8.590 7.311 1.279 1
1 282 . 18 1 1 A 35 35 ILE HA H 33 3.610 4.475 -0.865 1
1 292 . 18 1 1 A 35 35 ILE C C 33 176.100 176.481 -0.381 1
1 293 . 18 1 1 A 35 35 ILE CA C 33 58.600 50.394 8.206 1
1 294 . 18 1 1 A 35 35 ILE CB C 33 37.600 20.120 17.480 1
1 298 . 18 1 1 A 35 35 ILE N N 33 125.200 121.754 3.446 1
1 299 . 18 1 1 A 36 36 PRO HA H 34 4.290 4.680 -0.390 1
1 306 . 18 1 1 A 36 36 PRO C C 34 179.400 176.146 3.254 1
1 307 . 18 1 1 A 36 36 PRO CA C 34 62.600 55.126 7.474 1
1 308 . 18 1 1 A 36 36 PRO CB C 34 31.600 41.256 -9.656 1
1 311 . 18 1 1 A 37 37 ALA H H 35 8.300 8.552 -0.252 1
1 312 . 18 1 1 A 37 37 ALA HA H 35 4.190 4.456 -0.266 1
1 316 . 18 1 1 A 37 37 ALA CA C 35 53.600 57.530 -3.930 1
1 317 . 18 1 1 A 37 37 ALA CB C 35 18.400 37.678 -19.278 1
1 318 . 18 1 1 A 37 37 ALA N N 35 123.600 125.707 -2.107 1
1 322 . 18 1 1 A 38 38 GLY C C 36 174.000 175.352 -1.352 1
1 323 . 18 1 1 A 38 38 GLY CA C 36 45.000 62.290 -17.290 1
1 324 . 18 1 1 A 38 38 GLY N N 36 110.200 142.249 -32.049 1
1 325 . 18 1 1 A 39 39 TRP H H 37 7.700 8.452 -0.752 1
1 326 . 18 1 1 A 39 39 TRP HA H 37 4.900 5.111 -0.211 1
1 331 . 18 1 1 A 39 39 TRP C C 37 175.000 177.355 -2.355 1
1 332 . 18 1 1 A 39 39 TRP CA C 37 56.000 51.047 4.953 1
1 333 . 18 1 1 A 39 39 TRP CB C 37 31.800 22.928 8.872 1
1 335 . 18 1 1 A 39 39 TRP N N 37 120.800 120.682 0.118 1
1 337 . 18 1 1 A 40 40 ARG H H 38 9.050 8.271 0.779 1
1 344 . 18 1 1 A 40 40 ARG C C 38 174.900 173.849 1.051 1
1 345 . 18 1 1 A 40 40 ARG CA C 38 54.000 45.371 8.629 1
1 349 . 18 1 1 A 40 40 ARG N N 38 118.200 109.913 8.287 1
1 350 . 18 1 1 A 41 41 VAL H H 39 8.660 7.017 1.643 1
1 351 . 18 1 1 A 41 41 VAL HA H 39 4.040 5.406 -1.366 1
1 359 . 18 1 1 A 41 41 VAL C C 39 178.000 174.026 3.974 1
1 360 . 18 1 1 A 41 41 VAL CA C 39 63.800 54.750 9.050 1
1 361 . 18 1 1 A 41 41 VAL CB C 39 32.400 32.868 -0.468 1
1 364 . 18 1 1 A 41 41 VAL N N 39 122.700 117.505 5.195 1
1 365 . 18 1 1 A 42 42 VAL H H 40 9.090 9.301 -0.211 1
1 366 . 18 1 1 A 42 42 VAL HA H 40 4.740 5.003 -0.263 1
1 374 . 18 1 1 A 42 42 VAL C C 40 174.800 174.296 0.504 1
1 375 . 18 1 1 A 42 42 VAL CA C 40 61.000 55.217 5.783 1
1 376 . 18 1 1 A 42 42 VAL CB C 40 34.100 34.134 -0.034 1
1 379 . 18 1 1 A 42 42 VAL N N 40 119.800 120.714 -0.914 1
1 380 . 18 1 1 A 43 43 HIS H H 41 7.700 9.220 -1.520 1
1 381 . 18 1 1 A 43 43 HIS HA H 41 4.530 4.245 0.285 1
1 384 . 18 1 1 A 43 43 HIS C C 41 173.400 175.497 -2.097 1
1 385 . 18 1 1 A 43 43 HIS CA C 41 57.500 63.226 -5.726 1
1 386 . 18 1 1 A 43 43 HIS CB C 41 32.800 31.307 1.493 1
1 387 . 18 1 1 A 43 43 HIS N N 41 119.700 127.588 -7.888 1
1 388 . 18 1 1 A 44 44 GLY H H 42 7.590 8.905 -1.315 1
1 391 . 18 1 1 A 44 44 GLY C C 42 174.600 176.216 -1.616 1
1 392 . 18 1 1 A 44 44 GLY CA C 42 42.400 64.202 -21.802 1
1 393 . 18 1 1 A 44 44 GLY N N 42 112.000 129.334 -17.334 1
1 394 . 18 1 1 A 45 45 GLU H H 43 8.700 6.920 1.780 1
1 395 . 18 1 1 A 45 45 GLU HA H 43 4.120 5.017 -0.897 1
1 400 . 18 1 1 A 45 45 GLU C C 43 175.200 175.179 0.021 1
1 401 . 18 1 1 A 45 45 GLU CA C 43 56.900 54.505 2.395 1
1 402 . 18 1 1 A 45 45 GLU CB C 43 30.900 33.156 -2.256 1
1 404 . 18 1 1 A 45 45 GLU N N 43 121.700 116.543 5.157 1
1 405 . 18 1 1 A 46 46 ALA H H 44 9.400 8.570 0.830 1
1 409 . 18 1 1 A 46 46 ALA C C 44 175.100 173.016 2.084 1
1 410 . 18 1 1 A 46 46 ALA CA C 44 51.100 43.998 7.102 1
1 412 . 18 1 1 A 46 46 ALA N N 44 127.000 108.775 18.225 1
1 413 . 18 1 1 A 47 47 SER H H 45 8.710 8.352 0.358 1
1 414 . 18 1 1 A 47 47 SER HA H 45 4.730 5.152 -0.422 1
1 417 . 18 1 1 A 47 47 SER C C 45 175.000 176.281 -1.281 1
1 418 . 18 1 1 A 47 47 SER CA C 45 57.900 56.047 1.853 1
1 419 . 18 1 1 A 47 47 SER CB C 45 64.900 29.465 35.435 1
1 420 . 18 1 1 A 47 47 SER N N 45 115.300 117.799 -2.499 1
1 421 . 18 1 1 A 48 48 ARG H H 46 9.520 8.320 1.200 1
1 422 . 18 1 1 A 48 48 ARG HA H 46 3.390 4.932 -1.542 1
1 429 . 18 1 1 A 48 48 ARG C C 46 178.300 177.204 1.096 1
1 430 . 18 1 1 A 48 48 ARG CA C 46 61.000 50.075 10.925 1
1 431 . 18 1 1 A 48 48 ARG CB C 46 30.100 22.753 7.347 1
1 434 . 18 1 1 A 48 48 ARG N N 46 123.400 127.975 -4.575 1
1 435 . 18 1 1 A 49 49 ALA H H 47 8.620 8.466 0.154 1
1 436 . 18 1 1 A 49 49 ALA HA H 47 3.970 4.522 -0.552 1
1 440 . 18 1 1 A 49 49 ALA C C 47 180.500 174.908 5.592 1
1 441 . 18 1 1 A 49 49 ALA CA C 47 55.400 60.252 -4.852 1
1 442 . 18 1 1 A 49 49 ALA CB C 47 18.200 63.789 -45.589 1
1 443 . 18 1 1 A 49 49 ALA N N 47 118.800 115.258 3.542 1
1 444 . 18 1 1 A 50 50 ALA H H 48 8.130 8.940 -0.810 1
1 445 . 18 1 1 A 50 50 ALA HA H 48 4.260 3.452 0.808 1
1 449 . 18 1 1 A 50 50 ALA C C 48 182.500 177.976 4.524 1
1 450 . 18 1 1 A 50 50 ALA CA C 48 54.900 59.824 -4.924 1
1 451 . 18 1 1 A 50 50 ALA CB C 48 19.100 29.455 -10.355 1
1 452 . 18 1 1 A 50 50 ALA N N 48 122.100 125.908 -3.808 1
1 453 . 18 1 1 A 51 51 CYS H H 49 8.530 8.108 0.422 1
1 454 . 18 1 1 A 51 51 CYS HA H 49 4.070 4.091 -0.021 1
1 457 . 18 1 1 A 51 51 CYS C C 49 176.800 180.026 -3.226 1
1 458 . 18 1 1 A 51 51 CYS CA C 49 65.000 55.042 9.958 1
1 459 . 18 1 1 A 51 51 CYS CB C 49 27.100 17.844 9.256 1
1 460 . 18 1 1 A 51 51 CYS N N 49 119.000 120.708 -1.708 1
1 461 . 18 1 1 A 52 52 LEU H H 50 8.660 8.280 0.380 1
1 462 . 18 1 1 A 52 52 LEU HA H 50 3.990 4.020 -0.030 1
1 472 . 18 1 1 A 52 52 LEU C C 50 179.800 179.435 0.365 1
1 473 . 18 1 1 A 52 52 LEU CA C 50 58.200 55.065 3.135 1
1 474 . 18 1 1 A 52 52 LEU CB C 50 41.000 18.037 22.963 1
1 478 . 18 1 1 A 52 52 LEU N N 50 121.100 119.517 1.583 1
1 479 . 18 1 1 A 53 53 ASP H H 51 8.020 8.182 -0.162 1
1 480 . 18 1 1 A 53 53 ASP HA H 51 4.370 4.044 0.326 1
1 483 . 18 1 1 A 53 53 ASP C C 51 177.500 177.136 0.364 1
1 484 . 18 1 1 A 53 53 ASP CA C 51 57.500 64.078 -6.578 1
1 485 . 18 1 1 A 53 53 ASP CB C 51 41.500 27.278 14.222 1
1 486 . 18 1 1 A 53 53 ASP N N 51 120.300 116.125 4.175 1
1 487 . 18 1 1 A 54 54 TYR H H 52 7.760 8.297 -0.537 1
1 488 . 18 1 1 A 54 54 TYR HA H 52 3.770 3.843 -0.073 1
1 495 . 18 1 1 A 54 54 TYR C C 52 179.000 178.456 0.544 1
1 496 . 18 1 1 A 54 54 TYR CA C 52 62.300 58.103 4.197 1
1 497 . 18 1 1 A 54 54 TYR CB C 52 37.700 41.629 -3.929 1
1 502 . 18 1 1 A 54 54 TYR N N 52 119.700 120.288 -0.588 1
1 503 . 18 1 1 A 55 55 VAL H H 53 8.250 8.391 -0.141 1
1 504 . 18 1 1 A 55 55 VAL HA H 53 3.580 4.246 -0.666 1
1 512 . 18 1 1 A 55 55 VAL C C 53 177.700 177.697 0.003 1
1 513 . 18 1 1 A 55 55 VAL CA C 53 66.800 57.214 9.586 1
1 514 . 18 1 1 A 55 55 VAL CB C 53 31.900 41.649 -9.749 1
1 517 . 18 1 1 A 55 55 VAL N N 53 120.200 118.949 1.251 1
1 518 . 18 1 1 A 56 56 GLU H H 54 8.170 8.240 -0.070 1
1 519 . 18 1 1 A 56 56 GLU HA H 54 4.010 4.154 -0.144 1
1 524 . 18 1 1 A 56 56 GLU C C 54 178.700 177.756 0.944 1
1 525 . 18 1 1 A 56 56 GLU CA C 54 59.200 61.339 -2.139 1
1 526 . 18 1 1 A 56 56 GLU CB C 54 29.600 38.646 -9.046 1
1 528 . 18 1 1 A 56 56 GLU N N 54 119.600 120.635 -1.035 1
1 529 . 18 1 1 A 57 57 LYS H H 55 7.800 8.517 -0.717 1
1 530 . 18 1 1 A 57 57 LYS HA H 55 4.040 3.725 0.315 1
1 539 . 18 1 1 A 57 57 LYS C C 55 177.900 177.785 0.115 1
1 540 . 18 1 1 A 57 57 LYS CA C 55 57.900 66.826 -8.926 1
1 541 . 18 1 1 A 57 57 LYS CB C 55 33.300 31.408 1.892 1
1 545 . 18 1 1 A 57 57 LYS N N 55 115.700 119.124 -3.424 1
1 546 . 18 1 1 A 58 58 ASN H H 56 7.570 8.205 -0.635 1
1 547 . 18 1 1 A 58 58 ASN HA H 56 4.490 3.793 0.697 1
1 552 . 18 1 1 A 58 58 ASN C C 56 174.300 179.279 -4.979 1
1 553 . 18 1 1 A 58 58 ASN CA C 56 54.700 59.358 -4.658 1
1 554 . 18 1 1 A 58 58 ASN CB C 56 40.100 29.536 10.564 1
