data_16118_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16118
_Entry.PDB_ID 2KDN
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 11 11 SER HA H 11 4.510 4.278 0.232 1
1 4 . 1 1 1 A 11 11 SER C C 11 174.600 174.628 -0.028 1
1 5 . 1 1 1 A 11 11 SER CA C 11 58.400 62.664 -4.264 1
1 6 . 1 1 1 A 11 11 SER CB C 11 63.800 63.118 0.682 1
1 7 . 1 1 1 A 12 12 SER H H 12 8.630 7.836 0.794 1
1 8 . 1 1 1 A 12 12 SER HA H 12 4.500 4.061 0.439 1
1 11 . 1 1 1 A 12 12 SER C C 12 175.000 174.366 0.634 1
1 12 . 1 1 1 A 12 12 SER CA C 12 58.600 59.396 -0.796 1
1 13 . 1 1 1 A 12 12 SER CB C 12 63.900 61.169 2.731 1
1 14 . 1 1 1 A 12 12 SER N N 12 118.300 112.742 5.558 1
1 15 . 1 1 1 A 13 13 GLY H H 13 8.560 8.594 -0.034 1
1 16 . 1 1 1 A 13 13 GLY HA2 H 13 4.050 4.091 -0.041 1
1 17 . 1 1 1 A 13 13 GLY HA3 H 13 4.050 4.094 -0.044 1
1 18 . 1 1 1 A 13 13 GLY C C 13 174.300 175.504 -1.204 1
1 19 . 1 1 1 A 13 13 GLY CA C 13 45.400 45.635 -0.235 1
1 20 . 1 1 1 A 13 13 GLY N N 13 111.000 106.151 4.849 1
1 21 . 1 1 1 A 14 14 ARG H H 14 8.260 8.369 -0.109 1
1 22 . 1 1 1 A 14 14 ARG HA H 14 4.320 4.421 -0.101 1
1 29 . 1 1 1 A 14 14 ARG C C 14 176.400 177.698 -1.298 1
1 30 . 1 1 1 A 14 14 ARG CA C 14 56.300 57.533 -1.233 1
1 31 . 1 1 1 A 14 14 ARG CB C 14 30.600 31.084 -0.484 1
1 34 . 1 1 1 A 14 14 ARG N N 14 120.400 121.247 -0.847 1
1 35 . 1 1 1 A 15 15 GLU H H 15 8.660 8.293 0.367 1
1 36 . 1 1 1 A 15 15 GLU HA H 15 4.210 4.308 -0.098 1
1 41 . 1 1 1 A 15 15 GLU C C 15 176.200 177.032 -0.832 1
1 42 . 1 1 1 A 15 15 GLU CA C 15 57.200 56.570 0.630 1
1 43 . 1 1 1 A 15 15 GLU CB C 15 29.700 28.889 0.811 1
1 45 . 1 1 1 A 15 15 GLU N N 15 121.100 117.225 3.875 1
1 46 . 1 1 1 A 16 16 ASN H H 16 8.420 8.727 -0.307 1
1 47 . 1 1 1 A 16 16 ASN HA H 16 4.680 4.582 0.098 1
1 52 . 1 1 1 A 16 16 ASN C C 16 175.100 176.072 -0.972 1
1 53 . 1 1 1 A 16 16 ASN CA C 16 53.300 54.143 -0.843 1
1 54 . 1 1 1 A 16 16 ASN CB C 16 38.700 36.941 1.759 1
1 55 . 1 1 1 A 16 16 ASN N N 16 118.900 119.108 -0.208 1
1 57 . 1 1 1 A 17 17 LEU H H 17 8.110 7.643 0.467 1
1 58 . 1 1 1 A 17 17 LEU HA H 17 4.210 4.225 -0.015 1
1 68 . 1 1 1 A 17 17 LEU C C 17 177.000 176.921 0.079 1
1 69 . 1 1 1 A 17 17 LEU CA C 17 55.600 55.788 -0.188 1
1 70 . 1 1 1 A 17 17 LEU CB C 17 42.200 42.556 -0.356 1
1 74 . 1 1 1 A 17 17 LEU N N 17 121.900 118.100 3.800 1
1 75 . 1 1 1 A 18 18 TYR H H 18 8.070 7.436 0.634 1
1 76 . 1 1 1 A 18 18 TYR HA H 18 4.530 4.892 -0.362 1
1 83 . 1 1 1 A 18 18 TYR C C 18 175.700 176.098 -0.398 1
1 84 . 1 1 1 A 18 18 TYR CA C 18 58.000 57.269 0.731 1
1 85 . 1 1 1 A 18 18 TYR CB C 18 38.700 39.813 -1.113 1
1 90 . 1 1 1 A 18 18 TYR N N 18 119.500 118.221 1.279 1
1 91 . 1 1 1 A 19 19 PHE H H 19 8.120 8.607 -0.487 1
1 92 . 1 1 1 A 19 19 PHE HA H 19 4.560 4.695 -0.135 1
1 99 . 1 1 1 A 19 19 PHE C C 19 175.500 175.996 -0.496 1
1 100 . 1 1 1 A 19 19 PHE CA C 19 57.900 57.688 0.212 1
1 101 . 1 1 1 A 19 19 PHE CB C 19 39.500 39.381 0.119 1
1 106 . 1 1 1 A 19 19 PHE N N 19 121.200 120.370 0.830 1
1 107 . 1 1 1 A 20 20 GLN H H 20 8.300 7.700 0.600 1
1 108 . 1 1 1 A 20 20 GLN HA H 20 4.200 4.281 -0.081 1
1 115 . 1 1 1 A 20 20 GLN C C 20 176.000 176.665 -0.665 1
1 116 . 1 1 1 A 20 20 GLN CA C 20 56.100 55.502 0.598 1
1 117 . 1 1 1 A 20 20 GLN CB C 20 29.100 29.074 0.026 1
1 119 . 1 1 1 A 20 20 GLN N N 20 121.700 119.630 2.070 1
1 121 . 1 1 1 A 21 21 GLY H H 21 7.970 8.290 -0.320 1
1 122 . 1 1 1 A 21 21 GLY HA2 H 21 3.940 3.959 -0.019 1
1 123 . 1 1 1 A 21 21 GLY HA3 H 21 3.830 3.994 -0.164 1
1 124 . 1 1 1 A 21 21 GLY CA C 21 45.400 45.378 0.022 1
1 125 . 1 1 1 A 21 21 GLY N N 21 108.500 108.846 -0.346 1
1 126 . 1 1 1 A 22 22 HIS H H 22 8.280 7.774 0.506 1
1 127 . 1 1 1 A 22 22 HIS C C 22 174.000 175.322 -1.322 1
1 128 . 1 1 1 A 22 22 HIS CA C 22 56.000 55.862 0.138 1
1 129 . 1 1 1 A 22 22 HIS CB C 22 29.900 30.730 -0.830 1
1 130 . 1 1 1 A 22 22 HIS N N 22 118.700 120.416 -1.716 1
1 134 . 1 1 1 A 23 23 MET C C 23 175.900 176.514 -0.614 1
1 135 . 1 1 1 A 23 23 MET CB C 23 32.700 32.174 0.526 1
1 137 . 1 1 1 A 24 24 CYS H H 24 8.390 8.570 -0.180 1
1 138 . 1 1 1 A 24 24 CYS HA H 24 4.620 4.789 -0.169 1
1 141 . 1 1 1 A 24 24 CYS C C 24 175.400 174.599 0.801 1
1 142 . 1 1 1 A 24 24 CYS CA C 24 58.000 57.541 0.459 1
1 143 . 1 1 1 A 24 24 CYS CB C 24 27.900 30.905 -3.005 1
1 144 . 1 1 1 A 24 24 CYS N N 24 120.600 121.787 -1.187 1
1 145 . 1 1 1 A 25 25 ILE H H 25 8.550 8.611 -0.061 1
1 146 . 1 1 1 A 25 25 ILE HA H 25 4.010 3.863 0.147 1
1 156 . 1 1 1 A 25 25 ILE C C 25 176.200 176.886 -0.686 1
1 157 . 1 1 1 A 25 25 ILE CA C 25 63.400 64.120 -0.720 1
1 158 . 1 1 1 A 25 25 ILE CB C 25 38.100 37.779 0.321 1
1 162 . 1 1 1 A 25 25 ILE N N 25 124.600 126.250 -1.650 1
1 163 . 1 1 1 A 26 26 GLN H H 26 8.860 8.218 0.642 1
1 164 . 1 1 1 A 26 26 GLN HA H 26 3.340 3.609 -0.269 1
1 171 . 1 1 1 A 26 26 GLN C C 26 176.800 177.892 -1.092 1
1 172 . 1 1 1 A 26 26 GLN CA C 26 60.200 59.014 1.186 1
1 173 . 1 1 1 A 26 26 GLN CB C 26 27.800 28.147 -0.347 1
1 175 . 1 1 1 A 26 26 GLN N N 26 121.900 120.889 1.011 1
1 177 . 1 1 1 A 27 27 LYS H H 27 7.340 7.657 -0.317 1
1 178 . 1 1 1 A 27 27 LYS HA H 27 4.070 4.057 0.013 1
1 181 . 1 1 1 A 27 27 LYS C C 27 177.900 178.634 -0.734 1
1 182 . 1 1 1 A 27 27 LYS CA C 27 58.300 58.999 -0.699 1
1 183 . 1 1 1 A 27 27 LYS CB C 27 31.800 32.573 -0.773 1
1 187 . 1 1 1 A 27 27 LYS N N 27 117.700 119.594 -1.894 1
1 188 . 1 1 1 A 28 28 VAL H H 28 7.570 7.414 0.156 1
1 189 . 1 1 1 A 28 28 VAL HA H 28 3.680 3.577 0.103 1
1 197 . 1 1 1 A 28 28 VAL C C 28 178.600 177.904 0.696 1
1 198 . 1 1 1 A 28 28 VAL CA C 28 66.400 66.249 0.151 1
1 199 . 1 1 1 A 28 28 VAL CB C 28 31.800 31.602 0.198 1
1 202 . 1 1 1 A 28 28 VAL N N 28 119.900 118.790 1.110 1
1 203 . 1 1 1 A 29 29 ILE H H 29 8.180 7.880 0.300 1
1 204 . 1 1 1 A 29 29 ILE HA H 29 3.290 3.548 -0.258 1
1 212 . 1 1 1 A 29 29 ILE C C 29 177.500 178.073 -0.573 1
1 213 . 1 1 1 A 29 29 ILE CA C 29 65.900 65.753 0.147 1
1 214 . 1 1 1 A 29 29 ILE CB C 29 37.600 37.642 -0.042 1
1 218 . 1 1 1 A 29 29 ILE N N 29 118.500 119.090 -0.590 1
1 219 . 1 1 1 A 30 30 GLU H H 30 8.370 8.287 0.083 1
1 220 . 1 1 1 A 30 30 GLU HA H 30 3.610 3.741 -0.131 1
1 225 . 1 1 1 A 30 30 GLU C C 30 179.000 178.470 0.530 1
1 226 . 1 1 1 A 30 30 GLU CA C 30 60.400 59.886 0.514 1
1 227 . 1 1 1 A 30 30 GLU CB C 30 29.600 29.090 0.510 1
1 229 . 1 1 1 A 30 30 GLU N N 30 119.200 120.635 -1.435 1
1 230 . 1 1 1 A 31 31 ASP H H 31 8.710 8.116 0.594 1
1 231 . 1 1 1 A 31 31 ASP HA H 31 4.370 4.171 0.199 1
1 234 . 1 1 1 A 31 31 ASP CA C 31 57.600 57.156 0.444 1
1 235 . 1 1 1 A 31 31 ASP CB C 31 40.200 41.038 -0.838 1
1 236 . 1 1 1 A 31 31 ASP N N 31 125.100 120.137 4.963 1
1 237 . 1 1 1 A 32 32 LYS H H 32 8.430 7.709 0.721 1
1 238 . 1 1 1 A 32 32 LYS HA H 32 4.030 3.982 0.048 1
1 243 . 1 1 1 A 32 32 LYS C C 32 180.300 179.515 0.785 1
1 244 . 1 1 1 A 32 32 LYS CA C 32 60.400 59.332 1.068 1
1 245 . 1 1 1 A 32 32 LYS CB C 32 33.100 32.239 0.861 1
1 248 . 1 1 1 A 32 32 LYS N N 32 120.700 119.237 1.463 1
1 249 . 1 1 1 A 33 33 LEU H H 33 8.580 7.609 0.971 1
1 250 . 1 1 1 A 33 33 LEU HA H 33 4.000 3.998 0.002 1
1 260 . 1 1 1 A 33 33 LEU C C 33 179.200 178.743 0.457 1
1 261 . 1 1 1 A 33 33 LEU CA C 33 58.000 57.797 0.203 1
1 262 . 1 1 1 A 33 33 LEU CB C 33 42.500 41.113 1.387 1
1 266 . 1 1 1 A 33 33 LEU N N 33 117.200 117.611 -0.411 1
1 267 . 1 1 1 A 34 34 SER H H 34 8.670 7.890 0.780 1
1 268 . 1 1 1 A 34 34 SER HA H 34 4.100 4.148 -0.048 1
1 271 . 1 1 1 A 34 34 SER C C 34 176.900 177.251 -0.351 1
1 272 . 1 1 1 A 34 34 SER CA C 34 62.500 61.481 1.019 1
1 273 . 1 1 1 A 34 34 SER CB C 34 62.500 62.683 -0.183 1
1 274 . 1 1 1 A 34 34 SER N N 34 115.500 115.400 0.100 1
1 275 . 1 1 1 A 35 35 SER H H 35 8.080 7.963 0.117 1
1 276 . 1 1 1 A 35 35 SER HA H 35 4.200 4.104 0.096 1
1 279 . 1 1 1 A 35 35 SER C C 35 175.900 175.999 -0.099 1
1 280 . 1 1 1 A 35 35 SER CA C 35 60.900 61.389 -0.489 1
1 281 . 1 1 1 A 35 35 SER CB C 35 62.900 63.026 -0.126 1
1 282 . 1 1 1 A 35 35 SER N N 35 115.300 116.138 -0.838 1
1 283 . 1 1 1 A 36 36 ALA H H 36 7.570 7.683 -0.113 1
1 284 . 1 1 1 A 36 36 ALA HA H 36 4.340 4.337 0.003 1
1 288 . 1 1 1 A 36 36 ALA C C 36 179.200 179.694 -0.494 1
1 289 . 1 1 1 A 36 36 ALA CA C 36 54.300 54.269 0.031 1
1 290 . 1 1 1 A 36 36 ALA CB C 36 20.900 19.449 1.451 1
1 291 . 1 1 1 A 36 36 ALA N N 36 119.000 122.930 -3.930 1
1 292 . 1 1 1 A 37 37 LEU H H 37 7.960 8.046 -0.086 1
1 293 . 1 1 1 A 37 37 LEU HA H 37 4.530 4.360 0.170 1
1 303 . 1 1 1 A 37 37 LEU CA C 37 53.500 54.884 -1.384 1
1 304 . 1 1 1 A 37 37 LEU CB C 37 42.600 42.445 0.155 1
1 308 . 1 1 1 A 37 37 LEU N N 37 111.800 116.265 -4.465 1
1 309 . 1 1 1 A 38 38 LYS H H 38 7.600 7.684 -0.084 1
1 310 . 1 1 1 A 38 38 LYS HA H 38 4.250 4.391 -0.141 1
1 313 . 1 1 1 A 38 38 LYS CA C 38 56.200 56.854 -0.654 1
1 314 . 1 1 1 A 38 38 LYS CB C 38 30.800 30.923 -0.123 1
1 315 . 1 1 1 A 38 38 LYS N N 38 117.200 115.906 1.294 1
1 316 . 1 1 1 A 39 39 PRO HA H 39 4.670 4.677 -0.007 1
1 323 . 1 1 1 A 39 39 PRO C C 39 178.100 177.726 0.374 1
1 324 . 1 1 1 A 39 39 PRO CA C 39 63.300 62.258 1.042 1
1 325 . 1 1 1 A 39 39 PRO CB C 39 32.700 32.164 0.536 1
1 328 . 1 1 1 A 40 40 THR H H 40 8.500 8.435 0.065 1
1 329 . 1 1 1 A 40 40 THR HA H 40 4.290 4.143 0.147 1
1 334 . 1 1 1 A 40 40 THR C C 40 175.700 174.539 1.161 1
1 335 . 1 1 1 A 40 40 THR CA C 40 63.200 64.708 -1.508 1
1 336 . 1 1 1 A 40 40 THR CB C 40 67.600 69.031 -1.431 1
1 338 . 1 1 1 A 40 40 THR N N 40 114.500 115.733 -1.233 1
1 339 . 1 1 1 A 41 41 PHE H H 41 7.300 7.413 -0.113 1
1 340 . 1 1 1 A 41 41 PHE HA H 41 4.510 4.785 -0.275 1
1 347 . 1 1 1 A 41 41 PHE C C 41 171.500 173.034 -1.534 1
1 348 . 1 1 1 A 41 41 PHE CA C 41 58.800 57.145 1.655 1
1 349 . 1 1 1 A 41 41 PHE CB C 41 41.000 42.321 -1.321 1
1 354 . 1 1 1 A 41 41 PHE N N 41 121.100 120.613 0.487 1
1 355 . 1 1 1 A 42 42 LEU H H 42 7.530 8.126 -0.596 1
1 356 . 1 1 1 A 42 42 LEU HA H 42 4.910 4.766 0.144 1
1 366 . 1 1 1 A 42 42 LEU C C 42 173.700 173.247 0.453 1
1 367 . 1 1 1 A 42 42 LEU CA C 42 53.500 53.970 -0.470 1
1 368 . 1 1 1 A 42 42 LEU CB C 42 45.300 45.547 -0.247 1
1 372 . 1 1 1 A 42 42 LEU N N 42 129.100 127.354 1.746 1
1 373 . 1 1 1 A 43 43 GLU H H 43 8.690 9.228 -0.538 1
1 374 . 1 1 1 A 43 43 GLU HA H 43 4.400 4.844 -0.444 1
1 379 . 1 1 1 A 43 43 GLU C C 43 173.500 174.966 -1.466 1
1 380 . 1 1 1 A 43 43 GLU CA C 43 55.800 54.780 1.020 1
1 381 . 1 1 1 A 43 43 GLU CB C 43 34.100 32.582 1.518 1
1 383 . 1 1 1 A 43 43 GLU N N 43 126.900 128.337 -1.437 1
1 384 . 1 1 1 A 44 44 LEU H H 44 9.000 9.016 -0.016 1
1 385 . 1 1 1 A 44 44 LEU HA H 44 5.130 4.971 0.159 1
1 395 . 1 1 1 A 44 44 LEU C C 44 175.100 175.583 -0.483 1
1 396 . 1 1 1 A 44 44 LEU CA C 44 53.700 53.561 0.139 1
1 397 . 1 1 1 A 44 44 LEU CB C 44 44.600 43.337 1.263 1
1 401 . 1 1 1 A 44 44 LEU N N 44 129.900 127.778 2.122 1
1 402 . 1 1 1 A 45 45 VAL H H 45 9.000 9.307 -0.307 1
1 403 . 1 1 1 A 45 45 VAL HA H 45 4.370 4.541 -0.171 1
1 411 . 1 1 1 A 45 45 VAL C C 45 175.100 175.006 0.094 1
1 412 . 1 1 1 A 45 45 VAL CA C 45 61.200 60.759 0.441 1
1 413 . 1 1 1 A 45 45 VAL CB C 45 35.400 35.362 0.038 1
1 416 . 1 1 1 A 45 45 VAL N N 45 122.300 125.357 -3.057 1
1 417 . 1 1 1 A 46 46 ASP H H 46 9.080 8.872 0.208 1
1 418 . 1 1 1 A 46 46 ASP HA H 46 4.530 4.599 -0.069 1
1 421 . 1 1 1 A 46 46 ASP C C 46 176.900 175.257 1.643 1
1 422 . 1 1 1 A 46 46 ASP CA C 46 53.900 54.259 -0.359 1
1 423 . 1 1 1 A 46 46 ASP CB C 46 40.600 41.116 -0.516 1
1 424 . 1 1 1 A 46 46 ASP N N 46 127.400 126.810 0.590 1
1 425 . 1 1 1 A 47 47 LYS H H 47 8.490 8.550 -0.060 1
1 426 . 1 1 1 A 47 47 LYS HA H 47 4.560 4.758 -0.198 1
1 427 . 1 1 1 A 47 47 LYS CA C 47 54.200 54.870 -0.670 1
1 428 . 1 1 1 A 47 47 LYS CB C 47 30.400 32.941 -2.541 1
1 429 . 1 1 1 A 47 47 LYS N N 47 129.500 128.004 1.496 1
1 430 . 1 1 1 A 54 54 SER HA H 54 5.550 4.939 0.611 1
1 433 . 1 1 1 A 54 54 SER C C 54 172.900 172.612 0.288 1
1 434 . 1 1 1 A 54 54 SER CA C 54 57.300 57.245 0.055 1
1 435 . 1 1 1 A 54 54 SER CB C 54 65.800 66.059 -0.259 1
1 436 . 1 1 1 A 55 55 PHE H H 55 8.340 8.499 -0.159 1
1 437 . 1 1 1 A 55 55 PHE HA H 55 5.700 5.111 0.589 1
1 442 . 1 1 1 A 55 55 PHE C C 55 174.400 173.856 0.544 1
1 443 . 1 1 1 A 55 55 PHE CA C 55 56.700 56.428 0.272 1
1 444 . 1 1 1 A 55 55 PHE CB C 55 45.300 41.867 3.433 1
1 447 . 1 1 1 A 55 55 PHE N N 55 119.600 123.009 -3.409 1
1 448 . 1 1 1 A 56 56 ASP H H 56 8.840 9.244 -0.404 1
1 449 . 1 1 1 A 56 56 ASP HA H 56 5.350 5.326 0.024 1
1 452 . 1 1 1 A 56 56 ASP C C 56 174.400 174.599 -0.199 1
1 453 . 1 1 1 A 56 56 ASP CA C 56 52.900 52.327 0.573 1
1 454 . 1 1 1 A 56 56 ASP CB C 56 43.700 42.568 1.132 1
1 455 . 1 1 1 A 56 56 ASP N N 56 121.500 124.066 -2.566 1
1 456 . 1 1 1 A 57 57 ALA H H 57 8.780 8.914 -0.134 1
1 457 . 1 1 1 A 57 57 ALA HA H 57 5.620 5.711 -0.091 1
1 461 . 1 1 1 A 57 57 ALA C C 57 176.400 175.513 0.887 1
1 462 . 1 1 1 A 57 57 ALA CA C 57 50.200 50.007 0.193 1
1 463 . 1 1 1 A 57 57 ALA CB C 57 23.600 21.170 2.430 1
1 464 . 1 1 1 A 57 57 ALA N N 57 125.000 129.557 -4.557 1
1 465 . 1 1 1 A 58 58 VAL H H 58 9.080 9.057 0.023 1
1 466 . 1 1 1 A 58 58 VAL HA H 58 4.580 4.474 0.106 1
1 474 . 1 1 1 A 58 58 VAL C C 58 175.000 176.252 -1.252 1
1 475 . 1 1 1 A 58 58 VAL CA C 58 62.800 62.161 0.639 1
1 476 . 1 1 1 A 58 58 VAL CB C 58 34.100 32.090 2.010 1
1 479 . 1 1 1 A 58 58 VAL N N 58 125.100 123.116 1.984 1
1 480 . 1 1 1 A 59 59 ILE H H 59 8.750 9.026 -0.276 1
1 481 . 1 1 1 A 59 59 ILE HA H 59 4.430 4.841 -0.411 1
1 489 . 1 1 1 A 59 59 ILE C C 59 173.900 174.832 -0.932 1
1 490 . 1 1 1 A 59 59 ILE CA C 59 60.900 59.372 1.528 1
1 491 . 1 1 1 A 59 59 ILE CB C 59 41.100 39.238 1.862 1
1 495 . 1 1 1 A 59 59 ILE N N 59 125.000 124.418 0.582 1
1 496 . 1 1 1 A 60 60 VAL H H 60 8.540 8.530 0.010 1
1 497 . 1 1 1 A 60 60 VAL HA H 60 5.540 5.053 0.487 1
1 505 . 1 1 1 A 60 60 VAL C C 60 175.900 174.312 1.588 1
1 506 . 1 1 1 A 60 60 VAL CA C 60 60.200 61.722 -1.522 1
1 507 . 1 1 1 A 60 60 VAL CB C 60 31.800 33.349 -1.549 1
1 510 . 1 1 1 A 60 60 VAL N N 60 128.600 123.151 5.449 1
1 511 . 1 1 1 A 61 61 SER H H 61 8.720 8.599 0.121 1
1 512 . 1 1 1 A 61 61 SER HA H 61 5.000 5.273 -0.273 1
1 515 . 1 1 1 A 61 61 SER C C 61 175.700 174.489 1.211 1
1 516 . 1 1 1 A 61 61 SER CA C 61 56.500 56.537 -0.037 1
1 517 . 1 1 1 A 61 61 SER CB C 61 64.400 65.825 -1.425 1
1 518 . 1 1 1 A 61 61 SER N N 61 115.900 122.195 -6.295 1
1 519 . 1 1 1 A 62 62 ASN H H 62 9.650 9.388 0.262 1
1 520 . 1 1 1 A 62 62 ASN HA H 62 4.670 4.561 0.109 1
1 525 . 1 1 1 A 62 62 ASN CA C 62 56.500 55.715 0.785 1
1 526 . 1 1 1 A 62 62 ASN CB C 62 38.600 38.223 0.377 1
1 528 . 1 1 1 A 62 62 ASN N N 62 129.400 126.049 3.351 1
1 530 . 1 1 1 A 63 63 ASN H H 63 8.920 8.299 0.621 1
1 531 . 1 1 1 A 63 63 ASN HA H 63 4.490 4.571 -0.081 1
1 536 . 1 1 1 A 63 63 ASN C C 63 175.200 176.683 -1.483 1
1 537 . 1 1 1 A 63 63 ASN CA C 63 55.700 55.667 0.033 1
1 538 . 1 1 1 A 63 63 ASN CB C 63 37.600 38.820 -1.220 1
1 539 . 1 1 1 A 63 63 ASN N N 63 119.500 118.465 1.035 1
1 541 . 1 1 1 A 64 64 PHE H H 64 6.950 7.721 -0.771 1
1 542 . 1 1 1 A 64 64 PHE HA H 64 4.690 4.558 0.132 1
1 545 . 1 1 1 A 64 64 PHE C C 64 174.200 176.501 -2.301 1
1 546 . 1 1 1 A 64 64 PHE CA C 64 54.900 58.139 -3.239 1
1 547 . 1 1 1 A 64 64 PHE CB C 64 37.500 39.749 -2.249 1
1 548 . 1 1 1 A 64 64 PHE N N 64 113.700 116.508 -2.808 1
1 549 . 1 1 1 A 65 65 GLU H H 65 7.470 8.656 -1.186 1
1 550 . 1 1 1 A 65 65 GLU HA H 65 4.010 4.240 -0.230 1
1 555 . 1 1 1 A 65 65 GLU C C 65 174.800 178.207 -3.407 1
1 556 . 1 1 1 A 65 65 GLU CA C 65 58.400 57.942 0.458 1
1 557 . 1 1 1 A 65 65 GLU CB C 65 29.700 28.976 0.724 1
1 559 . 1 1 1 A 65 65 GLU N N 65 120.500 117.793 2.707 1
1 560 . 1 1 1 A 66 66 ASP H H 66 9.010 7.791 1.219 1
1 561 . 1 1 1 A 66 66 ASP HA H 66 4.390 4.689 -0.299 1
1 564 . 1 1 1 A 66 66 ASP C C 66 175.000 175.676 -0.676 1
1 565 . 1 1 1 A 66 66 ASP CA C 66 55.800 54.938 0.862 1
1 566 . 1 1 1 A 66 66 ASP CB C 66 39.800 41.179 -1.379 1
1 567 . 1 1 1 A 66 66 ASP N N 66 119.200 121.469 -2.269 1
1 568 . 1 1 1 A 67 67 LYS H H 67 7.800 7.564 0.236 1
1 569 . 1 1 1 A 67 67 LYS C C 67 177.400 175.564 1.836 1
1 570 . 1 1 1 A 67 67 LYS CA C 67 54.700 57.640 -2.940 1
1 571 . 1 1 1 A 67 67 LYS CB C 67 38.400 29.013 9.387 1
1 575 . 1 1 1 A 67 67 LYS N N 67 117.200 117.030 0.170 1
1 576 . 1 1 1 A 68 68 LYS H H 68 9.340 7.979 1.361 1
1 577 . 1 1 1 A 68 68 LYS HA H 68 4.400 4.475 -0.075 1
1 586 . 1 1 1 A 68 68 LYS C C 68 177.500 176.360 1.140 1
1 587 . 1 1 1 A 68 68 LYS CA C 68 55.900 55.067 0.833 1
1 588 . 1 1 1 A 68 68 LYS CB C 68 32.700 30.721 1.979 1
1 592 . 1 1 1 A 68 68 LYS N N 68 125.800 119.494 6.306 1
1 593 . 1 1 1 A 69 69 LEU H H 69 8.710 7.971 0.739 1
1 594 . 1 1 1 A 69 69 LEU HA H 69 3.630 4.028 -0.398 1
1 603 . 1 1 1 A 69 69 LEU C C 69 178.400 178.237 0.163 1
1 604 . 1 1 1 A 69 69 LEU CA C 69 60.300 58.393 1.907 1
1 605 . 1 1 1 A 69 69 LEU CB C 69 41.600 41.870 -0.270 1
1 608 . 1 1 1 A 69 69 LEU N N 69 124.300 126.042 -1.742 1
1 609 . 1 1 1 A 70 70 LEU H H 70 8.700 8.041 0.659 1
1 610 . 1 1 1 A 70 70 LEU HA H 70 3.930 4.000 -0.070 1
1 620 . 1 1 1 A 70 70 LEU C C 70 179.400 178.418 0.982 1
1 621 . 1 1 1 A 70 70 LEU CA C 70 58.200 57.957 0.243 1
1 622 . 1 1 1 A 70 70 LEU CB C 70 41.700 41.121 0.579 1
1 626 . 1 1 1 A 70 70 LEU N N 70 116.100 116.486 -0.386 1
1 627 . 1 1 1 A 71 71 ASP H H 71 7.130 8.372 -1.242 1
1 628 . 1 1 1 A 71 71 ASP HA H 71 4.660 4.274 0.386 1
1 631 . 1 1 1 A 71 71 ASP C C 71 179.000 177.992 1.008 1
1 632 . 1 1 1 A 71 71 ASP CA C 71 57.100 57.815 -0.715 1
1 633 . 1 1 1 A 71 71 ASP CB C 71 40.800 41.283 -0.483 1
1 634 . 1 1 1 A 71 71 ASP N N 71 117.600 119.586 -1.986 1
1 635 . 1 1 1 A 72 72 ARG H H 72 8.190 8.361 -0.171 1
1 636 . 1 1 1 A 72 72 ARG HA H 72 3.930 3.872 0.058 1
1 637 . 1 1 1 A 72 72 ARG C C 72 177.000 178.454 -1.454 1
1 638 . 1 1 1 A 72 72 ARG CA C 72 60.100 58.637 1.463 1
1 639 . 1 1 1 A 72 72 ARG CB C 72 29.300 29.593 -0.293 1
1 642 . 1 1 1 A 72 72 ARG N N 72 122.200 118.007 4.193 1
1 643 . 1 1 1 A 73 73 HIS H H 73 8.030 8.146 -0.116 1
1 644 . 1 1 1 A 73 73 HIS HA H 73 4.100 4.302 -0.202 1
1 648 . 1 1 1 A 73 73 HIS C C 73 177.300 177.144 0.156 1
1 649 . 1 1 1 A 73 73 HIS CA C 73 58.100 59.989 -1.889 1
1 650 . 1 1 1 A 73 73 HIS CB C 73 30.200 29.755 0.445 1
1 652 . 1 1 1 A 73 73 HIS N N 73 116.800 120.332 -3.532 1
1 653 . 1 1 1 A 74 74 ARG H H 74 8.290 8.260 0.030 1
1 654 . 1 1 1 A 74 74 ARG HA H 74 4.080 3.897 0.183 1
1 661 . 1 1 1 A 74 74 ARG C C 74 178.700 178.779 -0.079 1
1 662 . 1 1 1 A 74 74 ARG CA C 74 59.700 58.823 0.877 1
1 663 . 1 1 1 A 74 74 ARG CB C 74 30.400 30.174 0.226 1
1 666 . 1 1 1 A 74 74 ARG N N 74 118.200 118.251 -0.051 1
1 667 . 1 1 1 A 75 75 LEU H H 75 7.740 8.101 -0.361 1
1 668 . 1 1 1 A 75 75 LEU HA H 75 4.270 4.041 0.229 1
1 678 . 1 1 1 A 75 75 LEU CA C 75 58.300 58.096 0.204 1
1 679 . 1 1 1 A 75 75 LEU CB C 75 42.000 42.061 -0.061 1
1 683 . 1 1 1 A 75 75 LEU N N 75 121.200 121.184 0.016 1
1 684 . 1 1 1 A 76 76 VAL H H 76 7.590 8.105 -0.515 1
1 685 . 1 1 1 A 76 76 VAL HA H 76 3.360 3.495 -0.135 1
1 693 . 1 1 1 A 76 76 VAL C C 76 176.800 177.223 -0.423 1
1 694 . 1 1 1 A 76 76 VAL CA C 76 67.500 66.819 0.681 1
1 695 . 1 1 1 A 76 76 VAL CB C 76 31.500 31.363 0.137 1
1 698 . 1 1 1 A 76 76 VAL N N 76 119.300 117.587 1.713 1
1 699 . 1 1 1 A 77 77 ASN H H 77 8.690 8.054 0.636 1
1 700 . 1 1 1 A 77 77 ASN HA H 77 4.190 4.420 -0.230 1
1 705 . 1 1 1 A 77 77 ASN C C 77 178.000 178.051 -0.051 1
1 706 . 1 1 1 A 77 77 ASN CA C 77 55.400 55.947 -0.547 1
1 707 . 1 1 1 A 77 77 ASN CB C 77 37.600 37.706 -0.106 1
1 708 . 1 1 1 A 77 77 ASN N N 77 117.100 118.485 -1.385 1
1 710 . 1 1 1 A 78 78 THR H H 78 8.050 7.802 0.248 1
1 711 . 1 1 1 A 78 78 THR HA H 78 3.970 4.021 -0.051 1
1 716 . 1 1 1 A 78 78 THR C C 78 176.900 176.366 0.534 1
1 717 . 1 1 1 A 78 78 THR CA C 78 66.700 67.005 -0.305 1
1 718 . 1 1 1 A 78 78 THR CB C 78 68.800 67.995 0.805 1
1 720 . 1 1 1 A 78 78 THR N N 78 116.300 118.394 -2.094 1
1 721 . 1 1 1 A 79 79 ILE H H 79 8.020 7.533 0.487 1
1 722 . 1 1 1 A 79 79 ILE HA H 79 3.670 3.867 -0.197 1
1 730 . 1 1 1 A 79 79 ILE CA C 79 65.000 63.879 1.121 1
1 731 . 1 1 1 A 79 79 ILE CB C 79 38.500 38.082 0.418 1
1 734 . 1 1 1 A 79 79 ILE N N 79 124.800 120.559 4.241 1
1 735 . 1 1 1 A 80 80 LEU H H 80 7.770 8.350 -0.580 1
1 745 . 1 1 1 A 80 80 LEU C C 80 176.000 178.711 -2.711 1
1 746 . 1 1 1 A 80 80 LEU CA C 80 52.900 55.396 -2.496 1
1 747 . 1 1 1 A 80 80 LEU CB C 80 41.100 41.407 -0.307 1
1 751 . 1 1 1 A 80 80 LEU N N 80 115.200 119.862 -4.662 1
1 752 . 1 1 1 A 81 81 LYS H H 81 6.880 7.815 -0.935 1
1 753 . 1 1 1 A 81 81 LYS HA H 81 3.820 3.859 -0.039 1
1 762 . 1 1 1 A 81 81 LYS C C 81 178.400 178.784 -0.384 1
1 763 . 1 1 1 A 81 81 LYS CA C 81 60.700 59.804 0.896 1
1 764 . 1 1 1 A 81 81 LYS CB C 81 32.800 32.474 0.326 1
1 768 . 1 1 1 A 81 81 LYS N N 81 120.300 121.139 -0.839 1
1 769 . 1 1 1 A 82 82 GLU H H 82 8.620 8.173 0.447 1
1 770 . 1 1 1 A 82 82 GLU HA H 82 4.020 4.076 -0.056 1
1 773 . 1 1 1 A 82 82 GLU C C 82 178.500 179.090 -0.590 1
1 774 . 1 1 1 A 82 82 GLU CA C 82 59.000 59.281 -0.281 1
1 775 . 1 1 1 A 82 82 GLU CB C 82 28.700 29.038 -0.338 1
1 777 . 1 1 1 A 82 82 GLU N N 82 116.700 118.050 -1.350 1
1 778 . 1 1 1 A 83 83 GLU H H 83 8.070 7.760 0.310 1
1 779 . 1 1 1 A 83 83 GLU HA H 83 3.980 3.943 0.037 1
1 784 . 1 1 1 A 83 83 GLU C C 83 179.300 178.850 0.450 1
1 785 . 1 1 1 A 83 83 GLU CA C 83 60.900 59.193 1.707 1
1 786 . 1 1 1 A 83 83 GLU CB C 83 28.900 29.196 -0.296 1
1 788 . 1 1 1 A 83 83 GLU N N 83 120.300 120.099 0.201 1
1 789 . 1 1 1 A 84 84 LEU H H 84 8.480 8.152 0.328 1
1 790 . 1 1 1 A 84 84 LEU HA H 84 3.910 3.952 -0.042 1
1 800 . 1 1 1 A 84 84 LEU C C 84 178.200 179.398 -1.198 1
1 801 . 1 1 1 A 84 84 LEU CA C 84 57.000 58.074 -1.074 1
1 802 . 1 1 1 A 84 84 LEU CB C 84 40.800 41.357 -0.557 1
1 806 . 1 1 1 A 84 84 LEU N N 84 116.700 120.050 -3.350 1
1 807 . 1 1 1 A 85 85 GLN H H 85 7.130 7.602 -0.472 1
1 808 . 1 1 1 A 85 85 GLN HA H 85 4.140 4.095 0.045 1
1 815 . 1 1 1 A 85 85 GLN C C 85 176.300 177.001 -0.701 1
1 816 . 1 1 1 A 85 85 GLN CA C 85 57.900 58.647 -0.747 1
1 817 . 1 1 1 A 85 85 GLN CB C 85 28.900 28.286 0.614 1
1 819 . 1 1 1 A 85 85 GLN N N 85 115.400 116.487 -1.087 1
1 821 . 1 1 1 A 86 86 ASN H H 86 7.630 7.955 -0.325 1
1 822 . 1 1 1 A 86 86 ASN HA H 86 5.020 4.826 0.194 1
1 827 . 1 1 1 A 86 86 ASN C C 86 174.100 173.906 0.194 1
1 828 . 1 1 1 A 86 86 ASN CA C 86 52.800 53.289 -0.489 1
1 829 . 1 1 1 A 86 86 ASN CB C 86 40.400 39.329 1.071 1
1 830 . 1 1 1 A 86 86 ASN N N 86 114.000 115.669 -1.669 1
1 832 . 1 1 1 A 87 87 ILE H H 87 7.300 7.811 -0.511 1
1 833 . 1 1 1 A 87 87 ILE HA H 87 4.320 4.717 -0.397 1
1 843 . 1 1 1 A 87 87 ILE C C 87 174.500 176.133 -1.633 1
1 844 . 1 1 1 A 87 87 ILE CA C 87 60.400 60.135 0.265 1
1 845 . 1 1 1 A 87 87 ILE CB C 87 40.600 41.436 -0.836 1
1 849 . 1 1 1 A 87 87 ILE N N 87 119.300 119.788 -0.488 1
1 850 . 1 1 1 A 88 88 HIS H H 88 9.140 8.786 0.354 1
1 851 . 1 1 1 A 88 88 HIS HA H 88 4.680 4.364 0.316 1
1 855 . 1 1 1 A 88 88 HIS CA C 88 57.300 59.419 -2.119 1
1 856 . 1 1 1 A 88 88 HIS CB C 88 30.200 30.428 -0.228 1
1 858 . 1 1 1 A 88 88 HIS N N 88 125.000 126.726 -1.726 1
1 859 . 1 1 1 A 89 89 ALA H H 89 7.600 7.727 -0.127 1
1 860 . 1 1 1 A 89 89 ALA HA H 89 4.620 4.554 0.066 1