1 555 . 18 1 1 A 58 58 ASN N N 56 115.000 121.431 -6.431 1
1 557 . 18 1 1 A 59 59 TRP H H 57 8.120 8.094 0.026 1
1 562 . 18 1 1 A 59 59 TRP CA C 57 57.800 58.683 -0.883 1
1 563 . 18 1 1 A 59 59 TRP CB C 57 29.800 32.093 -2.293 1
1 564 . 18 1 1 A 59 59 TRP N N 57 121.400 119.552 1.848 1
1 566 . 18 1 1 A 64 64 PRO HA H 62 4.410 4.735 -0.325 1
1 571 . 18 1 1 A 64 64 PRO C C 62 176.200 175.994 0.206 1
1 572 . 18 1 1 A 64 64 PRO CA C 62 63.300 54.006 9.294 1
1 573 . 18 1 1 A 64 64 PRO CB C 62 32.100 43.028 -10.928 1
1 576 . 18 1 1 A 65 65 LYS H H 63 8.030 7.536 0.494 1
1 577 . 18 1 1 A 65 65 LYS HA H 63 4.130 4.576 -0.446 1
1 580 . 18 1 1 A 65 65 LYS CA C 63 57.700 53.905 3.795 1
1 581 . 18 1 1 A 65 65 LYS CB C 63 33.600 31.346 2.254 1
1 3 . 19 1 1 A 4 4 MET H H 2 8.430 8.258 0.172 1
1 7 . 19 1 1 A 4 4 MET C C 2 176.000 173.959 2.041 1
1 8 . 19 1 1 A 4 4 MET CA C 2 55.400 59.219 -3.819 1
1 9 . 19 1 1 A 4 4 MET CB C 2 32.900 63.947 -31.047 1
1 11 . 19 1 1 A 4 4 MET N N 2 120.500 116.650 3.850 1
1 12 . 19 1 1 A 5 5 SER H H 3 8.400 8.884 -0.484 1
1 13 . 19 1 1 A 5 5 SER HA H 3 4.500 4.670 -0.170 1
1 16 . 19 1 1 A 5 5 SER C C 3 174.700 173.480 1.220 1
1 17 . 19 1 1 A 5 5 SER CA C 3 58.400 54.657 3.743 1
1 18 . 19 1 1 A 5 5 SER CB C 3 63.800 29.099 34.701 1
1 19 . 19 1 1 A 5 5 SER N N 3 117.300 125.656 -8.356 1
1 20 . 19 1 1 A 6 6 THR H H 4 8.210 8.476 -0.266 1
1 21 . 19 1 1 A 6 6 THR HA H 4 4.330 4.752 -0.422 1
1 26 . 19 1 1 A 6 6 THR C C 4 174.000 175.170 -1.170 1
1 27 . 19 1 1 A 6 6 THR CA C 4 61.900 54.507 7.393 1
1 28 . 19 1 1 A 6 6 THR CB C 4 69.900 33.953 35.947 1
1 30 . 19 1 1 A 6 6 THR N N 4 115.400 127.035 -11.635 1
1 31 . 19 1 1 A 7 7 ASN H H 5 8.440 8.049 0.391 1
1 32 . 19 1 1 A 7 7 ASN HA H 5 4.950 4.393 0.557 1
1 37 . 19 1 1 A 7 7 ASN CA C 5 50.900 59.184 -8.284 1
1 38 . 19 1 1 A 7 7 ASN CB C 5 39.000 62.586 -23.586 1
1 39 . 19 1 1 A 7 7 ASN N N 5 121.600 121.630 -0.030 1
1 41 . 19 1 1 A 8 8 PRO HA H 6 4.310 4.962 -0.652 1
1 48 . 19 1 1 A 8 8 PRO C C 6 177.100 171.349 5.751 1
1 49 . 19 1 1 A 8 8 PRO CA C 6 64.000 60.438 3.562 1
1 50 . 19 1 1 A 8 8 PRO CB C 6 32.100 71.708 -39.608 1
1 53 . 19 1 1 A 9 9 PHE H H 7 8.020 8.641 -0.621 1
1 54 . 19 1 1 A 9 9 PHE HA H 7 4.480 5.049 -0.569 1
1 59 . 19 1 1 A 9 9 PHE CA C 7 58.300 49.336 8.964 1
1 60 . 19 1 1 A 9 9 PHE CB C 7 38.800 39.586 -0.786 1
1 63 . 19 1 1 A 9 9 PHE N N 7 117.200 121.955 -4.755 1
1 64 . 19 1 1 A 12 12 ASP C C 10 176.700 174.505 2.195 1
1 65 . 19 1 1 A 12 12 ASP CA C 10 54.800 52.639 2.161 1
1 66 . 19 1 1 A 12 12 ASP CB C 10 41.000 44.462 -3.462 1
1 67 . 19 1 1 A 13 13 ASN H H 11 8.490 8.608 -0.118 1
1 70 . 19 1 1 A 13 13 ASN C C 11 175.700 175.057 0.643 1
1 71 . 19 1 1 A 13 13 ASN CA C 11 53.400 54.023 -0.623 1
1 72 . 19 1 1 A 13 13 ASN CB C 11 39.200 40.514 -1.314 1
1 73 . 19 1 1 A 13 13 ASN N N 11 118.500 125.517 -7.017 1
1 75 . 19 1 1 A 14 14 GLY H H 12 8.200 8.437 -0.237 1
1 78 . 19 1 1 A 14 14 GLY C C 12 172.200 175.805 -3.605 1
1 79 . 19 1 1 A 14 14 GLY CA C 12 45.200 53.287 -8.087 1
1 80 . 19 1 1 A 14 14 GLY N N 12 108.500 126.177 -17.677 1
1 81 . 19 1 1 A 15 15 ALA H H 13 7.670 8.650 -0.980 1
1 82 . 19 1 1 A 15 15 ALA HA H 13 4.600 4.806 -0.206 1
1 86 . 19 1 1 A 15 15 ALA C C 13 176.500 174.811 1.689 1
1 87 . 19 1 1 A 15 15 ALA CA C 13 51.400 53.245 -1.845 1
1 88 . 19 1 1 A 15 15 ALA CB C 13 21.000 37.554 -16.554 1
1 89 . 19 1 1 A 15 15 ALA N N 13 122.600 119.491 3.109 1
1 90 . 19 1 1 A 16 16 PHE H H 14 9.350 8.538 0.812 1
1 98 . 19 1 1 A 16 16 PHE C C 14 174.300 173.276 1.024 1
1 99 . 19 1 1 A 16 16 PHE CA C 14 57.600 45.405 12.195 1
1 105 . 19 1 1 A 16 16 PHE N N 14 120.000 111.452 8.548 1
1 106 . 19 1 1 A 17 17 PHE H H 15 9.550 8.181 1.369 1
1 107 . 19 1 1 A 17 17 PHE HA H 15 5.600 3.814 1.786 1
1 112 . 19 1 1 A 17 17 PHE C C 15 177.700 177.170 0.530 1
1 113 . 19 1 1 A 17 17 PHE CA C 15 55.900 51.955 3.945 1
1 114 . 19 1 1 A 17 17 PHE CB C 15 44.100 19.477 24.623 1
1 117 . 19 1 1 A 17 17 PHE N N 15 115.700 124.892 -9.192 1
1 118 . 19 1 1 A 18 18 VAL H H 16 8.670 7.969 0.701 1
1 119 . 19 1 1 A 18 18 VAL HA H 16 4.220 5.674 -1.454 1
1 127 . 19 1 1 A 18 18 VAL C C 16 175.200 173.090 2.110 1
1 128 . 19 1 1 A 18 18 VAL CA C 16 62.700 55.746 6.954 1
1 129 . 19 1 1 A 18 18 VAL CB C 16 32.700 42.785 -10.085 1
1 132 . 19 1 1 A 18 18 VAL N N 16 117.200 116.210 0.990 1
1 133 . 19 1 1 A 19 19 LEU H H 17 9.500 9.825 -0.325 1
1 134 . 19 1 1 A 19 19 LEU HA H 17 5.730 5.594 0.136 1
1 144 . 19 1 1 A 19 19 LEU C C 17 176.700 175.684 1.016 1
1 145 . 19 1 1 A 19 19 LEU CA C 17 52.100 56.745 -4.645 1
1 146 . 19 1 1 A 19 19 LEU CB C 17 46.800 42.254 4.546 1
1 150 . 19 1 1 A 19 19 LEU N N 17 127.100 118.696 8.404 1
1 151 . 19 1 1 A 20 20 VAL H H 18 9.170 8.867 0.303 1
1 152 . 19 1 1 A 20 20 VAL HA H 18 5.710 4.441 1.269 1
1 160 . 19 1 1 A 20 20 VAL C C 18 174.800 174.906 -0.106 1
1 161 . 19 1 1 A 20 20 VAL CA C 18 59.300 63.003 -3.703 1
1 162 . 19 1 1 A 20 20 VAL CB C 18 36.700 31.134 5.566 1
1 165 . 19 1 1 A 20 20 VAL N N 18 115.900 122.366 -6.466 1
1 166 . 19 1 1 A 21 21 ASN H H 19 7.320 9.209 -1.889 1
1 167 . 19 1 1 A 21 21 ASN HA H 19 4.720 5.362 -0.642 1
1 170 . 19 1 1 A 21 21 ASN C C 19 177.700 175.017 2.683 1
1 171 . 19 1 1 A 21 21 ASN CA C 19 49.700 53.651 -3.951 1
1 172 . 19 1 1 A 21 21 ASN CB C 19 37.500 44.933 -7.433 1
1 173 . 19 1 1 A 21 21 ASN N N 19 122.600 130.148 -7.548 1
1 174 . 19 1 1 A 22 22 ASP H H 20 8.240 9.316 -1.076 1
1 175 . 19 1 1 A 22 22 ASP HA H 20 4.400 4.817 -0.417 1
1 178 . 19 1 1 A 22 22 ASP C C 20 176.600 174.329 2.271 1
1 179 . 19 1 1 A 22 22 ASP CA C 20 56.400 61.044 -4.644 1
1 180 . 19 1 1 A 22 22 ASP CB C 20 40.100 34.315 5.785 1
1 181 . 19 1 1 A 22 22 ASP N N 20 117.500 127.627 -10.127 1
1 182 . 19 1 1 A 23 23 GLU H H 21 7.220 8.832 -1.612 1
1 183 . 19 1 1 A 23 23 GLU HA H 21 4.380 5.184 -0.804 1
1 188 . 19 1 1 A 23 23 GLU C C 21 175.500 175.455 0.045 1
1 189 . 19 1 1 A 23 23 GLU CA C 21 55.600 52.399 3.201 1
1 190 . 19 1 1 A 23 23 GLU CB C 21 29.500 40.724 -11.224 1
1 192 . 19 1 1 A 23 23 GLU N N 21 118.100 126.016 -7.916 1
1 193 . 19 1 1 A 24 24 ASP H H 22 8.030 8.828 -0.798 1
1 194 . 19 1 1 A 24 24 ASP HA H 22 4.280 4.257 0.023 1
1 197 . 19 1 1 A 24 24 ASP CA C 22 56.200 57.728 -1.528 1
1 198 . 19 1 1 A 24 24 ASP CB C 22 40.000 40.658 -0.658 1
1 199 . 19 1 1 A 24 24 ASP N N 22 115.700 126.698 -10.998 1
1 200 . 19 1 1 A 25 25 GLN H H 23 7.710 7.724 -0.014 1
1 201 . 19 1 1 A 25 25 GLN HA H 23 4.270 4.414 -0.144 1
1 206 . 19 1 1 A 25 25 GLN C C 23 175.300 174.796 0.504 1
1 207 . 19 1 1 A 25 25 GLN CA C 23 55.200 55.816 -0.616 1
1 208 . 19 1 1 A 25 25 GLN CB C 23 29.400 30.041 -0.641 1
1 209 . 19 1 1 A 25 25 GLN N N 23 116.800 115.560 1.240 1
1 210 . 19 1 1 A 26 26 HIS H H 24 8.870 7.593 1.277 1
1 211 . 19 1 1 A 26 26 HIS HA H 24 6.030 4.932 1.098 1
1 214 . 19 1 1 A 26 26 HIS CA C 24 54.400 52.764 1.636 1
1 215 . 19 1 1 A 26 26 HIS CB C 24 32.700 44.105 -11.405 1
1 216 . 19 1 1 A 26 26 HIS N N 24 113.400 120.587 -7.187 1
1 219 . 19 1 1 A 27 27 SER CB C 25 66.800 30.777 36.023 1
1 220 . 19 1 1 A 28 28 LEU HA H 26 5.430 4.934 0.496 1
1 230 . 19 1 1 A 28 28 LEU CA C 26 56.100 54.760 1.340 1
1 231 . 19 1 1 A 28 28 LEU CB C 26 43.600 31.571 12.029 1
1 235 . 19 1 1 A 29 29 TRP HA H 27 5.320 5.188 0.132 1
1 242 . 19 1 1 A 29 29 TRP CA C 27 54.100 57.508 -3.408 1
1 243 . 19 1 1 A 29 29 TRP CB C 27 36.000 66.579 -30.579 1
1 248 . 19 1 1 A 30 30 PRO C C 28 177.500 175.361 2.139 1
1 249 . 19 1 1 A 30 30 PRO CA C 28 62.400 53.737 8.663 1
1 250 . 19 1 1 A 30 30 PRO CB C 28 31.700 42.530 -10.830 1
1 253 . 19 1 1 A 31 31 VAL H H 29 7.000 8.975 -1.975 1
1 254 . 19 1 1 A 31 31 VAL HA H 29 3.710 5.324 -1.614 1
1 262 . 19 1 1 A 31 31 VAL CA C 29 63.600 55.209 8.391 1
1 263 . 19 1 1 A 31 31 VAL CB C 29 31.200 32.745 -1.545 1
1 266 . 19 1 1 A 31 31 VAL N N 29 114.100 128.130 -14.030 1
1 270 . 19 1 1 A 33 33 ALA C C 31 177.500 176.522 0.978 1
1 271 . 19 1 1 A 33 33 ALA CA C 31 50.900 62.047 -11.147 1
1 272 . 19 1 1 A 33 33 ALA CB C 31 20.200 31.958 -11.758 1
1 273 . 19 1 1 A 34 34 ASP H H 32 8.830 8.141 0.689 1
1 274 . 19 1 1 A 34 34 ASP HA H 32 4.500 3.963 0.537 1
1 277 . 19 1 1 A 34 34 ASP C C 32 176.900 174.655 2.245 1
1 278 . 19 1 1 A 34 34 ASP CA C 32 55.200 58.990 -3.790 1
1 279 . 19 1 1 A 34 34 ASP CB C 32 40.400 36.418 3.982 1
1 280 . 19 1 1 A 34 34 ASP N N 32 124.600 120.662 3.938 1
1 281 . 19 1 1 A 35 35 ILE H H 33 8.590 7.664 0.926 1
1 282 . 19 1 1 A 35 35 ILE HA H 33 3.610 4.480 -0.870 1
1 292 . 19 1 1 A 35 35 ILE C C 33 176.100 176.302 -0.202 1
1 293 . 19 1 1 A 35 35 ILE CA C 33 58.600 51.364 7.236 1
1 294 . 19 1 1 A 35 35 ILE CB C 33 37.600 20.392 17.208 1
1 298 . 19 1 1 A 35 35 ILE N N 33 125.200 122.090 3.110 1
1 299 . 19 1 1 A 36 36 PRO HA H 34 4.290 4.753 -0.463 1
1 306 . 19 1 1 A 36 36 PRO C C 34 179.400 175.308 4.092 1
1 307 . 19 1 1 A 36 36 PRO CA C 34 62.600 54.523 8.077 1
1 308 . 19 1 1 A 36 36 PRO CB C 34 31.600 41.864 -10.264 1
1 311 . 19 1 1 A 37 37 ALA H H 35 8.300 8.307 -0.007 1
1 312 . 19 1 1 A 37 37 ALA HA H 35 4.190 4.423 -0.233 1
1 316 . 19 1 1 A 37 37 ALA CA C 35 53.600 57.013 -3.413 1
1 317 . 19 1 1 A 37 37 ALA CB C 35 18.400 40.767 -22.367 1
1 318 . 19 1 1 A 37 37 ALA N N 35 123.600 127.115 -3.515 1
1 322 . 19 1 1 A 38 38 GLY C C 36 174.000 175.673 -1.673 1
1 323 . 19 1 1 A 38 38 GLY CA C 36 45.000 62.240 -17.240 1
1 324 . 19 1 1 A 38 38 GLY N N 36 110.200 142.447 -32.247 1
1 325 . 19 1 1 A 39 39 TRP H H 37 7.700 8.350 -0.650 1
1 326 . 19 1 1 A 39 39 TRP HA H 37 4.900 4.921 -0.021 1
1 331 . 19 1 1 A 39 39 TRP C C 37 175.000 178.112 -3.112 1
1 332 . 19 1 1 A 39 39 TRP CA C 37 56.000 51.968 4.032 1
1 333 . 19 1 1 A 39 39 TRP CB C 37 31.800 21.272 10.528 1
1 335 . 19 1 1 A 39 39 TRP N N 37 120.800 121.878 -1.078 1
1 337 . 19 1 1 A 40 40 ARG H H 38 9.050 8.575 0.475 1
1 344 . 19 1 1 A 40 40 ARG C C 38 174.900 173.968 0.932 1
1 345 . 19 1 1 A 40 40 ARG CA C 38 54.000 46.077 7.923 1
1 349 . 19 1 1 A 40 40 ARG N N 38 118.200 109.036 9.164 1
1 350 . 19 1 1 A 41 41 VAL H H 39 8.660 7.437 1.223 1
1 351 . 19 1 1 A 41 41 VAL HA H 39 4.040 5.133 -1.093 1
1 359 . 19 1 1 A 41 41 VAL C C 39 178.000 174.588 3.412 1
1 360 . 19 1 1 A 41 41 VAL CA C 39 63.800 55.294 8.506 1
1 361 . 19 1 1 A 41 41 VAL CB C 39 32.400 32.981 -0.581 1
1 364 . 19 1 1 A 41 41 VAL N N 39 122.700 119.089 3.611 1
1 365 . 19 1 1 A 42 42 VAL H H 40 9.090 8.917 0.173 1
1 366 . 19 1 1 A 42 42 VAL HA H 40 4.740 4.811 -0.071 1
1 374 . 19 1 1 A 42 42 VAL C C 40 174.800 174.454 0.346 1
1 375 . 19 1 1 A 42 42 VAL CA C 40 61.000 55.104 5.896 1
1 376 . 19 1 1 A 42 42 VAL CB C 40 34.100 33.996 0.104 1
1 379 . 19 1 1 A 42 42 VAL N N 40 119.800 120.551 -0.751 1
1 380 . 19 1 1 A 43 43 HIS H H 41 7.700 9.255 -1.555 1
1 381 . 19 1 1 A 43 43 HIS HA H 41 4.530 4.385 0.145 1
1 384 . 19 1 1 A 43 43 HIS C C 41 173.400 175.524 -2.124 1
1 385 . 19 1 1 A 43 43 HIS CA C 41 57.500 63.533 -6.033 1
1 386 . 19 1 1 A 43 43 HIS CB C 41 32.800 31.463 1.337 1
1 387 . 19 1 1 A 43 43 HIS N N 41 119.700 127.629 -7.929 1
1 388 . 19 1 1 A 44 44 GLY H H 42 7.590 9.193 -1.603 1
1 391 . 19 1 1 A 44 44 GLY C C 42 174.600 175.830 -1.230 1
1 392 . 19 1 1 A 44 44 GLY CA C 42 42.400 64.205 -21.805 1
1 393 . 19 1 1 A 44 44 GLY N N 42 112.000 128.966 -16.966 1
1 394 . 19 1 1 A 45 45 GLU H H 43 8.700 7.583 1.117 1
1 395 . 19 1 1 A 45 45 GLU HA H 43 4.120 4.725 -0.605 1
1 400 . 19 1 1 A 45 45 GLU C C 43 175.200 173.381 1.819 1
1 401 . 19 1 1 A 45 45 GLU CA C 43 56.900 55.778 1.122 1
1 402 . 19 1 1 A 45 45 GLU CB C 43 30.900 32.160 -1.260 1
1 404 . 19 1 1 A 45 45 GLU N N 43 121.700 116.346 5.354 1
1 405 . 19 1 1 A 46 46 ALA H H 44 9.400 7.741 1.659 1
1 409 . 19 1 1 A 46 46 ALA C C 44 175.100 172.523 2.577 1
1 410 . 19 1 1 A 46 46 ALA CA C 44 51.100 43.542 7.558 1
1 412 . 19 1 1 A 46 46 ALA N N 44 127.000 111.253 15.747 1
1 413 . 19 1 1 A 47 47 SER H H 45 8.710 7.640 1.070 1
1 414 . 19 1 1 A 47 47 SER HA H 45 4.730 5.140 -0.410 1
1 417 . 19 1 1 A 47 47 SER C C 45 175.000 175.944 -0.944 1
1 418 . 19 1 1 A 47 47 SER CA C 45 57.900 55.448 2.452 1
1 419 . 19 1 1 A 47 47 SER CB C 45 64.900 29.680 35.220 1
1 420 . 19 1 1 A 47 47 SER N N 45 115.300 122.236 -6.936 1
1 421 . 19 1 1 A 48 48 ARG H H 46 9.520 8.356 1.164 1
1 422 . 19 1 1 A 48 48 ARG HA H 46 3.390 5.085 -1.695 1
1 429 . 19 1 1 A 48 48 ARG C C 46 178.300 177.111 1.189 1
1 430 . 19 1 1 A 48 48 ARG CA C 46 61.000 50.233 10.767 1
1 431 . 19 1 1 A 48 48 ARG CB C 46 30.100 22.914 7.186 1
1 434 . 19 1 1 A 48 48 ARG N N 46 123.400 128.007 -4.607 1
1 435 . 19 1 1 A 49 49 ALA H H 47 8.620 8.615 0.005 1
1 436 . 19 1 1 A 49 49 ALA HA H 47 3.970 4.715 -0.745 1
1 440 . 19 1 1 A 49 49 ALA C C 47 180.500 174.785 5.715 1
1 441 . 19 1 1 A 49 49 ALA CA C 47 55.400 60.352 -4.952 1
1 442 . 19 1 1 A 49 49 ALA CB C 47 18.200 63.850 -45.650 1
1 443 . 19 1 1 A 49 49 ALA N N 47 118.800 117.399 1.401 1
1 444 . 19 1 1 A 50 50 ALA H H 48 8.130 8.775 -0.645 1
1 445 . 19 1 1 A 50 50 ALA HA H 48 4.260 3.582 0.678 1
1 449 . 19 1 1 A 50 50 ALA C C 48 182.500 177.730 4.770 1
1 450 . 19 1 1 A 50 50 ALA CA C 48 54.900 59.454 -4.554 1
1 451 . 19 1 1 A 50 50 ALA CB C 48 19.100 29.064 -9.964 1
1 452 . 19 1 1 A 50 50 ALA N N 48 122.100 125.786 -3.686 1
1 453 . 19 1 1 A 51 51 CYS H H 49 8.530 7.876 0.654 1
1 454 . 19 1 1 A 51 51 CYS HA H 49 4.070 4.118 -0.048 1
1 457 . 19 1 1 A 51 51 CYS C C 49 176.800 179.775 -2.975 1
1 458 . 19 1 1 A 51 51 CYS CA C 49 65.000 54.940 10.060 1
1 459 . 19 1 1 A 51 51 CYS CB C 49 27.100 18.079 9.021 1
1 460 . 19 1 1 A 51 51 CYS N N 49 119.000 120.268 -1.268 1
1 461 . 19 1 1 A 52 52 LEU H H 50 8.660 8.130 0.530 1
1 462 . 19 1 1 A 52 52 LEU HA H 50 3.990 4.084 -0.094 1
1 472 . 19 1 1 A 52 52 LEU C C 50 179.800 179.601 0.199 1
1 473 . 19 1 1 A 52 52 LEU CA C 50 58.200 54.918 3.282 1
1 474 . 19 1 1 A 52 52 LEU CB C 50 41.000 18.206 22.794 1
1 478 . 19 1 1 A 52 52 LEU N N 50 121.100 119.475 1.625 1
1 479 . 19 1 1 A 53 53 ASP H H 51 8.020 8.154 -0.134 1
1 480 . 19 1 1 A 53 53 ASP HA H 51 4.370 4.164 0.206 1
1 483 . 19 1 1 A 53 53 ASP C C 51 177.500 177.109 0.391 1
1 484 . 19 1 1 A 53 53 ASP CA C 51 57.500 63.984 -6.484 1
1 485 . 19 1 1 A 53 53 ASP CB C 51 41.500 27.351 14.149 1
1 486 . 19 1 1 A 53 53 ASP N N 51 120.300 116.150 4.150 1
1 487 . 19 1 1 A 54 54 TYR H H 52 7.760 8.346 -0.586 1
1 488 . 19 1 1 A 54 54 TYR HA H 52 3.770 3.782 -0.012 1
1 495 . 19 1 1 A 54 54 TYR C C 52 179.000 178.511 0.489 1
1 496 . 19 1 1 A 54 54 TYR CA C 52 62.300 58.027 4.273 1
1 497 . 19 1 1 A 54 54 TYR CB C 52 37.700 41.401 -3.701 1
1 502 . 19 1 1 A 54 54 TYR N N 52 119.700 120.462 -0.762 1
1 503 . 19 1 1 A 55 55 VAL H H 53 8.250 8.494 -0.244 1
1 504 . 19 1 1 A 55 55 VAL HA H 53 3.580 4.254 -0.674 1
1 512 . 19 1 1 A 55 55 VAL C C 53 177.700 177.699 0.001 1
1 513 . 19 1 1 A 55 55 VAL CA C 53 66.800 57.230 9.570 1
1 514 . 19 1 1 A 55 55 VAL CB C 53 31.900 41.835 -9.935 1
1 517 . 19 1 1 A 55 55 VAL N N 53 120.200 119.057 1.143 1
1 518 . 19 1 1 A 56 56 GLU H H 54 8.170 8.356 -0.186 1
1 519 . 19 1 1 A 56 56 GLU HA H 54 4.010 4.170 -0.160 1