1 864 . 1 1 1 A 89 89 ALA C C 89 174.300 175.324 -1.024 1
1 865 . 1 1 1 A 89 89 ALA CA C 89 52.300 51.764 0.536 1
1 866 . 1 1 1 A 89 89 ALA CB C 89 21.300 20.781 0.519 1
1 867 . 1 1 1 A 89 89 ALA N N 89 120.100 118.258 1.842 1
1 868 . 1 1 1 A 90 90 PHE H H 90 8.830 9.272 -0.442 1
1 869 . 1 1 1 A 90 90 PHE HA H 90 5.220 5.405 -0.185 1
1 877 . 1 1 1 A 90 90 PHE C C 90 173.700 173.889 -0.189 1
1 878 . 1 1 1 A 90 90 PHE CA C 90 57.200 56.515 0.685 1
1 879 . 1 1 1 A 90 90 PHE CB C 90 42.000 41.083 0.917 1
1 885 . 1 1 1 A 90 90 PHE N N 90 126.100 126.645 -0.545 1
1 886 . 1 1 1 A 91 91 SER H H 91 8.320 8.773 -0.453 1
1 887 . 1 1 1 A 91 91 SER HA H 91 4.730 5.173 -0.443 1
1 891 . 1 1 1 A 91 91 SER C C 91 172.600 173.205 -0.605 1
1 892 . 1 1 1 A 91 91 SER CA C 91 56.500 56.946 -0.446 1
1 893 . 1 1 1 A 91 91 SER CB C 91 64.100 65.475 -1.375 1
1 894 . 1 1 1 A 91 91 SER N N 91 123.100 124.443 -1.343 1
1 895 . 1 1 1 A 92 92 MET H H 92 8.660 9.088 -0.428 1
1 896 . 1 1 1 A 92 92 MET HA H 92 5.490 5.508 -0.018 1
1 901 . 1 1 1 A 92 92 MET C C 92 174.300 174.625 -0.325 1
1 902 . 1 1 1 A 92 92 MET CA C 92 53.600 53.444 0.156 1
1 903 . 1 1 1 A 92 92 MET CB C 92 37.500 35.239 2.261 1
1 906 . 1 1 1 A 92 92 MET N N 92 119.600 121.510 -1.910 1
1 907 . 1 1 1 A 93 93 LYS H H 93 8.190 8.975 -0.785 1
1 908 . 1 1 1 A 93 93 LYS HA H 93 4.450 4.838 -0.388 1
1 917 . 1 1 1 A 93 93 LYS C C 93 174.400 175.213 -0.813 1
1 918 . 1 1 1 A 93 93 LYS CA C 93 55.400 54.977 0.423 1
1 919 . 1 1 1 A 93 93 LYS CB C 93 34.700 34.156 0.544 1
1 923 . 1 1 1 A 93 93 LYS N N 93 122.700 121.150 1.550 1
1 924 . 1 1 1 A 94 94 CYS H H 94 8.340 8.735 -0.395 1
1 925 . 1 1 1 A 94 94 CYS HA H 94 4.960 4.803 0.157 1
1 928 . 1 1 1 A 94 94 CYS C C 94 173.600 174.286 -0.686 1
1 929 . 1 1 1 A 94 94 CYS CA C 94 56.600 57.880 -1.280 1
1 930 . 1 1 1 A 94 94 CYS CB C 94 29.800 28.602 1.198 1
1 931 . 1 1 1 A 94 94 CYS N N 94 120.300 125.133 -4.833 1
1 932 . 1 1 1 A 95 95 HIS H H 95 9.040 8.531 0.509 1
1 933 . 1 1 1 A 95 95 HIS HA H 95 5.440 5.125 0.315 1
1 936 . 1 1 1 A 95 95 HIS C C 95 175.700 174.558 1.142 1
1 937 . 1 1 1 A 95 95 HIS CA C 95 53.600 54.520 -0.920 1
1 938 . 1 1 1 A 95 95 HIS CB C 95 35.300 34.721 0.579 1
1 939 . 1 1 1 A 95 95 HIS N N 95 122.000 121.054 0.946 1
1 940 . 1 1 1 A 96 96 THR H H 96 8.910 8.678 0.232 1
1 941 . 1 1 1 A 96 96 THR HA H 96 5.150 4.940 0.210 1
1 945 . 1 1 1 A 96 96 THR CA C 96 60.100 58.737 1.363 1
1 946 . 1 1 1 A 96 96 THR CB C 96 67.600 70.242 -2.642 1
1 948 . 1 1 1 A 96 96 THR N N 96 113.600 112.280 1.320 1
1 949 . 1 1 1 A 97 97 PRO HA H 97 4.060 4.526 -0.466 1
1 956 . 1 1 1 A 97 97 PRO C C 97 178.600 178.787 -0.187 1
1 957 . 1 1 1 A 97 97 PRO CA C 97 66.600 65.364 1.236 1
1 958 . 1 1 1 A 97 97 PRO CB C 97 31.600 31.871 -0.271 1
1 961 . 1 1 1 A 98 98 LEU H H 98 8.410 7.605 0.805 1
1 962 . 1 1 1 A 98 98 LEU HA H 98 4.230 4.028 0.202 1
1 971 . 1 1 1 A 98 98 LEU C C 98 179.800 178.996 0.804 1
1 972 . 1 1 1 A 98 98 LEU CA C 98 58.200 57.639 0.561 1
1 973 . 1 1 1 A 98 98 LEU CB C 98 42.000 41.343 0.657 1
1 976 . 1 1 1 A 98 98 LEU N N 98 118.300 117.731 0.569 1
1 977 . 1 1 1 A 99 99 GLU H H 99 7.660 7.850 -0.190 1
1 978 . 1 1 1 A 99 99 GLU HA H 99 3.900 4.046 -0.146 1
1 983 . 1 1 1 A 99 99 GLU C C 99 180.200 178.489 1.711 1
1 984 . 1 1 1 A 99 99 GLU CA C 99 58.400 59.108 -0.708 1
1 985 . 1 1 1 A 99 99 GLU CB C 99 30.400 29.028 1.372 1
1 987 . 1 1 1 A 99 99 GLU N N 99 118.100 117.650 0.450 1
1 988 . 1 1 1 A 100 100 TYR H H 100 8.770 8.481 0.289 1
1 989 . 1 1 1 A 100 100 TYR HA H 100 3.860 4.013 -0.153 1
1 996 . 1 1 1 A 100 100 TYR C C 100 176.800 177.327 -0.527 1
1 997 . 1 1 1 A 100 100 TYR CA C 100 60.800 60.886 -0.086 1
1 998 . 1 1 1 A 100 100 TYR CB C 100 39.200 38.605 0.595 1
1 1003 . 1 1 1 A 100 100 TYR N N 100 120.100 122.752 -2.652 1
1 1004 . 1 1 1 A 101 101 ASP H H 101 8.100 8.451 -0.351 1
1 1005 . 1 1 1 A 101 101 ASP HA H 101 4.180 3.995 0.185 1
1 1008 . 1 1 1 A 101 101 ASP C C 101 178.700 178.278 0.422 1
1 1009 . 1 1 1 A 101 101 ASP CA C 101 57.300 57.508 -0.208 1
1 1010 . 1 1 1 A 101 101 ASP CB C 101 40.800 42.180 -1.380 1
1 1011 . 1 1 1 A 101 101 ASP N N 101 118.400 119.362 -0.962 1
1 1012 . 1 1 1 A 102 102 LYS H H 102 7.480 7.262 0.218 1
1 1013 . 1 1 1 A 102 102 LYS HA H 102 4.070 4.011 0.059 1
1 1020 . 1 1 1 A 102 102 LYS CA C 102 58.300 59.200 -0.900 1
1 1021 . 1 1 1 A 102 102 LYS CB C 102 32.300 32.464 -0.164 1
1 1024 . 1 1 1 A 102 102 LYS N N 102 117.500 118.791 -1.291 1
1 1025 . 1 1 1 A 103 103 LEU H H 103 7.580 7.688 -0.108 1
1 1026 . 1 1 1 A 103 103 LEU HA H 103 4.050 3.937 0.113 1
1 1036 . 1 1 1 A 103 103 LEU C C 103 178.700 179.528 -0.828 1
1 1037 . 1 1 1 A 103 103 LEU CA C 103 56.800 57.782 -0.982 1
1 1038 . 1 1 1 A 103 103 LEU CB C 103 42.000 41.151 0.849 1
1 1042 . 1 1 1 A 103 103 LEU N N 103 120.100 119.561 0.539 1
1 1043 . 1 1 1 A 104 104 LYS H H 104 7.730 7.778 -0.048 1
1 1044 . 1 1 1 A 104 104 LYS HA H 104 3.960 3.912 0.048 1
1 1053 . 1 1 1 A 104 104 LYS CA C 104 56.700 58.799 -2.099 1
1 1054 . 1 1 1 A 104 104 LYS CB C 104 31.700 31.705 -0.005 1
1 1058 . 1 1 1 A 104 104 LYS N N 104 118.500 118.641 -0.141 1
1 1059 . 1 1 1 A 105 105 SER H H 105 7.790 8.071 -0.281 1
1 1060 . 1 1 1 A 105 105 SER HA H 105 4.330 4.283 0.047 1
1 1063 . 1 1 1 A 105 105 SER C C 105 174.700 176.069 -1.369 1
1 1064 . 1 1 1 A 105 105 SER CA C 105 58.900 61.427 -2.527 1
1 1065 . 1 1 1 A 105 105 SER CB C 105 63.500 63.703 -0.203 1
1 1066 . 1 1 1 A 105 105 SER N N 105 114.900 117.219 -2.319 1
1 1067 . 1 1 1 A 106 106 LYS H H 106 8.000 7.481 0.519 1
1 1068 . 1 1 1 A 106 106 LYS HA H 106 4.300 4.480 -0.180 1
1 1077 . 1 1 1 A 106 106 LYS C C 106 177.000 177.086 -0.086 1
1 1078 . 1 1 1 A 106 106 LYS CA C 106 56.600 56.668 -0.068 1
1 1079 . 1 1 1 A 106 106 LYS CB C 106 32.800 34.337 -1.537 1
1 1081 . 1 1 1 A 106 106 LYS N N 106 122.400 115.325 7.075 1
1 1082 . 1 1 1 A 107 107 GLY H H 107 8.310 8.510 -0.200 1
1 1083 . 1 1 1 A 107 107 GLY HA2 H 107 3.990 3.941 0.049 1
1 1084 . 1 1 1 A 107 107 GLY HA3 H 107 3.990 3.955 0.035 1
1 1085 . 1 1 1 A 107 107 GLY CA C 107 45.300 45.481 -0.181 1
1 1086 . 1 1 1 A 107 107 GLY N N 107 110.000 108.318 1.682 1
1 1 . 2 1 1 A 11 11 SER HA H 11 4.510 4.733 -0.223 1
1 4 . 2 1 1 A 11 11 SER C C 11 174.600 172.949 1.651 1
1 5 . 2 1 1 A 11 11 SER CA C 11 58.400 56.992 1.408 1
1 6 . 2 1 1 A 11 11 SER CB C 11 63.800 65.267 -1.467 1
1 7 . 2 1 1 A 12 12 SER H H 12 8.630 8.731 -0.101 1
1 8 . 2 1 1 A 12 12 SER HA H 12 4.500 5.070 -0.570 1
1 11 . 2 1 1 A 12 12 SER C C 12 175.000 174.711 0.289 1
1 12 . 2 1 1 A 12 12 SER CA C 12 58.600 57.712 0.888 1
1 13 . 2 1 1 A 12 12 SER CB C 12 63.900 63.439 0.461 1
1 14 . 2 1 1 A 12 12 SER N N 12 118.300 121.449 -3.149 1
1 15 . 2 1 1 A 13 13 GLY H H 13 8.560 8.001 0.559 1
1 16 . 2 1 1 A 13 13 GLY HA2 H 13 4.050 4.041 0.009 1
1 17 . 2 1 1 A 13 13 GLY HA3 H 13 4.050 4.060 -0.010 1
1 18 . 2 1 1 A 13 13 GLY C C 13 174.300 175.119 -0.819 1
1 19 . 2 1 1 A 13 13 GLY CA C 13 45.400 45.728 -0.328 1
1 20 . 2 1 1 A 13 13 GLY N N 13 111.000 112.722 -1.722 1
1 21 . 2 1 1 A 14 14 ARG H H 14 8.260 8.081 0.179 1
1 22 . 2 1 1 A 14 14 ARG HA H 14 4.320 4.220 0.100 1
1 29 . 2 1 1 A 14 14 ARG C C 14 176.400 177.313 -0.913 1
1 30 . 2 1 1 A 14 14 ARG CA C 14 56.300 57.893 -1.593 1
1 31 . 2 1 1 A 14 14 ARG CB C 14 30.600 31.071 -0.471 1
1 34 . 2 1 1 A 14 14 ARG N N 14 120.400 117.629 2.771 1
1 35 . 2 1 1 A 15 15 GLU H H 15 8.660 8.244 0.416 1
1 36 . 2 1 1 A 15 15 GLU HA H 15 4.210 4.302 -0.092 1
1 41 . 2 1 1 A 15 15 GLU C C 15 176.200 177.082 -0.882 1
1 42 . 2 1 1 A 15 15 GLU CA C 15 57.200 56.063 1.137 1
1 43 . 2 1 1 A 15 15 GLU CB C 15 29.700 28.922 0.778 1
1 45 . 2 1 1 A 15 15 GLU N N 15 121.100 116.830 4.270 1
1 46 . 2 1 1 A 16 16 ASN H H 16 8.420 8.394 0.026 1
1 47 . 2 1 1 A 16 16 ASN HA H 16 4.680 4.251 0.429 1
1 52 . 2 1 1 A 16 16 ASN C C 16 175.100 176.621 -1.521 1
1 53 . 2 1 1 A 16 16 ASN CA C 16 53.300 54.703 -1.403 1
1 54 . 2 1 1 A 16 16 ASN CB C 16 38.700 36.675 2.025 1
1 55 . 2 1 1 A 16 16 ASN N N 16 118.900 118.716 0.184 1
1 57 . 2 1 1 A 17 17 LEU H H 17 8.110 7.881 0.229 1
1 58 . 2 1 1 A 17 17 LEU HA H 17 4.210 4.231 -0.021 1
1 68 . 2 1 1 A 17 17 LEU C C 17 177.000 177.024 -0.024 1
1 69 . 2 1 1 A 17 17 LEU CA C 17 55.600 56.230 -0.630 1
1 70 . 2 1 1 A 17 17 LEU CB C 17 42.200 42.666 -0.466 1
1 74 . 2 1 1 A 17 17 LEU N N 17 121.900 117.964 3.936 1
1 75 . 2 1 1 A 18 18 TYR H H 18 8.070 7.978 0.092 1
1 76 . 2 1 1 A 18 18 TYR HA H 18 4.530 4.564 -0.034 1
1 83 . 2 1 1 A 18 18 TYR C C 18 175.700 177.145 -1.445 1
1 84 . 2 1 1 A 18 18 TYR CA C 18 58.000 58.378 -0.378 1
1 85 . 2 1 1 A 18 18 TYR CB C 18 38.700 38.582 0.118 1
1 90 . 2 1 1 A 18 18 TYR N N 18 119.500 119.010 0.490 1
1 91 . 2 1 1 A 19 19 PHE H H 19 8.120 8.770 -0.650 1
1 92 . 2 1 1 A 19 19 PHE HA H 19 4.560 4.466 0.094 1
1 99 . 2 1 1 A 19 19 PHE C C 19 175.500 176.185 -0.685 1
1 100 . 2 1 1 A 19 19 PHE CA C 19 57.900 60.251 -2.351 1
1 101 . 2 1 1 A 19 19 PHE CB C 19 39.500 38.309 1.191 1
1 106 . 2 1 1 A 19 19 PHE N N 19 121.200 122.632 -1.432 1
1 107 . 2 1 1 A 20 20 GLN H H 20 8.300 7.537 0.763 1
1 108 . 2 1 1 A 20 20 GLN HA H 20 4.200 3.890 0.310 1
1 115 . 2 1 1 A 20 20 GLN C C 20 176.000 176.342 -0.342 1
1 116 . 2 1 1 A 20 20 GLN CA C 20 56.100 54.878 1.222 1
1 117 . 2 1 1 A 20 20 GLN CB C 20 29.100 27.536 1.564 1
1 119 . 2 1 1 A 20 20 GLN N N 20 121.700 116.765 4.935 1
1 121 . 2 1 1 A 21 21 GLY H H 21 7.970 7.406 0.564 1
1 122 . 2 1 1 A 21 21 GLY HA2 H 21 3.940 4.058 -0.118 1
1 123 . 2 1 1 A 21 21 GLY HA3 H 21 3.830 4.096 -0.266 1
1 124 . 2 1 1 A 21 21 GLY CA C 21 45.400 45.629 -0.229 1
1 125 . 2 1 1 A 21 21 GLY N N 21 108.500 106.823 1.677 1
1 126 . 2 1 1 A 22 22 HIS H H 22 8.280 7.834 0.446 1
1 127 . 2 1 1 A 22 22 HIS C C 22 174.000 174.909 -0.909 1
1 128 . 2 1 1 A 22 22 HIS CA C 22 56.000 58.879 -2.879 1
1 129 . 2 1 1 A 22 22 HIS CB C 22 29.900 30.887 -0.987 1
1 130 . 2 1 1 A 22 22 HIS N N 22 118.700 118.852 -0.152 1
1 134 . 2 1 1 A 23 23 MET C C 23 175.900 176.152 -0.252 1
1 135 . 2 1 1 A 23 23 MET CB C 23 32.700 31.009 1.691 1
1 137 . 2 1 1 A 24 24 CYS H H 24 8.390 7.819 0.571 1
1 138 . 2 1 1 A 24 24 CYS HA H 24 4.620 4.510 0.110 1
1 141 . 2 1 1 A 24 24 CYS C C 24 175.400 175.637 -0.237 1
1 142 . 2 1 1 A 24 24 CYS CA C 24 58.000 59.343 -1.343 1
1 143 . 2 1 1 A 24 24 CYS CB C 24 27.900 28.704 -0.804 1
1 144 . 2 1 1 A 24 24 CYS N N 24 120.600 119.315 1.285 1
1 145 . 2 1 1 A 25 25 ILE H H 25 8.550 8.658 -0.108 1
1 146 . 2 1 1 A 25 25 ILE HA H 25 4.010 3.911 0.099 1
1 156 . 2 1 1 A 25 25 ILE C C 25 176.200 177.013 -0.813 1
1 157 . 2 1 1 A 25 25 ILE CA C 25 63.400 64.230 -0.830 1
1 158 . 2 1 1 A 25 25 ILE CB C 25 38.100 37.705 0.395 1
1 162 . 2 1 1 A 25 25 ILE N N 25 124.600 129.200 -4.600 1
1 163 . 2 1 1 A 26 26 GLN H H 26 8.860 7.673 1.187 1
1 164 . 2 1 1 A 26 26 GLN HA H 26 3.340 3.869 -0.529 1
1 171 . 2 1 1 A 26 26 GLN C C 26 176.800 178.676 -1.876 1
1 172 . 2 1 1 A 26 26 GLN CA C 26 60.200 59.207 0.993 1
1 173 . 2 1 1 A 26 26 GLN CB C 26 27.800 27.960 -0.160 1
1 175 . 2 1 1 A 26 26 GLN N N 26 121.900 120.940 0.960 1
1 177 . 2 1 1 A 27 27 LYS H H 27 7.340 7.862 -0.522 1
1 178 . 2 1 1 A 27 27 LYS HA H 27 4.070 4.051 0.019 1
1 181 . 2 1 1 A 27 27 LYS C C 27 177.900 178.781 -0.881 1
1 182 . 2 1 1 A 27 27 LYS CA C 27 58.300 58.416 -0.116 1
1 183 . 2 1 1 A 27 27 LYS CB C 27 31.800 31.795 0.005 1
1 187 . 2 1 1 A 27 27 LYS N N 27 117.700 118.464 -0.764 1
1 188 . 2 1 1 A 28 28 VAL H H 28 7.570 7.897 -0.327 1
1 189 . 2 1 1 A 28 28 VAL HA H 28 3.680 3.626 0.054 1
1 197 . 2 1 1 A 28 28 VAL C C 28 178.600 178.174 0.426 1
1 198 . 2 1 1 A 28 28 VAL CA C 28 66.400 66.282 0.118 1
1 199 . 2 1 1 A 28 28 VAL CB C 28 31.800 31.550 0.250 1
1 202 . 2 1 1 A 28 28 VAL N N 28 119.900 119.557 0.343 1
1 203 . 2 1 1 A 29 29 ILE H H 29 8.180 7.988 0.192 1
1 204 . 2 1 1 A 29 29 ILE HA H 29 3.290 3.409 -0.119 1
1 212 . 2 1 1 A 29 29 ILE C C 29 177.500 177.830 -0.330 1
1 213 . 2 1 1 A 29 29 ILE CA C 29 65.900 65.588 0.312 1
1 214 . 2 1 1 A 29 29 ILE CB C 29 37.600 37.589 0.011 1
1 218 . 2 1 1 A 29 29 ILE N N 29 118.500 119.345 -0.845 1
1 219 . 2 1 1 A 30 30 GLU H H 30 8.370 8.392 -0.022 1
1 220 . 2 1 1 A 30 30 GLU HA H 30 3.610 3.876 -0.266 1
1 225 . 2 1 1 A 30 30 GLU C C 30 179.000 178.540 0.460 1
1 226 . 2 1 1 A 30 30 GLU CA C 30 60.400 59.753 0.647 1
1 227 . 2 1 1 A 30 30 GLU CB C 30 29.600 29.070 0.530 1
1 229 . 2 1 1 A 30 30 GLU N N 30 119.200 118.884 0.316 1
1 230 . 2 1 1 A 31 31 ASP H H 31 8.710 8.128 0.582 1
1 231 . 2 1 1 A 31 31 ASP HA H 31 4.370 4.288 0.082 1
1 234 . 2 1 1 A 31 31 ASP CA C 31 57.600 57.168 0.432 1
1 235 . 2 1 1 A 31 31 ASP CB C 31 40.200 41.042 -0.842 1
1 236 . 2 1 1 A 31 31 ASP N N 31 125.100 120.648 4.452 1
1 237 . 2 1 1 A 32 32 LYS H H 32 8.430 7.745 0.685 1
1 238 . 2 1 1 A 32 32 LYS HA H 32 4.030 4.041 -0.011 1
1 243 . 2 1 1 A 32 32 LYS C C 32 180.300 179.585 0.715 1
1 244 . 2 1 1 A 32 32 LYS CA C 32 60.400 59.388 1.012 1
1 245 . 2 1 1 A 32 32 LYS CB C 32 33.100 32.010 1.090 1
1 248 . 2 1 1 A 32 32 LYS N N 32 120.700 119.345 1.355 1
1 249 . 2 1 1 A 33 33 LEU H H 33 8.580 7.956 0.624 1
1 250 . 2 1 1 A 33 33 LEU HA H 33 4.000 4.003 -0.003 1
1 260 . 2 1 1 A 33 33 LEU C C 33 179.200 178.754 0.446 1
1 261 . 2 1 1 A 33 33 LEU CA C 33 58.000 57.755 0.245 1
1 262 . 2 1 1 A 33 33 LEU CB C 33 42.500 41.097 1.403 1
1 266 . 2 1 1 A 33 33 LEU N N 33 117.200 119.566 -2.366 1
1 267 . 2 1 1 A 34 34 SER H H 34 8.670 7.995 0.675 1
1 268 . 2 1 1 A 34 34 SER HA H 34 4.100 4.122 -0.022 1
1 271 . 2 1 1 A 34 34 SER C C 34 176.900 177.296 -0.396 1
1 272 . 2 1 1 A 34 34 SER CA C 34 62.500 61.661 0.839 1
1 273 . 2 1 1 A 34 34 SER CB C 34 62.500 62.844 -0.344 1
1 274 . 2 1 1 A 34 34 SER N N 34 115.500 115.371 0.129 1
1 275 . 2 1 1 A 35 35 SER H H 35 8.080 8.010 0.070 1
1 276 . 2 1 1 A 35 35 SER HA H 35 4.200 4.122 0.078 1
1 279 . 2 1 1 A 35 35 SER C C 35 175.900 176.080 -0.180 1
1 280 . 2 1 1 A 35 35 SER CA C 35 60.900 61.348 -0.448 1
1 281 . 2 1 1 A 35 35 SER CB C 35 62.900 62.939 -0.039 1
1 282 . 2 1 1 A 35 35 SER N N 35 115.300 116.473 -1.173 1
1 283 . 2 1 1 A 36 36 ALA H H 36 7.570 7.852 -0.282 1
1 284 . 2 1 1 A 36 36 ALA HA H 36 4.340 4.174 0.166 1
1 288 . 2 1 1 A 36 36 ALA C C 36 179.200 179.565 -0.365 1
1 289 . 2 1 1 A 36 36 ALA CA C 36 54.300 54.625 -0.325 1
1 290 . 2 1 1 A 36 36 ALA CB C 36 20.900 18.993 1.907 1
1 291 . 2 1 1 A 36 36 ALA N N 36 119.000 123.501 -4.501 1
1 292 . 2 1 1 A 37 37 LEU H H 37 7.960 7.929 0.031 1
1 293 . 2 1 1 A 37 37 LEU HA H 37 4.530 4.385 0.145 1
1 303 . 2 1 1 A 37 37 LEU CA C 37 53.500 55.390 -1.890 1
1 304 . 2 1 1 A 37 37 LEU CB C 37 42.600 42.875 -0.275 1
1 308 . 2 1 1 A 37 37 LEU N N 37 111.800 116.005 -4.205 1
1 309 . 2 1 1 A 38 38 LYS H H 38 7.600 7.831 -0.231 1
1 310 . 2 1 1 A 38 38 LYS HA H 38 4.250 4.239 0.011 1
1 313 . 2 1 1 A 38 38 LYS CA C 38 56.200 56.593 -0.393 1
1 314 . 2 1 1 A 38 38 LYS CB C 38 30.800 31.161 -0.361 1
1 315 . 2 1 1 A 38 38 LYS N N 38 117.200 116.122 1.078 1
1 316 . 2 1 1 A 39 39 PRO HA H 39 4.670 4.618 0.052 1
1 323 . 2 1 1 A 39 39 PRO C C 39 178.100 177.594 0.506 1
1 324 . 2 1 1 A 39 39 PRO CA C 39 63.300 62.304 0.996 1
1 325 . 2 1 1 A 39 39 PRO CB C 39 32.700 32.300 0.400 1
1 328 . 2 1 1 A 40 40 THR H H 40 8.500 8.458 0.042 1
1 329 . 2 1 1 A 40 40 THR HA H 40 4.290 4.206 0.084 1
1 334 . 2 1 1 A 40 40 THR C C 40 175.700 174.639 1.061 1
1 335 . 2 1 1 A 40 40 THR CA C 40 63.200 63.600 -0.400 1
1 336 . 2 1 1 A 40 40 THR CB C 40 67.600 69.199 -1.599 1
1 338 . 2 1 1 A 40 40 THR N N 40 114.500 113.559 0.941 1
1 339 . 2 1 1 A 41 41 PHE H H 41 7.300 7.592 -0.292 1
1 340 . 2 1 1 A 41 41 PHE HA H 41 4.510 4.738 -0.228 1
1 347 . 2 1 1 A 41 41 PHE C C 41 171.500 172.783 -1.283 1
1 348 . 2 1 1 A 41 41 PHE CA C 41 58.800 56.614 2.186 1
1 349 . 2 1 1 A 41 41 PHE CB C 41 41.000 41.852 -0.852 1
1 354 . 2 1 1 A 41 41 PHE N N 41 121.100 121.579 -0.479 1
1 355 . 2 1 1 A 42 42 LEU H H 42 7.530 8.591 -1.061 1
1 356 . 2 1 1 A 42 42 LEU HA H 42 4.910 5.050 -0.140 1
1 366 . 2 1 1 A 42 42 LEU C C 42 173.700 173.559 0.141 1
1 367 . 2 1 1 A 42 42 LEU CA C 42 53.500 53.770 -0.270 1
1 368 . 2 1 1 A 42 42 LEU CB C 42 45.300 45.334 -0.034 1
1 372 . 2 1 1 A 42 42 LEU N N 42 129.100 129.341 -0.241 1
1 373 . 2 1 1 A 43 43 GLU H H 43 8.690 8.803 -0.113 1
1 374 . 2 1 1 A 43 43 GLU HA H 43 4.400 4.934 -0.534 1
1 379 . 2 1 1 A 43 43 GLU C C 43 173.500 174.897 -1.397 1
1 380 . 2 1 1 A 43 43 GLU CA C 43 55.800 54.336 1.464 1
1 381 . 2 1 1 A 43 43 GLU CB C 43 34.100 32.878 1.222 1
1 383 . 2 1 1 A 43 43 GLU N N 43 126.900 128.084 -1.184 1
1 384 . 2 1 1 A 44 44 LEU H H 44 9.000 8.809 0.191 1
1 385 . 2 1 1 A 44 44 LEU HA H 44 5.130 4.773 0.357 1
1 395 . 2 1 1 A 44 44 LEU C C 44 175.100 176.253 -1.153 1
1 396 . 2 1 1 A 44 44 LEU CA C 44 53.700 53.926 -0.226 1
1 397 . 2 1 1 A 44 44 LEU CB C 44 44.600 41.951 2.649 1
1 401 . 2 1 1 A 44 44 LEU N N 44 129.900 128.090 1.810 1
1 402 . 2 1 1 A 45 45 VAL H H 45 9.000 9.568 -0.568 1
1 403 . 2 1 1 A 45 45 VAL HA H 45 4.370 4.541 -0.171 1
1 411 . 2 1 1 A 45 45 VAL C C 45 175.100 175.161 -0.061 1
1 412 . 2 1 1 A 45 45 VAL CA C 45 61.200 61.235 -0.035 1
1 413 . 2 1 1 A 45 45 VAL CB C 45 35.400 32.660 2.740 1
1 416 . 2 1 1 A 45 45 VAL N N 45 122.300 125.307 -3.007 1
1 417 . 2 1 1 A 46 46 ASP H H 46 9.080 8.874 0.206 1
1 418 . 2 1 1 A 46 46 ASP HA H 46 4.530 4.881 -0.351 1
1 421 . 2 1 1 A 46 46 ASP C C 46 176.900 175.952 0.948 1
1 422 . 2 1 1 A 46 46 ASP CA C 46 53.900 53.857 0.043 1
1 423 . 2 1 1 A 46 46 ASP CB C 46 40.600 41.045 -0.445 1
1 424 . 2 1 1 A 46 46 ASP N N 46 127.400 128.708 -1.308 1
1 425 . 2 1 1 A 47 47 LYS H H 47 8.490 7.892 0.598 1
1 426 . 2 1 1 A 47 47 LYS HA H 47 4.560 4.400 0.160 1
1 427 . 2 1 1 A 47 47 LYS CA C 47 54.200 55.990 -1.790 1
1 428 . 2 1 1 A 47 47 LYS CB C 47 30.400 33.333 -2.933 1
1 429 . 2 1 1 A 47 47 LYS N N 47 129.500 127.000 2.500 1
1 430 . 2 1 1 A 54 54 SER HA H 54 5.550 5.474 0.076 1
1 433 . 2 1 1 A 54 54 SER C C 54 172.900 173.332 -0.432 1
1 434 . 2 1 1 A 54 54 SER CA C 54 57.300 57.074 0.226 1
1 435 . 2 1 1 A 54 54 SER CB C 54 65.800 64.984 0.816 1
1 436 . 2 1 1 A 55 55 PHE H H 55 8.340 9.017 -0.677 1
1 437 . 2 1 1 A 55 55 PHE HA H 55 5.700 5.077 0.623 1
1 442 . 2 1 1 A 55 55 PHE C C 55 174.400 173.780 0.620 1
1 443 . 2 1 1 A 55 55 PHE CA C 55 56.700 55.957 0.743 1
1 444 . 2 1 1 A 55 55 PHE CB C 55 45.300 41.855 3.445 1
1 447 . 2 1 1 A 55 55 PHE N N 55 119.600 125.080 -5.480 1
1 448 . 2 1 1 A 56 56 ASP H H 56 8.840 8.630 0.210 1
1 449 . 2 1 1 A 56 56 ASP HA H 56 5.350 5.510 -0.160 1
1 452 . 2 1 1 A 56 56 ASP C C 56 174.400 174.374 0.026 1
1 453 . 2 1 1 A 56 56 ASP CA C 56 52.900 52.343 0.557 1
1 454 . 2 1 1 A 56 56 ASP CB C 56 43.700 44.077 -0.377 1
1 455 . 2 1 1 A 56 56 ASP N N 56 121.500 123.411 -1.911 1
1 456 . 2 1 1 A 57 57 ALA H H 57 8.780 8.908 -0.128 1
1 457 . 2 1 1 A 57 57 ALA HA H 57 5.620 5.051 0.569 1
1 461 . 2 1 1 A 57 57 ALA C C 57 176.400 175.828 0.572 1
1 462 . 2 1 1 A 57 57 ALA CA C 57 50.200 50.165 0.035 1
1 463 . 2 1 1 A 57 57 ALA CB C 57 23.600 20.735 2.865 1
1 464 . 2 1 1 A 57 57 ALA N N 57 125.000 129.035 -4.035 1
1 465 . 2 1 1 A 58 58 VAL H H 58 9.080 9.012 0.068 1
1 466 . 2 1 1 A 58 58 VAL HA H 58 4.580 4.512 0.068 1
1 474 . 2 1 1 A 58 58 VAL C C 58 175.000 174.516 0.484 1
1 475 . 2 1 1 A 58 58 VAL CA C 58 62.800 62.610 0.190 1
1 476 . 2 1 1 A 58 58 VAL CB C 58 34.100 31.343 2.757 1
1 479 . 2 1 1 A 58 58 VAL N N 58 125.100 123.222 1.878 1
1 480 . 2 1 1 A 59 59 ILE H H 59 8.750 9.297 -0.547 1
1 481 . 2 1 1 A 59 59 ILE HA H 59 4.430 4.945 -0.515 1
1 489 . 2 1 1 A 59 59 ILE C C 59 173.900 174.026 -0.126 1
1 490 . 2 1 1 A 59 59 ILE CA C 59 60.900 59.975 0.925 1
1 491 . 2 1 1 A 59 59 ILE CB C 59 41.100 40.527 0.573 1
1 495 . 2 1 1 A 59 59 ILE N N 59 125.000 129.447 -4.447 1
1 496 . 2 1 1 A 60 60 VAL H H 60 8.540 9.293 -0.753 1
1 497 . 2 1 1 A 60 60 VAL HA H 60 5.540 5.571 -0.031 1
1 505 . 2 1 1 A 60 60 VAL C C 60 175.900 174.949 0.951 1
1 506 . 2 1 1 A 60 60 VAL CA C 60 60.200 61.106 -0.906 1
1 507 . 2 1 1 A 60 60 VAL CB C 60 31.800 32.264 -0.464 1
1 510 . 2 1 1 A 60 60 VAL N N 60 128.600 131.822 -3.222 1
1 511 . 2 1 1 A 61 61 SER H H 61 8.720 8.578 0.142 1
1 512 . 2 1 1 A 61 61 SER HA H 61 5.000 5.275 -0.275 1
1 515 . 2 1 1 A 61 61 SER C C 61 175.700 174.448 1.252 1
1 516 . 2 1 1 A 61 61 SER CA C 61 56.500 56.465 0.035 1
1 517 . 2 1 1 A 61 61 SER CB C 61 64.400 65.627 -1.227 1
1 518 . 2 1 1 A 61 61 SER N N 61 115.900 121.788 -5.888 1
1 519 . 2 1 1 A 62 62 ASN H H 62 9.650 9.113 0.537 1
1 520 . 2 1 1 A 62 62 ASN HA H 62 4.670 4.383 0.287 1
1 525 . 2 1 1 A 62 62 ASN CA C 62 56.500 56.054 0.446 1
1 526 . 2 1 1 A 62 62 ASN CB C 62 38.600 38.263 0.337 1
1 528 . 2 1 1 A 62 62 ASN N N 62 129.400 124.625 4.775 1
1 530 . 2 1 1 A 63 63 ASN H H 63 8.920 8.359 0.561 1
1 531 . 2 1 1 A 63 63 ASN HA H 63 4.490 4.511 -0.021 1
1 536 . 2 1 1 A 63 63 ASN C C 63 175.200 176.806 -1.606 1
1 537 . 2 1 1 A 63 63 ASN CA C 63 55.700 56.238 -0.538 1
1 538 . 2 1 1 A 63 63 ASN CB C 63 37.600 38.732 -1.132 1
1 539 . 2 1 1 A 63 63 ASN N N 63 119.500 118.184 1.316 1
1 541 . 2 1 1 A 64 64 PHE H H 64 6.950 7.570 -0.620 1
1 542 . 2 1 1 A 64 64 PHE HA H 64 4.690 4.510 0.180 1
1 545 . 2 1 1 A 64 64 PHE C C 64 174.200 176.616 -2.416 1
1 546 . 2 1 1 A 64 64 PHE CA C 64 54.900 59.161 -4.261 1
1 547 . 2 1 1 A 64 64 PHE CB C 64 37.500 39.165 -1.665 1
1 548 . 2 1 1 A 64 64 PHE N N 64 113.700 119.746 -6.046 1
1 549 . 2 1 1 A 65 65 GLU H H 65 7.470 8.196 -0.726 1
1 550 . 2 1 1 A 65 65 GLU HA H 65 4.010 4.044 -0.034 1
1 555 . 2 1 1 A 65 65 GLU C C 65 174.800 178.317 -3.517 1
1 556 . 2 1 1 A 65 65 GLU CA C 65 58.400 59.250 -0.850 1
1 557 . 2 1 1 A 65 65 GLU CB C 65 29.700 29.208 0.492 1
1 559 . 2 1 1 A 65 65 GLU N N 65 120.500 119.323 1.177 1
1 560 . 2 1 1 A 66 66 ASP H H 66 9.010 7.903 1.107 1
1 561 . 2 1 1 A 66 66 ASP HA H 66 4.390 4.270 0.120 1
1 564 . 2 1 1 A 66 66 ASP C C 66 175.000 175.903 -0.903 1
1 565 . 2 1 1 A 66 66 ASP CA C 66 55.800 57.124 -1.324 1
1 566 . 2 1 1 A 66 66 ASP CB C 66 39.800 41.091 -1.291 1
1 567 . 2 1 1 A 66 66 ASP N N 66 119.200 120.799 -1.599 1
1 568 . 2 1 1 A 67 67 LYS H H 67 7.800 7.859 -0.059 1
1 569 . 2 1 1 A 67 67 LYS C C 67 177.400 175.166 2.234 1
1 570 . 2 1 1 A 67 67 LYS CA C 67 54.700 57.097 -2.397 1
1 571 . 2 1 1 A 67 67 LYS CB C 67 38.400 30.941 7.459 1
1 575 . 2 1 1 A 67 67 LYS N N 67 117.200 118.818 -1.618 1
1 576 . 2 1 1 A 68 68 LYS H H 68 9.340 7.974 1.366 1
1 577 . 2 1 1 A 68 68 LYS HA H 68 4.400 4.214 0.186 1
1 586 . 2 1 1 A 68 68 LYS C C 68 177.500 178.002 -0.502 1
1 587 . 2 1 1 A 68 68 LYS CA C 68 55.900 56.549 -0.649 1
1 588 . 2 1 1 A 68 68 LYS CB C 68 32.700 32.502 0.198 1
1 592 . 2 1 1 A 68 68 LYS N N 68 125.800 120.232 5.568 1
1 593 . 2 1 1 A 69 69 LEU H H 69 8.710 8.576 0.134 1
1 594 . 2 1 1 A 69 69 LEU HA H 69 3.630 4.198 -0.568 1
1 603 . 2 1 1 A 69 69 LEU C C 69 178.400 178.804 -0.404 1
1 604 . 2 1 1 A 69 69 LEU CA C 69 60.300 57.893 2.407 1
1 605 . 2 1 1 A 69 69 LEU CB C 69 41.600 41.386 0.214 1
1 608 . 2 1 1 A 69 69 LEU N N 69 124.300 124.713 -0.413 1
1 609 . 2 1 1 A 70 70 LEU H H 70 8.700 8.147 0.553 1
1 610 . 2 1 1 A 70 70 LEU HA H 70 3.930 4.023 -0.093 1
1 620 . 2 1 1 A 70 70 LEU C C 70 179.400 178.646 0.754 1
1 621 . 2 1 1 A 70 70 LEU CA C 70 58.200 57.984 0.216 1
1 622 . 2 1 1 A 70 70 LEU CB C 70 41.700 41.015 0.685 1
1 626 . 2 1 1 A 70 70 LEU N N 70 116.100 119.325 -3.225 1