1 524 . 19 1 1 A 56 56 GLU C C 54 178.700 177.791 0.909 1
1 525 . 19 1 1 A 56 56 GLU CA C 54 59.200 61.365 -2.165 1
1 526 . 19 1 1 A 56 56 GLU CB C 54 29.600 38.785 -9.185 1
1 528 . 19 1 1 A 56 56 GLU N N 54 119.600 120.846 -1.246 1
1 529 . 19 1 1 A 57 57 LYS H H 55 7.800 8.133 -0.333 1
1 530 . 19 1 1 A 57 57 LYS HA H 55 4.040 3.340 0.700 1
1 539 . 19 1 1 A 57 57 LYS C C 55 177.900 178.036 -0.136 1
1 540 . 19 1 1 A 57 57 LYS CA C 55 57.900 66.292 -8.392 1
1 541 . 19 1 1 A 57 57 LYS CB C 55 33.300 31.430 1.870 1
1 545 . 19 1 1 A 57 57 LYS N N 55 115.700 118.958 -3.258 1
1 546 . 19 1 1 A 58 58 ASN H H 56 7.570 8.196 -0.626 1
1 547 . 19 1 1 A 58 58 ASN HA H 56 4.490 4.030 0.460 1
1 552 . 19 1 1 A 58 58 ASN C C 56 174.300 179.575 -5.275 1
1 553 . 19 1 1 A 58 58 ASN CA C 56 54.700 59.171 -4.471 1
1 554 . 19 1 1 A 58 58 ASN CB C 56 40.100 29.097 11.003 1
1 555 . 19 1 1 A 58 58 ASN N N 56 115.000 121.628 -6.628 1
1 557 . 19 1 1 A 59 59 TRP H H 57 8.120 7.917 0.203 1
1 562 . 19 1 1 A 59 59 TRP CA C 57 57.800 58.619 -0.819 1
1 563 . 19 1 1 A 59 59 TRP CB C 57 29.800 32.064 -2.264 1
1 564 . 19 1 1 A 59 59 TRP N N 57 121.400 119.816 1.584 1
1 566 . 19 1 1 A 64 64 PRO HA H 62 4.410 4.772 -0.362 1
1 571 . 19 1 1 A 64 64 PRO C C 62 176.200 175.217 0.983 1
1 572 . 19 1 1 A 64 64 PRO CA C 62 63.300 53.743 9.557 1
1 573 . 19 1 1 A 64 64 PRO CB C 62 32.100 44.379 -12.279 1
1 576 . 19 1 1 A 65 65 LYS H H 63 8.030 8.916 -0.886 1
1 577 . 19 1 1 A 65 65 LYS HA H 63 4.130 5.011 -0.881 1
1 580 . 19 1 1 A 65 65 LYS CA C 63 57.700 52.744 4.956 1
1 581 . 19 1 1 A 65 65 LYS CB C 63 33.600 32.495 1.105 1
1 3 . 20 1 1 A 4 4 MET H H 2 8.430 8.439 -0.009 1
1 7 . 20 1 1 A 4 4 MET C C 2 176.000 172.829 3.171 1
1 8 . 20 1 1 A 4 4 MET CA C 2 55.400 58.232 -2.832 1
1 9 . 20 1 1 A 4 4 MET CB C 2 32.900 63.865 -30.965 1
1 11 . 20 1 1 A 4 4 MET N N 2 120.500 117.769 2.731 1
1 12 . 20 1 1 A 5 5 SER H H 3 8.400 9.001 -0.601 1
1 13 . 20 1 1 A 5 5 SER HA H 3 4.500 4.966 -0.466 1
1 16 . 20 1 1 A 5 5 SER C C 3 174.700 173.846 0.854 1
1 17 . 20 1 1 A 5 5 SER CA C 3 58.400 53.987 4.413 1
1 18 . 20 1 1 A 5 5 SER CB C 3 63.800 29.604 34.196 1
1 19 . 20 1 1 A 5 5 SER N N 3 117.300 126.825 -9.525 1
1 20 . 20 1 1 A 6 6 THR H H 4 8.210 8.414 -0.204 1
1 21 . 20 1 1 A 6 6 THR HA H 4 4.330 4.672 -0.342 1
1 26 . 20 1 1 A 6 6 THR C C 4 174.000 175.777 -1.777 1
1 27 . 20 1 1 A 6 6 THR CA C 4 61.900 54.943 6.957 1
1 28 . 20 1 1 A 6 6 THR CB C 4 69.900 33.595 36.305 1
1 30 . 20 1 1 A 6 6 THR N N 4 115.400 123.694 -8.294 1
1 31 . 20 1 1 A 7 7 ASN H H 5 8.440 9.027 -0.587 1
1 32 . 20 1 1 A 7 7 ASN HA H 5 4.950 4.779 0.171 1
1 37 . 20 1 1 A 7 7 ASN CA C 5 50.900 58.314 -7.414 1
1 38 . 20 1 1 A 7 7 ASN CB C 5 39.000 63.904 -24.904 1
1 39 . 20 1 1 A 7 7 ASN N N 5 121.600 120.968 0.632 1
1 41 . 20 1 1 A 8 8 PRO HA H 6 4.310 4.543 -0.233 1
1 48 . 20 1 1 A 8 8 PRO C C 6 177.100 173.641 3.459 1
1 49 . 20 1 1 A 8 8 PRO CA C 6 64.000 61.609 2.391 1
1 50 . 20 1 1 A 8 8 PRO CB C 6 32.100 68.506 -36.406 1
1 53 . 20 1 1 A 9 9 PHE H H 7 8.020 8.065 -0.045 1
1 54 . 20 1 1 A 9 9 PHE HA H 7 4.480 5.204 -0.724 1
1 59 . 20 1 1 A 9 9 PHE CA C 7 58.300 49.525 8.775 1
1 60 . 20 1 1 A 9 9 PHE CB C 7 38.800 40.102 -1.302 1
1 63 . 20 1 1 A 9 9 PHE N N 7 117.200 126.488 -9.288 1
1 64 . 20 1 1 A 12 12 ASP C C 10 176.700 175.500 1.200 1
1 65 . 20 1 1 A 12 12 ASP CA C 10 54.800 53.860 0.940 1
1 66 . 20 1 1 A 12 12 ASP CB C 10 41.000 42.765 -1.765 1
1 67 . 20 1 1 A 13 13 ASN H H 11 8.490 7.692 0.798 1
1 70 . 20 1 1 A 13 13 ASN C C 11 175.700 174.512 1.188 1
1 71 . 20 1 1 A 13 13 ASN CA C 11 53.400 52.384 1.016 1
1 72 . 20 1 1 A 13 13 ASN CB C 11 39.200 43.204 -4.004 1
1 73 . 20 1 1 A 13 13 ASN N N 11 118.500 117.312 1.188 1
1 75 . 20 1 1 A 14 14 GLY H H 12 8.200 8.680 -0.480 1
1 78 . 20 1 1 A 14 14 GLY C C 12 172.200 176.205 -4.005 1
1 79 . 20 1 1 A 14 14 GLY CA C 12 45.200 53.625 -8.425 1
1 80 . 20 1 1 A 14 14 GLY N N 12 108.500 121.252 -12.752 1
1 81 . 20 1 1 A 15 15 ALA H H 13 7.670 8.992 -1.322 1
1 82 . 20 1 1 A 15 15 ALA HA H 13 4.600 4.608 -0.008 1
1 86 . 20 1 1 A 15 15 ALA C C 13 176.500 176.343 0.157 1
1 87 . 20 1 1 A 15 15 ALA CA C 13 51.400 53.843 -2.443 1
1 88 . 20 1 1 A 15 15 ALA CB C 13 21.000 39.716 -18.716 1
1 89 . 20 1 1 A 15 15 ALA N N 13 122.600 123.276 -0.676 1
1 90 . 20 1 1 A 16 16 PHE H H 14 9.350 7.943 1.407 1
1 98 . 20 1 1 A 16 16 PHE C C 14 174.300 173.081 1.219 1
1 99 . 20 1 1 A 16 16 PHE CA C 14 57.600 45.918 11.682 1
1 105 . 20 1 1 A 16 16 PHE N N 14 120.000 107.052 12.948 1
1 106 . 20 1 1 A 17 17 PHE H H 15 9.550 7.835 1.715 1
1 107 . 20 1 1 A 17 17 PHE HA H 15 5.600 4.618 0.982 1
1 112 . 20 1 1 A 17 17 PHE C C 15 177.700 175.712 1.988 1
1 113 . 20 1 1 A 17 17 PHE CA C 15 55.900 50.879 5.021 1
1 114 . 20 1 1 A 17 17 PHE CB C 15 44.100 23.225 20.875 1
1 117 . 20 1 1 A 17 17 PHE N N 15 115.700 120.201 -4.501 1
1 118 . 20 1 1 A 18 18 VAL H H 16 8.670 7.904 0.766 1
1 119 . 20 1 1 A 18 18 VAL HA H 16 4.220 5.954 -1.734 1
1 127 . 20 1 1 A 18 18 VAL C C 16 175.200 173.950 1.250 1
1 128 . 20 1 1 A 18 18 VAL CA C 16 62.700 55.349 7.351 1
1 129 . 20 1 1 A 18 18 VAL CB C 16 32.700 42.740 -10.040 1
1 132 . 20 1 1 A 18 18 VAL N N 16 117.200 116.438 0.762 1
1 133 . 20 1 1 A 19 19 LEU H H 17 9.500 9.669 -0.169 1
1 134 . 20 1 1 A 19 19 LEU HA H 17 5.730 5.342 0.388 1
1 144 . 20 1 1 A 19 19 LEU C C 17 176.700 175.521 1.179 1
1 145 . 20 1 1 A 19 19 LEU CA C 17 52.100 56.548 -4.448 1
1 146 . 20 1 1 A 19 19 LEU CB C 17 46.800 42.727 4.073 1
1 150 . 20 1 1 A 19 19 LEU N N 17 127.100 118.796 8.304 1
1 151 . 20 1 1 A 20 20 VAL H H 18 9.170 9.165 0.005 1
1 152 . 20 1 1 A 20 20 VAL HA H 18 5.710 4.604 1.106 1
1 160 . 20 1 1 A 20 20 VAL C C 18 174.800 175.003 -0.203 1
1 161 . 20 1 1 A 20 20 VAL CA C 18 59.300 62.816 -3.516 1
1 162 . 20 1 1 A 20 20 VAL CB C 18 36.700 31.095 5.605 1
1 165 . 20 1 1 A 20 20 VAL N N 18 115.900 122.336 -6.436 1
1 166 . 20 1 1 A 21 21 ASN H H 19 7.320 9.298 -1.978 1
1 167 . 20 1 1 A 21 21 ASN HA H 19 4.720 5.507 -0.787 1
1 170 . 20 1 1 A 21 21 ASN C C 19 177.700 174.880 2.820 1
1 171 . 20 1 1 A 21 21 ASN CA C 19 49.700 53.519 -3.819 1
1 172 . 20 1 1 A 21 21 ASN CB C 19 37.500 45.190 -7.690 1
1 173 . 20 1 1 A 21 21 ASN N N 19 122.600 130.016 -7.416 1
1 174 . 20 1 1 A 22 22 ASP H H 20 8.240 9.364 -1.124 1
1 175 . 20 1 1 A 22 22 ASP HA H 20 4.400 4.716 -0.316 1
1 178 . 20 1 1 A 22 22 ASP C C 20 176.600 174.607 1.993 1
1 179 . 20 1 1 A 22 22 ASP CA C 20 56.400 61.128 -4.728 1
1 180 . 20 1 1 A 22 22 ASP CB C 20 40.100 34.121 5.979 1
1 181 . 20 1 1 A 22 22 ASP N N 20 117.500 126.052 -8.552 1
1 182 . 20 1 1 A 23 23 GLU H H 21 7.220 8.192 -0.972 1
1 183 . 20 1 1 A 23 23 GLU HA H 21 4.380 5.171 -0.791 1
1 188 . 20 1 1 A 23 23 GLU C C 21 175.500 175.597 -0.097 1
1 189 . 20 1 1 A 23 23 GLU CA C 21 55.600 51.864 3.736 1
1 190 . 20 1 1 A 23 23 GLU CB C 21 29.500 40.816 -11.316 1
1 192 . 20 1 1 A 23 23 GLU N N 21 118.100 125.744 -7.644 1
1 193 . 20 1 1 A 24 24 ASP H H 22 8.030 9.070 -1.040 1
1 194 . 20 1 1 A 24 24 ASP HA H 22 4.280 4.262 0.018 1
1 197 . 20 1 1 A 24 24 ASP CA C 22 56.200 57.983 -1.783 1
1 198 . 20 1 1 A 24 24 ASP CB C 22 40.000 41.023 -1.023 1
1 199 . 20 1 1 A 24 24 ASP N N 22 115.700 125.941 -10.241 1
1 200 . 20 1 1 A 25 25 GLN H H 23 7.710 8.403 -0.693 1
1 201 . 20 1 1 A 25 25 GLN HA H 23 4.270 4.445 -0.175 1
1 206 . 20 1 1 A 25 25 GLN C C 23 175.300 175.014 0.286 1
1 207 . 20 1 1 A 25 25 GLN CA C 23 55.200 56.170 -0.970 1
1 208 . 20 1 1 A 25 25 GLN CB C 23 29.400 30.219 -0.819 1