1 627 . 2 1 1 A 71 71 ASP H H 71 7.130 8.467 -1.337 1
1 628 . 2 1 1 A 71 71 ASP HA H 71 4.660 4.372 0.288 1
1 631 . 2 1 1 A 71 71 ASP C C 71 179.000 178.360 0.640 1
1 632 . 2 1 1 A 71 71 ASP CA C 71 57.100 57.604 -0.504 1
1 633 . 2 1 1 A 71 71 ASP CB C 71 40.800 40.919 -0.119 1
1 634 . 2 1 1 A 71 71 ASP N N 71 117.600 119.675 -2.075 1
1 635 . 2 1 1 A 72 72 ARG H H 72 8.190 7.892 0.298 1
1 636 . 2 1 1 A 72 72 ARG HA H 72 3.930 3.913 0.017 1
1 637 . 2 1 1 A 72 72 ARG C C 72 177.000 178.282 -1.282 1
1 638 . 2 1 1 A 72 72 ARG CA C 72 60.100 59.142 0.958 1
1 639 . 2 1 1 A 72 72 ARG CB C 72 29.300 29.878 -0.578 1
1 642 . 2 1 1 A 72 72 ARG N N 72 122.200 120.397 1.803 1
1 643 . 2 1 1 A 73 73 HIS H H 73 8.030 8.145 -0.115 1
1 644 . 2 1 1 A 73 73 HIS HA H 73 4.100 4.266 -0.166 1
1 648 . 2 1 1 A 73 73 HIS C C 73 177.300 176.997 0.303 1
1 649 . 2 1 1 A 73 73 HIS CA C 73 58.100 60.035 -1.935 1
1 650 . 2 1 1 A 73 73 HIS CB C 73 30.200 29.923 0.277 1
1 652 . 2 1 1 A 73 73 HIS N N 73 116.800 119.135 -2.335 1
1 653 . 2 1 1 A 74 74 ARG H H 74 8.290 8.115 0.175 1
1 654 . 2 1 1 A 74 74 ARG HA H 74 4.080 3.964 0.116 1
1 661 . 2 1 1 A 74 74 ARG C C 74 178.700 178.879 -0.179 1
1 662 . 2 1 1 A 74 74 ARG CA C 74 59.700 58.880 0.820 1
1 663 . 2 1 1 A 74 74 ARG CB C 74 30.400 30.050 0.350 1
1 666 . 2 1 1 A 74 74 ARG N N 74 118.200 118.566 -0.366 1
1 667 . 2 1 1 A 75 75 LEU H H 75 7.740 8.254 -0.514 1
1 668 . 2 1 1 A 75 75 LEU HA H 75 4.270 4.040 0.230 1
1 678 . 2 1 1 A 75 75 LEU CA C 75 58.300 58.086 0.214 1
1 679 . 2 1 1 A 75 75 LEU CB C 75 42.000 42.025 -0.025 1
1 683 . 2 1 1 A 75 75 LEU N N 75 121.200 120.946 0.254 1
1 684 . 2 1 1 A 76 76 VAL H H 76 7.590 7.775 -0.185 1
1 685 . 2 1 1 A 76 76 VAL HA H 76 3.360 3.450 -0.090 1
1 693 . 2 1 1 A 76 76 VAL C C 76 176.800 177.036 -0.236 1
1 694 . 2 1 1 A 76 76 VAL CA C 76 67.500 66.798 0.702 1
1 695 . 2 1 1 A 76 76 VAL CB C 76 31.500 31.235 0.265 1
1 698 . 2 1 1 A 76 76 VAL N N 76 119.300 117.719 1.581 1
1 699 . 2 1 1 A 77 77 ASN H H 77 8.690 7.803 0.887 1
1 700 . 2 1 1 A 77 77 ASN HA H 77 4.190 4.419 -0.229 1
1 705 . 2 1 1 A 77 77 ASN C C 77 178.000 178.340 -0.340 1
1 706 . 2 1 1 A 77 77 ASN CA C 77 55.400 56.027 -0.627 1
1 707 . 2 1 1 A 77 77 ASN CB C 77 37.600 37.566 0.034 1
1 708 . 2 1 1 A 77 77 ASN N N 77 117.100 118.154 -1.054 1
1 710 . 2 1 1 A 78 78 THR H H 78 8.050 8.112 -0.062 1
1 711 . 2 1 1 A 78 78 THR HA H 78 3.970 3.879 0.091 1
1 716 . 2 1 1 A 78 78 THR C C 78 176.900 176.286 0.614 1
1 717 . 2 1 1 A 78 78 THR CA C 78 66.700 67.249 -0.549 1
1 718 . 2 1 1 A 78 78 THR CB C 78 68.800 68.461 0.339 1
1 720 . 2 1 1 A 78 78 THR N N 78 116.300 117.565 -1.265 1
1 721 . 2 1 1 A 79 79 ILE H H 79 8.020 7.793 0.227 1
1 722 . 2 1 1 A 79 79 ILE HA H 79 3.670 3.821 -0.151 1
1 730 . 2 1 1 A 79 79 ILE CA C 79 65.000 64.147 0.853 1
1 731 . 2 1 1 A 79 79 ILE CB C 79 38.500 37.963 0.537 1
1 734 . 2 1 1 A 79 79 ILE N N 79 124.800 120.497 4.303 1
1 735 . 2 1 1 A 80 80 LEU H H 80 7.770 7.935 -0.165 1
1 745 . 2 1 1 A 80 80 LEU C C 80 176.000 178.616 -2.616 1
1 746 . 2 1 1 A 80 80 LEU CA C 80 52.900 55.378 -2.478 1
1 747 . 2 1 1 A 80 80 LEU CB C 80 41.100 41.615 -0.515 1
1 751 . 2 1 1 A 80 80 LEU N N 80 115.200 120.104 -4.904 1
1 752 . 2 1 1 A 81 81 LYS H H 81 6.880 7.754 -0.874 1
1 753 . 2 1 1 A 81 81 LYS HA H 81 3.820 3.880 -0.060 1
1 762 . 2 1 1 A 81 81 LYS C C 81 178.400 179.139 -0.739 1
1 763 . 2 1 1 A 81 81 LYS CA C 81 60.700 59.914 0.786 1
1 764 . 2 1 1 A 81 81 LYS CB C 81 32.800 32.521 0.279 1
1 768 . 2 1 1 A 81 81 LYS N N 81 120.300 121.309 -1.009 1
1 769 . 2 1 1 A 82 82 GLU H H 82 8.620 8.032 0.588 1
1 770 . 2 1 1 A 82 82 GLU HA H 82 4.020 4.073 -0.053 1
1 773 . 2 1 1 A 82 82 GLU C C 82 178.500 178.661 -0.161 1
1 774 . 2 1 1 A 82 82 GLU CA C 82 59.000 59.166 -0.166 1
1 775 . 2 1 1 A 82 82 GLU CB C 82 28.700 29.009 -0.309 1
1 777 . 2 1 1 A 82 82 GLU N N 82 116.700 118.925 -2.225 1
1 778 . 2 1 1 A 83 83 GLU H H 83 8.070 7.797 0.273 1
1 779 . 2 1 1 A 83 83 GLU HA H 83 3.980 3.952 0.028 1
1 784 . 2 1 1 A 83 83 GLU C C 83 179.300 178.968 0.332 1
1 785 . 2 1 1 A 83 83 GLU CA C 83 60.900 59.194 1.706 1
1 786 . 2 1 1 A 83 83 GLU CB C 83 28.900 29.450 -0.550 1
1 788 . 2 1 1 A 83 83 GLU N N 83 120.300 119.967 0.333 1
1 789 . 2 1 1 A 84 84 LEU H H 84 8.480 8.334 0.146 1
1 790 . 2 1 1 A 84 84 LEU HA H 84 3.910 3.941 -0.031 1
1 800 . 2 1 1 A 84 84 LEU C C 84 178.200 179.515 -1.315 1
1 801 . 2 1 1 A 84 84 LEU CA C 84 57.000 58.078 -1.078 1
1 802 . 2 1 1 A 84 84 LEU CB C 84 40.800 41.306 -0.506 1
1 806 . 2 1 1 A 84 84 LEU N N 84 116.700 120.004 -3.304 1
1 807 . 2 1 1 A 85 85 GLN H H 85 7.130 7.850 -0.720 1
1 808 . 2 1 1 A 85 85 GLN HA H 85 4.140 4.023 0.117 1
1 815 . 2 1 1 A 85 85 GLN C C 85 176.300 177.524 -1.224 1
1 816 . 2 1 1 A 85 85 GLN CA C 85 57.900 58.730 -0.830 1
1 817 . 2 1 1 A 85 85 GLN CB C 85 28.900 28.222 0.678 1
1 819 . 2 1 1 A 85 85 GLN N N 85 115.400 117.086 -1.686 1
1 821 . 2 1 1 A 86 86 ASN H H 86 7.630 8.028 -0.398 1
1 822 . 2 1 1 A 86 86 ASN HA H 86 5.020 4.840 0.180 1
1 827 . 2 1 1 A 86 86 ASN C C 86 174.100 175.079 -0.979 1
1 828 . 2 1 1 A 86 86 ASN CA C 86 52.800 54.068 -1.268 1
1 829 . 2 1 1 A 86 86 ASN CB C 86 40.400 39.250 1.150 1
1 830 . 2 1 1 A 86 86 ASN N N 86 114.000 115.649 -1.649 1
1 832 . 2 1 1 A 87 87 ILE H H 87 7.300 7.951 -0.651 1
1 833 . 2 1 1 A 87 87 ILE HA H 87 4.320 4.726 -0.406 1
1 843 . 2 1 1 A 87 87 ILE C C 87 174.500 176.316 -1.816 1
1 844 . 2 1 1 A 87 87 ILE CA C 87 60.400 59.687 0.713 1
1 845 . 2 1 1 A 87 87 ILE CB C 87 40.600 40.633 -0.033 1
1 849 . 2 1 1 A 87 87 ILE N N 87 119.300 119.359 -0.059 1
1 850 . 2 1 1 A 88 88 HIS H H 88 9.140 8.725 0.415 1
1 851 . 2 1 1 A 88 88 HIS HA H 88 4.680 4.408 0.272 1
1 855 . 2 1 1 A 88 88 HIS CA C 88 57.300 58.916 -1.616 1
1 856 . 2 1 1 A 88 88 HIS CB C 88 30.200 31.226 -1.026 1
1 858 . 2 1 1 A 88 88 HIS N N 88 125.000 124.883 0.117 1
1 859 . 2 1 1 A 89 89 ALA H H 89 7.600 7.469 0.131 1
1 860 . 2 1 1 A 89 89 ALA HA H 89 4.620 4.656 -0.036 1
1 864 . 2 1 1 A 89 89 ALA C C 89 174.300 175.452 -1.152 1
1 865 . 2 1 1 A 89 89 ALA CA C 89 52.300 51.389 0.911 1
1 866 . 2 1 1 A 89 89 ALA CB C 89 21.300 21.360 -0.060 1
1 867 . 2 1 1 A 89 89 ALA N N 89 120.100 118.584 1.516 1
1 868 . 2 1 1 A 90 90 PHE H H 90 8.830 9.275 -0.445 1
1 869 . 2 1 1 A 90 90 PHE HA H 90 5.220 5.406 -0.186 1
1 877 . 2 1 1 A 90 90 PHE C C 90 173.700 173.707 -0.007 1
1 878 . 2 1 1 A 90 90 PHE CA C 90 57.200 56.494 0.706 1
1 879 . 2 1 1 A 90 90 PHE CB C 90 42.000 41.962 0.038 1
1 885 . 2 1 1 A 90 90 PHE N N 90 126.100 126.373 -0.273 1
1 886 . 2 1 1 A 91 91 SER H H 91 8.320 9.070 -0.750 1
1 887 . 2 1 1 A 91 91 SER HA H 91 4.730 5.174 -0.444 1
1 891 . 2 1 1 A 91 91 SER C C 91 172.600 172.522 0.078 1
1 892 . 2 1 1 A 91 91 SER CA C 91 56.500 56.102 0.398 1
1 893 . 2 1 1 A 91 91 SER CB C 91 64.100 66.142 -2.042 1
1 894 . 2 1 1 A 91 91 SER N N 91 123.100 123.043 0.057 1
1 895 . 2 1 1 A 92 92 MET H H 92 8.660 9.113 -0.453 1
1 896 . 2 1 1 A 92 92 MET HA H 92 5.490 5.280 0.210 1
1 901 . 2 1 1 A 92 92 MET C C 92 174.300 173.772 0.528 1
1 902 . 2 1 1 A 92 92 MET CA C 92 53.600 53.300 0.300 1
1 903 . 2 1 1 A 92 92 MET CB C 92 37.500 35.024 2.476 1
1 906 . 2 1 1 A 92 92 MET N N 92 119.600 121.340 -1.740 1
1 907 . 2 1 1 A 93 93 LYS H H 93 8.190 9.192 -1.002 1
1 908 . 2 1 1 A 93 93 LYS HA H 93 4.450 4.927 -0.477 1
1 917 . 2 1 1 A 93 93 LYS C C 93 174.400 175.442 -1.042 1
1 918 . 2 1 1 A 93 93 LYS CA C 93 55.400 54.847 0.553 1
1 919 . 2 1 1 A 93 93 LYS CB C 93 34.700 34.299 0.401 1
1 923 . 2 1 1 A 93 93 LYS N N 93 122.700 123.111 -0.411 1
1 924 . 2 1 1 A 94 94 CYS H H 94 8.340 8.821 -0.481 1
1 925 . 2 1 1 A 94 94 CYS HA H 94 4.960 5.436 -0.476 1
1 928 . 2 1 1 A 94 94 CYS C C 94 173.600 173.837 -0.237 1
1 929 . 2 1 1 A 94 94 CYS CA C 94 56.600 57.926 -1.326 1
1 930 . 2 1 1 A 94 94 CYS CB C 94 29.800 29.593 0.207 1
1 931 . 2 1 1 A 94 94 CYS N N 94 120.300 125.700 -5.400 1
1 932 . 2 1 1 A 95 95 HIS H H 95 9.040 9.026 0.014 1
1 933 . 2 1 1 A 95 95 HIS HA H 95 5.440 5.081 0.359 1
1 936 . 2 1 1 A 95 95 HIS C C 95 175.700 173.225 2.475 1
1 937 . 2 1 1 A 95 95 HIS CA C 95 53.600 56.147 -2.547 1
1 938 . 2 1 1 A 95 95 HIS CB C 95 35.300 33.065 2.235 1
1 939 . 2 1 1 A 95 95 HIS N N 95 122.000 122.432 -0.432 1
1 940 . 2 1 1 A 96 96 THR H H 96 8.910 8.147 0.763 1
1 941 . 2 1 1 A 96 96 THR HA H 96 5.150 4.967 0.183 1
1 945 . 2 1 1 A 96 96 THR CA C 96 60.100 59.457 0.643 1
1 946 . 2 1 1 A 96 96 THR CB C 96 67.600 69.470 -1.870 1
1 948 . 2 1 1 A 96 96 THR N N 96 113.600 114.558 -0.958 1
1 949 . 2 1 1 A 97 97 PRO HA H 97 4.060 4.538 -0.478 1
1 956 . 2 1 1 A 97 97 PRO C C 97 178.600 179.022 -0.422 1
1 957 . 2 1 1 A 97 97 PRO CA C 97 66.600 65.565 1.035 1
1 958 . 2 1 1 A 97 97 PRO CB C 97 31.600 32.034 -0.434 1
1 961 . 2 1 1 A 98 98 LEU H H 98 8.410 7.570 0.840 1
1 962 . 2 1 1 A 98 98 LEU HA H 98 4.230 4.021 0.209 1
1 971 . 2 1 1 A 98 98 LEU C C 98 179.800 179.627 0.173 1
1 972 . 2 1 1 A 98 98 LEU CA C 98 58.200 57.645 0.555 1
1 973 . 2 1 1 A 98 98 LEU CB C 98 42.000 41.473 0.527 1
1 976 . 2 1 1 A 98 98 LEU N N 98 118.300 116.232 2.068 1
1 977 . 2 1 1 A 99 99 GLU H H 99 7.660 8.344 -0.684 1
1 978 . 2 1 1 A 99 99 GLU HA H 99 3.900 4.022 -0.122 1
1 983 . 2 1 1 A 99 99 GLU C C 99 180.200 178.734 1.466 1
1 984 . 2 1 1 A 99 99 GLU CA C 99 58.400 59.806 -1.406 1
1 985 . 2 1 1 A 99 99 GLU CB C 99 30.400 29.465 0.935 1
1 987 . 2 1 1 A 99 99 GLU N N 99 118.100 118.032 0.068 1
1 988 . 2 1 1 A 100 100 TYR H H 100 8.770 8.318 0.452 1
1 989 . 2 1 1 A 100 100 TYR HA H 100 3.860 4.156 -0.296 1
1 996 . 2 1 1 A 100 100 TYR C C 100 176.800 177.298 -0.498 1
1 997 . 2 1 1 A 100 100 TYR CA C 100 60.800 61.355 -0.555 1
1 998 . 2 1 1 A 100 100 TYR CB C 100 39.200 38.767 0.433 1
1 1003 . 2 1 1 A 100 100 TYR N N 100 120.100 122.480 -2.380 1
1 1004 . 2 1 1 A 101 101 ASP H H 101 8.100 8.498 -0.398 1
1 1005 . 2 1 1 A 101 101 ASP HA H 101 4.180 4.072 0.108 1
1 1008 . 2 1 1 A 101 101 ASP C C 101 178.700 178.485 0.215 1
1 1009 . 2 1 1 A 101 101 ASP CA C 101 57.300 57.440 -0.140 1
1 1010 . 2 1 1 A 101 101 ASP CB C 101 40.800 41.921 -1.121 1
1 1011 . 2 1 1 A 101 101 ASP N N 101 118.400 118.961 -0.561 1
1 1012 . 2 1 1 A 102 102 LYS H H 102 7.480 7.929 -0.449 1
1 1013 . 2 1 1 A 102 102 LYS HA H 102 4.070 4.070 0.000 1
1 1020 . 2 1 1 A 102 102 LYS CA C 102 58.300 58.713 -0.413 1
1 1021 . 2 1 1 A 102 102 LYS CB C 102 32.300 32.086 0.214 1
1 1024 . 2 1 1 A 102 102 LYS N N 102 117.500 118.812 -1.312 1
1 1025 . 2 1 1 A 103 103 LEU H H 103 7.580 8.025 -0.445 1
1 1026 . 2 1 1 A 103 103 LEU HA H 103 4.050 3.928 0.122 1
1 1036 . 2 1 1 A 103 103 LEU C C 103 178.700 179.768 -1.068 1
1 1037 . 2 1 1 A 103 103 LEU CA C 103 56.800 57.808 -1.008 1
1 1038 . 2 1 1 A 103 103 LEU CB C 103 42.000 41.010 0.990 1
1 1042 . 2 1 1 A 103 103 LEU N N 103 120.100 120.527 -0.427 1
1 1043 . 2 1 1 A 104 104 LYS H H 104 7.730 7.823 -0.093 1
1 1044 . 2 1 1 A 104 104 LYS HA H 104 3.960 3.960 0.000 1
1 1053 . 2 1 1 A 104 104 LYS CA C 104 56.700 58.162 -1.462 1
1 1054 . 2 1 1 A 104 104 LYS CB C 104 31.700 30.861 0.839 1
1 1058 . 2 1 1 A 104 104 LYS N N 104 118.500 118.344 0.156 1
1 1059 . 2 1 1 A 105 105 SER H H 105 7.790 7.355 0.435 1
1 1060 . 2 1 1 A 105 105 SER HA H 105 4.330 4.234 0.096 1
1 1063 . 2 1 1 A 105 105 SER C C 105 174.700 175.277 -0.577 1
1 1064 . 2 1 1 A 105 105 SER CA C 105 58.900 60.891 -1.991 1
1 1065 . 2 1 1 A 105 105 SER CB C 105 63.500 63.577 -0.077 1
1 1066 . 2 1 1 A 105 105 SER N N 105 114.900 115.014 -0.114 1
1 1067 . 2 1 1 A 106 106 LYS H H 106 8.000 7.565 0.435 1
1 1068 . 2 1 1 A 106 106 LYS HA H 106 4.300 4.330 -0.030 1
1 1077 . 2 1 1 A 106 106 LYS C C 106 177.000 177.285 -0.285 1
1 1078 . 2 1 1 A 106 106 LYS CA C 106 56.600 56.572 0.028 1
1 1079 . 2 1 1 A 106 106 LYS CB C 106 32.800 34.300 -1.500 1
1 1081 . 2 1 1 A 106 106 LYS N N 106 122.400 116.625 5.775 1
1 1082 . 2 1 1 A 107 107 GLY H H 107 8.310 8.546 -0.236 1
1 1083 . 2 1 1 A 107 107 GLY HA2 H 107 3.990 4.004 -0.014 1
1 1084 . 2 1 1 A 107 107 GLY HA3 H 107 3.990 4.015 -0.025 1
1 1085 . 2 1 1 A 107 107 GLY CA C 107 45.300 45.242 0.058 1
1 1086 . 2 1 1 A 107 107 GLY N N 107 110.000 109.767 0.233 1
1 1 . 3 1 1 A 11 11 SER HA H 11 4.510 4.685 -0.175 1
1 4 . 3 1 1 A 11 11 SER C C 11 174.600 174.358 0.242 1
1 5 . 3 1 1 A 11 11 SER CA C 11 58.400 57.448 0.952 1
1 6 . 3 1 1 A 11 11 SER CB C 11 63.800 63.537 0.263 1
1 7 . 3 1 1 A 12 12 SER H H 12 8.630 8.641 -0.011 1
1 8 . 3 1 1 A 12 12 SER HA H 12 4.500 4.242 0.258 1
1 11 . 3 1 1 A 12 12 SER C C 12 175.000 175.200 -0.200 1
1 12 . 3 1 1 A 12 12 SER CA C 12 58.600 59.993 -1.393 1
1 13 . 3 1 1 A 12 12 SER CB C 12 63.900 62.713 1.187 1
1 14 . 3 1 1 A 12 12 SER N N 12 118.300 116.269 2.031 1
1 15 . 3 1 1 A 13 13 GLY H H 13 8.560 9.499 -0.939 1
1 16 . 3 1 1 A 13 13 GLY HA2 H 13 4.050 3.990 0.060 1
1 17 . 3 1 1 A 13 13 GLY HA3 H 13 4.050 4.005 0.045 1
1 18 . 3 1 1 A 13 13 GLY C C 13 174.300 174.871 -0.571 1
1 19 . 3 1 1 A 13 13 GLY CA C 13 45.400 45.272 0.128 1
1 20 . 3 1 1 A 13 13 GLY N N 13 111.000 115.337 -4.337 1
1 21 . 3 1 1 A 14 14 ARG H H 14 8.260 8.143 0.117 1
1 22 . 3 1 1 A 14 14 ARG HA H 14 4.320 4.214 0.106 1
1 29 . 3 1 1 A 14 14 ARG C C 14 176.400 176.876 -0.476 1
1 30 . 3 1 1 A 14 14 ARG CA C 14 56.300 58.064 -1.764 1
1 31 . 3 1 1 A 14 14 ARG CB C 14 30.600 31.138 -0.538 1
1 34 . 3 1 1 A 14 14 ARG N N 14 120.400 119.253 1.147 1
1 35 . 3 1 1 A 15 15 GLU H H 15 8.660 8.311 0.349 1
1 36 . 3 1 1 A 15 15 GLU HA H 15 4.210 4.339 -0.129 1
1 41 . 3 1 1 A 15 15 GLU C C 15 176.200 177.105 -0.905 1
1 42 . 3 1 1 A 15 15 GLU CA C 15 57.200 56.756 0.444 1
1 43 . 3 1 1 A 15 15 GLU CB C 15 29.700 29.028 0.672 1
1 45 . 3 1 1 A 15 15 GLU N N 15 121.100 118.102 2.998 1
1 46 . 3 1 1 A 16 16 ASN H H 16 8.420 8.680 -0.260 1
1 47 . 3 1 1 A 16 16 ASN HA H 16 4.680 4.331 0.349 1
1 52 . 3 1 1 A 16 16 ASN C C 16 175.100 176.335 -1.235 1
1 53 . 3 1 1 A 16 16 ASN CA C 16 53.300 54.376 -1.076 1
1 54 . 3 1 1 A 16 16 ASN CB C 16 38.700 36.501 2.199 1
1 55 . 3 1 1 A 16 16 ASN N N 16 118.900 119.572 -0.672 1
1 57 . 3 1 1 A 17 17 LEU H H 17 8.110 7.640 0.470 1
1 58 . 3 1 1 A 17 17 LEU HA H 17 4.210 4.079 0.131 1
1 68 . 3 1 1 A 17 17 LEU C C 17 177.000 176.540 0.460 1
1 69 . 3 1 1 A 17 17 LEU CA C 17 55.600 56.236 -0.636 1
1 70 . 3 1 1 A 17 17 LEU CB C 17 42.200 42.087 0.113 1
1 74 . 3 1 1 A 17 17 LEU N N 17 121.900 118.026 3.874 1
1 75 . 3 1 1 A 18 18 TYR H H 18 8.070 7.812 0.258 1
1 76 . 3 1 1 A 18 18 TYR HA H 18 4.530 4.950 -0.420 1
1 83 . 3 1 1 A 18 18 TYR C C 18 175.700 176.698 -0.998 1
1 84 . 3 1 1 A 18 18 TYR CA C 18 58.000 57.332 0.668 1
1 85 . 3 1 1 A 18 18 TYR CB C 18 38.700 40.149 -1.449 1
1 90 . 3 1 1 A 18 18 TYR N N 18 119.500 118.392 1.108 1
1 91 . 3 1 1 A 19 19 PHE H H 19 8.120 9.093 -0.973 1
1 92 . 3 1 1 A 19 19 PHE HA H 19 4.560 4.421 0.139 1
1 99 . 3 1 1 A 19 19 PHE C C 19 175.500 176.475 -0.975 1
1 100 . 3 1 1 A 19 19 PHE CA C 19 57.900 60.912 -3.012 1
1 101 . 3 1 1 A 19 19 PHE CB C 19 39.500 38.348 1.152 1
1 106 . 3 1 1 A 19 19 PHE N N 19 121.200 122.479 -1.279 1
1 107 . 3 1 1 A 20 20 GLN H H 20 8.300 7.578 0.722 1
1 108 . 3 1 1 A 20 20 GLN HA H 20 4.200 4.118 0.082 1
1 115 . 3 1 1 A 20 20 GLN C C 20 176.000 176.798 -0.798 1
1 116 . 3 1 1 A 20 20 GLN CA C 20 56.100 56.077 0.023 1
1 117 . 3 1 1 A 20 20 GLN CB C 20 29.100 27.424 1.676 1
1 119 . 3 1 1 A 20 20 GLN N N 20 121.700 116.664 5.036 1
1 121 . 3 1 1 A 21 21 GLY H H 21 7.970 8.257 -0.287 1
1 122 . 3 1 1 A 21 21 GLY HA2 H 21 3.940 3.968 -0.028 1
1 123 . 3 1 1 A 21 21 GLY HA3 H 21 3.830 4.050 -0.220 1
1 124 . 3 1 1 A 21 21 GLY CA C 21 45.400 45.449 -0.049 1
1 125 . 3 1 1 A 21 21 GLY N N 21 108.500 109.053 -0.553 1
1 126 . 3 1 1 A 22 22 HIS H H 22 8.280 7.914 0.366 1
1 127 . 3 1 1 A 22 22 HIS C C 22 174.000 173.421 0.579 1
1 128 . 3 1 1 A 22 22 HIS CA C 22 56.000 54.024 1.976 1
1 129 . 3 1 1 A 22 22 HIS CB C 22 29.900 32.182 -2.282 1
1 130 . 3 1 1 A 22 22 HIS N N 22 118.700 115.855 2.845 1
1 134 . 3 1 1 A 23 23 MET C C 23 175.900 175.037 0.863 1
1 135 . 3 1 1 A 23 23 MET CB C 23 32.700 36.821 -4.121 1
1 137 . 3 1 1 A 24 24 CYS H H 24 8.390 8.790 -0.400 1
1 138 . 3 1 1 A 24 24 CYS HA H 24 4.620 4.588 0.032 1
1 141 . 3 1 1 A 24 24 CYS C C 24 175.400 175.807 -0.407 1
1 142 . 3 1 1 A 24 24 CYS CA C 24 58.000 59.262 -1.262 1
1 143 . 3 1 1 A 24 24 CYS CB C 24 27.900 27.732 0.168 1
1 144 . 3 1 1 A 24 24 CYS N N 24 120.600 120.845 -0.245 1
1 145 . 3 1 1 A 25 25 ILE H H 25 8.550 8.632 -0.082 1
1 146 . 3 1 1 A 25 25 ILE HA H 25 4.010 3.922 0.088 1
1 156 . 3 1 1 A 25 25 ILE C C 25 176.200 176.913 -0.713 1
1 157 . 3 1 1 A 25 25 ILE CA C 25 63.400 64.182 -0.782 1
1 158 . 3 1 1 A 25 25 ILE CB C 25 38.100 37.876 0.224 1
1 162 . 3 1 1 A 25 25 ILE N N 25 124.600 127.364 -2.764 1
1 163 . 3 1 1 A 26 26 GLN H H 26 8.860 8.237 0.623 1
1 164 . 3 1 1 A 26 26 GLN HA H 26 3.340 3.649 -0.309 1
1 171 . 3 1 1 A 26 26 GLN C C 26 176.800 177.884 -1.084 1
1 172 . 3 1 1 A 26 26 GLN CA C 26 60.200 59.008 1.192 1
1 173 . 3 1 1 A 26 26 GLN CB C 26 27.800 28.115 -0.315 1
1 175 . 3 1 1 A 26 26 GLN N N 26 121.900 121.263 0.637 1
1 177 . 3 1 1 A 27 27 LYS H H 27 7.340 7.455 -0.115 1
1 178 . 3 1 1 A 27 27 LYS HA H 27 4.070 4.096 -0.026 1
1 181 . 3 1 1 A 27 27 LYS C C 27 177.900 178.706 -0.806 1
1 182 . 3 1 1 A 27 27 LYS CA C 27 58.300 59.005 -0.705 1
1 183 . 3 1 1 A 27 27 LYS CB C 27 31.800 32.417 -0.617 1
1 187 . 3 1 1 A 27 27 LYS N N 27 117.700 119.822 -2.122 1
1 188 . 3 1 1 A 28 28 VAL H H 28 7.570 7.860 -0.290 1
1 189 . 3 1 1 A 28 28 VAL HA H 28 3.680 3.789 -0.109 1
1 197 . 3 1 1 A 28 28 VAL C C 28 178.600 177.675 0.925 1
1 198 . 3 1 1 A 28 28 VAL CA C 28 66.400 65.324 1.076 1
1 199 . 3 1 1 A 28 28 VAL CB C 28 31.800 31.355 0.445 1
1 202 . 3 1 1 A 28 28 VAL N N 28 119.900 118.910 0.990 1
1 203 . 3 1 1 A 29 29 ILE H H 29 8.180 8.064 0.116 1
1 204 . 3 1 1 A 29 29 ILE HA H 29 3.290 3.725 -0.435 1
1 212 . 3 1 1 A 29 29 ILE C C 29 177.500 178.038 -0.538 1
1 213 . 3 1 1 A 29 29 ILE CA C 29 65.900 65.740 0.160 1
1 214 . 3 1 1 A 29 29 ILE CB C 29 37.600 37.825 -0.225 1
1 218 . 3 1 1 A 29 29 ILE N N 29 118.500 121.890 -3.390 1
1 219 . 3 1 1 A 30 30 GLU H H 30 8.370 8.219 0.151 1
1 220 . 3 1 1 A 30 30 GLU HA H 30 3.610 3.835 -0.225 1
1 225 . 3 1 1 A 30 30 GLU C C 30 179.000 178.133 0.867 1
1 226 . 3 1 1 A 30 30 GLU CA C 30 60.400 59.806 0.594 1
1 227 . 3 1 1 A 30 30 GLU CB C 30 29.600 28.802 0.798 1
1 229 . 3 1 1 A 30 30 GLU N N 30 119.200 120.695 -1.495 1
1 230 . 3 1 1 A 31 31 ASP H H 31 8.710 8.204 0.506 1
1 231 . 3 1 1 A 31 31 ASP HA H 31 4.370 4.284 0.086 1
1 234 . 3 1 1 A 31 31 ASP CA C 31 57.600 57.282 0.318 1
1 235 . 3 1 1 A 31 31 ASP CB C 31 40.200 40.947 -0.747 1
1 236 . 3 1 1 A 31 31 ASP N N 31 125.100 120.095 5.005 1
1 237 . 3 1 1 A 32 32 LYS H H 32 8.430 7.561 0.869 1
1 238 . 3 1 1 A 32 32 LYS HA H 32 4.030 4.047 -0.017 1
1 243 . 3 1 1 A 32 32 LYS C C 32 180.300 179.576 0.724 1
1 244 . 3 1 1 A 32 32 LYS CA C 32 60.400 59.296 1.104 1
1 245 . 3 1 1 A 32 32 LYS CB C 32 33.100 32.285 0.815 1
1 248 . 3 1 1 A 32 32 LYS N N 32 120.700 119.314 1.386 1
1 249 . 3 1 1 A 33 33 LEU H H 33 8.580 7.573 1.007 1
1 250 . 3 1 1 A 33 33 LEU HA H 33 4.000 4.008 -0.008 1
1 260 . 3 1 1 A 33 33 LEU C C 33 179.200 179.138 0.062 1
1 261 . 3 1 1 A 33 33 LEU CA C 33 58.000 57.879 0.121 1
1 262 . 3 1 1 A 33 33 LEU CB C 33 42.500 41.152 1.348 1
1 266 . 3 1 1 A 33 33 LEU N N 33 117.200 117.603 -0.403 1
1 267 . 3 1 1 A 34 34 SER H H 34 8.670 8.088 0.582 1
1 268 . 3 1 1 A 34 34 SER HA H 34 4.100 4.174 -0.074 1
1 271 . 3 1 1 A 34 34 SER C C 34 176.900 176.788 0.112 1
1 272 . 3 1 1 A 34 34 SER CA C 34 62.500 61.777 0.723 1
1 273 . 3 1 1 A 34 34 SER CB C 34 62.500 62.893 -0.393 1
1 274 . 3 1 1 A 34 34 SER N N 34 115.500 117.745 -2.245 1
1 275 . 3 1 1 A 35 35 SER H H 35 8.080 7.756 0.324 1
1 276 . 3 1 1 A 35 35 SER HA H 35 4.200 4.195 0.005 1
1 279 . 3 1 1 A 35 35 SER C C 35 175.900 175.737 0.163 1
1 280 . 3 1 1 A 35 35 SER CA C 35 60.900 61.393 -0.493 1
1 281 . 3 1 1 A 35 35 SER CB C 35 62.900 63.237 -0.337 1
1 282 . 3 1 1 A 35 35 SER N N 35 115.300 117.275 -1.975 1
1 283 . 3 1 1 A 36 36 ALA H H 36 7.570 7.447 0.123 1
1 284 . 3 1 1 A 36 36 ALA HA H 36 4.340 4.310 0.030 1
1 288 . 3 1 1 A 36 36 ALA C C 36 179.200 179.935 -0.735 1
1 289 . 3 1 1 A 36 36 ALA CA C 36 54.300 54.411 -0.111 1
1 290 . 3 1 1 A 36 36 ALA CB C 36 20.900 19.378 1.522 1
1 291 . 3 1 1 A 36 36 ALA N N 36 119.000 123.059 -4.059 1
1 292 . 3 1 1 A 37 37 LEU H H 37 7.960 8.197 -0.237 1
1 293 . 3 1 1 A 37 37 LEU HA H 37 4.530 4.228 0.302 1
1 303 . 3 1 1 A 37 37 LEU CA C 37 53.500 55.855 -2.355 1
1 304 . 3 1 1 A 37 37 LEU CB C 37 42.600 42.433 0.167 1
1 308 . 3 1 1 A 37 37 LEU N N 37 111.800 116.501 -4.701 1
1 309 . 3 1 1 A 38 38 LYS H H 38 7.600 7.603 -0.003 1
1 310 . 3 1 1 A 38 38 LYS HA H 38 4.250 4.087 0.163 1
1 313 . 3 1 1 A 38 38 LYS CA C 38 56.200 56.708 -0.508 1
1 314 . 3 1 1 A 38 38 LYS CB C 38 30.800 30.663 0.137 1
1 315 . 3 1 1 A 38 38 LYS N N 38 117.200 115.552 1.648 1
1 316 . 3 1 1 A 39 39 PRO HA H 39 4.670 4.589 0.081 1
1 323 . 3 1 1 A 39 39 PRO C C 39 178.100 177.847 0.253 1
1 324 . 3 1 1 A 39 39 PRO CA C 39 63.300 62.061 1.239 1
1 325 . 3 1 1 A 39 39 PRO CB C 39 32.700 32.309 0.391 1
1 328 . 3 1 1 A 40 40 THR H H 40 8.500 8.449 0.051 1
1 329 . 3 1 1 A 40 40 THR HA H 40 4.290 4.129 0.161 1
1 334 . 3 1 1 A 40 40 THR C C 40 175.700 174.472 1.228 1
1 335 . 3 1 1 A 40 40 THR CA C 40 63.200 64.521 -1.321 1
1 336 . 3 1 1 A 40 40 THR CB C 40 67.600 69.129 -1.529 1
1 338 . 3 1 1 A 40 40 THR N N 40 114.500 114.594 -0.094 1
1 339 . 3 1 1 A 41 41 PHE H H 41 7.300 7.703 -0.403 1
1 340 . 3 1 1 A 41 41 PHE HA H 41 4.510 4.710 -0.200 1
1 347 . 3 1 1 A 41 41 PHE C C 41 171.500 172.895 -1.395 1
1 348 . 3 1 1 A 41 41 PHE CA C 41 58.800 56.995 1.805 1
1 349 . 3 1 1 A 41 41 PHE CB C 41 41.000 42.345 -1.345 1
1 354 . 3 1 1 A 41 41 PHE N N 41 121.100 120.796 0.304 1
1 355 . 3 1 1 A 42 42 LEU H H 42 7.530 8.272 -0.742 1
1 356 . 3 1 1 A 42 42 LEU HA H 42 4.910 5.015 -0.105 1
1 366 . 3 1 1 A 42 42 LEU C C 42 173.700 174.054 -0.354 1
1 367 . 3 1 1 A 42 42 LEU CA C 42 53.500 53.890 -0.390 1
1 368 . 3 1 1 A 42 42 LEU CB C 42 45.300 45.843 -0.543 1
1 372 . 3 1 1 A 42 42 LEU N N 42 129.100 128.259 0.841 1
1 373 . 3 1 1 A 43 43 GLU H H 43 8.690 8.711 -0.021 1
1 374 . 3 1 1 A 43 43 GLU HA H 43 4.400 4.896 -0.496 1
1 379 . 3 1 1 A 43 43 GLU C C 43 173.500 174.486 -0.986 1
1 380 . 3 1 1 A 43 43 GLU CA C 43 55.800 54.472 1.328 1
1 381 . 3 1 1 A 43 43 GLU CB C 43 34.100 33.469 0.631 1
1 383 . 3 1 1 A 43 43 GLU N N 43 126.900 126.732 0.168 1
1 384 . 3 1 1 A 44 44 LEU H H 44 9.000 8.714 0.286 1
1 385 . 3 1 1 A 44 44 LEU HA H 44 5.130 4.859 0.271 1
1 395 . 3 1 1 A 44 44 LEU C C 44 175.100 176.051 -0.951 1
1 396 . 3 1 1 A 44 44 LEU CA C 44 53.700 53.476 0.224 1
1 397 . 3 1 1 A 44 44 LEU CB C 44 44.600 41.281 3.319 1
1 401 . 3 1 1 A 44 44 LEU N N 44 129.900 128.412 1.488 1
1 402 . 3 1 1 A 45 45 VAL H H 45 9.000 9.337 -0.337 1
1 403 . 3 1 1 A 45 45 VAL HA H 45 4.370 4.619 -0.249 1
1 411 . 3 1 1 A 45 45 VAL C C 45 175.100 173.822 1.278 1
1 412 . 3 1 1 A 45 45 VAL CA C 45 61.200 61.627 -0.427 1
1 413 . 3 1 1 A 45 45 VAL CB C 45 35.400 33.170 2.230 1
1 416 . 3 1 1 A 45 45 VAL N N 45 122.300 125.135 -2.835 1
1 417 . 3 1 1 A 46 46 ASP H H 46 9.080 9.162 -0.082 1
1 418 . 3 1 1 A 46 46 ASP HA H 46 4.530 5.043 -0.513 1