1 209 . 20 1 1 A 25 25 GLN N N 23 116.800 115.022 1.778 1
1 210 . 20 1 1 A 26 26 HIS H H 24 8.870 7.814 1.056 1
1 211 . 20 1 1 A 26 26 HIS HA H 24 6.030 4.863 1.167 1
1 214 . 20 1 1 A 26 26 HIS CA C 24 54.400 53.002 1.398 1
1 215 . 20 1 1 A 26 26 HIS CB C 24 32.700 42.589 -9.889 1
1 216 . 20 1 1 A 26 26 HIS N N 24 113.400 121.638 -8.238 1
1 219 . 20 1 1 A 27 27 SER CB C 25 66.800 29.994 36.806 1
1 220 . 20 1 1 A 28 28 LEU HA H 26 5.430 5.091 0.339 1
1 230 . 20 1 1 A 28 28 LEU CA C 26 56.100 54.839 1.261 1
1 231 . 20 1 1 A 28 28 LEU CB C 26 43.600 32.027 11.573 1
1 235 . 20 1 1 A 29 29 TRP HA H 27 5.320 5.057 0.263 1
1 242 . 20 1 1 A 29 29 TRP CA C 27 54.100 57.717 -3.617 1
1 243 . 20 1 1 A 29 29 TRP CB C 27 36.000 66.375 -30.375 1
1 248 . 20 1 1 A 30 30 PRO C C 28 177.500 175.535 1.965 1
1 249 . 20 1 1 A 30 30 PRO CA C 28 62.400 54.479 7.921 1
1 250 . 20 1 1 A 30 30 PRO CB C 28 31.700 41.452 -9.752 1
1 253 . 20 1 1 A 31 31 VAL H H 29 7.000 9.262 -2.262 1
1 254 . 20 1 1 A 31 31 VAL HA H 29 3.710 5.399 -1.689 1
1 262 . 20 1 1 A 31 31 VAL CA C 29 63.600 54.824 8.776 1
1 263 . 20 1 1 A 31 31 VAL CB C 29 31.200 31.640 -0.440 1
1 266 . 20 1 1 A 31 31 VAL N N 29 114.100 127.602 -13.502 1
1 270 . 20 1 1 A 33 33 ALA C C 31 177.500 177.375 0.125 1
1 271 . 20 1 1 A 33 33 ALA CA C 31 50.900 64.040 -13.140 1
1 272 . 20 1 1 A 33 33 ALA CB C 31 20.200 31.501 -11.301 1
1 273 . 20 1 1 A 34 34 ASP H H 32 8.830 7.902 0.928 1
1 274 . 20 1 1 A 34 34 ASP HA H 32 4.500 4.077 0.423 1
1 277 . 20 1 1 A 34 34 ASP C C 32 176.900 174.571 2.329 1
1 278 . 20 1 1 A 34 34 ASP CA C 32 55.200 61.133 -5.933 1
1 279 . 20 1 1 A 34 34 ASP CB C 32 40.400 39.471 0.929 1
1 280 . 20 1 1 A 34 34 ASP N N 32 124.600 122.692 1.908 1
1 281 . 20 1 1 A 35 35 ILE H H 33 8.590 7.270 1.320 1
1 282 . 20 1 1 A 35 35 ILE HA H 33 3.610 4.432 -0.822 1
1 292 . 20 1 1 A 35 35 ILE C C 33 176.100 176.520 -0.420 1
1 293 . 20 1 1 A 35 35 ILE CA C 33 58.600 50.086 8.514 1
1 294 . 20 1 1 A 35 35 ILE CB C 33 37.600 21.936 15.664 1
1 298 . 20 1 1 A 35 35 ILE N N 33 125.200 118.425 6.775 1
1 299 . 20 1 1 A 36 36 PRO HA H 34 4.290 4.719 -0.429 1
1 306 . 20 1 1 A 36 36 PRO C C 34 179.400 176.227 3.173 1
1 307 . 20 1 1 A 36 36 PRO CA C 34 62.600 54.254 8.346 1
1 308 . 20 1 1 A 36 36 PRO CB C 34 31.600 41.279 -9.679 1
1 311 . 20 1 1 A 37 37 ALA H H 35 8.300 8.713 -0.413 1
1 312 . 20 1 1 A 37 37 ALA HA H 35 4.190 4.364 -0.174 1
1 316 . 20 1 1 A 37 37 ALA CA C 35 53.600 58.339 -4.739 1
1 317 . 20 1 1 A 37 37 ALA CB C 35 18.400 37.386 -18.986 1
1 318 . 20 1 1 A 37 37 ALA N N 35 123.600 122.973 0.627 1
1 322 . 20 1 1 A 38 38 GLY C C 36 174.000 175.407 -1.407 1
1 323 . 20 1 1 A 38 38 GLY CA C 36 45.000 64.840 -19.840 1
1 324 . 20 1 1 A 38 38 GLY N N 36 110.200 141.655 -31.455 1
1 325 . 20 1 1 A 39 39 TRP H H 37 7.700 8.092 -0.392 1
1 326 . 20 1 1 A 39 39 TRP HA H 37 4.900 4.905 -0.005 1
1 331 . 20 1 1 A 39 39 TRP C C 37 175.000 176.715 -1.715 1
1 332 . 20 1 1 A 39 39 TRP CA C 37 56.000 51.410 4.590 1
1 333 . 20 1 1 A 39 39 TRP CB C 37 31.800 22.380 9.420 1
1 335 . 20 1 1 A 39 39 TRP N N 37 120.800 117.649 3.151 1
1 337 . 20 1 1 A 40 40 ARG H H 38 9.050 8.695 0.355 1
1 344 . 20 1 1 A 40 40 ARG C C 38 174.900 173.909 0.991 1
1 345 . 20 1 1 A 40 40 ARG CA C 38 54.000 46.355 7.645 1
1 349 . 20 1 1 A 40 40 ARG N N 38 118.200 109.236 8.964 1
1 350 . 20 1 1 A 41 41 VAL H H 39 8.660 7.324 1.336 1
1 351 . 20 1 1 A 41 41 VAL HA H 39 4.040 5.086 -1.046 1
1 359 . 20 1 1 A 41 41 VAL C C 39 178.000 174.596 3.404 1
1 360 . 20 1 1 A 41 41 VAL CA C 39 63.800 54.880 8.920 1
1 361 . 20 1 1 A 41 41 VAL CB C 39 32.400 32.718 -0.318 1
1 364 . 20 1 1 A 41 41 VAL N N 39 122.700 119.028 3.672 1
1 365 . 20 1 1 A 42 42 VAL H H 40 9.090 8.808 0.282 1
1 366 . 20 1 1 A 42 42 VAL HA H 40 4.740 4.967 -0.227 1
1 374 . 20 1 1 A 42 42 VAL C C 40 174.800 174.552 0.248 1
1 375 . 20 1 1 A 42 42 VAL CA C 40 61.000 54.962 6.038 1
1 376 . 20 1 1 A 42 42 VAL CB C 40 34.100 34.010 0.090 1
1 379 . 20 1 1 A 42 42 VAL N N 40 119.800 120.941 -1.141 1
1 380 . 20 1 1 A 43 43 HIS H H 41 7.700 9.244 -1.544 1
1 381 . 20 1 1 A 43 43 HIS HA H 41 4.530 4.334 0.196 1
1 384 . 20 1 1 A 43 43 HIS C C 41 173.400 175.640 -2.240 1
1 385 . 20 1 1 A 43 43 HIS CA C 41 57.500 63.440 -5.940 1
1 386 . 20 1 1 A 43 43 HIS CB C 41 32.800 31.416 1.384 1
1 387 . 20 1 1 A 43 43 HIS N N 41 119.700 127.841 -8.141 1
1 388 . 20 1 1 A 44 44 GLY H H 42 7.590 9.072 -1.482 1
1 391 . 20 1 1 A 44 44 GLY C C 42 174.600 176.094 -1.494 1
1 392 . 20 1 1 A 44 44 GLY CA C 42 42.400 63.915 -21.515 1
1 393 . 20 1 1 A 44 44 GLY N N 42 112.000 128.659 -16.659 1
1 394 . 20 1 1 A 45 45 GLU H H 43 8.700 7.250 1.450 1
1 395 . 20 1 1 A 45 45 GLU HA H 43 4.120 4.737 -0.617 1
1 400 . 20 1 1 A 45 45 GLU C C 43 175.200 173.312 1.888 1
1 401 . 20 1 1 A 45 45 GLU CA C 43 56.900 55.251 1.649 1
1 402 . 20 1 1 A 45 45 GLU CB C 43 30.900 32.685 -1.785 1
1 404 . 20 1 1 A 45 45 GLU N N 43 121.700 117.360 4.340 1
1 405 . 20 1 1 A 46 46 ALA H H 44 9.400 8.049 1.351 1
1 409 . 20 1 1 A 46 46 ALA C C 44 175.100 172.733 2.367 1
1 410 . 20 1 1 A 46 46 ALA CA C 44 51.100 43.656 7.444 1
1 412 . 20 1 1 A 46 46 ALA N N 44 127.000 111.904 15.096 1
1 413 . 20 1 1 A 47 47 SER H H 45 8.710 7.844 0.866 1
1 414 . 20 1 1 A 47 47 SER HA H 45 4.730 4.945 -0.215 1
1 417 . 20 1 1 A 47 47 SER C C 45 175.000 175.780 -0.780 1
1 418 . 20 1 1 A 47 47 SER CA C 45 57.900 55.475 2.425 1
1 419 . 20 1 1 A 47 47 SER CB C 45 64.900 29.932 34.968 1
1 420 . 20 1 1 A 47 47 SER N N 45 115.300 118.340 -3.040 1
1 421 . 20 1 1 A 48 48 ARG H H 46 9.520 8.330 1.190 1
1 422 . 20 1 1 A 48 48 ARG HA H 46 3.390 5.081 -1.691 1
1 429 . 20 1 1 A 48 48 ARG C C 46 178.300 176.683 1.617 1
1 430 . 20 1 1 A 48 48 ARG CA C 46 61.000 50.385 10.615 1
1 431 . 20 1 1 A 48 48 ARG CB C 46 30.100 23.201 6.899 1
1 434 . 20 1 1 A 48 48 ARG N N 46 123.400 126.235 -2.835 1
1 435 . 20 1 1 A 49 49 ALA H H 47 8.620 8.516 0.104 1
1 436 . 20 1 1 A 49 49 ALA HA H 47 3.970 4.511 -0.541 1
1 440 . 20 1 1 A 49 49 ALA C C 47 180.500 174.753 5.747 1
1 441 . 20 1 1 A 49 49 ALA CA C 47 55.400 60.138 -4.738 1
1 442 . 20 1 1 A 49 49 ALA CB C 47 18.200 63.731 -45.531 1
1 443 . 20 1 1 A 49 49 ALA N N 47 118.800 115.059 3.741 1
1 444 . 20 1 1 A 50 50 ALA H H 48 8.130 8.890 -0.760 1
1 445 . 20 1 1 A 50 50 ALA HA H 48 4.260 3.577 0.683 1
1 449 . 20 1 1 A 50 50 ALA C C 48 182.500 177.792 4.708 1
1 450 . 20 1 1 A 50 50 ALA CA C 48 54.900 59.362 -4.462 1
1 451 . 20 1 1 A 50 50 ALA CB C 48 19.100 29.162 -10.062 1
1 452 . 20 1 1 A 50 50 ALA N N 48 122.100 125.749 -3.649 1
1 453 . 20 1 1 A 51 51 CYS H H 49 8.530 7.864 0.666 1
1 454 . 20 1 1 A 51 51 CYS HA H 49 4.070 4.084 -0.014 1
1 457 . 20 1 1 A 51 51 CYS C C 49 176.800 180.316 -3.516 1
1 458 . 20 1 1 A 51 51 CYS CA C 49 65.000 54.931 10.069 1
1 459 . 20 1 1 A 51 51 CYS CB C 49 27.100 18.127 8.973 1
1 460 . 20 1 1 A 51 51 CYS N N 49 119.000 120.537 -1.537 1
1 461 . 20 1 1 A 52 52 LEU H H 50 8.660 7.961 0.699 1
1 462 . 20 1 1 A 52 52 LEU HA H 50 3.990 4.082 -0.092 1
1 472 . 20 1 1 A 52 52 LEU C C 50 179.800 179.495 0.305 1
1 473 . 20 1 1 A 52 52 LEU CA C 50 58.200 55.030 3.170 1
1 474 . 20 1 1 A 52 52 LEU CB C 50 41.000 18.410 22.590 1
1 478 . 20 1 1 A 52 52 LEU N N 50 121.100 119.673 1.427 1
1 479 . 20 1 1 A 53 53 ASP H H 51 8.020 8.158 -0.138 1
1 480 . 20 1 1 A 53 53 ASP HA H 51 4.370 4.024 0.346 1
1 483 . 20 1 1 A 53 53 ASP C C 51 177.500 177.132 0.368 1
1 484 . 20 1 1 A 53 53 ASP CA C 51 57.500 63.681 -6.181 1
1 485 . 20 1 1 A 53 53 ASP CB C 51 41.500 27.303 14.197 1
1 486 . 20 1 1 A 53 53 ASP N N 51 120.300 115.981 4.319 1
1 487 . 20 1 1 A 54 54 TYR H H 52 7.760 8.509 -0.749 1
1 488 . 20 1 1 A 54 54 TYR HA H 52 3.770 3.915 -0.145 1
1 495 . 20 1 1 A 54 54 TYR C C 52 179.000 178.554 0.446 1
1 496 . 20 1 1 A 54 54 TYR CA C 52 62.300 58.161 4.139 1
1 497 . 20 1 1 A 54 54 TYR CB C 52 37.700 41.761 -4.061 1
1 502 . 20 1 1 A 54 54 TYR N N 52 119.700 120.240 -0.540 1
1 503 . 20 1 1 A 55 55 VAL H H 53 8.250 8.327 -0.077 1
1 504 . 20 1 1 A 55 55 VAL HA H 53 3.580 4.277 -0.697 1
1 512 . 20 1 1 A 55 55 VAL C C 53 177.700 177.751 -0.051 1
1 513 . 20 1 1 A 55 55 VAL CA C 53 66.800 57.518 9.282 1
1 514 . 20 1 1 A 55 55 VAL CB C 53 31.900 41.209 -9.309 1
1 517 . 20 1 1 A 55 55 VAL N N 53 120.200 119.220 0.980 1
1 518 . 20 1 1 A 56 56 GLU H H 54 8.170 8.336 -0.166 1
1 519 . 20 1 1 A 56 56 GLU HA H 54 4.010 4.056 -0.046 1
1 524 . 20 1 1 A 56 56 GLU C C 54 178.700 178.019 0.681 1
1 525 . 20 1 1 A 56 56 GLU CA C 54 59.200 61.495 -2.295 1
1 526 . 20 1 1 A 56 56 GLU CB C 54 29.600 38.793 -9.193 1
1 528 . 20 1 1 A 56 56 GLU N N 54 119.600 120.999 -1.399 1
1 529 . 20 1 1 A 57 57 LYS H H 55 7.800 8.102 -0.302 1
1 530 . 20 1 1 A 57 57 LYS HA H 55 4.040 3.606 0.434 1
1 539 . 20 1 1 A 57 57 LYS C C 55 177.900 177.945 -0.045 1
1 540 . 20 1 1 A 57 57 LYS CA C 55 57.900 66.073 -8.173 1
1 541 . 20 1 1 A 57 57 LYS CB C 55 33.300 31.184 2.116 1
1 545 . 20 1 1 A 57 57 LYS N N 55 115.700 118.794 -3.094 1
1 546 . 20 1 1 A 58 58 ASN H H 56 7.570 8.470 -0.900 1
1 547 . 20 1 1 A 58 58 ASN HA H 56 4.490 4.119 0.371 1
1 552 . 20 1 1 A 58 58 ASN C C 56 174.300 178.537 -4.237 1
1 553 . 20 1 1 A 58 58 ASN CA C 56 54.700 59.053 -4.353 1
1 554 . 20 1 1 A 58 58 ASN CB C 56 40.100 29.166 10.934 1
1 555 . 20 1 1 A 58 58 ASN N N 56 115.000 121.009 -6.009 1
1 557 . 20 1 1 A 59 59 TRP H H 57 8.120 8.098 0.022 1
1 562 . 20 1 1 A 59 59 TRP CA C 57 57.800 57.516 0.284 1
1 563 . 20 1 1 A 59 59 TRP CB C 57 29.800 32.357 -2.557 1
1 564 . 20 1 1 A 59 59 TRP N N 57 121.400 118.130 3.270 1
1 566 . 20 1 1 A 64 64 PRO HA H 62 4.410 4.279 0.131 1
1 571 . 20 1 1 A 64 64 PRO C C 62 176.200 177.027 -0.827 1
1 572 . 20 1 1 A 64 64 PRO CA C 62 63.300 56.958 6.342 1
1 573 . 20 1 1 A 64 64 PRO CB C 62 32.100 42.475 -10.375 1
1 576 . 20 1 1 A 65 65 LYS H H 63 8.030 7.851 0.179 1
1 577 . 20 1 1 A 65 65 LYS HA H 63 4.130 4.788 -0.658 1
1 580 . 20 1 1 A 65 65 LYS CA C 63 57.700 53.723 3.977 1
1 581 . 20 1 1 A 65 65 LYS CB C 63 33.600 33.141 0.459 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 44 2.171 1
2 1 1 1 "RMS(OBS, PRED)" CA 54 7.296 1
3 1 1 1 "RMS(OBS, PRED)" CB 49 17.602 1
4 1 1 1 "RMS(OBS, PRED)" H 45 0.966 1
5 1 1 1 "RMS(OBS, PRED)" HA 42 0.729 1
6 1 1 1 "RMS(OBS, PRED)" N 45 8.214 1
7 1 2 1 "RMS(OBS, PRED)" C 44 2.223 1
8 1 2 1 "RMS(OBS, PRED)" CA 54 7.146 1
9 1 2 1 "RMS(OBS, PRED)" CB 49 17.741 1
10 1 2 1 "RMS(OBS, PRED)" H 45 0.896 1
11 1 2 1 "RMS(OBS, PRED)" HA 42 0.697 1
12 1 2 1 "RMS(OBS, PRED)" N 45 8.739 1
13 1 3 1 "RMS(OBS, PRED)" C 44 2.294 1
14 1 3 1 "RMS(OBS, PRED)" CA 54 7.255 1
15 1 3 1 "RMS(OBS, PRED)" CB 49 17.709 1
16 1 3 1 "RMS(OBS, PRED)" H 45 0.936 1
17 1 3 1 "RMS(OBS, PRED)" HA 42 0.746 1
18 1 3 1 "RMS(OBS, PRED)" N 45 8.858 1
19 1 4 1 "RMS(OBS, PRED)" C 44 2.197 1
20 1 4 1 "RMS(OBS, PRED)" CA 54 7.246 1
21 1 4 1 "RMS(OBS, PRED)" CB 49 17.442 1
22 1 4 1 "RMS(OBS, PRED)" H 45 0.941 1
23 1 4 1 "RMS(OBS, PRED)" HA 42 0.701 1
24 1 4 1 "RMS(OBS, PRED)" N 45 8.424 1
25 1 5 1 "RMS(OBS, PRED)" C 44 2.158 1
26 1 5 1 "RMS(OBS, PRED)" CA 54 7.050 1
27 1 5 1 "RMS(OBS, PRED)" CB 49 17.860 1
28 1 5 1 "RMS(OBS, PRED)" H 45 0.974 1
29 1 5 1 "RMS(OBS, PRED)" HA 42 0.706 1
30 1 5 1 "RMS(OBS, PRED)" N 45 8.703 1
31 1 6 1 "RMS(OBS, PRED)" C 44 2.135 1
32 1 6 1 "RMS(OBS, PRED)" CA 54 7.482 1
33 1 6 1 "RMS(OBS, PRED)" CB 49 17.555 1
34 1 6 1 "RMS(OBS, PRED)" H 45 0.918 1
35 1 6 1 "RMS(OBS, PRED)" HA 42 0.747 1
36 1 6 1 "RMS(OBS, PRED)" N 45 8.476 1
37 1 7 1 "RMS(OBS, PRED)" C 44 2.256 1
38 1 7 1 "RMS(OBS, PRED)" CA 54 7.282 1
39 1 7 1 "RMS(OBS, PRED)" CB 49 17.550 1
40 1 7 1 "RMS(OBS, PRED)" H 45 0.918 1
41 1 7 1 "RMS(OBS, PRED)" HA 42 0.701 1
42 1 7 1 "RMS(OBS, PRED)" N 45 8.749 1
43 1 8 1 "RMS(OBS, PRED)" C 44 2.129 1
44 1 8 1 "RMS(OBS, PRED)" CA 54 7.140 1
45 1 8 1 "RMS(OBS, PRED)" CB 49 17.527 1
46 1 8 1 "RMS(OBS, PRED)" H 45 0.917 1
47 1 8 1 "RMS(OBS, PRED)" HA 42 0.715 1
48 1 8 1 "RMS(OBS, PRED)" N 45 8.473 1
49 1 9 1 "RMS(OBS, PRED)" C 44 2.279 1
50 1 9 1 "RMS(OBS, PRED)" CA 54 7.200 1
51 1 9 1 "RMS(OBS, PRED)" CB 49 17.696 1
52 1 9 1 "RMS(OBS, PRED)" H 45 0.930 1
53 1 9 1 "RMS(OBS, PRED)" HA 42 0.711 1
54 1 9 1 "RMS(OBS, PRED)" N 45 8.067 1
55 1 10 1 "RMS(OBS, PRED)" C 44 2.101 1
56 1 10 1 "RMS(OBS, PRED)" CA 54 7.423 1
57 1 10 1 "RMS(OBS, PRED)" CB 49 17.498 1
58 1 10 1 "RMS(OBS, PRED)" H 45 0.932 1
59 1 10 1 "RMS(OBS, PRED)" HA 42 0.726 1
60 1 10 1 "RMS(OBS, PRED)" N 45 8.820 1
61 1 11 1 "RMS(OBS, PRED)" C 44 2.288 1
62 1 11 1 "RMS(OBS, PRED)" CA 54 7.099 1
63 1 11 1 "RMS(OBS, PRED)" CB 49 17.814 1
64 1 11 1 "RMS(OBS, PRED)" H 45 0.984 1
65 1 11 1 "RMS(OBS, PRED)" HA 42 0.706 1
66 1 11 1 "RMS(OBS, PRED)" N 45 8.639 1
67 1 12 1 "RMS(OBS, PRED)" C 44 2.126 1
68 1 12 1 "RMS(OBS, PRED)" CA 54 7.215 1
69 1 12 1 "RMS(OBS, PRED)" CB 49 17.595 1
70 1 12 1 "RMS(OBS, PRED)" H 45 0.880 1
71 1 12 1 "RMS(OBS, PRED)" HA 42 0.721 1
72 1 12 1 "RMS(OBS, PRED)" N 45 8.538 1
73 1 13 1 "RMS(OBS, PRED)" C 44 2.236 1
74 1 13 1 "RMS(OBS, PRED)" CA 54 7.244 1
75 1 13 1 "RMS(OBS, PRED)" CB 49 17.555 1
76 1 13 1 "RMS(OBS, PRED)" H 45 0.897 1
77 1 13 1 "RMS(OBS, PRED)" HA 42 0.702 1
78 1 13 1 "RMS(OBS, PRED)" N 45 8.567 1
79 1 14 1 "RMS(OBS, PRED)" C 44 2.172 1
80 1 14 1 "RMS(OBS, PRED)" CA 54 7.466 1
81 1 14 1 "RMS(OBS, PRED)" CB 49 17.630 1
82 1 14 1 "RMS(OBS, PRED)" H 45 0.920 1
83 1 14 1 "RMS(OBS, PRED)" HA 42 0.739 1
84 1 14 1 "RMS(OBS, PRED)" N 45 8.530 1
85 1 15 1 "RMS(OBS, PRED)" C 44 2.169 1
86 1 15 1 "RMS(OBS, PRED)" CA 54 7.386 1
87 1 15 1 "RMS(OBS, PRED)" CB 49 17.855 1
88 1 15 1 "RMS(OBS, PRED)" H 45 0.933 1
89 1 15 1 "RMS(OBS, PRED)" HA 42 0.701 1
90 1 15 1 "RMS(OBS, PRED)" N 45 8.265 1
91 1 16 1 "RMS(OBS, PRED)" C 44 2.163 1
92 1 16 1 "RMS(OBS, PRED)" CA 54 6.986 1
93 1 16 1 "RMS(OBS, PRED)" CB 49 17.607 1
94 1 16 1 "RMS(OBS, PRED)" H 45 0.908 1
95 1 16 1 "RMS(OBS, PRED)" HA 42 0.695 1
96 1 16 1 "RMS(OBS, PRED)" N 45 8.387 1
97 1 17 1 "RMS(OBS, PRED)" C 44 2.285 1
98 1 17 1 "RMS(OBS, PRED)" CA 54 7.184 1
99 1 17 1 "RMS(OBS, PRED)" CB 49 17.867 1
100 1 17 1 "RMS(OBS, PRED)" H 45 0.937 1
101 1 17 1 "RMS(OBS, PRED)" HA 42 0.727 1
102 1 17 1 "RMS(OBS, PRED)" N 45 8.372 1
103 1 18 1 "RMS(OBS, PRED)" C 44 2.212 1
104 1 18 1 "RMS(OBS, PRED)" CA 54 7.326 1
105 1 18 1 "RMS(OBS, PRED)" CB 49 17.762 1
106 1 18 1 "RMS(OBS, PRED)" H 45 0.931 1
107 1 18 1 "RMS(OBS, PRED)" HA 42 0.739 1
108 1 18 1 "RMS(OBS, PRED)" N 45 8.889 1
109 1 19 1 "RMS(OBS, PRED)" C 44 2.390 1
110 1 19 1 "RMS(OBS, PRED)" CA 54 7.194 1
111 1 19 1 "RMS(OBS, PRED)" CB 49 17.913 1
112 1 19 1 "RMS(OBS, PRED)" H 45 0.911 1
113 1 19 1 "RMS(OBS, PRED)" HA 42 0.744 1
114 1 19 1 "RMS(OBS, PRED)" N 45 8.853 1
115 1 20 1 "RMS(OBS, PRED)" C 44 2.205 1
116 1 20 1 "RMS(OBS, PRED)" CA 54 7.308 1
117 1 20 1 "RMS(OBS, PRED)" CB 49 17.537 1
118 1 20 1 "RMS(OBS, PRED)" H 45 0.971 1
119 1 20 1 "RMS(OBS, PRED)" HA 42 0.695 1
120 1 20 1 "RMS(OBS, PRED)" N 45 8.426 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 3 . 1 1 A 4 4 MET H H 2 8.430 8.409 0.021 2
1 7 . 1 1 A 4 4 MET C C 2 176.000 173.776 2.224 2