1 421 . 3 1 1 A 46 46 ASP C C 46 176.900 175.139 1.761 1
1 422 . 3 1 1 A 46 46 ASP CA C 46 53.900 53.431 0.469 1
1 423 . 3 1 1 A 46 46 ASP CB C 46 40.600 42.715 -2.115 1
1 424 . 3 1 1 A 46 46 ASP N N 46 127.400 128.353 -0.953 1
1 425 . 3 1 1 A 47 47 LYS H H 47 8.490 8.820 -0.330 1
1 426 . 3 1 1 A 47 47 LYS HA H 47 4.560 4.591 -0.031 1
1 427 . 3 1 1 A 47 47 LYS CA C 47 54.200 55.210 -1.010 1
1 428 . 3 1 1 A 47 47 LYS CB C 47 30.400 33.496 -3.096 1
1 429 . 3 1 1 A 47 47 LYS N N 47 129.500 127.282 2.218 1
1 430 . 3 1 1 A 54 54 SER HA H 54 5.550 5.085 0.465 1
1 433 . 3 1 1 A 54 54 SER C C 54 172.900 173.024 -0.124 1
1 434 . 3 1 1 A 54 54 SER CA C 54 57.300 57.474 -0.174 1
1 435 . 3 1 1 A 54 54 SER CB C 54 65.800 65.719 0.081 1
1 436 . 3 1 1 A 55 55 PHE H H 55 8.340 9.324 -0.984 1
1 437 . 3 1 1 A 55 55 PHE HA H 55 5.700 5.025 0.675 1
1 442 . 3 1 1 A 55 55 PHE C C 55 174.400 174.012 0.388 1
1 443 . 3 1 1 A 55 55 PHE CA C 55 56.700 55.920 0.780 1
1 444 . 3 1 1 A 55 55 PHE CB C 55 45.300 41.901 3.399 1
1 447 . 3 1 1 A 55 55 PHE N N 55 119.600 124.999 -5.399 1
1 448 . 3 1 1 A 56 56 ASP H H 56 8.840 9.288 -0.448 1
1 449 . 3 1 1 A 56 56 ASP HA H 56 5.350 5.090 0.260 1
1 452 . 3 1 1 A 56 56 ASP C C 56 174.400 174.839 -0.439 1
1 453 . 3 1 1 A 56 56 ASP CA C 56 52.900 52.559 0.341 1
1 454 . 3 1 1 A 56 56 ASP CB C 56 43.700 41.788 1.912 1
1 455 . 3 1 1 A 56 56 ASP N N 56 121.500 124.309 -2.809 1
1 456 . 3 1 1 A 57 57 ALA H H 57 8.780 8.935 -0.155 1
1 457 . 3 1 1 A 57 57 ALA HA H 57 5.620 5.299 0.321 1
1 461 . 3 1 1 A 57 57 ALA C C 57 176.400 176.213 0.187 1
1 462 . 3 1 1 A 57 57 ALA CA C 57 50.200 50.098 0.102 1
1 463 . 3 1 1 A 57 57 ALA CB C 57 23.600 20.646 2.954 1
1 464 . 3 1 1 A 57 57 ALA N N 57 125.000 129.503 -4.503 1
1 465 . 3 1 1 A 58 58 VAL H H 58 9.080 8.670 0.410 1
1 466 . 3 1 1 A 58 58 VAL HA H 58 4.580 4.336 0.244 1
1 474 . 3 1 1 A 58 58 VAL C C 58 175.000 174.574 0.426 1
1 475 . 3 1 1 A 58 58 VAL CA C 58 62.800 63.157 -0.357 1
1 476 . 3 1 1 A 58 58 VAL CB C 58 34.100 31.425 2.675 1
1 479 . 3 1 1 A 58 58 VAL N N 58 125.100 123.083 2.017 1
1 480 . 3 1 1 A 59 59 ILE H H 59 8.750 9.076 -0.326 1
1 481 . 3 1 1 A 59 59 ILE HA H 59 4.430 4.895 -0.465 1
1 489 . 3 1 1 A 59 59 ILE C C 59 173.900 173.973 -0.073 1
1 490 . 3 1 1 A 59 59 ILE CA C 59 60.900 60.086 0.814 1
1 491 . 3 1 1 A 59 59 ILE CB C 59 41.100 40.296 0.804 1
1 495 . 3 1 1 A 59 59 ILE N N 59 125.000 129.494 -4.494 1
1 496 . 3 1 1 A 60 60 VAL H H 60 8.540 9.256 -0.716 1
1 497 . 3 1 1 A 60 60 VAL HA H 60 5.540 5.540 0.000 1
1 505 . 3 1 1 A 60 60 VAL C C 60 175.900 174.908 0.992 1
1 506 . 3 1 1 A 60 60 VAL CA C 60 60.200 61.288 -1.088 1
1 507 . 3 1 1 A 60 60 VAL CB C 60 31.800 32.423 -0.623 1
1 510 . 3 1 1 A 60 60 VAL N N 60 128.600 131.790 -3.190 1
1 511 . 3 1 1 A 61 61 SER H H 61 8.720 8.741 -0.021 1
1 512 . 3 1 1 A 61 61 SER HA H 61 5.000 5.213 -0.213 1
1 515 . 3 1 1 A 61 61 SER C C 61 175.700 174.218 1.482 1
1 516 . 3 1 1 A 61 61 SER CA C 61 56.500 56.402 0.098 1
1 517 . 3 1 1 A 61 61 SER CB C 61 64.400 65.603 -1.203 1
1 518 . 3 1 1 A 61 61 SER N N 61 115.900 121.873 -5.973 1
1 519 . 3 1 1 A 62 62 ASN H H 62 9.650 9.173 0.477 1
1 520 . 3 1 1 A 62 62 ASN HA H 62 4.670 4.566 0.104 1
1 525 . 3 1 1 A 62 62 ASN CA C 62 56.500 55.673 0.827 1
1 526 . 3 1 1 A 62 62 ASN CB C 62 38.600 38.119 0.481 1
1 528 . 3 1 1 A 62 62 ASN N N 62 129.400 124.980 4.420 1
1 530 . 3 1 1 A 63 63 ASN H H 63 8.920 8.288 0.632 1
1 531 . 3 1 1 A 63 63 ASN HA H 63 4.490 4.551 -0.061 1
1 536 . 3 1 1 A 63 63 ASN C C 63 175.200 177.265 -2.065 1
1 537 . 3 1 1 A 63 63 ASN CA C 63 55.700 55.316 0.384 1
1 538 . 3 1 1 A 63 63 ASN CB C 63 37.600 38.610 -1.010 1
1 539 . 3 1 1 A 63 63 ASN N N 63 119.500 118.345 1.155 1
1 541 . 3 1 1 A 64 64 PHE H H 64 6.950 8.069 -1.119 1
1 542 . 3 1 1 A 64 64 PHE HA H 64 4.690 4.248 0.442 1
1 545 . 3 1 1 A 64 64 PHE C C 64 174.200 177.739 -3.539 1
1 546 . 3 1 1 A 64 64 PHE CA C 64 54.900 59.897 -4.997 1
1 547 . 3 1 1 A 64 64 PHE CB C 64 37.500 39.933 -2.433 1
1 548 . 3 1 1 A 64 64 PHE N N 64 113.700 120.149 -6.449 1
1 549 . 3 1 1 A 65 65 GLU H H 65 7.470 8.494 -1.024 1
1 550 . 3 1 1 A 65 65 GLU HA H 65 4.010 4.056 -0.046 1
1 555 . 3 1 1 A 65 65 GLU C C 65 174.800 177.435 -2.635 1
1 556 . 3 1 1 A 65 65 GLU CA C 65 58.400 58.682 -0.282 1
1 557 . 3 1 1 A 65 65 GLU CB C 65 29.700 28.093 1.607 1
1 559 . 3 1 1 A 65 65 GLU N N 65 120.500 117.576 2.924 1
1 560 . 3 1 1 A 66 66 ASP H H 66 9.010 7.877 1.133 1
1 561 . 3 1 1 A 66 66 ASP HA H 66 4.390 4.551 -0.161 1
1 564 . 3 1 1 A 66 66 ASP C C 66 175.000 176.278 -1.278 1
1 565 . 3 1 1 A 66 66 ASP CA C 66 55.800 54.283 1.517 1
1 566 . 3 1 1 A 66 66 ASP CB C 66 39.800 40.908 -1.108 1
1 567 . 3 1 1 A 66 66 ASP N N 66 119.200 118.853 0.347 1
1 568 . 3 1 1 A 67 67 LYS H H 67 7.800 7.745 0.055 1
1 569 . 3 1 1 A 67 67 LYS C C 67 177.400 175.257 2.143 1
1 570 . 3 1 1 A 67 67 LYS CA C 67 54.700 57.539 -2.839 1
1 571 . 3 1 1 A 67 67 LYS CB C 67 38.400 31.030 7.370 1
1 575 . 3 1 1 A 67 67 LYS N N 67 117.200 117.802 -0.602 1
1 576 . 3 1 1 A 68 68 LYS H H 68 9.340 8.029 1.311 1
1 577 . 3 1 1 A 68 68 LYS HA H 68 4.400 4.428 -0.028 1
1 586 . 3 1 1 A 68 68 LYS C C 68 177.500 177.645 -0.145 1
1 587 . 3 1 1 A 68 68 LYS CA C 68 55.900 55.280 0.620 1
1 588 . 3 1 1 A 68 68 LYS CB C 68 32.700 31.296 1.404 1
1 592 . 3 1 1 A 68 68 LYS N N 68 125.800 119.081 6.719 1
1 593 . 3 1 1 A 69 69 LEU H H 69 8.710 8.439 0.271 1
1 594 . 3 1 1 A 69 69 LEU HA H 69 3.630 3.941 -0.311 1
1 603 . 3 1 1 A 69 69 LEU C C 69 178.400 178.765 -0.365 1
1 604 . 3 1 1 A 69 69 LEU CA C 69 60.300 58.244 2.056 1
1 605 . 3 1 1 A 69 69 LEU CB C 69 41.600 41.403 0.197 1
1 608 . 3 1 1 A 69 69 LEU N N 69 124.300 124.987 -0.687 1
1 609 . 3 1 1 A 70 70 LEU H H 70 8.700 7.975 0.725 1
1 610 . 3 1 1 A 70 70 LEU HA H 70 3.930 4.005 -0.075 1
1 620 . 3 1 1 A 70 70 LEU C C 70 179.400 178.829 0.571 1
1 621 . 3 1 1 A 70 70 LEU CA C 70 58.200 58.057 0.143 1
1 622 . 3 1 1 A 70 70 LEU CB C 70 41.700 41.130 0.570 1
1 626 . 3 1 1 A 70 70 LEU N N 70 116.100 118.416 -2.316 1
1 627 . 3 1 1 A 71 71 ASP H H 71 7.130 8.101 -0.971 1
1 628 . 3 1 1 A 71 71 ASP HA H 71 4.660 4.383 0.277 1
1 631 . 3 1 1 A 71 71 ASP C C 71 179.000 179.101 -0.101 1
1 632 . 3 1 1 A 71 71 ASP CA C 71 57.100 56.985 0.115 1
1 633 . 3 1 1 A 71 71 ASP CB C 71 40.800 40.585 0.215 1
1 634 . 3 1 1 A 71 71 ASP N N 71 117.600 120.039 -2.439 1
1 635 . 3 1 1 A 72 72 ARG H H 72 8.190 8.241 -0.051 1
1 636 . 3 1 1 A 72 72 ARG HA H 72 3.930 4.138 -0.208 1
1 637 . 3 1 1 A 72 72 ARG C C 72 177.000 178.540 -1.540 1
1 638 . 3 1 1 A 72 72 ARG CA C 72 60.100 58.851 1.249 1
1 639 . 3 1 1 A 72 72 ARG CB C 72 29.300 29.983 -0.683 1
1 642 . 3 1 1 A 72 72 ARG N N 72 122.200 118.437 3.763 1
1 643 . 3 1 1 A 73 73 HIS H H 73 8.030 8.275 -0.245 1
1 644 . 3 1 1 A 73 73 HIS HA H 73 4.100 4.298 -0.198 1
1 648 . 3 1 1 A 73 73 HIS C C 73 177.300 177.007 0.293 1
1 649 . 3 1 1 A 73 73 HIS CA C 73 58.100 59.870 -1.770 1
1 650 . 3 1 1 A 73 73 HIS CB C 73 30.200 29.780 0.420 1
1 652 . 3 1 1 A 73 73 HIS N N 73 116.800 120.240 -3.440 1
1 653 . 3 1 1 A 74 74 ARG H H 74 8.290 8.378 -0.088 1
1 654 . 3 1 1 A 74 74 ARG HA H 74 4.080 3.934 0.146 1
1 661 . 3 1 1 A 74 74 ARG C C 74 178.700 178.721 -0.021 1
1 662 . 3 1 1 A 74 74 ARG CA C 74 59.700 58.865 0.835 1
1 663 . 3 1 1 A 74 74 ARG CB C 74 30.400 30.191 0.209 1
1 666 . 3 1 1 A 74 74 ARG N N 74 118.200 118.410 -0.210 1
1 667 . 3 1 1 A 75 75 LEU H H 75 7.740 8.111 -0.371 1
1 668 . 3 1 1 A 75 75 LEU HA H 75 4.270 4.013 0.257 1
1 678 . 3 1 1 A 75 75 LEU CA C 75 58.300 58.085 0.215 1
1 679 . 3 1 1 A 75 75 LEU CB C 75 42.000 42.106 -0.106 1
1 683 . 3 1 1 A 75 75 LEU N N 75 121.200 121.172 0.028 1
1 684 . 3 1 1 A 76 76 VAL H H 76 7.590 8.067 -0.477 1
1 685 . 3 1 1 A 76 76 VAL HA H 76 3.360 3.477 -0.117 1
1 693 . 3 1 1 A 76 76 VAL C C 76 176.800 177.112 -0.312 1
1 694 . 3 1 1 A 76 76 VAL CA C 76 67.500 66.857 0.643 1
1 695 . 3 1 1 A 76 76 VAL CB C 76 31.500 31.153 0.347 1
1 698 . 3 1 1 A 76 76 VAL N N 76 119.300 117.444 1.856 1
1 699 . 3 1 1 A 77 77 ASN H H 77 8.690 8.078 0.612 1
1 700 . 3 1 1 A 77 77 ASN HA H 77 4.190 4.420 -0.230 1
1 705 . 3 1 1 A 77 77 ASN C C 77 178.000 178.294 -0.294 1
1 706 . 3 1 1 A 77 77 ASN CA C 77 55.400 56.318 -0.918 1
1 707 . 3 1 1 A 77 77 ASN CB C 77 37.600 37.957 -0.357 1
1 708 . 3 1 1 A 77 77 ASN N N 77 117.100 119.034 -1.934 1
1 710 . 3 1 1 A 78 78 THR H H 78 8.050 7.865 0.185 1
1 711 . 3 1 1 A 78 78 THR HA H 78 3.970 3.903 0.067 1
1 716 . 3 1 1 A 78 78 THR C C 78 176.900 176.020 0.880 1
1 717 . 3 1 1 A 78 78 THR CA C 78 66.700 67.311 -0.611 1
1 718 . 3 1 1 A 78 78 THR CB C 78 68.800 68.966 -0.166 1
1 720 . 3 1 1 A 78 78 THR N N 78 116.300 116.119 0.181 1
1 721 . 3 1 1 A 79 79 ILE H H 79 8.020 7.618 0.402 1
1 722 . 3 1 1 A 79 79 ILE HA H 79 3.670 3.892 -0.222 1
1 730 . 3 1 1 A 79 79 ILE CA C 79 65.000 63.600 1.400 1
1 731 . 3 1 1 A 79 79 ILE CB C 79 38.500 38.353 0.147 1
1 734 . 3 1 1 A 79 79 ILE N N 79 124.800 119.625 5.175 1
1 735 . 3 1 1 A 80 80 LEU H H 80 7.770 8.067 -0.297 1
1 745 . 3 1 1 A 80 80 LEU C C 80 176.000 178.800 -2.800 1
1 746 . 3 1 1 A 80 80 LEU CA C 80 52.900 55.450 -2.550 1
1 747 . 3 1 1 A 80 80 LEU CB C 80 41.100 41.385 -0.285 1
1 751 . 3 1 1 A 80 80 LEU N N 80 115.200 119.659 -4.459 1
1 752 . 3 1 1 A 81 81 LYS H H 81 6.880 7.748 -0.868 1
1 753 . 3 1 1 A 81 81 LYS HA H 81 3.820 3.910 -0.090 1
1 762 . 3 1 1 A 81 81 LYS C C 81 178.400 179.233 -0.833 1
1 763 . 3 1 1 A 81 81 LYS CA C 81 60.700 59.834 0.866 1
1 764 . 3 1 1 A 81 81 LYS CB C 81 32.800 32.473 0.327 1
1 768 . 3 1 1 A 81 81 LYS N N 81 120.300 121.119 -0.819 1
1 769 . 3 1 1 A 82 82 GLU H H 82 8.620 8.189 0.431 1
1 770 . 3 1 1 A 82 82 GLU HA H 82 4.020 4.053 -0.033 1
1 773 . 3 1 1 A 82 82 GLU C C 82 178.500 178.911 -0.411 1
1 774 . 3 1 1 A 82 82 GLU CA C 82 59.000 59.268 -0.268 1
1 775 . 3 1 1 A 82 82 GLU CB C 82 28.700 29.249 -0.549 1
1 777 . 3 1 1 A 82 82 GLU N N 82 116.700 118.042 -1.342 1
1 778 . 3 1 1 A 83 83 GLU H H 83 8.070 7.737 0.333 1
1 779 . 3 1 1 A 83 83 GLU HA H 83 3.980 3.957 0.023 1
1 784 . 3 1 1 A 83 83 GLU C C 83 179.300 178.855 0.445 1
1 785 . 3 1 1 A 83 83 GLU CA C 83 60.900 59.243 1.657 1
1 786 . 3 1 1 A 83 83 GLU CB C 83 28.900 29.283 -0.383 1
1 788 . 3 1 1 A 83 83 GLU N N 83 120.300 120.073 0.227 1
1 789 . 3 1 1 A 84 84 LEU H H 84 8.480 8.426 0.054 1
1 790 . 3 1 1 A 84 84 LEU HA H 84 3.910 3.949 -0.039 1
1 800 . 3 1 1 A 84 84 LEU C C 84 178.200 179.383 -1.183 1
1 801 . 3 1 1 A 84 84 LEU CA C 84 57.000 58.073 -1.073 1
1 802 . 3 1 1 A 84 84 LEU CB C 84 40.800 41.291 -0.491 1
1 806 . 3 1 1 A 84 84 LEU N N 84 116.700 120.013 -3.313 1
1 807 . 3 1 1 A 85 85 GLN H H 85 7.130 7.785 -0.655 1
1 808 . 3 1 1 A 85 85 GLN HA H 85 4.140 4.095 0.045 1
1 815 . 3 1 1 A 85 85 GLN C C 85 176.300 177.042 -0.742 1
1 816 . 3 1 1 A 85 85 GLN CA C 85 57.900 58.750 -0.850 1
1 817 . 3 1 1 A 85 85 GLN CB C 85 28.900 28.387 0.513 1
1 819 . 3 1 1 A 85 85 GLN N N 85 115.400 116.510 -1.110 1
1 821 . 3 1 1 A 86 86 ASN H H 86 7.630 7.962 -0.332 1
1 822 . 3 1 1 A 86 86 ASN HA H 86 5.020 4.842 0.178 1
1 827 . 3 1 1 A 86 86 ASN C C 86 174.100 174.057 0.043 1
1 828 . 3 1 1 A 86 86 ASN CA C 86 52.800 52.998 -0.198 1
1 829 . 3 1 1 A 86 86 ASN CB C 86 40.400 39.291 1.109 1
1 830 . 3 1 1 A 86 86 ASN N N 86 114.000 115.520 -1.520 1
1 832 . 3 1 1 A 87 87 ILE H H 87 7.300 7.896 -0.596 1
1 833 . 3 1 1 A 87 87 ILE HA H 87 4.320 4.692 -0.372 1
1 843 . 3 1 1 A 87 87 ILE C C 87 174.500 175.928 -1.428 1
1 844 . 3 1 1 A 87 87 ILE CA C 87 60.400 59.775 0.625 1
1 845 . 3 1 1 A 87 87 ILE CB C 87 40.600 41.124 -0.524 1
1 849 . 3 1 1 A 87 87 ILE N N 87 119.300 119.924 -0.624 1
1 850 . 3 1 1 A 88 88 HIS H H 88 9.140 8.805 0.335 1
1 851 . 3 1 1 A 88 88 HIS HA H 88 4.680 4.499 0.181 1
1 855 . 3 1 1 A 88 88 HIS CA C 88 57.300 58.485 -1.185 1
1 856 . 3 1 1 A 88 88 HIS CB C 88 30.200 31.270 -1.070 1
1 858 . 3 1 1 A 88 88 HIS N N 88 125.000 124.792 0.208 1
1 859 . 3 1 1 A 89 89 ALA H H 89 7.600 7.560 0.040 1
1 860 . 3 1 1 A 89 89 ALA HA H 89 4.620 4.505 0.115 1
1 864 . 3 1 1 A 89 89 ALA C C 89 174.300 176.033 -1.733 1
1 865 . 3 1 1 A 89 89 ALA CA C 89 52.300 51.110 1.190 1
1 866 . 3 1 1 A 89 89 ALA CB C 89 21.300 19.705 1.595 1
1 867 . 3 1 1 A 89 89 ALA N N 89 120.100 119.616 0.484 1
1 868 . 3 1 1 A 90 90 PHE H H 90 8.830 9.245 -0.415 1
1 869 . 3 1 1 A 90 90 PHE HA H 90 5.220 4.854 0.366 1
1 877 . 3 1 1 A 90 90 PHE C C 90 173.700 174.112 -0.412 1
1 878 . 3 1 1 A 90 90 PHE CA C 90 57.200 57.218 -0.018 1
1 879 . 3 1 1 A 90 90 PHE CB C 90 42.000 39.624 2.376 1
1 885 . 3 1 1 A 90 90 PHE N N 90 126.100 127.258 -1.158 1
1 886 . 3 1 1 A 91 91 SER H H 91 8.320 8.843 -0.523 1
1 887 . 3 1 1 A 91 91 SER HA H 91 4.730 5.205 -0.475 1
1 891 . 3 1 1 A 91 91 SER C C 91 172.600 172.773 -0.173 1
1 892 . 3 1 1 A 91 91 SER CA C 91 56.500 56.778 -0.278 1
1 893 . 3 1 1 A 91 91 SER CB C 91 64.100 66.102 -2.002 1
1 894 . 3 1 1 A 91 91 SER N N 91 123.100 124.370 -1.270 1
1 895 . 3 1 1 A 92 92 MET H H 92 8.660 8.956 -0.296 1
1 896 . 3 1 1 A 92 92 MET HA H 92 5.490 5.499 -0.009 1
1 901 . 3 1 1 A 92 92 MET C C 92 174.300 173.480 0.820 1
1 902 . 3 1 1 A 92 92 MET CA C 92 53.600 53.439 0.161 1
1 903 . 3 1 1 A 92 92 MET CB C 92 37.500 35.243 2.257 1
1 906 . 3 1 1 A 92 92 MET N N 92 119.600 118.735 0.865 1
1 907 . 3 1 1 A 93 93 LYS H H 93 8.190 9.075 -0.885 1
1 908 . 3 1 1 A 93 93 LYS HA H 93 4.450 4.729 -0.279 1
1 917 . 3 1 1 A 93 93 LYS C C 93 174.400 174.548 -0.148 1
1 918 . 3 1 1 A 93 93 LYS CA C 93 55.400 54.869 0.531 1
1 919 . 3 1 1 A 93 93 LYS CB C 93 34.700 33.968 0.732 1
1 923 . 3 1 1 A 93 93 LYS N N 93 122.700 123.108 -0.408 1
1 924 . 3 1 1 A 94 94 CYS H H 94 8.340 8.585 -0.245 1
1 925 . 3 1 1 A 94 94 CYS HA H 94 4.960 4.767 0.193 1
1 928 . 3 1 1 A 94 94 CYS C C 94 173.600 174.066 -0.466 1
1 929 . 3 1 1 A 94 94 CYS CA C 94 56.600 57.216 -0.616 1
1 930 . 3 1 1 A 94 94 CYS CB C 94 29.800 28.070 1.730 1
1 931 . 3 1 1 A 94 94 CYS N N 94 120.300 126.345 -6.045 1
1 932 . 3 1 1 A 95 95 HIS H H 95 9.040 8.837 0.203 1
1 933 . 3 1 1 A 95 95 HIS HA H 95 5.440 5.083 0.357 1
1 936 . 3 1 1 A 95 95 HIS C C 95 175.700 174.694 1.006 1
1 937 . 3 1 1 A 95 95 HIS CA C 95 53.600 54.657 -1.057 1
1 938 . 3 1 1 A 95 95 HIS CB C 95 35.300 34.036 1.264 1
1 939 . 3 1 1 A 95 95 HIS N N 95 122.000 119.693 2.307 1
1 940 . 3 1 1 A 96 96 THR H H 96 8.910 9.166 -0.256 1
1 941 . 3 1 1 A 96 96 THR HA H 96 5.150 5.053 0.097 1
1 945 . 3 1 1 A 96 96 THR CA C 96 60.100 58.990 1.110 1
1 946 . 3 1 1 A 96 96 THR CB C 96 67.600 70.203 -2.603 1
1 948 . 3 1 1 A 96 96 THR N N 96 113.600 113.109 0.491 1
1 949 . 3 1 1 A 97 97 PRO HA H 97 4.060 4.425 -0.365 1
1 956 . 3 1 1 A 97 97 PRO C C 97 178.600 178.957 -0.357 1
1 957 . 3 1 1 A 97 97 PRO CA C 97 66.600 65.613 0.987 1
1 958 . 3 1 1 A 97 97 PRO CB C 97 31.600 31.800 -0.200 1
1 961 . 3 1 1 A 98 98 LEU H H 98 8.410 7.640 0.770 1
1 962 . 3 1 1 A 98 98 LEU HA H 98 4.230 4.041 0.189 1
1 971 . 3 1 1 A 98 98 LEU C C 98 179.800 179.162 0.638 1
1 972 . 3 1 1 A 98 98 LEU CA C 98 58.200 57.702 0.498 1
1 973 . 3 1 1 A 98 98 LEU CB C 98 42.000 41.579 0.421 1
1 976 . 3 1 1 A 98 98 LEU N N 98 118.300 117.612 0.688 1
1 977 . 3 1 1 A 99 99 GLU H H 99 7.660 7.836 -0.176 1
1 978 . 3 1 1 A 99 99 GLU HA H 99 3.900 3.943 -0.043 1
1 983 . 3 1 1 A 99 99 GLU C C 99 180.200 178.975 1.225 1
1 984 . 3 1 1 A 99 99 GLU CA C 99 58.400 59.828 -1.428 1
1 985 . 3 1 1 A 99 99 GLU CB C 99 30.400 29.704 0.696 1
1 987 . 3 1 1 A 99 99 GLU N N 99 118.100 117.722 0.378 1
1 988 . 3 1 1 A 100 100 TYR H H 100 8.770 8.242 0.528 1
1 989 . 3 1 1 A 100 100 TYR HA H 100 3.860 4.084 -0.224 1
1 996 . 3 1 1 A 100 100 TYR C C 100 176.800 177.420 -0.620 1
1 997 . 3 1 1 A 100 100 TYR CA C 100 60.800 61.247 -0.447 1
1 998 . 3 1 1 A 100 100 TYR CB C 100 39.200 38.582 0.618 1
1 1003 . 3 1 1 A 100 100 TYR N N 100 120.100 121.616 -1.516 1
1 1004 . 3 1 1 A 101 101 ASP H H 101 8.100 8.517 -0.417 1
1 1005 . 3 1 1 A 101 101 ASP HA H 101 4.180 4.113 0.067 1
1 1008 . 3 1 1 A 101 101 ASP C C 101 178.700 178.640 0.060 1
1 1009 . 3 1 1 A 101 101 ASP CA C 101 57.300 57.567 -0.267 1
1 1010 . 3 1 1 A 101 101 ASP CB C 101 40.800 41.651 -0.851 1
1 1011 . 3 1 1 A 101 101 ASP N N 101 118.400 119.094 -0.694 1
1 1012 . 3 1 1 A 102 102 LYS H H 102 7.480 7.522 -0.042 1
1 1013 . 3 1 1 A 102 102 LYS HA H 102 4.070 4.030 0.040 1
1 1020 . 3 1 1 A 102 102 LYS CA C 102 58.300 59.097 -0.797 1
1 1021 . 3 1 1 A 102 102 LYS CB C 102 32.300 31.980 0.320 1
1 1024 . 3 1 1 A 102 102 LYS N N 102 117.500 119.055 -1.555 1
1 1025 . 3 1 1 A 103 103 LEU H H 103 7.580 8.093 -0.513 1
1 1026 . 3 1 1 A 103 103 LEU HA H 103 4.050 3.874 0.176 1
1 1036 . 3 1 1 A 103 103 LEU C C 103 178.700 179.030 -0.330 1
1 1037 . 3 1 1 A 103 103 LEU CA C 103 56.800 57.825 -1.025 1
1 1038 . 3 1 1 A 103 103 LEU CB C 103 42.000 41.310 0.690 1
1 1042 . 3 1 1 A 103 103 LEU N N 103 120.100 120.478 -0.378 1
1 1043 . 3 1 1 A 104 104 LYS H H 104 7.730 7.817 -0.087 1
1 1044 . 3 1 1 A 104 104 LYS HA H 104 3.960 3.751 0.209 1
1 1053 . 3 1 1 A 104 104 LYS CA C 104 56.700 59.218 -2.518 1
1 1054 . 3 1 1 A 104 104 LYS CB C 104 31.700 32.027 -0.327 1
1 1058 . 3 1 1 A 104 104 LYS N N 104 118.500 118.915 -0.415 1
1 1059 . 3 1 1 A 105 105 SER H H 105 7.790 7.654 0.136 1
1 1060 . 3 1 1 A 105 105 SER HA H 105 4.330 4.100 0.230 1
1 1063 . 3 1 1 A 105 105 SER C C 105 174.700 176.231 -1.531 1
1 1064 . 3 1 1 A 105 105 SER CA C 105 58.900 61.882 -2.982 1
1 1065 . 3 1 1 A 105 105 SER CB C 105 63.500 63.135 0.365 1
1 1066 . 3 1 1 A 105 105 SER N N 105 114.900 116.840 -1.940 1
1 1067 . 3 1 1 A 106 106 LYS H H 106 8.000 7.974 0.026 1
1 1068 . 3 1 1 A 106 106 LYS HA H 106 4.300 4.360 -0.060 1
1 1077 . 3 1 1 A 106 106 LYS C C 106 177.000 177.229 -0.229 1
1 1078 . 3 1 1 A 106 106 LYS CA C 106 56.600 56.199 0.401 1
1 1079 . 3 1 1 A 106 106 LYS CB C 106 32.800 34.321 -1.521 1
1 1081 . 3 1 1 A 106 106 LYS N N 106 122.400 115.002 7.398 1
1 1082 . 3 1 1 A 107 107 GLY H H 107 8.310 8.532 -0.222 1
1 1083 . 3 1 1 A 107 107 GLY HA2 H 107 3.990 3.914 0.076 1
1 1084 . 3 1 1 A 107 107 GLY HA3 H 107 3.990 3.936 0.054 1
1 1085 . 3 1 1 A 107 107 GLY CA C 107 45.300 45.153 0.147 1
1 1086 . 3 1 1 A 107 107 GLY N N 107 110.000 110.159 -0.159 1
1 1 . 4 1 1 A 11 11 SER HA H 11 4.510 4.433 0.077 1
1 4 . 4 1 1 A 11 11 SER C C 11 174.600 174.376 0.224 1
1 5 . 4 1 1 A 11 11 SER CA C 11 58.400 57.636 0.764 1
1 6 . 4 1 1 A 11 11 SER CB C 11 63.800 64.584 -0.784 1
1 7 . 4 1 1 A 12 12 SER H H 12 8.630 9.007 -0.377 1
1 8 . 4 1 1 A 12 12 SER HA H 12 4.500 4.594 -0.094 1
1 11 . 4 1 1 A 12 12 SER C C 12 175.000 174.849 0.151 1
1 12 . 4 1 1 A 12 12 SER CA C 12 58.600 58.779 -0.179 1
1 13 . 4 1 1 A 12 12 SER CB C 12 63.900 63.803 0.097 1
1 14 . 4 1 1 A 12 12 SER N N 12 118.300 119.042 -0.742 1
1 15 . 4 1 1 A 13 13 GLY H H 13 8.560 8.187 0.373 1
1 16 . 4 1 1 A 13 13 GLY HA2 H 13 4.050 3.958 0.092 1
1 17 . 4 1 1 A 13 13 GLY HA3 H 13 4.050 3.959 0.091 1
1 18 . 4 1 1 A 13 13 GLY C C 13 174.300 175.563 -1.263 1
1 19 . 4 1 1 A 13 13 GLY CA C 13 45.400 45.648 -0.248 1
1 20 . 4 1 1 A 13 13 GLY N N 13 111.000 109.771 1.229 1
1 21 . 4 1 1 A 14 14 ARG H H 14 8.260 8.514 -0.254 1
1 22 . 4 1 1 A 14 14 ARG HA H 14 4.320 4.124 0.196 1
1 29 . 4 1 1 A 14 14 ARG C C 14 176.400 176.468 -0.068 1
1 30 . 4 1 1 A 14 14 ARG CA C 14 56.300 58.734 -2.434 1
1 31 . 4 1 1 A 14 14 ARG CB C 14 30.600 30.154 0.446 1
1 34 . 4 1 1 A 14 14 ARG N N 14 120.400 118.272 2.128 1
1 35 . 4 1 1 A 15 15 GLU H H 15 8.660 8.087 0.573 1
1 36 . 4 1 1 A 15 15 GLU HA H 15 4.210 4.406 -0.196 1
1 41 . 4 1 1 A 15 15 GLU C C 15 176.200 176.771 -0.571 1
1 42 . 4 1 1 A 15 15 GLU CA C 15 57.200 55.348 1.852 1
1 43 . 4 1 1 A 15 15 GLU CB C 15 29.700 29.465 0.235 1
1 45 . 4 1 1 A 15 15 GLU N N 15 121.100 115.987 5.113 1
1 46 . 4 1 1 A 16 16 ASN H H 16 8.420 8.471 -0.051 1
1 47 . 4 1 1 A 16 16 ASN HA H 16 4.680 4.651 0.029 1
1 52 . 4 1 1 A 16 16 ASN C C 16 175.100 176.332 -1.232 1
1 53 . 4 1 1 A 16 16 ASN CA C 16 53.300 53.060 0.240 1
1 54 . 4 1 1 A 16 16 ASN CB C 16 38.700 37.867 0.833 1
1 55 . 4 1 1 A 16 16 ASN N N 16 118.900 118.659 0.241 1
1 57 . 4 1 1 A 17 17 LEU H H 17 8.110 7.506 0.604 1
1 58 . 4 1 1 A 17 17 LEU HA H 17 4.210 4.186 0.024 1
1 68 . 4 1 1 A 17 17 LEU C C 17 177.000 177.009 -0.009 1
1 69 . 4 1 1 A 17 17 LEU CA C 17 55.600 56.962 -1.362 1
1 70 . 4 1 1 A 17 17 LEU CB C 17 42.200 42.422 -0.222 1
1 74 . 4 1 1 A 17 17 LEU N N 17 121.900 118.744 3.156 1
1 75 . 4 1 1 A 18 18 TYR H H 18 8.070 7.432 0.638 1
1 76 . 4 1 1 A 18 18 TYR HA H 18 4.530 4.624 -0.094 1
1 83 . 4 1 1 A 18 18 TYR C C 18 175.700 176.437 -0.737 1
1 84 . 4 1 1 A 18 18 TYR CA C 18 58.000 56.936 1.064 1
1 85 . 4 1 1 A 18 18 TYR CB C 18 38.700 36.915 1.785 1
1 90 . 4 1 1 A 18 18 TYR N N 18 119.500 116.796 2.704 1
1 91 . 4 1 1 A 19 19 PHE H H 19 8.120 7.590 0.530 1
1 92 . 4 1 1 A 19 19 PHE HA H 19 4.560 4.544 0.016 1
1 99 . 4 1 1 A 19 19 PHE C C 19 175.500 176.390 -0.890 1
1 100 . 4 1 1 A 19 19 PHE CA C 19 57.900 58.643 -0.743 1
1 101 . 4 1 1 A 19 19 PHE CB C 19 39.500 38.854 0.646 1
1 106 . 4 1 1 A 19 19 PHE N N 19 121.200 121.195 0.005 1
1 107 . 4 1 1 A 20 20 GLN H H 20 8.300 7.571 0.729 1
1 108 . 4 1 1 A 20 20 GLN HA H 20 4.200 4.469 -0.269 1
1 115 . 4 1 1 A 20 20 GLN C C 20 176.000 177.097 -1.097 1
1 116 . 4 1 1 A 20 20 GLN CA C 20 56.100 54.567 1.533 1
1 117 . 4 1 1 A 20 20 GLN CB C 20 29.100 29.232 -0.132 1
1 119 . 4 1 1 A 20 20 GLN N N 20 121.700 116.146 5.554 1
1 121 . 4 1 1 A 21 21 GLY H H 21 7.970 8.204 -0.234 1
1 122 . 4 1 1 A 21 21 GLY HA2 H 21 3.940 3.700 0.240 1
1 123 . 4 1 1 A 21 21 GLY HA3 H 21 3.830 3.741 0.089 1
1 124 . 4 1 1 A 21 21 GLY CA C 21 45.400 46.552 -1.152 1
1 125 . 4 1 1 A 21 21 GLY N N 21 108.500 109.911 -1.411 1
1 126 . 4 1 1 A 22 22 HIS H H 22 8.280 7.930 0.350 1
1 127 . 4 1 1 A 22 22 HIS C C 22 174.000 174.625 -0.625 1
1 128 . 4 1 1 A 22 22 HIS CA C 22 56.000 55.156 0.844 1
1 129 . 4 1 1 A 22 22 HIS CB C 22 29.900 30.761 -0.861 1
1 130 . 4 1 1 A 22 22 HIS N N 22 118.700 120.273 -1.573 1
1 134 . 4 1 1 A 23 23 MET C C 23 175.900 175.465 0.435 1
1 135 . 4 1 1 A 23 23 MET CB C 23 32.700 36.135 -3.435 1
1 137 . 4 1 1 A 24 24 CYS H H 24 8.390 8.706 -0.316 1
1 138 . 4 1 1 A 24 24 CYS HA H 24 4.620 4.430 0.190 1
1 141 . 4 1 1 A 24 24 CYS C C 24 175.400 175.182 0.218 1
1 142 . 4 1 1 A 24 24 CYS CA C 24 58.000 58.575 -0.575 1
1 143 . 4 1 1 A 24 24 CYS CB C 24 27.900 27.166 0.734 1
1 144 . 4 1 1 A 24 24 CYS N N 24 120.600 120.571 0.029 1
1 145 . 4 1 1 A 25 25 ILE H H 25 8.550 8.601 -0.051 1
1 146 . 4 1 1 A 25 25 ILE HA H 25 4.010 3.911 0.099 1
1 156 . 4 1 1 A 25 25 ILE C C 25 176.200 176.798 -0.598 1
1 157 . 4 1 1 A 25 25 ILE CA C 25 63.400 63.874 -0.474 1
1 158 . 4 1 1 A 25 25 ILE CB C 25 38.100 38.068 0.032 1
1 162 . 4 1 1 A 25 25 ILE N N 25 124.600 127.390 -2.790 1
1 163 . 4 1 1 A 26 26 GLN H H 26 8.860 8.217 0.643 1
1 164 . 4 1 1 A 26 26 GLN HA H 26 3.340 3.676 -0.336 1
1 171 . 4 1 1 A 26 26 GLN C C 26 176.800 178.326 -1.526 1
1 172 . 4 1 1 A 26 26 GLN CA C 26 60.200 59.072 1.128 1
1 173 . 4 1 1 A 26 26 GLN CB C 26 27.800 27.950 -0.150 1
1 175 . 4 1 1 A 26 26 GLN N N 26 121.900 121.049 0.851 1
1 177 . 4 1 1 A 27 27 LYS H H 27 7.340 7.416 -0.076 1
1 178 . 4 1 1 A 27 27 LYS HA H 27 4.070 4.157 -0.087 1
1 181 . 4 1 1 A 27 27 LYS C C 27 177.900 178.734 -0.834 1
1 182 . 4 1 1 A 27 27 LYS CA C 27 58.300 58.728 -0.428 1
1 183 . 4 1 1 A 27 27 LYS CB C 27 31.800 31.950 -0.150 1
1 187 . 4 1 1 A 27 27 LYS N N 27 117.700 119.983 -2.283 1
1 188 . 4 1 1 A 28 28 VAL H H 28 7.570 7.575 -0.005 1
1 189 . 4 1 1 A 28 28 VAL HA H 28 3.680 3.685 -0.005 1
1 197 . 4 1 1 A 28 28 VAL C C 28 178.600 178.641 -0.041 1
1 198 . 4 1 1 A 28 28 VAL CA C 28 66.400 66.440 -0.040 1
1 199 . 4 1 1 A 28 28 VAL CB C 28 31.800 31.702 0.098 1
1 202 . 4 1 1 A 28 28 VAL N N 28 119.900 119.668 0.232 1
1 203 . 4 1 1 A 29 29 ILE H H 29 8.180 8.120 0.060 1
1 204 . 4 1 1 A 29 29 ILE HA H 29 3.290 3.436 -0.146 1
1 212 . 4 1 1 A 29 29 ILE C C 29 177.500 177.972 -0.472 1
1 213 . 4 1 1 A 29 29 ILE CA C 29 65.900 65.819 0.081 1
1 214 . 4 1 1 A 29 29 ILE CB C 29 37.600 37.568 0.032 1
1 218 . 4 1 1 A 29 29 ILE N N 29 118.500 119.840 -1.340 1
1 219 . 4 1 1 A 30 30 GLU H H 30 8.370 8.447 -0.077 1
1 220 . 4 1 1 A 30 30 GLU HA H 30 3.610 3.848 -0.238 1
1 225 . 4 1 1 A 30 30 GLU C C 30 179.000 178.607 0.393 1
1 226 . 4 1 1 A 30 30 GLU CA C 30 60.400 59.933 0.467 1
1 227 . 4 1 1 A 30 30 GLU CB C 30 29.600 29.281 0.319 1
1 229 . 4 1 1 A 30 30 GLU N N 30 119.200 120.670 -1.470 1
1 230 . 4 1 1 A 31 31 ASP H H 31 8.710 8.522 0.188 1
1 231 . 4 1 1 A 31 31 ASP HA H 31 4.370 4.289 0.081 1
1 234 . 4 1 1 A 31 31 ASP CA C 31 57.600 57.238 0.362 1
1 235 . 4 1 1 A 31 31 ASP CB C 31 40.200 41.372 -1.172 1
1 236 . 4 1 1 A 31 31 ASP N N 31 125.100 120.056 5.044 1
1 237 . 4 1 1 A 32 32 LYS H H 32 8.430 7.568 0.862 1
1 238 . 4 1 1 A 32 32 LYS HA H 32 4.030 4.060 -0.030 1
1 243 . 4 1 1 A 32 32 LYS C C 32 180.300 179.547 0.753 1
1 244 . 4 1 1 A 32 32 LYS CA C 32 60.400 59.329 1.071 1
1 245 . 4 1 1 A 32 32 LYS CB C 32 33.100 32.066 1.034 1
1 248 . 4 1 1 A 32 32 LYS N N 32 120.700 119.396 1.304 1
1 249 . 4 1 1 A 33 33 LEU H H 33 8.580 7.823 0.757 1
1 250 . 4 1 1 A 33 33 LEU HA H 33 4.000 4.010 -0.010 1
1 260 . 4 1 1 A 33 33 LEU C C 33 179.200 178.758 0.442 1
1 261 . 4 1 1 A 33 33 LEU CA C 33 58.000 57.760 0.240 1
1 262 . 4 1 1 A 33 33 LEU CB C 33 42.500 41.144 1.356 1
1 266 . 4 1 1 A 33 33 LEU N N 33 117.200 119.300 -2.100 1
1 267 . 4 1 1 A 34 34 SER H H 34 8.670 8.095 0.575 1
1 268 . 4 1 1 A 34 34 SER HA H 34 4.100 4.158 -0.058 1
1 271 . 4 1 1 A 34 34 SER C C 34 176.900 177.260 -0.360 1
1 272 . 4 1 1 A 34 34 SER CA C 34 62.500 61.513 0.987 1
1 273 . 4 1 1 A 34 34 SER CB C 34 62.500 62.749 -0.249 1
1 274 . 4 1 1 A 34 34 SER N N 34 115.500 115.440 0.060 1
1 275 . 4 1 1 A 35 35 SER H H 35 8.080 7.845 0.235 1
1 276 . 4 1 1 A 35 35 SER HA H 35 4.200 4.197 0.003 1
1 279 . 4 1 1 A 35 35 SER C C 35 175.900 175.926 -0.026 1
1 280 . 4 1 1 A 35 35 SER CA C 35 60.900 61.392 -0.492 1
1 281 . 4 1 1 A 35 35 SER CB C 35 62.900 63.229 -0.329 1
1 282 . 4 1 1 A 35 35 SER N N 35 115.300 116.515 -1.215 1
1 283 . 4 1 1 A 36 36 ALA H H 36 7.570 7.637 -0.067 1
1 284 . 4 1 1 A 36 36 ALA HA H 36 4.340 4.154 0.186 1
1 288 . 4 1 1 A 36 36 ALA C C 36 179.200 180.338 -1.138 1
1 289 . 4 1 1 A 36 36 ALA CA C 36 54.300 54.680 -0.380 1
1 290 . 4 1 1 A 36 36 ALA CB C 36 20.900 18.874 2.026 1
1 291 . 4 1 1 A 36 36 ALA N N 36 119.000 123.486 -4.486 1
1 292 . 4 1 1 A 37 37 LEU H H 37 7.960 8.245 -0.285 1
1 293 . 4 1 1 A 37 37 LEU HA H 37 4.530 4.206 0.324 1
1 303 . 4 1 1 A 37 37 LEU CA C 37 53.500 56.724 -3.224 1
1 304 . 4 1 1 A 37 37 LEU CB C 37 42.600 42.515 0.085 1
1 308 . 4 1 1 A 37 37 LEU N N 37 111.800 116.420 -4.620 1
1 309 . 4 1 1 A 38 38 LYS H H 38 7.600 7.915 -0.315 1
1 310 . 4 1 1 A 38 38 LYS HA H 38 4.250 4.163 0.087 1
1 313 . 4 1 1 A 38 38 LYS CA C 38 56.200 56.619 -0.419 1
1 314 . 4 1 1 A 38 38 LYS CB C 38 30.800 31.054 -0.254 1
1 315 . 4 1 1 A 38 38 LYS N N 38 117.200 115.697 1.503 1
1 316 . 4 1 1 A 39 39 PRO HA H 39 4.670 4.627 0.043 1
1 323 . 4 1 1 A 39 39 PRO C C 39 178.100 177.227 0.873 1
1 324 . 4 1 1 A 39 39 PRO CA C 39 63.300 61.938 1.362 1
1 325 . 4 1 1 A 39 39 PRO CB C 39 32.700 32.490 0.210 1
1 328 . 4 1 1 A 40 40 THR H H 40 8.500 8.368 0.132 1
1 329 . 4 1 1 A 40 40 THR HA H 40 4.290 4.217 0.073 1
1 334 . 4 1 1 A 40 40 THR C C 40 175.700 174.575 1.125 1
1 335 . 4 1 1 A 40 40 THR CA C 40 63.200 63.677 -0.477 1
1 336 . 4 1 1 A 40 40 THR CB C 40 67.600 69.248 -1.648 1
1 338 . 4 1 1 A 40 40 THR N N 40 114.500 112.016 2.484 1
1 339 . 4 1 1 A 41 41 PHE H H 41 7.300 7.840 -0.540 1
1 340 . 4 1 1 A 41 41 PHE HA H 41 4.510 4.681 -0.171 1
1 347 . 4 1 1 A 41 41 PHE C C 41 171.500 172.902 -1.402 1
1 348 . 4 1 1 A 41 41 PHE CA C 41 58.800 56.917 1.883 1
1 349 . 4 1 1 A 41 41 PHE CB C 41 41.000 42.276 -1.276 1
1 354 . 4 1 1 A 41 41 PHE N N 41 121.100 121.061 0.039 1
1 355 . 4 1 1 A 42 42 LEU H H 42 7.530 8.390 -0.860 1
1 356 . 4 1 1 A 42 42 LEU HA H 42 4.910 4.892 0.018 1
1 366 . 4 1 1 A 42 42 LEU C C 42 173.700 173.525 0.175 1
1 367 . 4 1 1 A 42 42 LEU CA C 42 53.500 53.941 -0.441 1
1 368 . 4 1 1 A 42 42 LEU CB C 42 45.300 45.760 -0.460 1
1 372 . 4 1 1 A 42 42 LEU N N 42 129.100 128.343 0.757 1
1 373 . 4 1 1 A 43 43 GLU H H 43 8.690 9.025 -0.335 1
1 374 . 4 1 1 A 43 43 GLU HA H 43 4.400 4.891 -0.491 1
1 379 . 4 1 1 A 43 43 GLU C C 43 173.500 174.814 -1.314 1
1 380 . 4 1 1 A 43 43 GLU CA C 43 55.800 54.439 1.361 1
1 381 . 4 1 1 A 43 43 GLU CB C 43 34.100 32.250 1.850 1
1 383 . 4 1 1 A 43 43 GLU N N 43 126.900 128.002 -1.102 1
1 384 . 4 1 1 A 44 44 LEU H H 44 9.000 8.897 0.103 1
1 385 . 4 1 1 A 44 44 LEU HA H 44 5.130 4.728 0.402 1
1 395 . 4 1 1 A 44 44 LEU C C 44 175.100 176.160 -1.060 1
1 396 . 4 1 1 A 44 44 LEU CA C 44 53.700 53.961 -0.261 1
1 397 . 4 1 1 A 44 44 LEU CB C 44 44.600 41.255 3.345 1
1 401 . 4 1 1 A 44 44 LEU N N 44 129.900 128.734 1.166 1
1 402 . 4 1 1 A 45 45 VAL H H 45 9.000 9.517 -0.517 1
1 403 . 4 1 1 A 45 45 VAL HA H 45 4.370 4.588 -0.218 1
1 411 . 4 1 1 A 45 45 VAL C C 45 175.100 175.024 0.076 1
1 412 . 4 1 1 A 45 45 VAL CA C 45 61.200 61.314 -0.114 1
1 413 . 4 1 1 A 45 45 VAL CB C 45 35.400 32.783 2.617 1
1 416 . 4 1 1 A 45 45 VAL N N 45 122.300 125.317 -3.017 1
1 417 . 4 1 1 A 46 46 ASP H H 46 9.080 9.082 -0.002 1
1 418 . 4 1 1 A 46 46 ASP HA H 46 4.530 4.841 -0.311 1
1 421 . 4 1 1 A 46 46 ASP C C 46 176.900 175.068 1.832 1
1 422 . 4 1 1 A 46 46 ASP CA C 46 53.900 54.099 -0.199 1
1 423 . 4 1 1 A 46 46 ASP CB C 46 40.600 41.041 -0.441 1
1 424 . 4 1 1 A 46 46 ASP N N 46 127.400 128.576 -1.176 1
1 425 . 4 1 1 A 47 47 LYS H H 47 8.490 8.575 -0.085 1
1 426 . 4 1 1 A 47 47 LYS HA H 47 4.560 4.770 -0.210 1
1 427 . 4 1 1 A 47 47 LYS CA C 47 54.200 54.991 -0.791 1
1 428 . 4 1 1 A 47 47 LYS CB C 47 30.400 33.909 -3.509 1
1 429 . 4 1 1 A 47 47 LYS N N 47 129.500 127.604 1.896 1
1 430 . 4 1 1 A 54 54 SER HA H 54 5.550 5.752 -0.202 1
1 433 . 4 1 1 A 54 54 SER C C 54 172.900 172.893 0.007 1
1 434 . 4 1 1 A 54 54 SER CA C 54 57.300 56.468 0.832 1
1 435 . 4 1 1 A 54 54 SER CB C 54 65.800 65.419 0.381 1
1 436 . 4 1 1 A 55 55 PHE H H 55 8.340 8.809 -0.469 1
1 437 . 4 1 1 A 55 55 PHE HA H 55 5.700 5.117 0.583 1
1 442 . 4 1 1 A 55 55 PHE C C 55 174.400 173.547 0.853 1
1 443 . 4 1 1 A 55 55 PHE CA C 55 56.700 56.172 0.528 1
1 444 . 4 1 1 A 55 55 PHE CB C 55 45.300 42.574 2.726 1
1 447 . 4 1 1 A 55 55 PHE N N 55 119.600 122.967 -3.367 1
1 448 . 4 1 1 A 56 56 ASP H H 56 8.840 8.896 -0.056 1
1 449 . 4 1 1 A 56 56 ASP HA H 56 5.350 5.383 -0.033 1
1 452 . 4 1 1 A 56 56 ASP C C 56 174.400 174.319 0.081 1
1 453 . 4 1 1 A 56 56 ASP CA C 56 52.900 52.398 0.502 1
1 454 . 4 1 1 A 56 56 ASP CB C 56 43.700 44.073 -0.373 1
1 455 . 4 1 1 A 56 56 ASP N N 56 121.500 123.823 -2.323 1
1 456 . 4 1 1 A 57 57 ALA H H 57 8.780 8.890 -0.110 1
1 457 . 4 1 1 A 57 57 ALA HA H 57 5.620 5.127 0.493 1
1 461 . 4 1 1 A 57 57 ALA C C 57 176.400 175.636 0.764 1
1 462 . 4 1 1 A 57 57 ALA CA C 57 50.200 50.185 0.015 1
1 463 . 4 1 1 A 57 57 ALA CB C 57 23.600 20.930 2.670 1
1 464 . 4 1 1 A 57 57 ALA N N 57 125.000 129.053 -4.053 1
1 465 . 4 1 1 A 58 58 VAL H H 58 9.080 8.935 0.145 1
1 466 . 4 1 1 A 58 58 VAL HA H 58 4.580 4.403 0.177 1
1 474 . 4 1 1 A 58 58 VAL C C 58 175.000 174.567 0.433 1
1 475 . 4 1 1 A 58 58 VAL CA C 58 62.800 62.411 0.389 1
1 476 . 4 1 1 A 58 58 VAL CB C 58 34.100 31.511 2.589 1
1 479 . 4 1 1 A 58 58 VAL N N 58 125.100 123.219 1.881 1
1 480 . 4 1 1 A 59 59 ILE H H 59 8.750 9.254 -0.504 1
1 481 . 4 1 1 A 59 59 ILE HA H 59 4.430 5.023 -0.593 1
1 489 . 4 1 1 A 59 59 ILE C C 59 173.900 173.748 0.152 1
1 490 . 4 1 1 A 59 59 ILE CA C 59 60.900 59.993 0.907 1
1 491 . 4 1 1 A 59 59 ILE CB C 59 41.100 40.775 0.325 1
1 495 . 4 1 1 A 59 59 ILE N N 59 125.000 129.516 -4.516 1
1 496 . 4 1 1 A 60 60 VAL H H 60 8.540 9.279 -0.739 1
1 497 . 4 1 1 A 60 60 VAL HA H 60 5.540 5.484 0.056 1
1 505 . 4 1 1 A 60 60 VAL C C 60 175.900 174.781 1.119 1
1 506 . 4 1 1 A 60 60 VAL CA C 60 60.200 61.074 -0.874 1
1 507 . 4 1 1 A 60 60 VAL CB C 60 31.800 32.967 -1.167 1
1 510 . 4 1 1 A 60 60 VAL N N 60 128.600 131.655 -3.055 1
1 511 . 4 1 1 A 61 61 SER H H 61 8.720 8.754 -0.034 1
1 512 . 4 1 1 A 61 61 SER HA H 61 5.000 5.237 -0.237 1
1 515 . 4 1 1 A 61 61 SER C C 61 175.700 174.223 1.477 1
1 516 . 4 1 1 A 61 61 SER CA C 61 56.500 56.398 0.102 1
1 517 . 4 1 1 A 61 61 SER CB C 61 64.400 65.707 -1.307 1
1 518 . 4 1 1 A 61 61 SER N N 61 115.900 121.787 -5.887 1
1 519 . 4 1 1 A 62 62 ASN H H 62 9.650 9.224 0.426 1
1 520 . 4 1 1 A 62 62 ASN HA H 62 4.670 4.524 0.146 1
1 525 . 4 1 1 A 62 62 ASN CA C 62 56.500 55.764 0.736 1
1 526 . 4 1 1 A 62 62 ASN CB C 62 38.600 38.115 0.485 1
1 528 . 4 1 1 A 62 62 ASN N N 62 129.400 124.916 4.484 1
1 530 . 4 1 1 A 63 63 ASN H H 63 8.920 8.310 0.610 1
1 531 . 4 1 1 A 63 63 ASN HA H 63 4.490 4.519 -0.029 1
1 536 . 4 1 1 A 63 63 ASN C C 63 175.200 177.150 -1.950 1
1 537 . 4 1 1 A 63 63 ASN CA C 63 55.700 55.786 -0.086 1
1 538 . 4 1 1 A 63 63 ASN CB C 63 37.600 38.553 -0.953 1
1 539 . 4 1 1 A 63 63 ASN N N 63 119.500 118.580 0.920 1
1 541 . 4 1 1 A 64 64 PHE H H 64 6.950 7.766 -0.816 1
1 542 . 4 1 1 A 64 64 PHE HA H 64 4.690 4.439 0.251 1
1 545 . 4 1 1 A 64 64 PHE C C 64 174.200 177.337 -3.137 1
1 546 . 4 1 1 A 64 64 PHE CA C 64 54.900 59.908 -5.008 1
1 547 . 4 1 1 A 64 64 PHE CB C 64 37.500 39.874 -2.374 1
1 548 . 4 1 1 A 64 64 PHE N N 64 113.700 120.119 -6.419 1
1 549 . 4 1 1 A 65 65 GLU H H 65 7.470 8.289 -0.819 1
1 550 . 4 1 1 A 65 65 GLU HA H 65 4.010 3.964 0.046 1
1 555 . 4 1 1 A 65 65 GLU C C 65 174.800 178.548 -3.748 1
1 556 . 4 1 1 A 65 65 GLU CA C 65 58.400 59.437 -1.037 1
1 557 . 4 1 1 A 65 65 GLU CB C 65 29.700 29.476 0.224 1
1 559 . 4 1 1 A 65 65 GLU N N 65 120.500 119.558 0.942 1
1 560 . 4 1 1 A 66 66 ASP H H 66 9.010 7.813 1.197 1
1 561 . 4 1 1 A 66 66 ASP HA H 66 4.390 4.554 -0.164 1
1 564 . 4 1 1 A 66 66 ASP C C 66 175.000 175.453 -0.453 1
1 565 . 4 1 1 A 66 66 ASP CA C 66 55.800 55.455 0.345 1
1 566 . 4 1 1 A 66 66 ASP CB C 66 39.800 41.216 -1.416 1
1 567 . 4 1 1 A 66 66 ASP N N 66 119.200 120.741 -1.541 1
1 568 . 4 1 1 A 67 67 LYS H H 67 7.800 7.446 0.354 1
1 569 . 4 1 1 A 67 67 LYS C C 67 177.400 175.278 2.122 1
1 570 . 4 1 1 A 67 67 LYS CA C 67 54.700 57.040 -2.340 1
1 571 . 4 1 1 A 67 67 LYS CB C 67 38.400 29.242 9.158 1
1 575 . 4 1 1 A 67 67 LYS N N 67 117.200 117.007 0.193 1
1 576 . 4 1 1 A 68 68 LYS H H 68 9.340 8.136 1.204 1
1 577 . 4 1 1 A 68 68 LYS HA H 68 4.400 4.476 -0.076 1
1 586 . 4 1 1 A 68 68 LYS C C 68 177.500 176.576 0.924 1
1 587 . 4 1 1 A 68 68 LYS CA C 68 55.900 54.676 1.224 1
1 588 . 4 1 1 A 68 68 LYS CB C 68 32.700 31.062 1.638 1
1 592 . 4 1 1 A 68 68 LYS N N 68 125.800 118.961 6.839 1
1 593 . 4 1 1 A 69 69 LEU H H 69 8.710 8.471 0.239 1
1 594 . 4 1 1 A 69 69 LEU HA H 69 3.630 4.054 -0.424 1
1 603 . 4 1 1 A 69 69 LEU C C 69 178.400 178.308 0.092 1
1 604 . 4 1 1 A 69 69 LEU CA C 69 60.300 58.816 1.484 1
1 605 . 4 1 1 A 69 69 LEU CB C 69 41.600 41.970 -0.370 1
1 608 . 4 1 1 A 69 69 LEU N N 69 124.300 126.971 -2.671 1
1 609 . 4 1 1 A 70 70 LEU H H 70 8.700 8.178 0.522 1
1 610 . 4 1 1 A 70 70 LEU HA H 70 3.930 3.990 -0.060 1
1 620 . 4 1 1 A 70 70 LEU C C 70 179.400 178.931 0.469 1
1 621 . 4 1 1 A 70 70 LEU CA C 70 58.200 58.021 0.179 1
1 622 . 4 1 1 A 70 70 LEU CB C 70 41.700 41.074 0.626 1
1 626 . 4 1 1 A 70 70 LEU N N 70 116.100 116.596 -0.496 1
1 627 . 4 1 1 A 71 71 ASP H H 71 7.130 8.181 -1.051 1
1 628 . 4 1 1 A 71 71 ASP HA H 71 4.660 4.390 0.270 1
1 631 . 4 1 1 A 71 71 ASP C C 71 179.000 178.952 0.048 1
1 632 . 4 1 1 A 71 71 ASP CA C 71 57.100 57.156 -0.056 1
1 633 . 4 1 1 A 71 71 ASP CB C 71 40.800 40.390 0.410 1
1 634 . 4 1 1 A 71 71 ASP N N 71 117.600 120.027 -2.427 1
1 635 . 4 1 1 A 72 72 ARG H H 72 8.190 8.264 -0.074 1
1 636 . 4 1 1 A 72 72 ARG HA H 72 3.930 4.173 -0.243 1
1 637 . 4 1 1 A 72 72 ARG C C 72 177.000 178.514 -1.514 1
1 638 . 4 1 1 A 72 72 ARG CA C 72 60.100 58.959 1.141 1
1 639 . 4 1 1 A 72 72 ARG CB C 72 29.300 29.976 -0.676 1
1 642 . 4 1 1 A 72 72 ARG N N 72 122.200 118.585 3.615 1
1 643 . 4 1 1 A 73 73 HIS H H 73 8.030 8.057 -0.027 1
1 644 . 4 1 1 A 73 73 HIS HA H 73 4.100 4.291 -0.191 1
1 648 . 4 1 1 A 73 73 HIS C C 73 177.300 177.290 0.010 1
1 649 . 4 1 1 A 73 73 HIS CA C 73 58.100 60.106 -2.006 1
1 650 . 4 1 1 A 73 73 HIS CB C 73 30.200 29.747 0.453 1
1 652 . 4 1 1 A 73 73 HIS N N 73 116.800 120.221 -3.421 1
1 653 . 4 1 1 A 74 74 ARG H H 74 8.290 8.288 0.002 1
1 654 . 4 1 1 A 74 74 ARG HA H 74 4.080 4.083 -0.003 1
1 661 . 4 1 1 A 74 74 ARG C C 74 178.700 178.491 0.209 1
1 662 . 4 1 1 A 74 74 ARG CA C 74 59.700 59.055 0.645 1
1 663 . 4 1 1 A 74 74 ARG CB C 74 30.400 30.030 0.370 1
1 666 . 4 1 1 A 74 74 ARG N N 74 118.200 118.593 -0.393 1
1 667 . 4 1 1 A 75 75 LEU H H 75 7.740 7.968 -0.228 1
1 668 . 4 1 1 A 75 75 LEU HA H 75 4.270 4.035 0.235 1
1 678 . 4 1 1 A 75 75 LEU CA C 75 58.300 58.311 -0.011 1
1 679 . 4 1 1 A 75 75 LEU CB C 75 42.000 41.554 0.446 1
1 683 . 4 1 1 A 75 75 LEU N N 75 121.200 122.065 -0.865 1
1 684 . 4 1 1 A 76 76 VAL H H 76 7.590 7.943 -0.353 1
1 685 . 4 1 1 A 76 76 VAL HA H 76 3.360 3.439 -0.079 1
1 693 . 4 1 1 A 76 76 VAL C C 76 176.800 177.196 -0.396 1
1 694 . 4 1 1 A 76 76 VAL CA C 76 67.500 66.801 0.699 1
1 695 . 4 1 1 A 76 76 VAL CB C 76 31.500 31.289 0.211 1
1 698 . 4 1 1 A 76 76 VAL N N 76 119.300 119.549 -0.249 1
1 699 . 4 1 1 A 77 77 ASN H H 77 8.690 7.926 0.764 1
1 700 . 4 1 1 A 77 77 ASN HA H 77 4.190 4.470 -0.280 1
1 705 . 4 1 1 A 77 77 ASN C C 77 178.000 178.414 -0.414 1
1 706 . 4 1 1 A 77 77 ASN CA C 77 55.400 56.269 -0.869 1
1 707 . 4 1 1 A 77 77 ASN CB C 77 37.600 37.681 -0.081 1
1 708 . 4 1 1 A 77 77 ASN N N 77 117.100 118.672 -1.572 1
1 710 . 4 1 1 A 78 78 THR H H 78 8.050 7.960 0.090 1
1 711 . 4 1 1 A 78 78 THR HA H 78 3.970 3.970 0.000 1
1 716 . 4 1 1 A 78 78 THR C C 78 176.900 176.357 0.543 1
1 717 . 4 1 1 A 78 78 THR CA C 78 66.700 67.332 -0.632 1
1 718 . 4 1 1 A 78 78 THR CB C 78 68.800 68.747 0.053 1
1 720 . 4 1 1 A 78 78 THR N N 78 116.300 117.595 -1.295 1
1 721 . 4 1 1 A 79 79 ILE H H 79 8.020 7.680 0.340 1
1 722 . 4 1 1 A 79 79 ILE HA H 79 3.670 3.794 -0.124 1
1 730 . 4 1 1 A 79 79 ILE CA C 79 65.000 63.961 1.039 1
1 731 . 4 1 1 A 79 79 ILE CB C 79 38.500 38.040 0.460 1
1 734 . 4 1 1 A 79 79 ILE N N 79 124.800 120.600 4.200 1
1 735 . 4 1 1 A 80 80 LEU H H 80 7.770 8.217 -0.447 1
1 745 . 4 1 1 A 80 80 LEU C C 80 176.000 178.651 -2.651 1
1 746 . 4 1 1 A 80 80 LEU CA C 80 52.900 55.400 -2.500 1
1 747 . 4 1 1 A 80 80 LEU CB C 80 41.100 41.382 -0.282 1
1 751 . 4 1 1 A 80 80 LEU N N 80 115.200 119.571 -4.371 1
1 752 . 4 1 1 A 81 81 LYS H H 81 6.880 7.751 -0.871 1
1 753 . 4 1 1 A 81 81 LYS HA H 81 3.820 3.885 -0.065 1
1 762 . 4 1 1 A 81 81 LYS C C 81 178.400 179.047 -0.647 1
1 763 . 4 1 1 A 81 81 LYS CA C 81 60.700 59.752 0.948 1
1 764 . 4 1 1 A 81 81 LYS CB C 81 32.800 32.489 0.311 1
1 768 . 4 1 1 A 81 81 LYS N N 81 120.300 121.163 -0.863 1
1 769 . 4 1 1 A 82 82 GLU H H 82 8.620 8.070 0.550 1
1 770 . 4 1 1 A 82 82 GLU HA H 82 4.020 4.075 -0.055 1
1 773 . 4 1 1 A 82 82 GLU C C 82 178.500 178.816 -0.316 1
1 774 . 4 1 1 A 82 82 GLU CA C 82 59.000 59.070 -0.070 1
1 775 . 4 1 1 A 82 82 GLU CB C 82 28.700 29.097 -0.397 1
1 777 . 4 1 1 A 82 82 GLU N N 82 116.700 118.774 -2.074 1
1 778 . 4 1 1 A 83 83 GLU H H 83 8.070 7.735 0.335 1
1 779 . 4 1 1 A 83 83 GLU HA H 83 3.980 3.992 -0.012 1
1 784 . 4 1 1 A 83 83 GLU C C 83 179.300 179.210 0.090 1
1 785 . 4 1 1 A 83 83 GLU CA C 83 60.900 59.138 1.762 1
1 786 . 4 1 1 A 83 83 GLU CB C 83 28.900 29.459 -0.559 1
1 788 . 4 1 1 A 83 83 GLU N N 83 120.300 120.132 0.168 1
1 789 . 4 1 1 A 84 84 LEU H H 84 8.480 8.638 -0.158 1
1 790 . 4 1 1 A 84 84 LEU HA H 84 3.910 3.914 -0.004 1
1 800 . 4 1 1 A 84 84 LEU C C 84 178.200 179.235 -1.035 1
1 801 . 4 1 1 A 84 84 LEU CA C 84 57.000 57.947 -0.947 1
1 802 . 4 1 1 A 84 84 LEU CB C 84 40.800 41.045 -0.245 1
1 806 . 4 1 1 A 84 84 LEU N N 84 116.700 120.033 -3.333 1
1 807 . 4 1 1 A 85 85 GLN H H 85 7.130 7.752 -0.622 1
1 808 . 4 1 1 A 85 85 GLN HA H 85 4.140 4.018 0.122 1
1 815 . 4 1 1 A 85 85 GLN C C 85 176.300 177.477 -1.177 1
1 816 . 4 1 1 A 85 85 GLN CA C 85 57.900 58.679 -0.779 1
1 817 . 4 1 1 A 85 85 GLN CB C 85 28.900 28.295 0.605 1
1 819 . 4 1 1 A 85 85 GLN N N 85 115.400 116.746 -1.346 1
1 821 . 4 1 1 A 86 86 ASN H H 86 7.630 7.808 -0.178 1
1 822 . 4 1 1 A 86 86 ASN HA H 86 5.020 4.821 0.199 1
1 827 . 4 1 1 A 86 86 ASN C C 86 174.100 174.245 -0.145 1
1 828 . 4 1 1 A 86 86 ASN CA C 86 52.800 54.032 -1.232 1
1 829 . 4 1 1 A 86 86 ASN CB C 86 40.400 39.308 1.092 1
1 830 . 4 1 1 A 86 86 ASN N N 86 114.000 115.779 -1.779 1
1 832 . 4 1 1 A 87 87 ILE H H 87 7.300 8.026 -0.726 1
1 833 . 4 1 1 A 87 87 ILE HA H 87 4.320 4.678 -0.358 1
1 843 . 4 1 1 A 87 87 ILE C C 87 174.500 175.878 -1.378 1
1 844 . 4 1 1 A 87 87 ILE CA C 87 60.400 60.070 0.330 1
1 845 . 4 1 1 A 87 87 ILE CB C 87 40.600 41.077 -0.477 1
1 849 . 4 1 1 A 87 87 ILE N N 87 119.300 119.800 -0.500 1
1 850 . 4 1 1 A 88 88 HIS H H 88 9.140 8.424 0.716 1
1 851 . 4 1 1 A 88 88 HIS HA H 88 4.680 4.405 0.275 1
1 855 . 4 1 1 A 88 88 HIS CA C 88 57.300 59.269 -1.969 1
1 856 . 4 1 1 A 88 88 HIS CB C 88 30.200 30.939 -0.739 1
1 858 . 4 1 1 A 88 88 HIS N N 88 125.000 126.722 -1.722 1
1 859 . 4 1 1 A 89 89 ALA H H 89 7.600 7.830 -0.230 1
1 860 . 4 1 1 A 89 89 ALA HA H 89 4.620 4.656 -0.036 1
1 864 . 4 1 1 A 89 89 ALA C C 89 174.300 175.835 -1.535 1
1 865 . 4 1 1 A 89 89 ALA CA C 89 52.300 51.315 0.985 1
1 866 . 4 1 1 A 89 89 ALA CB C 89 21.300 19.864 1.436 1
1 867 . 4 1 1 A 89 89 ALA N N 89 120.100 119.307 0.793 1
1 868 . 4 1 1 A 90 90 PHE H H 90 8.830 9.313 -0.483 1
1 869 . 4 1 1 A 90 90 PHE HA H 90 5.220 5.165 0.055 1
1 877 . 4 1 1 A 90 90 PHE C C 90 173.700 174.403 -0.703 1
1 878 . 4 1 1 A 90 90 PHE CA C 90 57.200 58.228 -1.028 1
1 879 . 4 1 1 A 90 90 PHE CB C 90 42.000 41.099 0.901 1
1 885 . 4 1 1 A 90 90 PHE N N 90 126.100 127.302 -1.202 1
1 886 . 4 1 1 A 91 91 SER H H 91 8.320 8.249 0.071 1
1 887 . 4 1 1 A 91 91 SER HA H 91 4.730 5.203 -0.473 1
1 891 . 4 1 1 A 91 91 SER C C 91 172.600 172.458 0.142 1
1 892 . 4 1 1 A 91 91 SER CA C 91 56.500 56.947 -0.447 1
1 893 . 4 1 1 A 91 91 SER CB C 91 64.100 66.215 -2.115 1
1 894 . 4 1 1 A 91 91 SER N N 91 123.100 122.535 0.565 1
1 895 . 4 1 1 A 92 92 MET H H 92 8.660 8.950 -0.290 1
1 896 . 4 1 1 A 92 92 MET HA H 92 5.490 5.298 0.192 1
1 901 . 4 1 1 A 92 92 MET C C 92 174.300 174.369 -0.069 1
1 902 . 4 1 1 A 92 92 MET CA C 92 53.600 53.344 0.256 1
1 903 . 4 1 1 A 92 92 MET CB C 92 37.500 35.520 1.980 1
1 906 . 4 1 1 A 92 92 MET N N 92 119.600 119.014 0.586 1
1 907 . 4 1 1 A 93 93 LYS H H 93 8.190 9.096 -0.906 1
1 908 . 4 1 1 A 93 93 LYS HA H 93 4.450 4.934 -0.484 1
1 917 . 4 1 1 A 93 93 LYS C C 93 174.400 175.030 -0.630 1
1 918 . 4 1 1 A 93 93 LYS CA C 93 55.400 54.694 0.706 1
1 919 . 4 1 1 A 93 93 LYS CB C 93 34.700 34.321 0.379 1
1 923 . 4 1 1 A 93 93 LYS N N 93 122.700 119.881 2.819 1
1 924 . 4 1 1 A 94 94 CYS H H 94 8.340 8.757 -0.417 1
1 925 . 4 1 1 A 94 94 CYS HA H 94 4.960 5.096 -0.136 1
1 928 . 4 1 1 A 94 94 CYS C C 94 173.600 173.893 -0.293 1
1 929 . 4 1 1 A 94 94 CYS CA C 94 56.600 57.271 -0.671 1
1 930 . 4 1 1 A 94 94 CYS CB C 94 29.800 28.683 1.117 1
1 931 . 4 1 1 A 94 94 CYS N N 94 120.300 124.611 -4.311 1
1 932 . 4 1 1 A 95 95 HIS H H 95 9.040 9.093 -0.053 1
1 933 . 4 1 1 A 95 95 HIS HA H 95 5.440 5.429 0.011 1
1 936 . 4 1 1 A 95 95 HIS C C 95 175.700 174.572 1.128 1
1 937 . 4 1 1 A 95 95 HIS CA C 95 53.600 54.651 -1.051 1
1 938 . 4 1 1 A 95 95 HIS CB C 95 35.300 34.999 0.301 1
1 939 . 4 1 1 A 95 95 HIS N N 95 122.000 121.124 0.876 1
1 940 . 4 1 1 A 96 96 THR H H 96 8.910 9.211 -0.301 1
1 941 . 4 1 1 A 96 96 THR HA H 96 5.150 5.091 0.059 1
1 945 . 4 1 1 A 96 96 THR CA C 96 60.100 58.690 1.410 1
1 946 . 4 1 1 A 96 96 THR CB C 96 67.600 70.184 -2.584 1
1 948 . 4 1 1 A 96 96 THR N N 96 113.600 112.344 1.256 1
1 949 . 4 1 1 A 97 97 PRO HA H 97 4.060 4.445 -0.385 1
1 956 . 4 1 1 A 97 97 PRO C C 97 178.600 178.637 -0.037 1
1 957 . 4 1 1 A 97 97 PRO CA C 97 66.600 65.243 1.357 1
1 958 . 4 1 1 A 97 97 PRO CB C 97 31.600 31.943 -0.343 1
1 961 . 4 1 1 A 98 98 LEU H H 98 8.410 7.633 0.777 1
1 962 . 4 1 1 A 98 98 LEU HA H 98 4.230 4.037 0.193 1
1 971 . 4 1 1 A 98 98 LEU C C 98 179.800 179.032 0.768 1
1 972 . 4 1 1 A 98 98 LEU CA C 98 58.200 57.776 0.424 1
1 973 . 4 1 1 A 98 98 LEU CB C 98 42.000 41.643 0.357 1
1 976 . 4 1 1 A 98 98 LEU N N 98 118.300 117.774 0.526 1
1 977 . 4 1 1 A 99 99 GLU H H 99 7.660 8.268 -0.608 1
1 978 . 4 1 1 A 99 99 GLU HA H 99 3.900 3.950 -0.050 1
1 983 . 4 1 1 A 99 99 GLU C C 99 180.200 178.843 1.357 1
1 984 . 4 1 1 A 99 99 GLU CA C 99 58.400 59.812 -1.412 1
1 985 . 4 1 1 A 99 99 GLU CB C 99 30.400 29.566 0.834 1
1 987 . 4 1 1 A 99 99 GLU N N 99 118.100 117.636 0.464 1
1 988 . 4 1 1 A 100 100 TYR H H 100 8.770 7.984 0.786 1
1 989 . 4 1 1 A 100 100 TYR HA H 100 3.860 4.020 -0.160 1
1 996 . 4 1 1 A 100 100 TYR C C 100 176.800 177.604 -0.804 1
1 997 . 4 1 1 A 100 100 TYR CA C 100 60.800 60.779 0.021 1
1 998 . 4 1 1 A 100 100 TYR CB C 100 39.200 38.367 0.833 1
1 1003 . 4 1 1 A 100 100 TYR N N 100 120.100 121.819 -1.719 1
1 1004 . 4 1 1 A 101 101 ASP H H 101 8.100 8.965 -0.865 1
1 1005 . 4 1 1 A 101 101 ASP HA H 101 4.180 4.130 0.050 1
1 1008 . 4 1 1 A 101 101 ASP C C 101 178.700 178.331 0.369 1
1 1009 . 4 1 1 A 101 101 ASP CA C 101 57.300 57.472 -0.172 1
1 1010 . 4 1 1 A 101 101 ASP CB C 101 40.800 41.433 -0.633 1
1 1011 . 4 1 1 A 101 101 ASP N N 101 118.400 119.237 -0.837 1
1 1012 . 4 1 1 A 102 102 LYS H H 102 7.480 7.681 -0.201 1
1 1013 . 4 1 1 A 102 102 LYS HA H 102 4.070 4.086 -0.016 1
1 1020 . 4 1 1 A 102 102 LYS CA C 102 58.300 58.007 0.293 1
1 1021 . 4 1 1 A 102 102 LYS CB C 102 32.300 32.245 0.055 1
1 1024 . 4 1 1 A 102 102 LYS N N 102 117.500 118.686 -1.186 1
1 1025 . 4 1 1 A 103 103 LEU H H 103 7.580 7.777 -0.197 1
1 1026 . 4 1 1 A 103 103 LEU HA H 103 4.050 3.929 0.121 1
1 1036 . 4 1 1 A 103 103 LEU C C 103 178.700 179.560 -0.860 1
1 1037 . 4 1 1 A 103 103 LEU CA C 103 56.800 57.786 -0.986 1
1 1038 . 4 1 1 A 103 103 LEU CB C 103 42.000 41.166 0.834 1
1 1042 . 4 1 1 A 103 103 LEU N N 103 120.100 119.913 0.187 1
1 1043 . 4 1 1 A 104 104 LYS H H 104 7.730 7.599 0.131 1
1 1044 . 4 1 1 A 104 104 LYS HA H 104 3.960 3.910 0.050 1
1 1053 . 4 1 1 A 104 104 LYS CA C 104 56.700 58.691 -1.991 1
1 1054 . 4 1 1 A 104 104 LYS CB C 104 31.700 31.126 0.574 1
1 1058 . 4 1 1 A 104 104 LYS N N 104 118.500 118.455 0.045 1
1 1059 . 4 1 1 A 105 105 SER H H 105 7.790 7.647 0.143 1
1 1060 . 4 1 1 A 105 105 SER HA H 105 4.330 4.155 0.175 1
1 1063 . 4 1 1 A 105 105 SER C C 105 174.700 176.204 -1.504 1