1 8 . 1 1 A 4 4 MET CA C 2 55.400 58.500 -3.100 2
1 9 . 1 1 A 4 4 MET CB C 2 32.900 63.766 -30.866 2
1 11 . 1 1 A 4 4 MET N N 2 120.500 116.568 3.932 2
1 12 . 1 1 A 5 5 SER H H 3 8.400 8.591 -0.191 2
1 13 . 1 1 A 5 5 SER HA H 3 4.500 4.880 -0.380 2
1 16 . 1 1 A 5 5 SER C C 3 174.700 174.186 0.514 2
1 17 . 1 1 A 5 5 SER CA C 3 58.400 55.146 3.254 2
1 18 . 1 1 A 5 5 SER CB C 3 63.800 30.733 33.067 2
1 19 . 1 1 A 5 5 SER N N 3 117.300 122.899 -5.599 2
1 20 . 1 1 A 6 6 THR H H 4 8.210 8.573 -0.363 2
1 21 . 1 1 A 6 6 THR HA H 4 4.330 4.652 -0.322 2
1 26 . 1 1 A 6 6 THR C C 4 174.000 175.208 -1.208 2
1 27 . 1 1 A 6 6 THR CA C 4 61.900 54.535 7.365 2
1 28 . 1 1 A 6 6 THR CB C 4 69.900 33.223 36.677 2
1 30 . 1 1 A 6 6 THR N N 4 115.400 122.281 -6.881 2
1 31 . 1 1 A 7 7 ASN H H 5 8.440 8.567 -0.127 2
1 32 . 1 1 A 7 7 ASN HA H 5 4.950 4.737 0.213 2
1 37 . 1 1 A 7 7 ASN CA C 5 50.900 58.119 -7.219 2
1 38 . 1 1 A 7 7 ASN CB C 5 39.000 63.545 -24.545 2
1 39 . 1 1 A 7 7 ASN N N 5 121.600 119.278 2.322 2
1 41 . 1 1 A 8 8 PRO HA H 6 4.310 4.575 -0.265 2
1 48 . 1 1 A 8 8 PRO C C 6 177.100 173.716 3.384 2
1 49 . 1 1 A 8 8 PRO CA C 6 64.000 62.290 1.710 2
1 50 . 1 1 A 8 8 PRO CB C 6 32.100 69.665 -37.565 2
1 53 . 1 1 A 9 9 PHE H H 7 8.020 8.459 -0.439 2
1 54 . 1 1 A 9 9 PHE HA H 7 4.480 5.033 -0.553 2
1 59 . 1 1 A 9 9 PHE CA C 7 58.300 50.177 8.123 2
1 60 . 1 1 A 9 9 PHE CB C 7 38.800 39.253 -0.453 2
1 63 . 1 1 A 9 9 PHE N N 7 117.200 123.541 -6.341 2
1 64 . 1 1 A 12 12 ASP C C 10 176.700 175.144 1.556 2
1 65 . 1 1 A 12 12 ASP CA C 10 54.800 53.672 1.128 2
1 66 . 1 1 A 12 12 ASP CB C 10 41.000 42.307 -1.307 2
1 67 . 1 1 A 13 13 ASN H H 11 8.490 8.462 0.028 2
1 70 . 1 1 A 13 13 ASN C C 11 175.700 174.967 0.733 2
1 71 . 1 1 A 13 13 ASN CA C 11 53.400 53.544 -0.144 2
1 72 . 1 1 A 13 13 ASN CB C 11 39.200 42.104 -2.904 2
1 73 . 1 1 A 13 13 ASN N N 11 118.500 122.054 -3.554 2
1 75 . 1 1 A 14 14 GLY H H 12 8.200 8.615 -0.415 2
1 78 . 1 1 A 14 14 GLY C C 12 172.200 175.837 -3.637 2
1 79 . 1 1 A 14 14 GLY CA C 12 45.200 53.984 -8.784 2
1 80 . 1 1 A 14 14 GLY N N 12 108.500 123.379 -14.879 2
1 81 . 1 1 A 15 15 ALA H H 13 7.670 8.493 -0.823 2
1 82 . 1 1 A 15 15 ALA HA H 13 4.600 4.879 -0.279 2
1 86 . 1 1 A 15 15 ALA C C 13 176.500 175.083 1.417 2
1 87 . 1 1 A 15 15 ALA CA C 13 51.400 52.839 -1.439 2
1 88 . 1 1 A 15 15 ALA CB C 13 21.000 39.610 -18.610 2
1 89 . 1 1 A 15 15 ALA N N 13 122.600 120.439 2.161 2
1 90 . 1 1 A 16 16 PHE H H 14 9.350 8.264 1.086 2
1 98 . 1 1 A 16 16 PHE C C 14 174.300 172.892 1.408 2
1 99 . 1 1 A 16 16 PHE CA C 14 57.600 45.574 12.026 2
1 105 . 1 1 A 16 16 PHE N N 14 120.000 108.828 11.172 2
1 106 . 1 1 A 17 17 PHE H H 15 9.550 8.152 1.398 2
1 107 . 1 1 A 17 17 PHE HA H 15 5.600 4.183 1.417 2
1 112 . 1 1 A 17 17 PHE C C 15 177.700 176.720 0.980 2
1 113 . 1 1 A 17 17 PHE CA C 15 55.900 51.347 4.553 2
1 114 . 1 1 A 17 17 PHE CB C 15 44.100 20.462 23.638 2
1 117 . 1 1 A 17 17 PHE N N 15 115.700 124.423 -8.723 2
1 118 . 1 1 A 18 18 VAL H H 16 8.670 8.037 0.633 2
1 119 . 1 1 A 18 18 VAL HA H 16 4.220 5.663 -1.443 2
1 127 . 1 1 A 18 18 VAL C C 16 175.200 173.427 1.773 2
1 128 . 1 1 A 18 18 VAL CA C 16 62.700 55.574 7.126 2
1 129 . 1 1 A 18 18 VAL CB C 16 32.700 42.518 -9.818 2
1 132 . 1 1 A 18 18 VAL N N 16 117.200 116.753 0.447 2
1 133 . 1 1 A 19 19 LEU H H 17 9.500 9.788 -0.288 2
1 134 . 1 1 A 19 19 LEU HA H 17 5.730 5.349 0.381 2
1 144 . 1 1 A 19 19 LEU C C 17 176.700 175.421 1.279 2
1 145 . 1 1 A 19 19 LEU CA C 17 52.100 56.698 -4.598 2
1 146 . 1 1 A 19 19 LEU CB C 17 46.800 42.686 4.114 2
1 150 . 1 1 A 19 19 LEU N N 17 127.100 118.768 8.332 2
1 151 . 1 1 A 20 20 VAL H H 18 9.170 9.029 0.141 2
1 152 . 1 1 A 20 20 VAL HA H 18 5.710 4.558 1.152 2
1 160 . 1 1 A 20 20 VAL C C 18 174.800 174.908 -0.108 2
1 161 . 1 1 A 20 20 VAL CA C 18 59.300 62.742 -3.442 2
1 162 . 1 1 A 20 20 VAL CB C 18 36.700 31.208 5.492 2
1 165 . 1 1 A 20 20 VAL N N 18 115.900 122.143 -6.243 2
1 166 . 1 1 A 21 21 ASN H H 19 7.320 9.265 -1.945 2
1 167 . 1 1 A 21 21 ASN HA H 19 4.720 5.366 -0.646 2
1 170 . 1 1 A 21 21 ASN C C 19 177.700 174.885 2.815 2
1 171 . 1 1 A 21 21 ASN CA C 19 49.700 53.563 -3.863 2
1 172 . 1 1 A 21 21 ASN CB C 19 37.500 45.202 -7.702 2
1 173 . 1 1 A 21 21 ASN N N 19 122.600 130.080 -7.480 2
1 174 . 1 1 A 22 22 ASP H H 20 8.240 9.273 -1.033 2
1 175 . 1 1 A 22 22 ASP HA H 20 4.400 4.798 -0.398 2
1 178 . 1 1 A 22 22 ASP C C 20 176.600 174.497 2.103 2
1 179 . 1 1 A 22 22 ASP CA C 20 56.400 60.781 -4.381 2
1 180 . 1 1 A 22 22 ASP CB C 20 40.100 34.801 5.299 2
1 181 . 1 1 A 22 22 ASP N N 20 117.500 126.512 -9.012 2
1 182 . 1 1 A 23 23 GLU H H 21 7.220 8.716 -1.496 2
1 183 . 1 1 A 23 23 GLU HA H 21 4.380 5.161 -0.781 2
1 188 . 1 1 A 23 23 GLU C C 21 175.500 175.784 -0.284 2
1 189 . 1 1 A 23 23 GLU CA C 21 55.600 51.902 3.698 2
1 190 . 1 1 A 23 23 GLU CB C 21 29.500 40.676 -11.176 2
1 192 . 1 1 A 23 23 GLU N N 21 118.100 125.171 -7.071 2
1 193 . 1 1 A 24 24 ASP H H 22 8.030 8.870 -0.840 2
1 194 . 1 1 A 24 24 ASP HA H 22 4.280 4.317 -0.037 2
1 197 . 1 1 A 24 24 ASP CA C 22 56.200 57.285 -1.085 2
1 198 . 1 1 A 24 24 ASP CB C 22 40.000 40.637 -0.637 2
1 199 . 1 1 A 24 24 ASP N N 22 115.700 124.534 -8.834 2
1 200 . 1 1 A 25 25 GLN H H 23 7.710 7.874 -0.164 2
1 201 . 1 1 A 25 25 GLN HA H 23 4.270 4.419 -0.149 2
1 206 . 1 1 A 25 25 GLN C C 23 175.300 174.988 0.312 2
1 207 . 1 1 A 25 25 GLN CA C 23 55.200 56.052 -0.852 2
1 208 . 1 1 A 25 25 GLN CB C 23 29.400 29.956 -0.556 2
1 209 . 1 1 A 25 25 GLN N N 23 116.800 115.731 1.069 2
1 210 . 1 1 A 26 26 HIS H H 24 8.870 7.723 1.147 2
1 211 . 1 1 A 26 26 HIS HA H 24 6.030 4.899 1.131 2
1 214 . 1 1 A 26 26 HIS CA C 24 54.400 52.672 1.728 2
1 215 . 1 1 A 26 26 HIS CB C 24 32.700 43.212 -10.512 2
1 216 . 1 1 A 26 26 HIS N N 24 113.400 121.070 -7.670 2
1 219 . 1 1 A 27 27 SER CB C 25 66.800 30.227 36.573 2
1 220 . 1 1 A 28 28 LEU HA H 26 5.430 5.003 0.427 2
1 230 . 1 1 A 28 28 LEU CA C 26 56.100 54.815 1.285 2
1 231 . 1 1 A 28 28 LEU CB C 26 43.600 31.983 11.617 2
1 235 . 1 1 A 29 29 TRP HA H 27 5.320 5.068 0.252 2
1 242 . 1 1 A 29 29 TRP CA C 27 54.100 57.709 -3.609 2
1 243 . 1 1 A 29 29 TRP CB C 27 36.000 65.825 -29.825 2
1 248 . 1 1 A 30 30 PRO C C 28 177.500 175.392 2.108 2
1 249 . 1 1 A 30 30 PRO CA C 28 62.400 54.084 8.316 2
1 250 . 1 1 A 30 30 PRO CB C 28 31.700 41.846 -10.146 2
1 253 . 1 1 A 31 31 VAL H H 29 7.000 9.083 -2.083 2
1 254 . 1 1 A 31 31 VAL HA H 29 3.710 5.403 -1.693 2
1 262 . 1 1 A 31 31 VAL CA C 29 63.600 54.907 8.693 2
1 263 . 1 1 A 31 31 VAL CB C 29 31.200 32.009 -0.809 2
1 266 . 1 1 A 31 31 VAL N N 29 114.100 128.096 -13.996 2
1 270 . 1 1 A 33 33 ALA C C 31 177.500 176.821 0.679 2
1 271 . 1 1 A 33 33 ALA CA C 31 50.900 63.357 -12.457 2
1 272 . 1 1 A 33 33 ALA CB C 31 20.200 31.304 -11.104 2
1 273 . 1 1 A 34 34 ASP H H 32 8.830 7.902 0.928 2
1 274 . 1 1 A 34 34 ASP HA H 32 4.500 4.250 0.250 2
1 277 . 1 1 A 34 34 ASP C C 32 176.900 174.811 2.089 2
1 278 . 1 1 A 34 34 ASP CA C 32 55.200 59.697 -4.497 2
1 279 . 1 1 A 34 34 ASP CB C 32 40.400 39.572 0.828 2
1 280 . 1 1 A 34 34 ASP N N 32 124.600 122.499 2.101 2
1 281 . 1 1 A 35 35 ILE H H 33 8.590 7.298 1.292 2
1 282 . 1 1 A 35 35 ILE HA H 33 3.610 4.453 -0.843 2
1 292 . 1 1 A 35 35 ILE C C 33 176.100 176.425 -0.325 2
1 293 . 1 1 A 35 35 ILE CA C 33 58.600 50.498 8.102 2
1 294 . 1 1 A 35 35 ILE CB C 33 37.600 21.192 16.408 2
1 298 . 1 1 A 35 35 ILE N N 33 125.200 120.504 4.696 2
1 299 . 1 1 A 36 36 PRO HA H 34 4.290 4.767 -0.477 2