1 1064 . 4 1 1 A 105 105 SER CA C 105 58.900 61.375 -2.475 1
1 1065 . 4 1 1 A 105 105 SER CB C 105 63.500 63.301 0.199 1
1 1066 . 4 1 1 A 105 105 SER N N 105 114.900 115.484 -0.584 1
1 1067 . 4 1 1 A 106 106 LYS H H 106 8.000 8.154 -0.154 1
1 1068 . 4 1 1 A 106 106 LYS HA H 106 4.300 4.378 -0.078 1
1 1077 . 4 1 1 A 106 106 LYS C C 106 177.000 177.308 -0.308 1
1 1078 . 4 1 1 A 106 106 LYS CA C 106 56.600 56.644 -0.044 1
1 1079 . 4 1 1 A 106 106 LYS CB C 106 32.800 33.847 -1.047 1
1 1081 . 4 1 1 A 106 106 LYS N N 106 122.400 117.505 4.895 1
1 1082 . 4 1 1 A 107 107 GLY H H 107 8.310 8.018 0.292 1
1 1083 . 4 1 1 A 107 107 GLY HA2 H 107 3.990 3.966 0.024 1
1 1084 . 4 1 1 A 107 107 GLY HA3 H 107 3.990 3.987 0.003 1
1 1085 . 4 1 1 A 107 107 GLY CA C 107 45.300 44.953 0.347 1
1 1086 . 4 1 1 A 107 107 GLY N N 107 110.000 109.371 0.629 1
1 1 . 5 1 1 A 11 11 SER HA H 11 4.510 4.511 -0.001 1
1 4 . 5 1 1 A 11 11 SER C C 11 174.600 173.052 1.548 1
1 5 . 5 1 1 A 11 11 SER CA C 11 58.400 58.655 -0.255 1
1 6 . 5 1 1 A 11 11 SER CB C 11 63.800 63.708 0.092 1
1 7 . 5 1 1 A 12 12 SER H H 12 8.630 8.871 -0.241 1
1 8 . 5 1 1 A 12 12 SER HA H 12 4.500 5.372 -0.872 1
1 11 . 5 1 1 A 12 12 SER C C 12 175.000 173.049 1.951 1
1 12 . 5 1 1 A 12 12 SER CA C 12 58.600 56.358 2.242 1
1 13 . 5 1 1 A 12 12 SER CB C 12 63.900 66.342 -2.442 1
1 14 . 5 1 1 A 12 12 SER N N 12 118.300 122.436 -4.136 1
1 15 . 5 1 1 A 13 13 GLY H H 13 8.560 8.510 0.050 1
1 16 . 5 1 1 A 13 13 GLY HA2 H 13 4.050 4.194 -0.144 1
1 17 . 5 1 1 A 13 13 GLY HA3 H 13 4.050 4.207 -0.157 1
1 18 . 5 1 1 A 13 13 GLY C C 13 174.300 175.305 -1.005 1
1 19 . 5 1 1 A 13 13 GLY CA C 13 45.400 45.538 -0.138 1
1 20 . 5 1 1 A 13 13 GLY N N 13 111.000 111.452 -0.452 1
1 21 . 5 1 1 A 14 14 ARG H H 14 8.260 8.293 -0.033 1
1 22 . 5 1 1 A 14 14 ARG HA H 14 4.320 4.393 -0.073 1
1 29 . 5 1 1 A 14 14 ARG C C 14 176.400 177.791 -1.391 1
1 30 . 5 1 1 A 14 14 ARG CA C 14 56.300 58.191 -1.891 1
1 31 . 5 1 1 A 14 14 ARG CB C 14 30.600 31.262 -0.662 1
1 34 . 5 1 1 A 14 14 ARG N N 14 120.400 118.152 2.248 1
1 35 . 5 1 1 A 15 15 GLU H H 15 8.660 8.363 0.297 1
1 36 . 5 1 1 A 15 15 GLU HA H 15 4.210 4.572 -0.362 1
1 41 . 5 1 1 A 15 15 GLU C C 15 176.200 177.146 -0.946 1
1 42 . 5 1 1 A 15 15 GLU CA C 15 57.200 56.349 0.851 1
1 43 . 5 1 1 A 15 15 GLU CB C 15 29.700 29.002 0.698 1
1 45 . 5 1 1 A 15 15 GLU N N 15 121.100 117.396 3.704 1
1 46 . 5 1 1 A 16 16 ASN H H 16 8.420 8.664 -0.244 1
1 47 . 5 1 1 A 16 16 ASN HA H 16 4.680 4.565 0.115 1
1 52 . 5 1 1 A 16 16 ASN C C 16 175.100 175.599 -0.499 1
1 53 . 5 1 1 A 16 16 ASN CA C 16 53.300 54.104 -0.804 1
1 54 . 5 1 1 A 16 16 ASN CB C 16 38.700 37.038 1.662 1
1 55 . 5 1 1 A 16 16 ASN N N 16 118.900 119.150 -0.250 1
1 57 . 5 1 1 A 17 17 LEU H H 17 8.110 7.675 0.435 1
1 58 . 5 1 1 A 17 17 LEU HA H 17 4.210 4.423 -0.213 1
1 68 . 5 1 1 A 17 17 LEU C C 17 177.000 174.972 2.028 1
1 69 . 5 1 1 A 17 17 LEU CA C 17 55.600 54.461 1.139 1
1 70 . 5 1 1 A 17 17 LEU CB C 17 42.200 43.096 -0.896 1
1 74 . 5 1 1 A 17 17 LEU N N 17 121.900 117.043 4.857 1
1 75 . 5 1 1 A 18 18 TYR H H 18 8.070 8.097 -0.027 1
1 76 . 5 1 1 A 18 18 TYR HA H 18 4.530 5.001 -0.471 1
1 83 . 5 1 1 A 18 18 TYR C C 18 175.700 175.587 0.113 1
1 84 . 5 1 1 A 18 18 TYR CA C 18 58.000 55.967 2.033 1
1 85 . 5 1 1 A 18 18 TYR CB C 18 38.700 39.418 -0.718 1
1 90 . 5 1 1 A 18 18 TYR N N 18 119.500 118.938 0.562 1
1 91 . 5 1 1 A 19 19 PHE H H 19 8.120 8.446 -0.326 1
1 92 . 5 1 1 A 19 19 PHE HA H 19 4.560 4.778 -0.218 1
1 99 . 5 1 1 A 19 19 PHE C C 19 175.500 175.940 -0.440 1
1 100 . 5 1 1 A 19 19 PHE CA C 19 57.900 57.755 0.145 1
1 101 . 5 1 1 A 19 19 PHE CB C 19 39.500 40.326 -0.826 1
1 106 . 5 1 1 A 19 19 PHE N N 19 121.200 120.892 0.308 1
1 107 . 5 1 1 A 20 20 GLN H H 20 8.300 7.583 0.717 1
1 108 . 5 1 1 A 20 20 GLN HA H 20 4.200 3.970 0.230 1
1 115 . 5 1 1 A 20 20 GLN C C 20 176.000 176.008 -0.008 1
1 116 . 5 1 1 A 20 20 GLN CA C 20 56.100 56.959 -0.859 1
1 117 . 5 1 1 A 20 20 GLN CB C 20 29.100 26.007 3.093 1
1 119 . 5 1 1 A 20 20 GLN N N 20 121.700 114.132 7.568 1
1 121 . 5 1 1 A 21 21 GLY H H 21 7.970 7.537 0.433 1
1 122 . 5 1 1 A 21 21 GLY HA2 H 21 3.940 3.967 -0.027 1
1 123 . 5 1 1 A 21 21 GLY HA3 H 21 3.830 4.216 -0.386 1
1 124 . 5 1 1 A 21 21 GLY CA C 21 45.400 45.974 -0.574 1
1 125 . 5 1 1 A 21 21 GLY N N 21 108.500 105.436 3.064 1
1 126 . 5 1 1 A 22 22 HIS H H 22 8.280 7.681 0.599 1
1 127 . 5 1 1 A 22 22 HIS C C 22 174.000 174.057 -0.057 1
1 128 . 5 1 1 A 22 22 HIS CA C 22 56.000 55.693 0.307 1
1 129 . 5 1 1 A 22 22 HIS CB C 22 29.900 30.810 -0.910 1
1 130 . 5 1 1 A 22 22 HIS N N 22 118.700 116.139 2.561 1
1 134 . 5 1 1 A 23 23 MET C C 23 175.900 175.048 0.852 1
1 135 . 5 1 1 A 23 23 MET CB C 23 32.700 35.495 -2.795 1
1 137 . 5 1 1 A 24 24 CYS H H 24 8.390 8.794 -0.404 1
1 138 . 5 1 1 A 24 24 CYS HA H 24 4.620 4.460 0.160 1
1 141 . 5 1 1 A 24 24 CYS C C 24 175.400 175.663 -0.263 1
1 142 . 5 1 1 A 24 24 CYS CA C 24 58.000 59.578 -1.578 1
1 143 . 5 1 1 A 24 24 CYS CB C 24 27.900 28.742 -0.842 1
1 144 . 5 1 1 A 24 24 CYS N N 24 120.600 120.356 0.244 1
1 145 . 5 1 1 A 25 25 ILE H H 25 8.550 8.586 -0.036 1
1 146 . 5 1 1 A 25 25 ILE HA H 25 4.010 3.826 0.184 1
1 156 . 5 1 1 A 25 25 ILE C C 25 176.200 176.985 -0.785 1
1 157 . 5 1 1 A 25 25 ILE CA C 25 63.400 64.751 -1.351 1
1 158 . 5 1 1 A 25 25 ILE CB C 25 38.100 37.769 0.331 1
1 162 . 5 1 1 A 25 25 ILE N N 25 124.600 128.373 -3.773 1
1 163 . 5 1 1 A 26 26 GLN H H 26 8.860 8.093 0.767 1
1 164 . 5 1 1 A 26 26 GLN HA H 26 3.340 3.757 -0.417 1
1 171 . 5 1 1 A 26 26 GLN C C 26 176.800 178.667 -1.867 1
1 172 . 5 1 1 A 26 26 GLN CA C 26 60.200 59.187 1.013 1
1 173 . 5 1 1 A 26 26 GLN CB C 26 27.800 27.980 -0.180 1
1 175 . 5 1 1 A 26 26 GLN N N 26 121.900 120.426 1.474 1
1 177 . 5 1 1 A 27 27 LYS H H 27 7.340 7.588 -0.248 1
1 178 . 5 1 1 A 27 27 LYS HA H 27 4.070 3.965 0.105 1
1 181 . 5 1 1 A 27 27 LYS C C 27 177.900 179.078 -1.178 1
1 182 . 5 1 1 A 27 27 LYS CA C 27 58.300 59.310 -1.010 1
1 183 . 5 1 1 A 27 27 LYS CB C 27 31.800 32.427 -0.627 1
1 187 . 5 1 1 A 27 27 LYS N N 27 117.700 118.383 -0.683 1
1 188 . 5 1 1 A 28 28 VAL H H 28 7.570 8.091 -0.521 1
1 189 . 5 1 1 A 28 28 VAL HA H 28 3.680 3.601 0.079 1
1 197 . 5 1 1 A 28 28 VAL C C 28 178.600 178.315 0.285 1
1 198 . 5 1 1 A 28 28 VAL CA C 28 66.400 66.388 0.012 1
1 199 . 5 1 1 A 28 28 VAL CB C 28 31.800 31.741 0.059 1
1 202 . 5 1 1 A 28 28 VAL N N 28 119.900 119.484 0.416 1
1 203 . 5 1 1 A 29 29 ILE H H 29 8.180 7.911 0.269 1
1 204 . 5 1 1 A 29 29 ILE HA H 29 3.290 3.473 -0.183 1
1 212 . 5 1 1 A 29 29 ILE C C 29 177.500 177.825 -0.325 1
1 213 . 5 1 1 A 29 29 ILE CA C 29 65.900 65.337 0.563 1
1 214 . 5 1 1 A 29 29 ILE CB C 29 37.600 37.476 0.124 1
1 218 . 5 1 1 A 29 29 ILE N N 29 118.500 119.365 -0.865 1
1 219 . 5 1 1 A 30 30 GLU H H 30 8.370 8.572 -0.202 1
1 220 . 5 1 1 A 30 30 GLU HA H 30 3.610 3.808 -0.198 1
1 225 . 5 1 1 A 30 30 GLU C C 30 179.000 178.629 0.371 1
1 226 . 5 1 1 A 30 30 GLU CA C 30 60.400 59.844 0.556 1
1 227 . 5 1 1 A 30 30 GLU CB C 30 29.600 29.158 0.442 1
1 229 . 5 1 1 A 30 30 GLU N N 30 119.200 121.193 -1.993 1
1 230 . 5 1 1 A 31 31 ASP H H 31 8.710 8.340 0.370 1
1 231 . 5 1 1 A 31 31 ASP HA H 31 4.370 4.315 0.055 1
1 234 . 5 1 1 A 31 31 ASP CA C 31 57.600 57.086 0.514 1
1 235 . 5 1 1 A 31 31 ASP CB C 31 40.200 40.659 -0.459 1
1 236 . 5 1 1 A 31 31 ASP N N 31 125.100 120.415 4.685 1
1 237 . 5 1 1 A 32 32 LYS H H 32 8.430 7.628 0.802 1
1 238 . 5 1 1 A 32 32 LYS HA H 32 4.030 4.026 0.004 1
1 243 . 5 1 1 A 32 32 LYS C C 32 180.300 179.700 0.600 1
1 244 . 5 1 1 A 32 32 LYS CA C 32 60.400 59.332 1.068 1
1 245 . 5 1 1 A 32 32 LYS CB C 32 33.100 32.321 0.779 1
1 248 . 5 1 1 A 32 32 LYS N N 32 120.700 119.132 1.568 1
1 249 . 5 1 1 A 33 33 LEU H H 33 8.580 7.612 0.968 1
1 250 . 5 1 1 A 33 33 LEU HA H 33 4.000 4.014 -0.014 1
1 260 . 5 1 1 A 33 33 LEU C C 33 179.200 179.319 -0.119 1
1 261 . 5 1 1 A 33 33 LEU CA C 33 58.000 57.769 0.231 1
1 262 . 5 1 1 A 33 33 LEU CB C 33 42.500 41.152 1.348 1
1 266 . 5 1 1 A 33 33 LEU N N 33 117.200 117.625 -0.425 1
1 267 . 5 1 1 A 34 34 SER H H 34 8.670 7.983 0.687 1
1 268 . 5 1 1 A 34 34 SER HA H 34 4.100 4.224 -0.124 1
1 271 . 5 1 1 A 34 34 SER C C 34 176.900 176.713 0.187 1
1 272 . 5 1 1 A 34 34 SER CA C 34 62.500 61.643 0.857 1
1 273 . 5 1 1 A 34 34 SER CB C 34 62.500 62.905 -0.405 1
1 274 . 5 1 1 A 34 34 SER N N 34 115.500 117.549 -2.049 1
1 275 . 5 1 1 A 35 35 SER H H 35 8.080 8.194 -0.114 1
1 276 . 5 1 1 A 35 35 SER HA H 35 4.200 4.167 0.033 1
1 279 . 5 1 1 A 35 35 SER C C 35 175.900 176.430 -0.530 1
1 280 . 5 1 1 A 35 35 SER CA C 35 60.900 61.501 -0.601 1
1 281 . 5 1 1 A 35 35 SER CB C 35 62.900 63.162 -0.262 1
1 282 . 5 1 1 A 35 35 SER N N 35 115.300 117.874 -2.574 1
1 283 . 5 1 1 A 36 36 ALA H H 36 7.570 8.029 -0.459 1
1 284 . 5 1 1 A 36 36 ALA HA H 36 4.340 4.128 0.212 1
1 288 . 5 1 1 A 36 36 ALA C C 36 179.200 179.921 -0.721 1
1 289 . 5 1 1 A 36 36 ALA CA C 36 54.300 54.965 -0.665 1
1 290 . 5 1 1 A 36 36 ALA CB C 36 20.900 18.694 2.206 1
1 291 . 5 1 1 A 36 36 ALA N N 36 119.000 123.688 -4.688 1
1 292 . 5 1 1 A 37 37 LEU H H 37 7.960 8.095 -0.135 1
1 293 . 5 1 1 A 37 37 LEU HA H 37 4.530 4.302 0.228 1
1 303 . 5 1 1 A 37 37 LEU CA C 37 53.500 55.131 -1.631 1
1 304 . 5 1 1 A 37 37 LEU CB C 37 42.600 42.577 0.023 1
1 308 . 5 1 1 A 37 37 LEU N N 37 111.800 116.077 -4.277 1
1 309 . 5 1 1 A 38 38 LYS H H 38 7.600 7.851 -0.251 1
1 310 . 5 1 1 A 38 38 LYS HA H 38 4.250 4.511 -0.261 1
1 313 . 5 1 1 A 38 38 LYS CA C 38 56.200 57.181 -0.981 1
1 314 . 5 1 1 A 38 38 LYS CB C 38 30.800 31.025 -0.225 1
1 315 . 5 1 1 A 38 38 LYS N N 38 117.200 119.377 -2.177 1
1 316 . 5 1 1 A 39 39 PRO HA H 39 4.670 4.676 -0.006 1
1 323 . 5 1 1 A 39 39 PRO C C 39 178.100 176.985 1.115 1
1 324 . 5 1 1 A 39 39 PRO CA C 39 63.300 62.001 1.299 1
1 325 . 5 1 1 A 39 39 PRO CB C 39 32.700 32.602 0.098 1
1 328 . 5 1 1 A 40 40 THR H H 40 8.500 8.758 -0.258 1
1 329 . 5 1 1 A 40 40 THR HA H 40 4.290 4.292 -0.002 1
1 334 . 5 1 1 A 40 40 THR C C 40 175.700 174.245 1.455 1
1 335 . 5 1 1 A 40 40 THR CA C 40 63.200 63.860 -0.660 1
1 336 . 5 1 1 A 40 40 THR CB C 40 67.600 69.295 -1.695 1
1 338 . 5 1 1 A 40 40 THR N N 40 114.500 110.890 3.610 1
1 339 . 5 1 1 A 41 41 PHE H H 41 7.300 7.549 -0.249 1
1 340 . 5 1 1 A 41 41 PHE HA H 41 4.510 4.742 -0.232 1
1 347 . 5 1 1 A 41 41 PHE C C 41 171.500 173.462 -1.962 1
1 348 . 5 1 1 A 41 41 PHE CA C 41 58.800 56.085 2.715 1
1 349 . 5 1 1 A 41 41 PHE CB C 41 41.000 41.874 -0.874 1
1 354 . 5 1 1 A 41 41 PHE N N 41 121.100 121.488 -0.388 1
1 355 . 5 1 1 A 42 42 LEU H H 42 7.530 8.469 -0.939 1
1 356 . 5 1 1 A 42 42 LEU HA H 42 4.910 4.935 -0.025 1
1 366 . 5 1 1 A 42 42 LEU C C 42 173.700 173.903 -0.203 1
1 367 . 5 1 1 A 42 42 LEU CA C 42 53.500 53.995 -0.495 1
1 368 . 5 1 1 A 42 42 LEU CB C 42 45.300 45.709 -0.409 1
1 372 . 5 1 1 A 42 42 LEU N N 42 129.100 128.793 0.307 1
1 373 . 5 1 1 A 43 43 GLU H H 43 8.690 8.751 -0.061 1
1 374 . 5 1 1 A 43 43 GLU HA H 43 4.400 4.981 -0.581 1
1 379 . 5 1 1 A 43 43 GLU C C 43 173.500 174.662 -1.162 1
1 380 . 5 1 1 A 43 43 GLU CA C 43 55.800 54.489 1.311 1
1 381 . 5 1 1 A 43 43 GLU CB C 43 34.100 33.219 0.881 1
1 383 . 5 1 1 A 43 43 GLU N N 43 126.900 127.608 -0.708 1
1 384 . 5 1 1 A 44 44 LEU H H 44 9.000 9.082 -0.082 1
1 385 . 5 1 1 A 44 44 LEU HA H 44 5.130 5.105 0.025 1
1 395 . 5 1 1 A 44 44 LEU C C 44 175.100 176.041 -0.941 1
1 396 . 5 1 1 A 44 44 LEU CA C 44 53.700 53.477 0.223 1
1 397 . 5 1 1 A 44 44 LEU CB C 44 44.600 43.120 1.480 1
1 401 . 5 1 1 A 44 44 LEU N N 44 129.900 127.881 2.019 1
1 402 . 5 1 1 A 45 45 VAL H H 45 9.000 9.298 -0.298 1
1 403 . 5 1 1 A 45 45 VAL HA H 45 4.370 4.964 -0.594 1
1 411 . 5 1 1 A 45 45 VAL C C 45 175.100 174.854 0.246 1
1 412 . 5 1 1 A 45 45 VAL CA C 45 61.200 59.659 1.541 1
1 413 . 5 1 1 A 45 45 VAL CB C 45 35.400 33.975 1.425 1
1 416 . 5 1 1 A 45 45 VAL N N 45 122.300 120.438 1.862 1
1 417 . 5 1 1 A 46 46 ASP H H 46 9.080 8.686 0.394 1
1 418 . 5 1 1 A 46 46 ASP HA H 46 4.530 4.517 0.013 1
1 421 . 5 1 1 A 46 46 ASP C C 46 176.900 175.228 1.672 1
1 422 . 5 1 1 A 46 46 ASP CA C 46 53.900 54.684 -0.784 1
1 423 . 5 1 1 A 46 46 ASP CB C 46 40.600 41.188 -0.588 1
1 424 . 5 1 1 A 46 46 ASP N N 46 127.400 123.861 3.539 1
1 425 . 5 1 1 A 47 47 LYS H H 47 8.490 8.535 -0.045 1
1 426 . 5 1 1 A 47 47 LYS HA H 47 4.560 4.744 -0.184 1
1 427 . 5 1 1 A 47 47 LYS CA C 47 54.200 54.756 -0.556 1
1 428 . 5 1 1 A 47 47 LYS CB C 47 30.400 33.671 -3.271 1
1 429 . 5 1 1 A 47 47 LYS N N 47 129.500 128.019 1.481 1
1 430 . 5 1 1 A 54 54 SER HA H 54 5.550 5.518 0.032 1
1 433 . 5 1 1 A 54 54 SER C C 54 172.900 172.935 -0.035 1
1 434 . 5 1 1 A 54 54 SER CA C 54 57.300 57.564 -0.264 1
1 435 . 5 1 1 A 54 54 SER CB C 54 65.800 65.322 0.478 1
1 436 . 5 1 1 A 55 55 PHE H H 55 8.340 8.945 -0.605 1
1 437 . 5 1 1 A 55 55 PHE HA H 55 5.700 5.132 0.568 1
1 442 . 5 1 1 A 55 55 PHE C C 55 174.400 173.851 0.549 1
1 443 . 5 1 1 A 55 55 PHE CA C 55 56.700 56.169 0.531 1
1 444 . 5 1 1 A 55 55 PHE CB C 55 45.300 43.566 1.734 1
1 447 . 5 1 1 A 55 55 PHE N N 55 119.600 124.397 -4.797 1
1 448 . 5 1 1 A 56 56 ASP H H 56 8.840 9.222 -0.382 1
1 449 . 5 1 1 A 56 56 ASP HA H 56 5.350 5.160 0.190 1
1 452 . 5 1 1 A 56 56 ASP C C 56 174.400 174.415 -0.015 1
1 453 . 5 1 1 A 56 56 ASP CA C 56 52.900 52.520 0.380 1
1 454 . 5 1 1 A 56 56 ASP CB C 56 43.700 43.627 0.073 1
1 455 . 5 1 1 A 56 56 ASP N N 56 121.500 123.072 -1.572 1
1 456 . 5 1 1 A 57 57 ALA H H 57 8.780 9.076 -0.296 1
1 457 . 5 1 1 A 57 57 ALA HA H 57 5.620 5.550 0.070 1
1 461 . 5 1 1 A 57 57 ALA C C 57 176.400 175.664 0.736 1
1 462 . 5 1 1 A 57 57 ALA CA C 57 50.200 50.157 0.043 1
1 463 . 5 1 1 A 57 57 ALA CB C 57 23.600 20.807 2.793 1
1 464 . 5 1 1 A 57 57 ALA N N 57 125.000 129.064 -4.064 1
1 465 . 5 1 1 A 58 58 VAL H H 58 9.080 9.272 -0.192 1
1 466 . 5 1 1 A 58 58 VAL HA H 58 4.580 4.524 0.056 1
1 474 . 5 1 1 A 58 58 VAL C C 58 175.000 174.281 0.719 1
1 475 . 5 1 1 A 58 58 VAL CA C 58 62.800 62.159 0.641 1
1 476 . 5 1 1 A 58 58 VAL CB C 58 34.100 32.368 1.732 1
1 479 . 5 1 1 A 58 58 VAL N N 58 125.100 123.571 1.529 1
1 480 . 5 1 1 A 59 59 ILE H H 59 8.750 9.008 -0.258 1
1 481 . 5 1 1 A 59 59 ILE HA H 59 4.430 4.973 -0.543 1
1 489 . 5 1 1 A 59 59 ILE C C 59 173.900 173.750 0.150 1
1 490 . 5 1 1 A 59 59 ILE CA C 59 60.900 60.036 0.864 1
1 491 . 5 1 1 A 59 59 ILE CB C 59 41.100 40.491 0.609 1
1 495 . 5 1 1 A 59 59 ILE N N 59 125.000 129.478 -4.478 1
1 496 . 5 1 1 A 60 60 VAL H H 60 8.540 9.148 -0.608 1
1 497 . 5 1 1 A 60 60 VAL HA H 60 5.540 5.326 0.214 1
1 505 . 5 1 1 A 60 60 VAL C C 60 175.900 174.770 1.130 1
1 506 . 5 1 1 A 60 60 VAL CA C 60 60.200 60.994 -0.794 1
1 507 . 5 1 1 A 60 60 VAL CB C 60 31.800 32.698 -0.898 1
1 510 . 5 1 1 A 60 60 VAL N N 60 128.600 131.714 -3.114 1
1 511 . 5 1 1 A 61 61 SER H H 61 8.720 8.771 -0.051 1
1 512 . 5 1 1 A 61 61 SER HA H 61 5.000 5.204 -0.204 1
1 515 . 5 1 1 A 61 61 SER C C 61 175.700 174.041 1.659 1
1 516 . 5 1 1 A 61 61 SER CA C 61 56.500 56.279 0.221 1
1 517 . 5 1 1 A 61 61 SER CB C 61 64.400 65.629 -1.229 1
1 518 . 5 1 1 A 61 61 SER N N 61 115.900 121.797 -5.897 1
1 519 . 5 1 1 A 62 62 ASN H H 62 9.650 9.212 0.438 1
1 520 . 5 1 1 A 62 62 ASN HA H 62 4.670 4.556 0.114 1
1 525 . 5 1 1 A 62 62 ASN CA C 62 56.500 55.600 0.900 1
1 526 . 5 1 1 A 62 62 ASN CB C 62 38.600 38.118 0.482 1
1 528 . 5 1 1 A 62 62 ASN N N 62 129.400 124.185 5.215 1
1 530 . 5 1 1 A 63 63 ASN H H 63 8.920 8.224 0.696 1
1 531 . 5 1 1 A 63 63 ASN HA H 63 4.490 4.641 -0.151 1
1 536 . 5 1 1 A 63 63 ASN C C 63 175.200 176.291 -1.091 1
1 537 . 5 1 1 A 63 63 ASN CA C 63 55.700 54.596 1.104 1
1 538 . 5 1 1 A 63 63 ASN CB C 63 37.600 38.056 -0.456 1
1 539 . 5 1 1 A 63 63 ASN N N 63 119.500 117.669 1.831 1
1 541 . 5 1 1 A 64 64 PHE H H 64 6.950 7.801 -0.851 1
1 542 . 5 1 1 A 64 64 PHE HA H 64 4.690 4.779 -0.089 1
1 545 . 5 1 1 A 64 64 PHE C C 64 174.200 176.152 -1.952 1
1 546 . 5 1 1 A 64 64 PHE CA C 64 54.900 58.507 -3.607 1
1 547 . 5 1 1 A 64 64 PHE CB C 64 37.500 39.894 -2.394 1
1 548 . 5 1 1 A 64 64 PHE N N 64 113.700 119.429 -5.729 1
1 549 . 5 1 1 A 65 65 GLU H H 65 7.470 8.533 -1.063 1
1 550 . 5 1 1 A 65 65 GLU HA H 65 4.010 4.061 -0.051 1
1 555 . 5 1 1 A 65 65 GLU C C 65 174.800 176.746 -1.946 1
1 556 . 5 1 1 A 65 65 GLU CA C 65 58.400 57.846 0.554 1
1 557 . 5 1 1 A 65 65 GLU CB C 65 29.700 27.939 1.761 1
1 559 . 5 1 1 A 65 65 GLU N N 65 120.500 118.161 2.339 1
1 560 . 5 1 1 A 66 66 ASP H H 66 9.010 7.797 1.213 1
1 561 . 5 1 1 A 66 66 ASP HA H 66 4.390 4.477 -0.087 1
1 564 . 5 1 1 A 66 66 ASP C C 66 175.000 176.521 -1.521 1
1 565 . 5 1 1 A 66 66 ASP CA C 66 55.800 53.499 2.301 1
1 566 . 5 1 1 A 66 66 ASP CB C 66 39.800 40.578 -0.778 1
1 567 . 5 1 1 A 66 66 ASP N N 66 119.200 118.060 1.140 1
1 568 . 5 1 1 A 67 67 LYS H H 67 7.800 7.515 0.285 1
1 569 . 5 1 1 A 67 67 LYS C C 67 177.400 175.120 2.280 1
1 570 . 5 1 1 A 67 67 LYS CA C 67 54.700 57.280 -2.580 1
1 571 . 5 1 1 A 67 67 LYS CB C 67 38.400 30.979 7.421 1
1 575 . 5 1 1 A 67 67 LYS N N 67 117.200 118.689 -1.489 1
1 576 . 5 1 1 A 68 68 LYS H H 68 9.340 7.815 1.525 1
1 577 . 5 1 1 A 68 68 LYS HA H 68 4.400 4.491 -0.091 1
1 586 . 5 1 1 A 68 68 LYS C C 68 177.500 177.423 0.077 1
1 587 . 5 1 1 A 68 68 LYS CA C 68 55.900 54.291 1.609 1
1 588 . 5 1 1 A 68 68 LYS CB C 68 32.700 30.666 2.034 1
1 592 . 5 1 1 A 68 68 LYS N N 68 125.800 119.760 6.040 1
1 593 . 5 1 1 A 69 69 LEU H H 69 8.710 8.325 0.385 1
1 594 . 5 1 1 A 69 69 LEU HA H 69 3.630 4.208 -0.578 1
1 603 . 5 1 1 A 69 69 LEU C C 69 178.400 178.797 -0.397 1
1 604 . 5 1 1 A 69 69 LEU CA C 69 60.300 57.922 2.378 1
1 605 . 5 1 1 A 69 69 LEU CB C 69 41.600 41.306 0.294 1
1 608 . 5 1 1 A 69 69 LEU N N 69 124.300 123.389 0.911 1
1 609 . 5 1 1 A 70 70 LEU H H 70 8.700 8.141 0.559 1
1 610 . 5 1 1 A 70 70 LEU HA H 70 3.930 4.021 -0.091 1
1 620 . 5 1 1 A 70 70 LEU C C 70 179.400 178.372 1.028 1
1 621 . 5 1 1 A 70 70 LEU CA C 70 58.200 58.219 -0.019 1
1 622 . 5 1 1 A 70 70 LEU CB C 70 41.700 41.118 0.582 1
1 626 . 5 1 1 A 70 70 LEU N N 70 116.100 119.336 -3.236 1
1 627 . 5 1 1 A 71 71 ASP H H 71 7.130 8.456 -1.326 1
1 628 . 5 1 1 A 71 71 ASP HA H 71 4.660 4.364 0.296 1
1 631 . 5 1 1 A 71 71 ASP C C 71 179.000 178.335 0.665 1
1 632 . 5 1 1 A 71 71 ASP CA C 71 57.100 57.661 -0.561 1
1 633 . 5 1 1 A 71 71 ASP CB C 71 40.800 41.047 -0.247 1
1 634 . 5 1 1 A 71 71 ASP N N 71 117.600 119.433 -1.833 1
1 635 . 5 1 1 A 72 72 ARG H H 72 8.190 8.004 0.186 1
1 636 . 5 1 1 A 72 72 ARG HA H 72 3.930 3.969 -0.039 1
1 637 . 5 1 1 A 72 72 ARG C C 72 177.000 178.335 -1.335 1
1 638 . 5 1 1 A 72 72 ARG CA C 72 60.100 59.129 0.971 1
1 639 . 5 1 1 A 72 72 ARG CB C 72 29.300 29.966 -0.666 1
1 642 . 5 1 1 A 72 72 ARG N N 72 122.200 120.373 1.827 1
1 643 . 5 1 1 A 73 73 HIS H H 73 8.030 8.482 -0.452 1
1 644 . 5 1 1 A 73 73 HIS HA H 73 4.100 4.282 -0.182 1
1 648 . 5 1 1 A 73 73 HIS C C 73 177.300 176.814 0.486 1
1 649 . 5 1 1 A 73 73 HIS CA C 73 58.100 60.080 -1.980 1
1 650 . 5 1 1 A 73 73 HIS CB C 73 30.200 29.975 0.225 1
1 652 . 5 1 1 A 73 73 HIS N N 73 116.800 119.163 -2.363 1
1 653 . 5 1 1 A 74 74 ARG H H 74 8.290 8.245 0.045 1
1 654 . 5 1 1 A 74 74 ARG HA H 74 4.080 3.951 0.129 1
1 661 . 5 1 1 A 74 74 ARG C C 74 178.700 178.743 -0.043 1
1 662 . 5 1 1 A 74 74 ARG CA C 74 59.700 58.850 0.850 1
1 663 . 5 1 1 A 74 74 ARG CB C 74 30.400 30.240 0.160 1
1 666 . 5 1 1 A 74 74 ARG N N 74 118.200 118.481 -0.281 1
1 667 . 5 1 1 A 75 75 LEU H H 75 7.740 8.096 -0.356 1
1 668 . 5 1 1 A 75 75 LEU HA H 75 4.270 4.032 0.238 1
1 678 . 5 1 1 A 75 75 LEU CA C 75 58.300 58.057 0.243 1
1 679 . 5 1 1 A 75 75 LEU CB C 75 42.000 42.231 -0.231 1
1 683 . 5 1 1 A 75 75 LEU N N 75 121.200 121.241 -0.041 1
1 684 . 5 1 1 A 76 76 VAL H H 76 7.590 7.951 -0.361 1
1 685 . 5 1 1 A 76 76 VAL HA H 76 3.360 3.465 -0.105 1
1 693 . 5 1 1 A 76 76 VAL C C 76 176.800 177.208 -0.408 1
1 694 . 5 1 1 A 76 76 VAL CA C 76 67.500 66.812 0.688 1
1 695 . 5 1 1 A 76 76 VAL CB C 76 31.500 31.261 0.239 1
1 698 . 5 1 1 A 76 76 VAL N N 76 119.300 117.555 1.745 1
1 699 . 5 1 1 A 77 77 ASN H H 77 8.690 8.086 0.604 1
1 700 . 5 1 1 A 77 77 ASN HA H 77 4.190 4.412 -0.222 1
1 705 . 5 1 1 A 77 77 ASN C C 77 178.000 178.297 -0.297 1
1 706 . 5 1 1 A 77 77 ASN CA C 77 55.400 56.001 -0.601 1
1 707 . 5 1 1 A 77 77 ASN CB C 77 37.600 37.417 0.183 1
1 708 . 5 1 1 A 77 77 ASN N N 77 117.100 118.780 -1.680 1
1 710 . 5 1 1 A 78 78 THR H H 78 8.050 7.763 0.287 1
1 711 . 5 1 1 A 78 78 THR HA H 78 3.970 3.992 -0.022 1
1 716 . 5 1 1 A 78 78 THR C C 78 176.900 176.503 0.397 1
1 717 . 5 1 1 A 78 78 THR CA C 78 66.700 67.125 -0.425 1
1 718 . 5 1 1 A 78 78 THR CB C 78 68.800 68.331 0.469 1
1 720 . 5 1 1 A 78 78 THR N N 78 116.300 118.100 -1.800 1
1 721 . 5 1 1 A 79 79 ILE H H 79 8.020 7.475 0.545 1
1 722 . 5 1 1 A 79 79 ILE HA H 79 3.670 3.884 -0.214 1
1 730 . 5 1 1 A 79 79 ILE CA C 79 65.000 64.061 0.939 1
1 731 . 5 1 1 A 79 79 ILE CB C 79 38.500 37.949 0.551 1
1 734 . 5 1 1 A 79 79 ILE N N 79 124.800 120.915 3.885 1
1 735 . 5 1 1 A 80 80 LEU H H 80 7.770 8.304 -0.534 1
1 745 . 5 1 1 A 80 80 LEU C C 80 176.000 178.659 -2.659 1
1 746 . 5 1 1 A 80 80 LEU CA C 80 52.900 55.547 -2.647 1
1 747 . 5 1 1 A 80 80 LEU CB C 80 41.100 41.476 -0.376 1
1 751 . 5 1 1 A 80 80 LEU N N 80 115.200 119.733 -4.533 1
1 752 . 5 1 1 A 81 81 LYS H H 81 6.880 7.745 -0.865 1
1 753 . 5 1 1 A 81 81 LYS HA H 81 3.820 3.863 -0.043 1
1 762 . 5 1 1 A 81 81 LYS C C 81 178.400 178.993 -0.593 1
1 763 . 5 1 1 A 81 81 LYS CA C 81 60.700 59.737 0.963 1
1 764 . 5 1 1 A 81 81 LYS CB C 81 32.800 32.476 0.324 1
1 768 . 5 1 1 A 81 81 LYS N N 81 120.300 121.344 -1.044 1
1 769 . 5 1 1 A 82 82 GLU H H 82 8.620 8.036 0.584 1
1 770 . 5 1 1 A 82 82 GLU HA H 82 4.020 4.067 -0.047 1
1 773 . 5 1 1 A 82 82 GLU C C 82 178.500 178.568 -0.068 1
1 774 . 5 1 1 A 82 82 GLU CA C 82 59.000 59.038 -0.038 1
1 775 . 5 1 1 A 82 82 GLU CB C 82 28.700 29.091 -0.391 1
1 777 . 5 1 1 A 82 82 GLU N N 82 116.700 118.764 -2.064 1
1 778 . 5 1 1 A 83 83 GLU H H 83 8.070 7.707 0.363 1
1 779 . 5 1 1 A 83 83 GLU HA H 83 3.980 3.990 -0.010 1
1 784 . 5 1 1 A 83 83 GLU C C 83 179.300 178.764 0.536 1
1 785 . 5 1 1 A 83 83 GLU CA C 83 60.900 59.161 1.739 1
1 786 . 5 1 1 A 83 83 GLU CB C 83 28.900 29.469 -0.569 1
1 788 . 5 1 1 A 83 83 GLU N N 83 120.300 120.006 0.294 1
1 789 . 5 1 1 A 84 84 LEU H H 84 8.480 8.366 0.114 1
1 790 . 5 1 1 A 84 84 LEU HA H 84 3.910 3.879 0.031 1
1 800 . 5 1 1 A 84 84 LEU C C 84 178.200 179.476 -1.276 1
1 801 . 5 1 1 A 84 84 LEU CA C 84 57.000 58.040 -1.040 1
1 802 . 5 1 1 A 84 84 LEU CB C 84 40.800 41.270 -0.470 1
1 806 . 5 1 1 A 84 84 LEU N N 84 116.700 120.007 -3.307 1
1 807 . 5 1 1 A 85 85 GLN H H 85 7.130 8.010 -0.880 1
1 808 . 5 1 1 A 85 85 GLN HA H 85 4.140 3.967 0.173 1
1 815 . 5 1 1 A 85 85 GLN C C 85 176.300 178.091 -1.791 1
1 816 . 5 1 1 A 85 85 GLN CA C 85 57.900 58.779 -0.879 1
1 817 . 5 1 1 A 85 85 GLN CB C 85 28.900 28.348 0.552 1
1 819 . 5 1 1 A 85 85 GLN N N 85 115.400 117.795 -2.395 1
1 821 . 5 1 1 A 86 86 ASN H H 86 7.630 7.867 -0.237 1
1 822 . 5 1 1 A 86 86 ASN HA H 86 5.020 4.724 0.296 1
1 827 . 5 1 1 A 86 86 ASN C C 86 174.100 175.697 -1.597 1
1 828 . 5 1 1 A 86 86 ASN CA C 86 52.800 54.956 -2.156 1
1 829 . 5 1 1 A 86 86 ASN CB C 86 40.400 39.086 1.314 1
1 830 . 5 1 1 A 86 86 ASN N N 86 114.000 115.939 -1.939 1
1 832 . 5 1 1 A 87 87 ILE H H 87 7.300 8.325 -1.025 1
1 833 . 5 1 1 A 87 87 ILE HA H 87 4.320 5.101 -0.781 1
1 843 . 5 1 1 A 87 87 ILE C C 87 174.500 176.168 -1.668 1
1 844 . 5 1 1 A 87 87 ILE CA C 87 60.400 60.035 0.365 1
1 845 . 5 1 1 A 87 87 ILE CB C 87 40.600 40.494 0.106 1
1 849 . 5 1 1 A 87 87 ILE N N 87 119.300 119.312 -0.012 1
1 850 . 5 1 1 A 88 88 HIS H H 88 9.140 8.978 0.162 1
1 851 . 5 1 1 A 88 88 HIS HA H 88 4.680 4.586 0.094 1
1 855 . 5 1 1 A 88 88 HIS CA C 88 57.300 57.681 -0.381 1
1 856 . 5 1 1 A 88 88 HIS CB C 88 30.200 31.684 -1.484 1
1 858 . 5 1 1 A 88 88 HIS N N 88 125.000 125.095 -0.095 1
1 859 . 5 1 1 A 89 89 ALA H H 89 7.600 7.545 0.055 1
1 860 . 5 1 1 A 89 89 ALA HA H 89 4.620 4.522 0.098 1
1 864 . 5 1 1 A 89 89 ALA C C 89 174.300 175.730 -1.430 1
1 865 . 5 1 1 A 89 89 ALA CA C 89 52.300 51.402 0.898 1
1 866 . 5 1 1 A 89 89 ALA CB C 89 21.300 19.923 1.377 1
1 867 . 5 1 1 A 89 89 ALA N N 89 120.100 119.438 0.662 1
1 868 . 5 1 1 A 90 90 PHE H H 90 8.830 9.322 -0.492 1
1 869 . 5 1 1 A 90 90 PHE HA H 90 5.220 5.302 -0.082 1
1 877 . 5 1 1 A 90 90 PHE C C 90 173.700 174.376 -0.676 1
1 878 . 5 1 1 A 90 90 PHE CA C 90 57.200 57.041 0.159 1
1 879 . 5 1 1 A 90 90 PHE CB C 90 42.000 42.116 -0.116 1
1 885 . 5 1 1 A 90 90 PHE N N 90 126.100 126.964 -0.864 1
1 886 . 5 1 1 A 91 91 SER H H 91 8.320 8.768 -0.448 1
1 887 . 5 1 1 A 91 91 SER HA H 91 4.730 5.347 -0.617 1
1 891 . 5 1 1 A 91 91 SER C C 91 172.600 172.202 0.398 1
1 892 . 5 1 1 A 91 91 SER CA C 91 56.500 56.205 0.295 1
1 893 . 5 1 1 A 91 91 SER CB C 91 64.100 66.197 -2.097 1
1 894 . 5 1 1 A 91 91 SER N N 91 123.100 122.636 0.464 1
1 895 . 5 1 1 A 92 92 MET H H 92 8.660 8.965 -0.305 1
1 896 . 5 1 1 A 92 92 MET HA H 92 5.490 5.462 0.028 1
1 901 . 5 1 1 A 92 92 MET C C 92 174.300 174.555 -0.255 1
1 902 . 5 1 1 A 92 92 MET CA C 92 53.600 53.485 0.115 1
1 903 . 5 1 1 A 92 92 MET CB C 92 37.500 35.330 2.170 1
1 906 . 5 1 1 A 92 92 MET N N 92 119.600 120.575 -0.975 1
1 907 . 5 1 1 A 93 93 LYS H H 93 8.190 9.072 -0.882 1
1 908 . 5 1 1 A 93 93 LYS HA H 93 4.450 4.848 -0.398 1
1 917 . 5 1 1 A 93 93 LYS C C 93 174.400 175.116 -0.716 1
1 918 . 5 1 1 A 93 93 LYS CA C 93 55.400 54.556 0.844 1
1 919 . 5 1 1 A 93 93 LYS CB C 93 34.700 34.252 0.448 1
1 923 . 5 1 1 A 93 93 LYS N N 93 122.700 122.551 0.149 1
1 924 . 5 1 1 A 94 94 CYS H H 94 8.340 8.570 -0.230 1
1 925 . 5 1 1 A 94 94 CYS HA H 94 4.960 5.225 -0.265 1
1 928 . 5 1 1 A 94 94 CYS C C 94 173.600 173.624 -0.024 1
1 929 . 5 1 1 A 94 94 CYS CA C 94 56.600 57.219 -0.619 1
1 930 . 5 1 1 A 94 94 CYS CB C 94 29.800 28.952 0.848 1
1 931 . 5 1 1 A 94 94 CYS N N 94 120.300 124.755 -4.455 1
1 932 . 5 1 1 A 95 95 HIS H H 95 9.040 9.072 -0.032 1
1 933 . 5 1 1 A 95 95 HIS HA H 95 5.440 5.276 0.164 1
1 936 . 5 1 1 A 95 95 HIS C C 95 175.700 174.947 0.753 1
1 937 . 5 1 1 A 95 95 HIS CA C 95 53.600 54.626 -1.026 1
1 938 . 5 1 1 A 95 95 HIS CB C 95 35.300 34.257 1.043 1
1 939 . 5 1 1 A 95 95 HIS N N 95 122.000 120.879 1.121 1
1 940 . 5 1 1 A 96 96 THR H H 96 8.910 8.710 0.200 1
1 941 . 5 1 1 A 96 96 THR HA H 96 5.150 5.061 0.089 1
1 945 . 5 1 1 A 96 96 THR CA C 96 60.100 59.373 0.727 1
1 946 . 5 1 1 A 96 96 THR CB C 96 67.600 69.707 -2.107 1
1 948 . 5 1 1 A 96 96 THR N N 96 113.600 113.120 0.480 1
1 949 . 5 1 1 A 97 97 PRO HA H 97 4.060 4.409 -0.349 1
1 956 . 5 1 1 A 97 97 PRO C C 97 178.600 177.564 1.036 1
1 957 . 5 1 1 A 97 97 PRO CA C 97 66.600 65.877 0.723 1
1 958 . 5 1 1 A 97 97 PRO CB C 97 31.600 31.542 0.058 1
1 961 . 5 1 1 A 98 98 LEU H H 98 8.410 7.867 0.543 1
1 962 . 5 1 1 A 98 98 LEU HA H 98 4.230 4.075 0.155 1
1 971 . 5 1 1 A 98 98 LEU C C 98 179.800 178.277 1.523 1
1 972 . 5 1 1 A 98 98 LEU CA C 98 58.200 57.501 0.699 1
1 973 . 5 1 1 A 98 98 LEU CB C 98 42.000 41.708 0.292 1
1 976 . 5 1 1 A 98 98 LEU N N 98 118.300 117.812 0.488 1
1 977 . 5 1 1 A 99 99 GLU H H 99 7.660 8.413 -0.753 1
1 978 . 5 1 1 A 99 99 GLU HA H 99 3.900 3.916 -0.016 1
1 983 . 5 1 1 A 99 99 GLU C C 99 180.200 178.498 1.702 1
1 984 . 5 1 1 A 99 99 GLU CA C 99 58.400 59.691 -1.291 1
1 985 . 5 1 1 A 99 99 GLU CB C 99 30.400 29.577 0.823 1
1 987 . 5 1 1 A 99 99 GLU N N 99 118.100 119.312 -1.212 1
1 988 . 5 1 1 A 100 100 TYR H H 100 8.770 8.557 0.213 1
1 989 . 5 1 1 A 100 100 TYR HA H 100 3.860 4.049 -0.189 1
1 996 . 5 1 1 A 100 100 TYR C C 100 176.800 177.298 -0.498 1
1 997 . 5 1 1 A 100 100 TYR CA C 100 60.800 61.261 -0.461 1
1 998 . 5 1 1 A 100 100 TYR CB C 100 39.200 38.557 0.643 1
1 1003 . 5 1 1 A 100 100 TYR N N 100 120.100 121.202 -1.102 1
1 1004 . 5 1 1 A 101 101 ASP H H 101 8.100 8.360 -0.260 1
1 1005 . 5 1 1 A 101 101 ASP HA H 101 4.180 4.157 0.023 1
1 1008 . 5 1 1 A 101 101 ASP C C 101 178.700 178.307 0.393 1
1 1009 . 5 1 1 A 101 101 ASP CA C 101 57.300 57.674 -0.374 1
1 1010 . 5 1 1 A 101 101 ASP CB C 101 40.800 41.812 -1.012 1
1 1011 . 5 1 1 A 101 101 ASP N N 101 118.400 119.090 -0.690 1
1 1012 . 5 1 1 A 102 102 LYS H H 102 7.480 7.320 0.160 1
1 1013 . 5 1 1 A 102 102 LYS HA H 102 4.070 4.008 0.062 1
1 1020 . 5 1 1 A 102 102 LYS CA C 102 58.300 59.541 -1.241 1
1 1021 . 5 1 1 A 102 102 LYS CB C 102 32.300 32.274 0.026 1
1 1024 . 5 1 1 A 102 102 LYS N N 102 117.500 119.196 -1.696 1
1 1025 . 5 1 1 A 103 103 LEU H H 103 7.580 7.588 -0.008 1
1 1026 . 5 1 1 A 103 103 LEU HA H 103 4.050 3.887 0.163 1
1 1036 . 5 1 1 A 103 103 LEU C C 103 178.700 179.580 -0.880 1
1 1037 . 5 1 1 A 103 103 LEU CA C 103 56.800 57.620 -0.820 1
1 1038 . 5 1 1 A 103 103 LEU CB C 103 42.000 41.208 0.792 1
1 1042 . 5 1 1 A 103 103 LEU N N 103 120.100 120.120 -0.020 1
1 1043 . 5 1 1 A 104 104 LYS H H 104 7.730 7.934 -0.204 1
1 1044 . 5 1 1 A 104 104 LYS HA H 104 3.960 3.908 0.052 1
1 1053 . 5 1 1 A 104 104 LYS CA C 104 56.700 58.544 -1.844 1
1 1054 . 5 1 1 A 104 104 LYS CB C 104 31.700 31.116 0.584 1
1 1058 . 5 1 1 A 104 104 LYS N N 104 118.500 118.337 0.163 1
1 1059 . 5 1 1 A 105 105 SER H H 105 7.790 7.630 0.160 1
1 1060 . 5 1 1 A 105 105 SER HA H 105 4.330 4.218 0.112 1
1 1063 . 5 1 1 A 105 105 SER C C 105 174.700 175.642 -0.942 1
1 1064 . 5 1 1 A 105 105 SER CA C 105 58.900 60.814 -1.914 1
1 1065 . 5 1 1 A 105 105 SER CB C 105 63.500 63.133 0.367 1
1 1066 . 5 1 1 A 105 105 SER N N 105 114.900 115.199 -0.299 1
1 1067 . 5 1 1 A 106 106 LYS H H 106 8.000 7.389 0.611 1
1 1068 . 5 1 1 A 106 106 LYS HA H 106 4.300 4.445 -0.145 1
1 1077 . 5 1 1 A 106 106 LYS C C 106 177.000 177.124 -0.124 1
1 1078 . 5 1 1 A 106 106 LYS CA C 106 56.600 56.089 0.511 1
1 1079 . 5 1 1 A 106 106 LYS CB C 106 32.800 34.677 -1.877 1
1 1081 . 5 1 1 A 106 106 LYS N N 106 122.400 115.875 6.525 1
1 1082 . 5 1 1 A 107 107 GLY H H 107 8.310 8.393 -0.083 1
1 1083 . 5 1 1 A 107 107 GLY HA2 H 107 3.990 3.922 0.068 1
1 1084 . 5 1 1 A 107 107 GLY HA3 H 107 3.990 3.955 0.035 1
1 1085 . 5 1 1 A 107 107 GLY CA C 107 45.300 46.101 -0.801 1
1 1086 . 5 1 1 A 107 107 GLY N N 107 110.000 109.837 0.163 1
1 1 . 6 1 1 A 11 11 SER HA H 11 4.510 4.675 -0.165 1
1 4 . 6 1 1 A 11 11 SER C C 11 174.600 173.121 1.479 1
1 5 . 6 1 1 A 11 11 SER CA C 11 58.400 56.823 1.577 1
1 6 . 6 1 1 A 11 11 SER CB C 11 63.800 65.318 -1.518 1
1 7 . 6 1 1 A 12 12 SER H H 12 8.630 8.660 -0.030 1
1 8 . 6 1 1 A 12 12 SER HA H 12 4.500 4.614 -0.114 1
1 11 . 6 1 1 A 12 12 SER C C 12 175.000 174.494 0.506 1
1 12 . 6 1 1 A 12 12 SER CA C 12 58.600 57.740 0.860 1
1 13 . 6 1 1 A 12 12 SER CB C 12 63.900 61.390 2.510 1
1 14 . 6 1 1 A 12 12 SER N N 12 118.300 118.717 -0.417 1
1 15 . 6 1 1 A 13 13 GLY H H 13 8.560 8.724 -0.164 1
1 16 . 6 1 1 A 13 13 GLY HA2 H 13 4.050 4.061 -0.011 1
1 17 . 6 1 1 A 13 13 GLY HA3 H 13 4.050 4.076 -0.026 1
1 18 . 6 1 1 A 13 13 GLY C C 13 174.300 175.500 -1.200 1
1 19 . 6 1 1 A 13 13 GLY CA C 13 45.400 45.553 -0.153 1
1 20 . 6 1 1 A 13 13 GLY N N 13 111.000 111.681 -0.681 1
1 21 . 6 1 1 A 14 14 ARG H H 14 8.260 8.133 0.127 1
1 22 . 6 1 1 A 14 14 ARG HA H 14 4.320 4.396 -0.076 1
1 29 . 6 1 1 A 14 14 ARG C C 14 176.400 176.860 -0.460 1
1 30 . 6 1 1 A 14 14 ARG CA C 14 56.300 58.859 -2.559 1
1 31 . 6 1 1 A 14 14 ARG CB C 14 30.600 29.895 0.705 1
1 34 . 6 1 1 A 14 14 ARG N N 14 120.400 118.886 1.514 1
1 35 . 6 1 1 A 15 15 GLU H H 15 8.660 8.078 0.582 1
1 36 . 6 1 1 A 15 15 GLU HA H 15 4.210 4.609 -0.399 1
1 41 . 6 1 1 A 15 15 GLU C C 15 176.200 177.218 -1.018 1
1 42 . 6 1 1 A 15 15 GLU CA C 15 57.200 55.566 1.634 1
1 43 . 6 1 1 A 15 15 GLU CB C 15 29.700 30.409 -0.709 1
1 45 . 6 1 1 A 15 15 GLU N N 15 121.100 115.693 5.407 1
1 46 . 6 1 1 A 16 16 ASN H H 16 8.420 8.478 -0.058 1
1 47 . 6 1 1 A 16 16 ASN HA H 16 4.680 4.537 0.143 1
1 52 . 6 1 1 A 16 16 ASN C C 16 175.100 176.151 -1.051 1
1 53 . 6 1 1 A 16 16 ASN CA C 16 53.300 54.114 -0.814 1
1 54 . 6 1 1 A 16 16 ASN CB C 16 38.700 36.857 1.843 1
1 55 . 6 1 1 A 16 16 ASN N N 16 118.900 119.797 -0.897 1
1 57 . 6 1 1 A 17 17 LEU H H 17 8.110 7.789 0.321 1
1 58 . 6 1 1 A 17 17 LEU HA H 17 4.210 3.987 0.223 1
1 68 . 6 1 1 A 17 17 LEU C C 17 177.000 176.203 0.797 1
1 69 . 6 1 1 A 17 17 LEU CA C 17 55.600 55.447 0.153 1
1 70 . 6 1 1 A 17 17 LEU CB C 17 42.200 41.370 0.830 1
1 74 . 6 1 1 A 17 17 LEU N N 17 121.900 117.877 4.023 1
1 75 . 6 1 1 A 18 18 TYR H H 18 8.070 7.235 0.835 1
1 76 . 6 1 1 A 18 18 TYR HA H 18 4.530 4.416 0.114 1
1 83 . 6 1 1 A 18 18 TYR C C 18 175.700 175.505 0.195 1
1 84 . 6 1 1 A 18 18 TYR CA C 18 58.000 57.113 0.887 1
1 85 . 6 1 1 A 18 18 TYR CB C 18 38.700 39.627 -0.927 1
1 90 . 6 1 1 A 18 18 TYR N N 18 119.500 119.927 -0.427 1
1 91 . 6 1 1 A 19 19 PHE H H 19 8.120 8.675 -0.555 1
1 92 . 6 1 1 A 19 19 PHE HA H 19 4.560 4.388 0.172 1
1 99 . 6 1 1 A 19 19 PHE C C 19 175.500 175.583 -0.083 1
1 100 . 6 1 1 A 19 19 PHE CA C 19 57.900 59.323 -1.423 1
1 101 . 6 1 1 A 19 19 PHE CB C 19 39.500 39.686 -0.186 1
1 106 . 6 1 1 A 19 19 PHE N N 19 121.200 123.133 -1.933 1
1 107 . 6 1 1 A 20 20 GLN H H 20 8.300 8.382 -0.082 1
1 108 . 6 1 1 A 20 20 GLN HA H 20 4.200 4.039 0.161 1
1 115 . 6 1 1 A 20 20 GLN C C 20 176.000 175.976 0.024 1
1 116 . 6 1 1 A 20 20 GLN CA C 20 56.100 56.897 -0.797 1
1 117 . 6 1 1 A 20 20 GLN CB C 20 29.100 26.492 2.608 1
1 119 . 6 1 1 A 20 20 GLN N N 20 121.700 116.062 5.638 1
1 121 . 6 1 1 A 21 21 GLY H H 21 7.970 8.692 -0.722 1
1 122 . 6 1 1 A 21 21 GLY HA2 H 21 3.940 3.886 0.054 1
1 123 . 6 1 1 A 21 21 GLY HA3 H 21 3.830 3.909 -0.079 1
1 124 . 6 1 1 A 21 21 GLY CA C 21 45.400 45.489 -0.089 1
1 125 . 6 1 1 A 21 21 GLY N N 21 108.500 105.971 2.529 1
1 126 . 6 1 1 A 22 22 HIS H H 22 8.280 7.867 0.413 1
1 127 . 6 1 1 A 22 22 HIS C C 22 174.000 174.761 -0.761 1
1 128 . 6 1 1 A 22 22 HIS CA C 22 56.000 56.053 -0.053 1
1 129 . 6 1 1 A 22 22 HIS CB C 22 29.900 30.115 -0.215 1
1 130 . 6 1 1 A 22 22 HIS N N 22 118.700 118.546 0.154 1
1 134 . 6 1 1 A 23 23 MET C C 23 175.900 176.192 -0.292 1
1 135 . 6 1 1 A 23 23 MET CB C 23 32.700 31.524 1.176 1
1 137 . 6 1 1 A 24 24 CYS H H 24 8.390 8.549 -0.159 1
1 138 . 6 1 1 A 24 24 CYS HA H 24 4.620 4.455 0.165 1
1 141 . 6 1 1 A 24 24 CYS C C 24 175.400 175.846 -0.446 1
1 142 . 6 1 1 A 24 24 CYS CA C 24 58.000 59.032 -1.032 1
1 143 . 6 1 1 A 24 24 CYS CB C 24 27.900 28.349 -0.449 1
1 144 . 6 1 1 A 24 24 CYS N N 24 120.600 120.684 -0.084 1
1 145 . 6 1 1 A 25 25 ILE H H 25 8.550 8.757 -0.207 1
1 146 . 6 1 1 A 25 25 ILE HA H 25 4.010 3.932 0.078 1
1 156 . 6 1 1 A 25 25 ILE C C 25 176.200 177.106 -0.906 1
1 157 . 6 1 1 A 25 25 ILE CA C 25 63.400 64.284 -0.884 1
1 158 . 6 1 1 A 25 25 ILE CB C 25 38.100 37.764 0.336 1
1 162 . 6 1 1 A 25 25 ILE N N 25 124.600 126.924 -2.324 1
1 163 . 6 1 1 A 26 26 GLN H H 26 8.860 8.115 0.745 1
1 164 . 6 1 1 A 26 26 GLN HA H 26 3.340 3.575 -0.235 1
1 171 . 6 1 1 A 26 26 GLN C C 26 176.800 178.559 -1.759 1
1 172 . 6 1 1 A 26 26 GLN CA C 26 60.200 59.256 0.944 1
1 173 . 6 1 1 A 26 26 GLN CB C 26 27.800 28.503 -0.703 1
1 175 . 6 1 1 A 26 26 GLN N N 26 121.900 121.233 0.667 1
1 177 . 6 1 1 A 27 27 LYS H H 27 7.340 7.631 -0.291 1
1 178 . 6 1 1 A 27 27 LYS HA H 27 4.070 4.151 -0.081 1
1 181 . 6 1 1 A 27 27 LYS C C 27 177.900 179.032 -1.132 1
1 182 . 6 1 1 A 27 27 LYS CA C 27 58.300 58.467 -0.167 1
1 183 . 6 1 1 A 27 27 LYS CB C 27 31.800 31.971 -0.171 1
1 187 . 6 1 1 A 27 27 LYS N N 27 117.700 118.459 -0.759 1
1 188 . 6 1 1 A 28 28 VAL H H 28 7.570 7.664 -0.094 1
1 189 . 6 1 1 A 28 28 VAL HA H 28 3.680 3.582 0.098 1
1 197 . 6 1 1 A 28 28 VAL C C 28 178.600 177.987 0.613 1
1 198 . 6 1 1 A 28 28 VAL CA C 28 66.400 66.167 0.233 1
1 199 . 6 1 1 A 28 28 VAL CB C 28 31.800 31.672 0.128 1
1 202 . 6 1 1 A 28 28 VAL N N 28 119.900 119.706 0.194 1
1 203 . 6 1 1 A 29 29 ILE H H 29 8.180 8.094 0.086 1
1 204 . 6 1 1 A 29 29 ILE HA H 29 3.290 3.396 -0.106 1
1 212 . 6 1 1 A 29 29 ILE C C 29 177.500 178.122 -0.622 1
1 213 . 6 1 1 A 29 29 ILE CA C 29 65.900 65.758 0.142 1
1 214 . 6 1 1 A 29 29 ILE CB C 29 37.600 37.857 -0.257 1
1 218 . 6 1 1 A 29 29 ILE N N 29 118.500 119.693 -1.193 1
1 219 . 6 1 1 A 30 30 GLU H H 30 8.370 8.590 -0.220 1
1 220 . 6 1 1 A 30 30 GLU HA H 30 3.610 3.832 -0.222 1
1 225 . 6 1 1 A 30 30 GLU C C 30 179.000 178.285 0.715 1
1 226 . 6 1 1 A 30 30 GLU CA C 30 60.400 60.009 0.391 1
1 227 . 6 1 1 A 30 30 GLU CB C 30 29.600 29.174 0.426 1
1 229 . 6 1 1 A 30 30 GLU N N 30 119.200 120.676 -1.476 1
1 230 . 6 1 1 A 31 31 ASP H H 31 8.710 8.577 0.133 1
1 231 . 6 1 1 A 31 31 ASP HA H 31 4.370 4.300 0.070 1
1 234 . 6 1 1 A 31 31 ASP CA C 31 57.600 57.475 0.125 1
1 235 . 6 1 1 A 31 31 ASP CB C 31 40.200 41.950 -1.750 1
1 236 . 6 1 1 A 31 31 ASP N N 31 125.100 120.176 4.924 1
1 237 . 6 1 1 A 32 32 LYS H H 32 8.430 7.493 0.937 1
1 238 . 6 1 1 A 32 32 LYS HA H 32 4.030 4.061 -0.031 1
1 243 . 6 1 1 A 32 32 LYS C C 32 180.300 179.562 0.738 1
1 244 . 6 1 1 A 32 32 LYS CA C 32 60.400 59.505 0.895 1
1 245 . 6 1 1 A 32 32 LYS CB C 32 33.100 32.254 0.846 1
1 248 . 6 1 1 A 32 32 LYS N N 32 120.700 118.116 2.584 1
1 249 . 6 1 1 A 33 33 LEU H H 33 8.580 7.675 0.905 1
1 250 . 6 1 1 A 33 33 LEU HA H 33 4.000 4.024 -0.024 1
1 260 . 6 1 1 A 33 33 LEU C C 33 179.200 178.772 0.428 1
1 261 . 6 1 1 A 33 33 LEU CA C 33 58.000 57.839 0.161 1
1 262 . 6 1 1 A 33 33 LEU CB C 33 42.500 41.098 1.402 1
1 266 . 6 1 1 A 33 33 LEU N N 33 117.200 118.727 -1.527 1
1 267 . 6 1 1 A 34 34 SER H H 34 8.670 8.139 0.531 1
1 268 . 6 1 1 A 34 34 SER HA H 34 4.100 4.180 -0.080 1
1 271 . 6 1 1 A 34 34 SER C C 34 176.900 177.179 -0.279 1
1 272 . 6 1 1 A 34 34 SER CA C 34 62.500 61.452 1.048 1
1 273 . 6 1 1 A 34 34 SER CB C 34 62.500 62.811 -0.311 1
1 274 . 6 1 1 A 34 34 SER N N 34 115.500 115.459 0.041 1
1 275 . 6 1 1 A 35 35 SER H H 35 8.080 8.116 -0.036 1
1 276 . 6 1 1 A 35 35 SER HA H 35 4.200 4.240 -0.040 1
1 279 . 6 1 1 A 35 35 SER C C 35 175.900 175.951 -0.051 1
1 280 . 6 1 1 A 35 35 SER CA C 35 60.900 61.416 -0.516 1
1 281 . 6 1 1 A 35 35 SER CB C 35 62.900 63.196 -0.296 1
1 282 . 6 1 1 A 35 35 SER N N 35 115.300 116.964 -1.664 1
1 283 . 6 1 1 A 36 36 ALA H H 36 7.570 7.685 -0.115 1
1 284 . 6 1 1 A 36 36 ALA HA H 36 4.340 4.172 0.168 1
1 288 . 6 1 1 A 36 36 ALA C C 36 179.200 179.815 -0.615 1
1 289 . 6 1 1 A 36 36 ALA CA C 36 54.300 54.653 -0.353 1
1 290 . 6 1 1 A 36 36 ALA CB C 36 20.900 18.986 1.914 1
1 291 . 6 1 1 A 36 36 ALA N N 36 119.000 123.593 -4.593 1
1 292 . 6 1 1 A 37 37 LEU H H 37 7.960 7.866 0.094 1
1 293 . 6 1 1 A 37 37 LEU HA H 37 4.530 4.300 0.230 1
1 303 . 6 1 1 A 37 37 LEU CA C 37 53.500 55.010 -1.510 1
1 304 . 6 1 1 A 37 37 LEU CB C 37 42.600 42.368 0.232 1
1 308 . 6 1 1 A 37 37 LEU N N 37 111.800 116.072 -4.272 1
1 309 . 6 1 1 A 38 38 LYS H H 38 7.600 7.885 -0.285 1
1 310 . 6 1 1 A 38 38 LYS HA H 38 4.250 4.450 -0.200 1
1 313 . 6 1 1 A 38 38 LYS CA C 38 56.200 57.188 -0.988 1
1 314 . 6 1 1 A 38 38 LYS CB C 38 30.800 31.032 -0.232 1
1 315 . 6 1 1 A 38 38 LYS N N 38 117.200 119.376 -2.176 1
1 316 . 6 1 1 A 39 39 PRO HA H 39 4.670 4.670 0.000 1
1 323 . 6 1 1 A 39 39 PRO C C 39 178.100 176.922 1.178 1
1 324 . 6 1 1 A 39 39 PRO CA C 39 63.300 62.067 1.233 1
1 325 . 6 1 1 A 39 39 PRO CB C 39 32.700 32.592 0.108 1
1 328 . 6 1 1 A 40 40 THR H H 40 8.500 8.634 -0.134 1
1 329 . 6 1 1 A 40 40 THR HA H 40 4.290 4.344 -0.054 1
1 334 . 6 1 1 A 40 40 THR C C 40 175.700 174.932 0.768 1
1 335 . 6 1 1 A 40 40 THR CA C 40 63.200 62.814 0.386 1
1 336 . 6 1 1 A 40 40 THR CB C 40 67.600 69.321 -1.721 1
1 338 . 6 1 1 A 40 40 THR N N 40 114.500 112.118 2.382 1
1 339 . 6 1 1 A 41 41 PHE H H 41 7.300 7.409 -0.109 1
1 340 . 6 1 1 A 41 41 PHE HA H 41 4.510 4.704 -0.194 1
1 347 . 6 1 1 A 41 41 PHE C C 41 171.500 172.986 -1.486 1
1 348 . 6 1 1 A 41 41 PHE CA C 41 58.800 56.810 1.990 1
1 349 . 6 1 1 A 41 41 PHE CB C 41 41.000 42.406 -1.406 1
1 354 . 6 1 1 A 41 41 PHE N N 41 121.100 121.449 -0.349 1
1 355 . 6 1 1 A 42 42 LEU H H 42 7.530 8.108 -0.578 1
1 356 . 6 1 1 A 42 42 LEU HA H 42 4.910 4.970 -0.060 1
1 366 . 6 1 1 A 42 42 LEU C C 42 173.700 173.477 0.223 1
1 367 . 6 1 1 A 42 42 LEU CA C 42 53.500 54.028 -0.528 1
1 368 . 6 1 1 A 42 42 LEU CB C 42 45.300 45.553 -0.253 1
1 372 . 6 1 1 A 42 42 LEU N N 42 129.100 127.638 1.462 1
1 373 . 6 1 1 A 43 43 GLU H H 43 8.690 8.843 -0.153 1
1 374 . 6 1 1 A 43 43 GLU HA H 43 4.400 4.943 -0.543 1
1 379 . 6 1 1 A 43 43 GLU C C 43 173.500 175.125 -1.625 1
1 380 . 6 1 1 A 43 43 GLU CA C 43 55.800 54.527 1.273 1
1 381 . 6 1 1 A 43 43 GLU CB C 43 34.100 33.087 1.013 1
1 383 . 6 1 1 A 43 43 GLU N N 43 126.900 127.564 -0.664 1
1 384 . 6 1 1 A 44 44 LEU H H 44 9.000 9.086 -0.086 1
1 385 . 6 1 1 A 44 44 LEU HA H 44 5.130 5.320 -0.190 1
1 395 . 6 1 1 A 44 44 LEU C C 44 175.100 175.713 -0.613 1
1 396 . 6 1 1 A 44 44 LEU CA C 44 53.700 53.301 0.399 1
1 397 . 6 1 1 A 44 44 LEU CB C 44 44.600 42.633 1.967 1
1 401 . 6 1 1 A 44 44 LEU N N 44 129.900 128.587 1.313 1
1 402 . 6 1 1 A 45 45 VAL H H 45 9.000 9.310 -0.310 1
1 403 . 6 1 1 A 45 45 VAL HA H 45 4.370 4.537 -0.167 1
1 411 . 6 1 1 A 45 45 VAL C C 45 175.100 175.115 -0.015 1
1 412 . 6 1 1 A 45 45 VAL CA C 45 61.200 60.942 0.258 1
1 413 . 6 1 1 A 45 45 VAL CB C 45 35.400 34.151 1.249 1
1 416 . 6 1 1 A 45 45 VAL N N 45 122.300 124.715 -2.415 1
1 417 . 6 1 1 A 46 46 ASP H H 46 9.080 8.543 0.537 1
1 418 . 6 1 1 A 46 46 ASP HA H 46 4.530 4.662 -0.132 1
1 421 . 6 1 1 A 46 46 ASP C C 46 176.900 177.373 -0.473 1
1 422 . 6 1 1 A 46 46 ASP CA C 46 53.900 54.537 -0.637 1
1 423 . 6 1 1 A 46 46 ASP CB C 46 40.600 42.130 -1.530 1
1 424 . 6 1 1 A 46 46 ASP N N 46 127.400 126.823 0.577 1
1 425 . 6 1 1 A 47 47 LYS H H 47 8.490 8.804 -0.314 1
1 426 . 6 1 1 A 47 47 LYS HA H 47 4.560 4.120 0.440 1
1 427 . 6 1 1 A 47 47 LYS CA C 47 54.200 57.880 -3.680 1
1 428 . 6 1 1 A 47 47 LYS CB C 47 30.400 33.265 -2.865 1
1 429 . 6 1 1 A 47 47 LYS N N 47 129.500 126.508 2.992 1
1 430 . 6 1 1 A 54 54 SER HA H 54 5.550 4.991 0.559 1
1 433 . 6 1 1 A 54 54 SER C C 54 172.900 172.829 0.071 1
1 434 . 6 1 1 A 54 54 SER CA C 54 57.300 56.632 0.668 1
1 435 . 6 1 1 A 54 54 SER CB C 54 65.800 65.768 0.032 1
1 436 . 6 1 1 A 55 55 PHE H H 55 8.340 9.069 -0.729 1
1 437 . 6 1 1 A 55 55 PHE HA H 55 5.700 5.052 0.648 1
1 442 . 6 1 1 A 55 55 PHE C C 55 174.400 173.604 0.796 1
1 443 . 6 1 1 A 55 55 PHE CA C 55 56.700 56.182 0.518 1
1 444 . 6 1 1 A 55 55 PHE CB C 55 45.300 43.910 1.390 1
1 447 . 6 1 1 A 55 55 PHE N N 55 119.600 120.394 -0.794 1
1 448 . 6 1 1 A 56 56 ASP H H 56 8.840 9.065 -0.225 1
1 449 . 6 1 1 A 56 56 ASP HA H 56 5.350 5.313 0.037 1
1 452 . 6 1 1 A 56 56 ASP C C 56 174.400 174.333 0.067 1
1 453 . 6 1 1 A 56 56 ASP CA C 56 52.900 52.625 0.275 1
1 454 . 6 1 1 A 56 56 ASP CB C 56 43.700 44.730 -1.030 1
1 455 . 6 1 1 A 56 56 ASP N N 56 121.500 121.787 -0.287 1
1 456 . 6 1 1 A 57 57 ALA H H 57 8.780 9.053 -0.273 1
1 457 . 6 1 1 A 57 57 ALA HA H 57 5.620 5.214 0.406 1
1 461 . 6 1 1 A 57 57 ALA C C 57 176.400 175.500 0.900 1
1 462 . 6 1 1 A 57 57 ALA CA C 57 50.200 50.577 -0.377 1
1 463 . 6 1 1 A 57 57 ALA CB C 57 23.600 21.821 1.779 1
1 464 . 6 1 1 A 57 57 ALA N N 57 125.000 127.768 -2.768 1
1 465 . 6 1 1 A 58 58 VAL H H 58 9.080 9.400 -0.320 1
1 466 . 6 1 1 A 58 58 VAL HA H 58 4.580 4.471 0.109 1
1 474 . 6 1 1 A 58 58 VAL C C 58 175.000 174.374 0.626 1
1 475 . 6 1 1 A 58 58 VAL CA C 58 62.800 62.245 0.555 1
1 476 . 6 1 1 A 58 58 VAL CB C 58 34.100 31.763 2.337 1
1 479 . 6 1 1 A 58 58 VAL N N 58 125.100 123.290 1.810 1
1 480 . 6 1 1 A 59 59 ILE H H 59 8.750 8.954 -0.204 1
1 481 . 6 1 1 A 59 59 ILE HA H 59 4.430 4.892 -0.462 1
1 489 . 6 1 1 A 59 59 ILE C C 59 173.900 173.747 0.153 1
1 490 . 6 1 1 A 59 59 ILE CA C 59 60.900 60.090 0.810 1
1 491 . 6 1 1 A 59 59 ILE CB C 59 41.100 40.383 0.717 1
1 495 . 6 1 1 A 59 59 ILE N N 59 125.000 129.500 -4.500 1
1 496 . 6 1 1 A 60 60 VAL H H 60 8.540 8.900 -0.360 1
1 497 . 6 1 1 A 60 60 VAL HA H 60 5.540 5.385 0.155 1
1 505 . 6 1 1 A 60 60 VAL C C 60 175.900 174.847 1.053 1
1 506 . 6 1 1 A 60 60 VAL CA C 60 60.200 61.014 -0.814 1
1 507 . 6 1 1 A 60 60 VAL CB C 60 31.800 32.745 -0.945 1
1 510 . 6 1 1 A 60 60 VAL N N 60 128.600 131.145 -2.545 1
1 511 . 6 1 1 A 61 61 SER H H 61 8.720 8.248 0.472 1
1 512 . 6 1 1 A 61 61 SER HA H 61 5.000 4.816 0.184 1
1 515 . 6 1 1 A 61 61 SER C C 61 175.700 174.497 1.203 1
1 516 . 6 1 1 A 61 61 SER CA C 61 56.500 56.712 -0.212 1
1 517 . 6 1 1 A 61 61 SER CB C 61 64.400 65.602 -1.202 1
1 518 . 6 1 1 A 61 61 SER N N 61 115.900 120.481 -4.581 1
1 519 . 6 1 1 A 62 62 ASN H H 62 9.650 9.207 0.443 1
1 520 . 6 1 1 A 62 62 ASN HA H 62 4.670 4.533 0.137 1
1 525 . 6 1 1 A 62 62 ASN CA C 62 56.500 55.717 0.783 1
1 526 . 6 1 1 A 62 62 ASN CB C 62 38.600 38.128 0.472 1
1 528 . 6 1 1 A 62 62 ASN N N 62 129.400 120.785 8.615 1
1 530 . 6 1 1 A 63 63 ASN H H 63 8.920 8.318 0.602 1
1 531 . 6 1 1 A 63 63 ASN HA H 63 4.490 4.526 -0.036 1
1 536 . 6 1 1 A 63 63 ASN C C 63 175.200 177.398 -2.198 1
1 537 . 6 1 1 A 63 63 ASN CA C 63 55.700 55.837 -0.137 1
1 538 . 6 1 1 A 63 63 ASN CB C 63 37.600 38.856 -1.256 1
1 539 . 6 1 1 A 63 63 ASN N N 63 119.500 117.647 1.853 1
1 541 . 6 1 1 A 64 64 PHE H H 64 6.950 7.612 -0.662 1
1 542 . 6 1 1 A 64 64 PHE HA H 64 4.690 4.432 0.258 1
1 545 . 6 1 1 A 64 64 PHE C C 64 174.200 176.724 -2.524 1
1 546 . 6 1 1 A 64 64 PHE CA C 64 54.900 59.853 -4.953 1
1 547 . 6 1 1 A 64 64 PHE CB C 64 37.500 39.726 -2.226 1
1 548 . 6 1 1 A 64 64 PHE N N 64 113.700 120.157 -6.457 1
1 549 . 6 1 1 A 65 65 GLU H H 65 7.470 8.918 -1.448 1
1 550 . 6 1 1 A 65 65 GLU HA H 65 4.010 4.075 -0.065 1
1 555 . 6 1 1 A 65 65 GLU C C 65 174.800 177.651 -2.851 1
1 556 . 6 1 1 A 65 65 GLU CA C 65 58.400 58.227 0.173 1
1 557 . 6 1 1 A 65 65 GLU CB C 65 29.700 27.814 1.886 1
1 559 . 6 1 1 A 65 65 GLU N N 65 120.500 117.729 2.771 1
1 560 . 6 1 1 A 66 66 ASP H H 66 9.010 7.686 1.324 1
1 561 . 6 1 1 A 66 66 ASP HA H 66 4.390 4.669 -0.279 1
1 564 . 6 1 1 A 66 66 ASP C C 66 175.000 175.500 -0.500 1
1 565 . 6 1 1 A 66 66 ASP CA C 66 55.800 53.721 2.079 1
1 566 . 6 1 1 A 66 66 ASP CB C 66 39.800 41.023 -1.223 1
1 567 . 6 1 1 A 66 66 ASP N N 66 119.200 121.108 -1.908 1
1 568 . 6 1 1 A 67 67 LYS H H 67 7.800 7.341 0.459 1
1 569 . 6 1 1 A 67 67 LYS C C 67 177.400 175.334 2.066 1
1 570 . 6 1 1 A 67 67 LYS CA C 67 54.700 57.093 -2.393 1
1 571 . 6 1 1 A 67 67 LYS CB C 67 38.400 28.774 9.626 1
1 575 . 6 1 1 A 67 67 LYS N N 67 117.200 115.757 1.443 1
1 576 . 6 1 1 A 68 68 LYS H H 68 9.340 8.022 1.318 1
1 577 . 6 1 1 A 68 68 LYS HA H 68 4.400 4.440 -0.040 1
1 586 . 6 1 1 A 68 68 LYS C C 68 177.500 176.507 0.993 1
1 587 . 6 1 1 A 68 68 LYS CA C 68 55.900 54.941 0.959 1
1 588 . 6 1 1 A 68 68 LYS CB C 68 32.700 30.949 1.751 1