1 306 . 1 1 A 36 36 PRO C C 34 179.400 176.144 3.256 2
1 307 . 1 1 A 36 36 PRO CA C 34 62.600 54.491 8.109 2
1 308 . 1 1 A 36 36 PRO CB C 34 31.600 41.468 -9.868 2
1 311 . 1 1 A 37 37 ALA H H 35 8.300 8.539 -0.239 2
1 312 . 1 1 A 37 37 ALA HA H 35 4.190 4.360 -0.170 2
1 316 . 1 1 A 37 37 ALA CA C 35 53.600 58.153 -4.553 2
1 317 . 1 1 A 37 37 ALA CB C 35 18.400 38.224 -19.824 2
1 318 . 1 1 A 37 37 ALA N N 35 123.600 124.980 -1.380 2
1 322 . 1 1 A 38 38 GLY C C 36 174.000 175.720 -1.720 2
1 323 . 1 1 A 38 38 GLY CA C 36 45.000 63.274 -18.274 2
1 324 . 1 1 A 38 38 GLY N N 36 110.200 142.050 -31.850 2
1 325 . 1 1 A 39 39 TRP H H 37 7.700 8.255 -0.555 2
1 326 . 1 1 A 39 39 TRP HA H 37 4.900 4.898 0.002 2
1 331 . 1 1 A 39 39 TRP C C 37 175.000 177.387 -2.387 2
1 332 . 1 1 A 39 39 TRP CA C 37 56.000 51.440 4.560 2
1 333 . 1 1 A 39 39 TRP CB C 37 31.800 21.892 9.908 2
1 335 . 1 1 A 39 39 TRP N N 37 120.800 120.155 0.645 2
1 337 . 1 1 A 40 40 ARG H H 38 9.050 8.575 0.475 2
1 344 . 1 1 A 40 40 ARG C C 38 174.900 173.897 1.003 2
1 345 . 1 1 A 40 40 ARG CA C 38 54.000 46.048 7.952 2
1 349 . 1 1 A 40 40 ARG N N 38 118.200 109.150 9.050 2
1 350 . 1 1 A 41 41 VAL H H 39 8.660 7.295 1.365 2
1 351 . 1 1 A 41 41 VAL HA H 39 4.040 5.109 -1.069 2
1 359 . 1 1 A 41 41 VAL C C 39 178.000 174.724 3.276 2
1 360 . 1 1 A 41 41 VAL CA C 39 63.800 55.326 8.474 2
1 361 . 1 1 A 41 41 VAL CB C 39 32.400 32.446 -0.046 2
1 364 . 1 1 A 41 41 VAL N N 39 122.700 118.644 4.056 2
1 365 . 1 1 A 42 42 VAL H H 40 9.090 9.009 0.081 2
1 366 . 1 1 A 42 42 VAL HA H 40 4.740 5.012 -0.272 2
1 374 . 1 1 A 42 42 VAL C C 40 174.800 174.791 0.009 2
1 375 . 1 1 A 42 42 VAL CA C 40 61.000 54.954 6.046 2
1 376 . 1 1 A 42 42 VAL CB C 40 34.100 33.716 0.384 2
1 379 . 1 1 A 42 42 VAL N N 40 119.800 120.669 -0.869 2
1 380 . 1 1 A 43 43 HIS H H 41 7.700 9.232 -1.532 2
1 381 . 1 1 A 43 43 HIS HA H 41 4.530 4.397 0.133 2
1 384 . 1 1 A 43 43 HIS C C 41 173.400 175.643 -2.243 2
1 385 . 1 1 A 43 43 HIS CA C 41 57.500 63.329 -5.829 2
1 386 . 1 1 A 43 43 HIS CB C 41 32.800 31.576 1.224 2
1 387 . 1 1 A 43 43 HIS N N 41 119.700 126.845 -7.145 2
1 388 . 1 1 A 44 44 GLY H H 42 7.590 9.097 -1.507 2
1 391 . 1 1 A 44 44 GLY C C 42 174.600 175.993 -1.393 2
1 392 . 1 1 A 44 44 GLY CA C 42 42.400 63.983 -21.583 2
1 393 . 1 1 A 44 44 GLY N N 42 112.000 128.435 -16.435 2
1 394 . 1 1 A 45 45 GLU H H 43 8.700 7.509 1.191 2
1 395 . 1 1 A 45 45 GLU HA H 43 4.120 4.836 -0.716 2
1 400 . 1 1 A 45 45 GLU C C 43 175.200 174.012 1.188 2
1 401 . 1 1 A 45 45 GLU CA C 43 56.900 55.099 1.801 2
1 402 . 1 1 A 45 45 GLU CB C 43 30.900 32.891 -1.991 2
1 404 . 1 1 A 45 45 GLU N N 43 121.700 117.218 4.482 2
1 405 . 1 1 A 46 46 ALA H H 44 9.400 8.232 1.168 2
1 409 . 1 1 A 46 46 ALA C C 44 175.100 172.691 2.409 2
1 410 . 1 1 A 46 46 ALA CA C 44 51.100 43.740 7.360 2
1 412 . 1 1 A 46 46 ALA N N 44 127.000 110.727 16.273 2
1 413 . 1 1 A 47 47 SER H H 45 8.710 7.995 0.715 2
1 414 . 1 1 A 47 47 SER HA H 45 4.730 5.009 -0.279 2
1 417 . 1 1 A 47 47 SER C C 45 175.000 176.076 -1.076 2
1 418 . 1 1 A 47 47 SER CA C 45 57.900 55.652 2.248 2
1 419 . 1 1 A 47 47 SER CB C 45 64.900 29.678 35.222 2
1 420 . 1 1 A 47 47 SER N N 45 115.300 118.990 -3.690 2
1 421 . 1 1 A 48 48 ARG H H 46 9.520 8.314 1.206 2
1 422 . 1 1 A 48 48 ARG HA H 46 3.390 4.986 -1.596 2
1 429 . 1 1 A 48 48 ARG C C 46 178.300 176.929 1.371 2
1 430 . 1 1 A 48 48 ARG CA C 46 61.000 50.279 10.721 2
1 431 . 1 1 A 48 48 ARG CB C 46 30.100 22.969 7.131 2
1 434 . 1 1 A 48 48 ARG N N 46 123.400 127.181 -3.781 2
1 435 . 1 1 A 49 49 ALA H H 47 8.620 8.530 0.090 2
1 436 . 1 1 A 49 49 ALA HA H 47 3.970 4.552 -0.582 2
1 440 . 1 1 A 49 49 ALA C C 47 180.500 174.982 5.518 2
1 441 . 1 1 A 49 49 ALA CA C 47 55.400 60.088 -4.688 2
1 442 . 1 1 A 49 49 ALA CB C 47 18.200 63.772 -45.572 2
1 443 . 1 1 A 49 49 ALA N N 47 118.800 115.360 3.440 2
1 444 . 1 1 A 50 50 ALA H H 48 8.130 8.903 -0.773 2
1 445 . 1 1 A 50 50 ALA HA H 48 4.260 3.453 0.807 2
1 449 . 1 1 A 50 50 ALA C C 48 182.500 177.899 4.601 2
1 450 . 1 1 A 50 50 ALA CA C 48 54.900 59.679 -4.779 2
1 451 . 1 1 A 50 50 ALA CB C 48 19.100 29.383 -10.283 2
1 452 . 1 1 A 50 50 ALA N N 48 122.100 125.889 -3.789 2
1 453 . 1 1 A 51 51 CYS H H 49 8.530 8.009 0.521 2
1 454 . 1 1 A 51 51 CYS HA H 49 4.070 4.072 -0.001 2
1 457 . 1 1 A 51 51 CYS C C 49 176.800 180.066 -3.266 2
1 458 . 1 1 A 51 51 CYS CA C 49 65.000 54.949 10.051 2
1 459 . 1 1 A 51 51 CYS CB C 49 27.100 18.046 9.054 2
1 460 . 1 1 A 51 51 CYS N N 49 119.000 120.457 -1.457 2
1 461 . 1 1 A 52 52 LEU H H 50 8.660 8.034 0.626 2
1 462 . 1 1 A 52 52 LEU HA H 50 3.990 4.081 -0.091 2
1 472 . 1 1 A 52 52 LEU C C 50 179.800 179.520 0.279 2
1 473 . 1 1 A 52 52 LEU CA C 50 58.200 55.006 3.194 2
1 474 . 1 1 A 52 52 LEU CB C 50 41.000 18.227 22.773 2
1 478 . 1 1 A 52 52 LEU N N 50 121.100 119.644 1.456 2
1 479 . 1 1 A 53 53 ASP H H 51 8.020 8.210 -0.190 2
1 480 . 1 1 A 53 53 ASP HA H 51 4.370 4.055 0.315 2
1 483 . 1 1 A 53 53 ASP C C 51 177.500 177.159 0.341 2
1 484 . 1 1 A 53 53 ASP CA C 51 57.500 63.871 -6.371 2
1 485 . 1 1 A 53 53 ASP CB C 51 41.500 27.292 14.208 2
1 486 . 1 1 A 53 53 ASP N N 51 120.300 116.121 4.179 2
1 487 . 1 1 A 54 54 TYR H H 52 7.760 8.403 -0.643 2
1 488 . 1 1 A 54 54 TYR HA H 52 3.770 3.856 -0.086 2
1 495 . 1 1 A 54 54 TYR C C 52 179.000 178.468 0.532 2
1 496 . 1 1 A 54 54 TYR CA C 52 62.300 58.091 4.209 2
1 497 . 1 1 A 54 54 TYR CB C 52 37.700 41.518 -3.818 2
1 502 . 1 1 A 54 54 TYR N N 52 119.700 120.477 -0.777 2
1 503 . 1 1 A 55 55 VAL H H 53 8.250 8.487 -0.237 2
1 504 . 1 1 A 55 55 VAL HA H 53 3.580 4.241 -0.661 2
1 512 . 1 1 A 55 55 VAL C C 53 177.700 177.733 -0.034 2
1 513 . 1 1 A 55 55 VAL CA C 53 66.800 57.265 9.535 2
1 514 . 1 1 A 55 55 VAL CB C 53 31.900 41.595 -9.695 2
1 517 . 1 1 A 55 55 VAL N N 53 120.200 119.011 1.189 2
1 518 . 1 1 A 56 56 GLU H H 54 8.170 8.291 -0.121 2
1 519 . 1 1 A 56 56 GLU HA H 54 4.010 4.118 -0.108 2
1 524 . 1 1 A 56 56 GLU C C 54 178.700 177.764 0.936 2
1 525 . 1 1 A 56 56 GLU CA C 54 59.200 61.341 -2.141 2
1 526 . 1 1 A 56 56 GLU CB C 54 29.600 38.692 -9.092 2
1 528 . 1 1 A 56 56 GLU N N 54 119.600 120.853 -1.253 2
1 529 . 1 1 A 57 57 LYS H H 55 7.800 8.178 -0.378 2
1 530 . 1 1 A 57 57 LYS HA H 55 4.040 3.524 0.516 2
1 539 . 1 1 A 57 57 LYS C C 55 177.900 177.990 -0.090 2
1 540 . 1 1 A 57 57 LYS CA C 55 57.900 66.369 -8.469 2
1 541 . 1 1 A 57 57 LYS CB C 55 33.300 31.422 1.878 2
1 545 . 1 1 A 57 57 LYS N N 55 115.700 119.003 -3.303 2
1 546 . 1 1 A 58 58 ASN H H 56 7.570 8.281 -0.711 2
1 547 . 1 1 A 58 58 ASN HA H 56 4.490 3.962 0.527 2
1 552 . 1 1 A 58 58 ASN C C 56 174.300 179.065 -4.765 2
1 553 . 1 1 A 58 58 ASN CA C 56 54.700 59.223 -4.523 2
1 554 . 1 1 A 58 58 ASN CB C 56 40.100 29.174 10.926 2
1 555 . 1 1 A 58 58 ASN N N 56 115.000 121.459 -6.459 2
1 557 . 1 1 A 59 59 TRP H H 57 8.120 7.983 0.137 2
1 562 . 1 1 A 59 59 TRP CA C 57 57.800 58.503 -0.703 2
1 563 . 1 1 A 59 59 TRP CB C 57 29.800 32.214 -2.414 2
1 564 . 1 1 A 59 59 TRP N N 57 121.400 119.315 2.085 2
1 566 . 1 1 A 64 64 PRO HA H 62 4.410 4.516 -0.106 2
1 571 . 1 1 A 64 64 PRO C C 62 176.200 176.086 0.114 2
1 572 . 1 1 A 64 64 PRO CA C 62 63.300 54.768 8.532 2
1 573 . 1 1 A 64 64 PRO CB C 62 32.100 42.510 -10.410 2
1 576 . 1 1 A 65 65 LYS H H 63 8.030 8.158 -0.128 2
1 577 . 1 1 A 65 65 LYS HA H 63 4.130 4.716 -0.586 2
1 580 . 1 1 A 65 65 LYS CA C 63 57.700 53.579 4.121 2
1 581 . 1 1 A 65 65 LYS CB C 63 33.600 31.640 1.960 2
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