1 592 . 6 1 1 A 68 68 LYS N N 68 125.800 119.674 6.126 1
1 593 . 6 1 1 A 69 69 LEU H H 69 8.710 8.078 0.632 1
1 594 . 6 1 1 A 69 69 LEU HA H 69 3.630 4.290 -0.660 1
1 603 . 6 1 1 A 69 69 LEU C C 69 178.400 178.301 0.099 1
1 604 . 6 1 1 A 69 69 LEU CA C 69 60.300 58.173 2.127 1
1 605 . 6 1 1 A 69 69 LEU CB C 69 41.600 41.575 0.025 1
1 608 . 6 1 1 A 69 69 LEU N N 69 124.300 126.713 -2.413 1
1 609 . 6 1 1 A 70 70 LEU H H 70 8.700 8.009 0.691 1
1 610 . 6 1 1 A 70 70 LEU HA H 70 3.930 4.053 -0.123 1
1 620 . 6 1 1 A 70 70 LEU C C 70 179.400 178.588 0.812 1
1 621 . 6 1 1 A 70 70 LEU CA C 70 58.200 58.205 -0.005 1
1 622 . 6 1 1 A 70 70 LEU CB C 70 41.700 41.150 0.550 1
1 626 . 6 1 1 A 70 70 LEU N N 70 116.100 117.596 -1.496 1
1 627 . 6 1 1 A 71 71 ASP H H 71 7.130 8.460 -1.330 1
1 628 . 6 1 1 A 71 71 ASP HA H 71 4.660 4.318 0.342 1
1 631 . 6 1 1 A 71 71 ASP C C 71 179.000 178.045 0.955 1
1 632 . 6 1 1 A 71 71 ASP CA C 71 57.100 57.809 -0.709 1
1 633 . 6 1 1 A 71 71 ASP CB C 71 40.800 41.560 -0.760 1
1 634 . 6 1 1 A 71 71 ASP N N 71 117.600 119.443 -1.843 1
1 635 . 6 1 1 A 72 72 ARG H H 72 8.190 7.851 0.339 1
1 636 . 6 1 1 A 72 72 ARG HA H 72 3.930 3.946 -0.016 1
1 637 . 6 1 1 A 72 72 ARG C C 72 177.000 178.434 -1.434 1
1 638 . 6 1 1 A 72 72 ARG CA C 72 60.100 59.245 0.855 1
1 639 . 6 1 1 A 72 72 ARG CB C 72 29.300 29.918 -0.618 1
1 642 . 6 1 1 A 72 72 ARG N N 72 122.200 119.796 2.404 1
1 643 . 6 1 1 A 73 73 HIS H H 73 8.030 8.505 -0.475 1
1 644 . 6 1 1 A 73 73 HIS HA H 73 4.100 4.254 -0.154 1
1 648 . 6 1 1 A 73 73 HIS C C 73 177.300 177.468 -0.168 1
1 649 . 6 1 1 A 73 73 HIS CA C 73 58.100 59.968 -1.868 1
1 650 . 6 1 1 A 73 73 HIS CB C 73 30.200 29.481 0.719 1
1 652 . 6 1 1 A 73 73 HIS N N 73 116.800 119.017 -2.217 1
1 653 . 6 1 1 A 74 74 ARG H H 74 8.290 8.435 -0.145 1
1 654 . 6 1 1 A 74 74 ARG HA H 74 4.080 3.914 0.166 1
1 661 . 6 1 1 A 74 74 ARG C C 74 178.700 178.808 -0.108 1
1 662 . 6 1 1 A 74 74 ARG CA C 74 59.700 58.976 0.724 1
1 663 . 6 1 1 A 74 74 ARG CB C 74 30.400 29.793 0.607 1
1 666 . 6 1 1 A 74 74 ARG N N 74 118.200 118.615 -0.415 1
1 667 . 6 1 1 A 75 75 LEU H H 75 7.740 8.419 -0.679 1
1 668 . 6 1 1 A 75 75 LEU HA H 75 4.270 4.039 0.231 1
1 678 . 6 1 1 A 75 75 LEU CA C 75 58.300 58.178 0.122 1
1 679 . 6 1 1 A 75 75 LEU CB C 75 42.000 42.007 -0.007 1
1 683 . 6 1 1 A 75 75 LEU N N 75 121.200 121.390 -0.190 1
1 684 . 6 1 1 A 76 76 VAL H H 76 7.590 7.998 -0.408 1
1 685 . 6 1 1 A 76 76 VAL HA H 76 3.360 3.447 -0.087 1
1 693 . 6 1 1 A 76 76 VAL C C 76 176.800 177.049 -0.249 1
1 694 . 6 1 1 A 76 76 VAL CA C 76 67.500 66.856 0.644 1
1 695 . 6 1 1 A 76 76 VAL CB C 76 31.500 31.200 0.300 1
1 698 . 6 1 1 A 76 76 VAL N N 76 119.300 117.731 1.569 1
1 699 . 6 1 1 A 77 77 ASN H H 77 8.690 7.958 0.732 1
1 700 . 6 1 1 A 77 77 ASN HA H 77 4.190 4.434 -0.244 1
1 705 . 6 1 1 A 77 77 ASN C C 77 178.000 178.267 -0.267 1
1 706 . 6 1 1 A 77 77 ASN CA C 77 55.400 56.314 -0.914 1
1 707 . 6 1 1 A 77 77 ASN CB C 77 37.600 37.721 -0.121 1
1 708 . 6 1 1 A 77 77 ASN N N 77 117.100 118.583 -1.483 1
1 710 . 6 1 1 A 78 78 THR H H 78 8.050 7.910 0.140 1
1 711 . 6 1 1 A 78 78 THR HA H 78 3.970 3.914 0.056 1
1 716 . 6 1 1 A 78 78 THR C C 78 176.900 176.096 0.804 1
1 717 . 6 1 1 A 78 78 THR CA C 78 66.700 67.204 -0.504 1
1 718 . 6 1 1 A 78 78 THR CB C 78 68.800 68.848 -0.048 1
1 720 . 6 1 1 A 78 78 THR N N 78 116.300 116.901 -0.601 1
1 721 . 6 1 1 A 79 79 ILE H H 79 8.020 7.652 0.368 1
1 722 . 6 1 1 A 79 79 ILE HA H 79 3.670 3.869 -0.199 1
1 730 . 6 1 1 A 79 79 ILE CA C 79 65.000 64.088 0.912 1
1 731 . 6 1 1 A 79 79 ILE CB C 79 38.500 38.002 0.498 1
1 734 . 6 1 1 A 79 79 ILE N N 79 124.800 119.949 4.851 1
1 735 . 6 1 1 A 80 80 LEU H H 80 7.770 8.111 -0.341 1
1 745 . 6 1 1 A 80 80 LEU C C 80 176.000 178.632 -2.632 1
1 746 . 6 1 1 A 80 80 LEU CA C 80 52.900 55.356 -2.456 1
1 747 . 6 1 1 A 80 80 LEU CB C 80 41.100 41.483 -0.383 1
1 751 . 6 1 1 A 80 80 LEU N N 80 115.200 119.573 -4.373 1
1 752 . 6 1 1 A 81 81 LYS H H 81 6.880 7.627 -0.747 1
1 753 . 6 1 1 A 81 81 LYS HA H 81 3.820 3.864 -0.044 1
1 762 . 6 1 1 A 81 81 LYS C C 81 178.400 179.184 -0.784 1
1 763 . 6 1 1 A 81 81 LYS CA C 81 60.700 59.734 0.966 1
1 764 . 6 1 1 A 81 81 LYS CB C 81 32.800 32.471 0.329 1
1 768 . 6 1 1 A 81 81 LYS N N 81 120.300 121.276 -0.976 1
1 769 . 6 1 1 A 82 82 GLU H H 82 8.620 8.001 0.619 1
1 770 . 6 1 1 A 82 82 GLU HA H 82 4.020 4.059 -0.039 1
1 773 . 6 1 1 A 82 82 GLU C C 82 178.500 178.635 -0.135 1
1 774 . 6 1 1 A 82 82 GLU CA C 82 59.000 59.218 -0.218 1
1 775 . 6 1 1 A 82 82 GLU CB C 82 28.700 28.871 -0.171 1
1 777 . 6 1 1 A 82 82 GLU N N 82 116.700 118.822 -2.122 1
1 778 . 6 1 1 A 83 83 GLU H H 83 8.070 7.745 0.325 1
1 779 . 6 1 1 A 83 83 GLU HA H 83 3.980 3.970 0.010 1
1 784 . 6 1 1 A 83 83 GLU C C 83 179.300 178.883 0.417 1
1 785 . 6 1 1 A 83 83 GLU CA C 83 60.900 59.219 1.681 1
1 786 . 6 1 1 A 83 83 GLU CB C 83 28.900 29.077 -0.177 1
1 788 . 6 1 1 A 83 83 GLU N N 83 120.300 119.791 0.509 1
1 789 . 6 1 1 A 84 84 LEU H H 84 8.480 8.437 0.043 1
1 790 . 6 1 1 A 84 84 LEU HA H 84 3.910 3.939 -0.029 1
1 800 . 6 1 1 A 84 84 LEU C C 84 178.200 179.586 -1.386 1
1 801 . 6 1 1 A 84 84 LEU CA C 84 57.000 58.073 -1.073 1
1 802 . 6 1 1 A 84 84 LEU CB C 84 40.800 41.303 -0.503 1
1 806 . 6 1 1 A 84 84 LEU N N 84 116.700 120.123 -3.423 1
1 807 . 6 1 1 A 85 85 GLN H H 85 7.130 7.963 -0.833 1
1 808 . 6 1 1 A 85 85 GLN HA H 85 4.140 4.038 0.102 1
1 815 . 6 1 1 A 85 85 GLN C C 85 176.300 177.373 -1.073 1
1 816 . 6 1 1 A 85 85 GLN CA C 85 57.900 58.868 -0.968 1
1 817 . 6 1 1 A 85 85 GLN CB C 85 28.900 28.418 0.482 1
1 819 . 6 1 1 A 85 85 GLN N N 85 115.400 117.162 -1.762 1
1 821 . 6 1 1 A 86 86 ASN H H 86 7.630 7.897 -0.267 1
1 822 . 6 1 1 A 86 86 ASN HA H 86 5.020 4.883 0.137 1
1 827 . 6 1 1 A 86 86 ASN C C 86 174.100 173.694 0.406 1
1 828 . 6 1 1 A 86 86 ASN CA C 86 52.800 53.379 -0.579 1
1 829 . 6 1 1 A 86 86 ASN CB C 86 40.400 39.198 1.202 1
1 830 . 6 1 1 A 86 86 ASN N N 86 114.000 115.412 -1.412 1
1 832 . 6 1 1 A 87 87 ILE H H 87 7.300 7.966 -0.666 1
1 833 . 6 1 1 A 87 87 ILE HA H 87 4.320 4.622 -0.302 1
1 843 . 6 1 1 A 87 87 ILE C C 87 174.500 175.915 -1.415 1
1 844 . 6 1 1 A 87 87 ILE CA C 87 60.400 60.040 0.360 1
1 845 . 6 1 1 A 87 87 ILE CB C 87 40.600 41.323 -0.723 1
1 849 . 6 1 1 A 87 87 ILE N N 87 119.300 120.038 -0.738 1
1 850 . 6 1 1 A 88 88 HIS H H 88 9.140 9.228 -0.088 1
1 851 . 6 1 1 A 88 88 HIS HA H 88 4.680 4.374 0.306 1
1 855 . 6 1 1 A 88 88 HIS CA C 88 57.300 58.664 -1.364 1
1 856 . 6 1 1 A 88 88 HIS CB C 88 30.200 30.567 -0.367 1
1 858 . 6 1 1 A 88 88 HIS N N 88 125.000 127.121 -2.121 1
1 859 . 6 1 1 A 89 89 ALA H H 89 7.600 7.744 -0.144 1
1 860 . 6 1 1 A 89 89 ALA HA H 89 4.620 4.449 0.171 1
1 864 . 6 1 1 A 89 89 ALA C C 89 174.300 175.746 -1.446 1
1 865 . 6 1 1 A 89 89 ALA CA C 89 52.300 51.834 0.466 1
1 866 . 6 1 1 A 89 89 ALA CB C 89 21.300 20.231 1.069 1
1 867 . 6 1 1 A 89 89 ALA N N 89 120.100 119.018 1.082 1
1 868 . 6 1 1 A 90 90 PHE H H 90 8.830 9.264 -0.434 1
1 869 . 6 1 1 A 90 90 PHE HA H 90 5.220 5.249 -0.029 1
1 877 . 6 1 1 A 90 90 PHE C C 90 173.700 174.111 -0.411 1
1 878 . 6 1 1 A 90 90 PHE CA C 90 57.200 57.888 -0.688 1
1 879 . 6 1 1 A 90 90 PHE CB C 90 42.000 41.510 0.490 1
1 885 . 6 1 1 A 90 90 PHE N N 90 126.100 127.040 -0.940 1
1 886 . 6 1 1 A 91 91 SER H H 91 8.320 7.933 0.387 1
1 887 . 6 1 1 A 91 91 SER HA H 91 4.730 5.292 -0.562 1
1 891 . 6 1 1 A 91 91 SER C C 91 172.600 173.020 -0.420 1
1 892 . 6 1 1 A 91 91 SER CA C 91 56.500 56.929 -0.429 1
1 893 . 6 1 1 A 91 91 SER CB C 91 64.100 65.853 -1.753 1
1 894 . 6 1 1 A 91 91 SER N N 91 123.100 122.983 0.117 1
1 895 . 6 1 1 A 92 92 MET H H 92 8.660 9.268 -0.608 1
1 896 . 6 1 1 A 92 92 MET HA H 92 5.490 5.481 0.009 1
1 901 . 6 1 1 A 92 92 MET C C 92 174.300 173.915 0.385 1
1 902 . 6 1 1 A 92 92 MET CA C 92 53.600 53.239 0.361 1
1 903 . 6 1 1 A 92 92 MET CB C 92 37.500 35.045 2.455 1
1 906 . 6 1 1 A 92 92 MET N N 92 119.600 122.411 -2.811 1
1 907 . 6 1 1 A 93 93 LYS H H 93 8.190 9.221 -1.031 1
1 908 . 6 1 1 A 93 93 LYS HA H 93 4.450 4.930 -0.480 1
1 917 . 6 1 1 A 93 93 LYS C C 93 174.400 174.822 -0.422 1
1 918 . 6 1 1 A 93 93 LYS CA C 93 55.400 54.783 0.617 1
1 919 . 6 1 1 A 93 93 LYS CB C 93 34.700 35.028 -0.328 1
1 923 . 6 1 1 A 93 93 LYS N N 93 122.700 122.658 0.042 1
1 924 . 6 1 1 A 94 94 CYS H H 94 8.340 8.704 -0.364 1
1 925 . 6 1 1 A 94 94 CYS HA H 94 4.960 5.158 -0.198 1
1 928 . 6 1 1 A 94 94 CYS C C 94 173.600 174.570 -0.970 1
1 929 . 6 1 1 A 94 94 CYS CA C 94 56.600 57.523 -0.923 1
1 930 . 6 1 1 A 94 94 CYS CB C 94 29.800 28.302 1.498 1
1 931 . 6 1 1 A 94 94 CYS N N 94 120.300 126.628 -6.328 1
1 932 . 6 1 1 A 95 95 HIS H H 95 9.040 9.319 -0.279 1
1 933 . 6 1 1 A 95 95 HIS HA H 95 5.440 5.089 0.351 1
1 936 . 6 1 1 A 95 95 HIS C C 95 175.700 174.903 0.797 1
1 937 . 6 1 1 A 95 95 HIS CA C 95 53.600 54.942 -1.342 1
1 938 . 6 1 1 A 95 95 HIS CB C 95 35.300 33.472 1.828 1
1 939 . 6 1 1 A 95 95 HIS N N 95 122.000 119.578 2.422 1
1 940 . 6 1 1 A 96 96 THR H H 96 8.910 8.793 0.117 1
1 941 . 6 1 1 A 96 96 THR HA H 96 5.150 4.965 0.185 1
1 945 . 6 1 1 A 96 96 THR CA C 96 60.100 59.927 0.173 1
1 946 . 6 1 1 A 96 96 THR CB C 96 67.600 69.373 -1.773 1
1 948 . 6 1 1 A 96 96 THR N N 96 113.600 114.637 -1.037 1
1 949 . 6 1 1 A 97 97 PRO HA H 97 4.060 4.320 -0.260 1
1 956 . 6 1 1 A 97 97 PRO C C 97 178.600 179.070 -0.470 1
1 957 . 6 1 1 A 97 97 PRO CA C 97 66.600 66.061 0.539 1
1 958 . 6 1 1 A 97 97 PRO CB C 97 31.600 31.258 0.342 1
1 961 . 6 1 1 A 98 98 LEU H H 98 8.410 7.607 0.803 1
1 962 . 6 1 1 A 98 98 LEU HA H 98 4.230 4.040 0.190 1
1 971 . 6 1 1 A 98 98 LEU C C 98 179.800 179.298 0.502 1
1 972 . 6 1 1 A 98 98 LEU CA C 98 58.200 57.712 0.488 1
1 973 . 6 1 1 A 98 98 LEU CB C 98 42.000 41.484 0.516 1
1 976 . 6 1 1 A 98 98 LEU N N 98 118.300 116.931 1.369 1
1 977 . 6 1 1 A 99 99 GLU H H 99 7.660 8.345 -0.685 1
1 978 . 6 1 1 A 99 99 GLU HA H 99 3.900 4.085 -0.185 1
1 983 . 6 1 1 A 99 99 GLU C C 99 180.200 178.790 1.410 1
1 984 . 6 1 1 A 99 99 GLU CA C 99 58.400 59.566 -1.166 1
1 985 . 6 1 1 A 99 99 GLU CB C 99 30.400 29.541 0.859 1
1 987 . 6 1 1 A 99 99 GLU N N 99 118.100 117.798 0.302 1
1 988 . 6 1 1 A 100 100 TYR H H 100 8.770 8.730 0.040 1
1 989 . 6 1 1 A 100 100 TYR HA H 100 3.860 4.035 -0.175 1
1 996 . 6 1 1 A 100 100 TYR C C 100 176.800 177.255 -0.455 1
1 997 . 6 1 1 A 100 100 TYR CA C 100 60.800 61.130 -0.330 1
1 998 . 6 1 1 A 100 100 TYR CB C 100 39.200 38.566 0.634 1
1 1003 . 6 1 1 A 100 100 TYR N N 100 120.100 122.823 -2.723 1
1 1004 . 6 1 1 A 101 101 ASP H H 101 8.100 8.358 -0.258 1
1 1005 . 6 1 1 A 101 101 ASP HA H 101 4.180 4.121 0.059 1
1 1008 . 6 1 1 A 101 101 ASP C C 101 178.700 178.072 0.628 1
1 1009 . 6 1 1 A 101 101 ASP CA C 101 57.300 57.599 -0.299 1
1 1010 . 6 1 1 A 101 101 ASP CB C 101 40.800 41.818 -1.018 1
1 1011 . 6 1 1 A 101 101 ASP N N 101 118.400 119.222 -0.822 1
1 1012 . 6 1 1 A 102 102 LYS H H 102 7.480 7.603 -0.123 1
1 1013 . 6 1 1 A 102 102 LYS HA H 102 4.070 3.969 0.101 1
1 1020 . 6 1 1 A 102 102 LYS CA C 102 58.300 59.274 -0.974 1
1 1021 . 6 1 1 A 102 102 LYS CB C 102 32.300 32.248 0.052 1
1 1024 . 6 1 1 A 102 102 LYS N N 102 117.500 118.546 -1.046 1
1 1025 . 6 1 1 A 103 103 LEU H H 103 7.580 7.747 -0.167 1
1 1026 . 6 1 1 A 103 103 LEU HA H 103 4.050 4.038 0.012 1
1 1036 . 6 1 1 A 103 103 LEU C C 103 178.700 178.740 -0.040 1
1 1037 . 6 1 1 A 103 103 LEU CA C 103 56.800 57.036 -0.236 1
1 1038 . 6 1 1 A 103 103 LEU CB C 103 42.000 41.574 0.426 1
1 1042 . 6 1 1 A 103 103 LEU N N 103 120.100 119.970 0.130 1
1 1043 . 6 1 1 A 104 104 LYS H H 104 7.730 7.601 0.129 1
1 1044 . 6 1 1 A 104 104 LYS HA H 104 3.960 3.885 0.075 1
1 1053 . 6 1 1 A 104 104 LYS CA C 104 56.700 58.633 -1.933 1
1 1054 . 6 1 1 A 104 104 LYS CB C 104 31.700 32.216 -0.516 1
1 1058 . 6 1 1 A 104 104 LYS N N 104 118.500 118.945 -0.445 1
1 1059 . 6 1 1 A 105 105 SER H H 105 7.790 8.119 -0.329 1
1 1060 . 6 1 1 A 105 105 SER HA H 105 4.330 4.290 0.040 1
1 1063 . 6 1 1 A 105 105 SER C C 105 174.700 175.012 -0.312 1
1 1064 . 6 1 1 A 105 105 SER CA C 105 58.900 61.115 -2.215 1
1 1065 . 6 1 1 A 105 105 SER CB C 105 63.500 63.514 -0.014 1
1 1066 . 6 1 1 A 105 105 SER N N 105 114.900 115.422 -0.522 1
1 1067 . 6 1 1 A 106 106 LYS H H 106 8.000 7.446 0.554 1
1 1068 . 6 1 1 A 106 106 LYS HA H 106 4.300 4.449 -0.149 1
1 1077 . 6 1 1 A 106 106 LYS C C 106 177.000 176.080 0.920 1
1 1078 . 6 1 1 A 106 106 LYS CA C 106 56.600 55.127 1.473 1
1 1079 . 6 1 1 A 106 106 LYS CB C 106 32.800 33.284 -0.484 1
1 1081 . 6 1 1 A 106 106 LYS N N 106 122.400 114.600 7.800 1
1 1082 . 6 1 1 A 107 107 GLY H H 107 8.310 8.288 0.022 1
1 1083 . 6 1 1 A 107 107 GLY HA2 H 107 3.990 4.103 -0.113 1
1 1084 . 6 1 1 A 107 107 GLY HA3 H 107 3.990 4.109 -0.119 1
1 1085 . 6 1 1 A 107 107 GLY CA C 107 45.300 45.344 -0.044 1
1 1086 . 6 1 1 A 107 107 GLY N N 107 110.000 108.144 1.856 1
1 1 . 7 1 1 A 11 11 SER HA H 11 4.510 4.314 0.196 1
1 4 . 7 1 1 A 11 11 SER C C 11 174.600 174.217 0.383 1
1 5 . 7 1 1 A 11 11 SER CA C 11 58.400 59.940 -1.540 1
1 6 . 7 1 1 A 11 11 SER CB C 11 63.800 63.685 0.115 1
1 7 . 7 1 1 A 12 12 SER H H 12 8.630 8.803 -0.173 1
1 8 . 7 1 1 A 12 12 SER HA H 12 4.500 4.781 -0.281 1
1 11 . 7 1 1 A 12 12 SER C C 12 175.000 174.730 0.270 1
1 12 . 7 1 1 A 12 12 SER CA C 12 58.600 58.221 0.379 1
1 13 . 7 1 1 A 12 12 SER CB C 12 63.900 62.093 1.807 1
1 14 . 7 1 1 A 12 12 SER N N 12 118.300 121.772 -3.472 1
1 15 . 7 1 1 A 13 13 GLY H H 13 8.560 7.887 0.673 1
1 16 . 7 1 1 A 13 13 GLY HA2 H 13 4.050 4.120 -0.070 1
1 17 . 7 1 1 A 13 13 GLY HA3 H 13 4.050 4.132 -0.082 1
1 18 . 7 1 1 A 13 13 GLY C C 13 174.300 174.476 -0.176 1
1 19 . 7 1 1 A 13 13 GLY CA C 13 45.400 46.193 -0.793 1
1 20 . 7 1 1 A 13 13 GLY N N 13 111.000 112.509 -1.509 1
1 21 . 7 1 1 A 14 14 ARG H H 14 8.260 8.566 -0.306 1
1 22 . 7 1 1 A 14 14 ARG HA H 14 4.320 4.170 0.150 1
1 29 . 7 1 1 A 14 14 ARG C C 14 176.400 176.594 -0.194 1
1 30 . 7 1 1 A 14 14 ARG CA C 14 56.300 58.693 -2.393 1
1 31 . 7 1 1 A 14 14 ARG CB C 14 30.600 29.923 0.677 1
1 34 . 7 1 1 A 14 14 ARG N N 14 120.400 123.061 -2.661 1
1 35 . 7 1 1 A 15 15 GLU H H 15 8.660 7.937 0.723 1
1 36 . 7 1 1 A 15 15 GLU HA H 15 4.210 4.826 -0.616 1
1 41 . 7 1 1 A 15 15 GLU C C 15 176.200 177.108 -0.908 1
1 42 . 7 1 1 A 15 15 GLU CA C 15 57.200 55.345 1.855 1
1 43 . 7 1 1 A 15 15 GLU CB C 15 29.700 29.815 -0.115 1
1 45 . 7 1 1 A 15 15 GLU N N 15 121.100 116.622 4.478 1
1 46 . 7 1 1 A 16 16 ASN H H 16 8.420 7.758 0.662 1
1 47 . 7 1 1 A 16 16 ASN HA H 16 4.680 4.828 -0.148 1
1 52 . 7 1 1 A 16 16 ASN C C 16 175.100 175.845 -0.745 1
1 53 . 7 1 1 A 16 16 ASN CA C 16 53.300 53.950 -0.650 1
1 54 . 7 1 1 A 16 16 ASN CB C 16 38.700 39.011 -0.311 1
1 55 . 7 1 1 A 16 16 ASN N N 16 118.900 118.597 0.303 1
1 57 . 7 1 1 A 17 17 LEU H H 17 8.110 7.689 0.421 1
1 58 . 7 1 1 A 17 17 LEU HA H 17 4.210 4.277 -0.067 1
1 68 . 7 1 1 A 17 17 LEU C C 17 177.000 176.671 0.329 1
1 69 . 7 1 1 A 17 17 LEU CA C 17 55.600 54.450 1.150 1
1 70 . 7 1 1 A 17 17 LEU CB C 17 42.200 41.333 0.867 1
1 74 . 7 1 1 A 17 17 LEU N N 17 121.900 117.123 4.777 1
1 75 . 7 1 1 A 18 18 TYR H H 18 8.070 7.471 0.599 1
1 76 . 7 1 1 A 18 18 TYR HA H 18 4.530 4.563 -0.033 1
1 83 . 7 1 1 A 18 18 TYR C C 18 175.700 177.069 -1.369 1
1 84 . 7 1 1 A 18 18 TYR CA C 18 58.000 57.966 0.034 1
1 85 . 7 1 1 A 18 18 TYR CB C 18 38.700 39.359 -0.659 1
1 90 . 7 1 1 A 18 18 TYR N N 18 119.500 120.096 -0.596 1
1 91 . 7 1 1 A 19 19 PHE H H 19 8.120 8.620 -0.500 1
1 92 . 7 1 1 A 19 19 PHE HA H 19 4.560 4.448 0.112 1
1 99 . 7 1 1 A 19 19 PHE C C 19 175.500 177.169 -1.669 1
1 100 . 7 1 1 A 19 19 PHE CA C 19 57.900 59.350 -1.450 1
1 101 . 7 1 1 A 19 19 PHE CB C 19 39.500 37.797 1.703 1
1 106 . 7 1 1 A 19 19 PHE N N 19 121.200 121.127 0.073 1
1 107 . 7 1 1 A 20 20 GLN H H 20 8.300 8.456 -0.156 1
1 108 . 7 1 1 A 20 20 GLN HA H 20 4.200 4.296 -0.096 1
1 115 . 7 1 1 A 20 20 GLN C C 20 176.000 176.358 -0.358 1
1 116 . 7 1 1 A 20 20 GLN CA C 20 56.100 57.105 -1.005 1
1 117 . 7 1 1 A 20 20 GLN CB C 20 29.100 27.501 1.599 1
1 119 . 7 1 1 A 20 20 GLN N N 20 121.700 119.283 2.417 1
1 121 . 7 1 1 A 21 21 GLY H H 21 7.970 7.843 0.127 1
1 122 . 7 1 1 A 21 21 GLY HA2 H 21 3.940 3.923 0.017 1
1 123 . 7 1 1 A 21 21 GLY HA3 H 21 3.830 3.961 -0.131 1
1 124 . 7 1 1 A 21 21 GLY CA C 21 45.400 46.961 -1.561 1
1 125 . 7 1 1 A 21 21 GLY N N 21 108.500 107.590 0.910 1
1 126 . 7 1 1 A 22 22 HIS H H 22 8.280 8.285 -0.005 1
1 127 . 7 1 1 A 22 22 HIS C C 22 174.000 174.855 -0.855 1
1 128 . 7 1 1 A 22 22 HIS CA C 22 56.000 55.289 0.711 1
1 129 . 7 1 1 A 22 22 HIS CB C 22 29.900 31.645 -1.745 1
1 130 . 7 1 1 A 22 22 HIS N N 22 118.700 123.096 -4.396 1
1 134 . 7 1 1 A 23 23 MET C C 23 175.900 175.522 0.378 1
1 135 . 7 1 1 A 23 23 MET CB C 23 32.700 32.868 -0.168 1
1 137 . 7 1 1 A 24 24 CYS H H 24 8.390 8.614 -0.224 1
1 138 . 7 1 1 A 24 24 CYS HA H 24 4.620 4.935 -0.315 1
1 141 . 7 1 1 A 24 24 CYS C C 24 175.400 174.471 0.929 1
1 142 . 7 1 1 A 24 24 CYS CA C 24 58.000 58.051 -0.051 1
1 143 . 7 1 1 A 24 24 CYS CB C 24 27.900 30.801 -2.901 1
1 144 . 7 1 1 A 24 24 CYS N N 24 120.600 120.444 0.156 1
1 145 . 7 1 1 A 25 25 ILE H H 25 8.550 8.609 -0.059 1
1 146 . 7 1 1 A 25 25 ILE HA H 25 4.010 3.921 0.089 1
1 156 . 7 1 1 A 25 25 ILE C C 25 176.200 176.961 -0.761 1
1 157 . 7 1 1 A 25 25 ILE CA C 25 63.400 64.507 -1.107 1
1 158 . 7 1 1 A 25 25 ILE CB C 25 38.100 37.694 0.406 1
1 162 . 7 1 1 A 25 25 ILE N N 25 124.600 125.842 -1.242 1
1 163 . 7 1 1 A 26 26 GLN H H 26 8.860 8.245 0.615 1
1 164 . 7 1 1 A 26 26 GLN HA H 26 3.340 3.592 -0.252 1
1 171 . 7 1 1 A 26 26 GLN C C 26 176.800 177.950 -1.150 1
1 172 . 7 1 1 A 26 26 GLN CA C 26 60.200 59.004 1.196 1
1 173 . 7 1 1 A 26 26 GLN CB C 26 27.800 28.068 -0.268 1
1 175 . 7 1 1 A 26 26 GLN N N 26 121.900 120.834 1.066 1
1 177 . 7 1 1 A 27 27 LYS H H 27 7.340 7.694 -0.354 1
1 178 . 7 1 1 A 27 27 LYS HA H 27 4.070 4.124 -0.054 1
1 181 . 7 1 1 A 27 27 LYS C C 27 177.900 178.731 -0.831 1
1 182 . 7 1 1 A 27 27 LYS CA C 27 58.300 58.790 -0.490 1
1 183 . 7 1 1 A 27 27 LYS CB C 27 31.800 31.880 -0.080 1
1 187 . 7 1 1 A 27 27 LYS N N 27 117.700 119.603 -1.903 1
1 188 . 7 1 1 A 28 28 VAL H H 28 7.570 8.079 -0.509 1
1 189 . 7 1 1 A 28 28 VAL HA H 28 3.680 3.643 0.037 1
1 197 . 7 1 1 A 28 28 VAL C C 28 178.600 178.542 0.058 1
1 198 . 7 1 1 A 28 28 VAL CA C 28 66.400 66.415 -0.015 1
1 199 . 7 1 1 A 28 28 VAL CB C 28 31.800 31.717 0.083 1
1 202 . 7 1 1 A 28 28 VAL N N 28 119.900 119.299 0.601 1
1 203 . 7 1 1 A 29 29 ILE H H 29 8.180 7.889 0.291 1
1 204 . 7 1 1 A 29 29 ILE HA H 29 3.290 3.452 -0.162 1
1 212 . 7 1 1 A 29 29 ILE C C 29 177.500 177.967 -0.467 1
1 213 . 7 1 1 A 29 29 ILE CA C 29 65.900 65.272 0.628 1
1 214 . 7 1 1 A 29 29 ILE CB C 29 37.600 37.717 -0.117 1
1 218 . 7 1 1 A 29 29 ILE N N 29 118.500 119.624 -1.124 1
1 219 . 7 1 1 A 30 30 GLU H H 30 8.370 8.470 -0.100 1
1 220 . 7 1 1 A 30 30 GLU HA H 30 3.610 3.791 -0.181 1
1 225 . 7 1 1 A 30 30 GLU C C 30 179.000 178.502 0.498 1
1 226 . 7 1 1 A 30 30 GLU CA C 30 60.400 59.596 0.804 1
1 227 . 7 1 1 A 30 30 GLU CB C 30 29.600 29.114 0.486 1
1 229 . 7 1 1 A 30 30 GLU N N 30 119.200 121.075 -1.875 1
1 230 . 7 1 1 A 31 31 ASP H H 31 8.710 8.392 0.318 1
1 231 . 7 1 1 A 31 31 ASP HA H 31 4.370 4.282 0.088 1
1 234 . 7 1 1 A 31 31 ASP CA C 31 57.600 56.852 0.748 1
1 235 . 7 1 1 A 31 31 ASP CB C 31 40.200 41.295 -1.095 1
1 236 . 7 1 1 A 31 31 ASP N N 31 125.100 120.396 4.704 1
1 237 . 7 1 1 A 32 32 LYS H H 32 8.430 7.576 0.854 1
1 238 . 7 1 1 A 32 32 LYS HA H 32 4.030 4.033 -0.003 1
1 243 . 7 1 1 A 32 32 LYS C C 32 180.300 179.449 0.851 1
1 244 . 7 1 1 A 32 32 LYS CA C 32 60.400 59.405 0.995 1
1 245 . 7 1 1 A 32 32 LYS CB C 32 33.100 32.075 1.025 1
1 248 . 7 1 1 A 32 32 LYS N N 32 120.700 119.418 1.282 1
1 249 . 7 1 1 A 33 33 LEU H H 33 8.580 7.607 0.973 1
1 250 . 7 1 1 A 33 33 LEU HA H 33 4.000 4.007 -0.007 1
1 260 . 7 1 1 A 33 33 LEU C C 33 179.200 178.825 0.375 1
1 261 . 7 1 1 A 33 33 LEU CA C 33 58.000 57.735 0.265 1
1 262 . 7 1 1 A 33 33 LEU CB C 33 42.500 41.114 1.386 1
1 266 . 7 1 1 A 33 33 LEU N N 33 117.200 117.948 -0.748 1
1 267 . 7 1 1 A 34 34 SER H H 34 8.670 8.142 0.528 1
1 268 . 7 1 1 A 34 34 SER HA H 34 4.100 4.101 -0.001 1
1 271 . 7 1 1 A 34 34 SER C C 34 176.900 177.343 -0.443 1
1 272 . 7 1 1 A 34 34 SER CA C 34 62.500 61.553 0.947 1
1 273 . 7 1 1 A 34 34 SER CB C 34 62.500 62.989 -0.489 1
1 274 . 7 1 1 A 34 34 SER N N 34 115.500 115.395 0.105 1
1 275 . 7 1 1 A 35 35 SER H H 35 8.080 8.126 -0.046 1
1 276 . 7 1 1 A 35 35 SER HA H 35 4.200 4.177 0.023 1
1 279 . 7 1 1 A 35 35 SER C C 35 175.900 175.963 -0.063 1
1 280 . 7 1 1 A 35 35 SER CA C 35 60.900 61.382 -0.482 1
1 281 . 7 1 1 A 35 35 SER CB C 35 62.900 63.144 -0.244 1
1 282 . 7 1 1 A 35 35 SER N N 35 115.300 116.586 -1.286 1
1 283 . 7 1 1 A 36 36 ALA H H 36 7.570 7.681 -0.111 1
1 284 . 7 1 1 A 36 36 ALA HA H 36 4.340 4.118 0.222 1
1 288 . 7 1 1 A 36 36 ALA C C 36 179.200 180.070 -0.870 1
1 289 . 7 1 1 A 36 36 ALA CA C 36 54.300 54.697 -0.397 1
1 290 . 7 1 1 A 36 36 ALA CB C 36 20.900 18.836 2.064 1
1 291 . 7 1 1 A 36 36 ALA N N 36 119.000 123.461 -4.461 1
1 292 . 7 1 1 A 37 37 LEU H H 37 7.960 8.053 -0.093 1
1 293 . 7 1 1 A 37 37 LEU HA H 37 4.530 4.210 0.320 1
1 303 . 7 1 1 A 37 37 LEU CA C 37 53.500 56.367 -2.867 1
1 304 . 7 1 1 A 37 37 LEU CB C 37 42.600 42.548 0.052 1
1 308 . 7 1 1 A 37 37 LEU N N 37 111.800 116.203 -4.403 1
1 309 . 7 1 1 A 38 38 LYS H H 38 7.600 7.955 -0.355 1
1 310 . 7 1 1 A 38 38 LYS HA H 38 4.250 4.219 0.031 1
1 313 . 7 1 1 A 38 38 LYS CA C 38 56.200 56.600 -0.400 1
1 314 . 7 1 1 A 38 38 LYS CB C 38 30.800 31.060 -0.260 1
1 315 . 7 1 1 A 38 38 LYS N N 38 117.200 116.167 1.033 1
1 316 . 7 1 1 A 39 39 PRO HA H 39 4.670 4.669 0.001 1
1 323 . 7 1 1 A 39 39 PRO C C 39 178.100 177.036 1.064 1
1 324 . 7 1 1 A 39 39 PRO CA C 39 63.300 62.008 1.292 1
1 325 . 7 1 1 A 39 39 PRO CB C 39 32.700 32.647 0.053 1
1 328 . 7 1 1 A 40 40 THR H H 40 8.500 8.568 -0.068 1
1 329 . 7 1 1 A 40 40 THR HA H 40 4.290 4.196 0.094 1
1 334 . 7 1 1 A 40 40 THR C C 40 175.700 174.545 1.155 1
1 335 . 7 1 1 A 40 40 THR CA C 40 63.200 63.625 -0.425 1
1 336 . 7 1 1 A 40 40 THR CB C 40 67.600 69.222 -1.622 1
1 338 . 7 1 1 A 40 40 THR N N 40 114.500 112.500 2.000 1
1 339 . 7 1 1 A 41 41 PHE H H 41 7.300 7.302 -0.002 1
1 340 . 7 1 1 A 41 41 PHE HA H 41 4.510 4.647 -0.137 1
1 347 . 7 1 1 A 41 41 PHE C C 41 171.500 172.897 -1.397 1
1 348 . 7 1 1 A 41 41 PHE CA C 41 58.800 56.864 1.936 1
1 349 . 7 1 1 A 41 41 PHE CB C 41 41.000 42.095 -1.095 1
1 354 . 7 1 1 A 41 41 PHE N N 41 121.100 121.023 0.077 1
1 355 . 7 1 1 A 42 42 LEU H H 42 7.530 8.315 -0.785 1
1 356 . 7 1 1 A 42 42 LEU HA H 42 4.910 4.996 -0.086 1
1 366 . 7 1 1 A 42 42 LEU C C 42 173.700 173.389 0.311 1
1 367 . 7 1 1 A 42 42 LEU CA C 42 53.500 53.859 -0.359 1
1 368 . 7 1 1 A 42 42 LEU CB C 42 45.300 45.371 -0.071 1
1 372 . 7 1 1 A 42 42 LEU N N 42 129.100 128.720 0.380 1
1 373 . 7 1 1 A 43 43 GLU H H 43 8.690 8.869 -0.179 1
1 374 . 7 1 1 A 43 43 GLU HA H 43 4.400 4.892 -0.492 1
1 379 . 7 1 1 A 43 43 GLU C C 43 173.500 174.578 -1.078 1
1 380 . 7 1 1 A 43 43 GLU CA C 43 55.800 54.516 1.284 1
1 381 . 7 1 1 A 43 43 GLU CB C 43 34.100 32.755 1.345 1
1 383 . 7 1 1 A 43 43 GLU N N 43 126.900 128.340 -1.440 1
1 384 . 7 1 1 A 44 44 LEU H H 44 9.000 8.747 0.253 1
1 385 . 7 1 1 A 44 44 LEU HA H 44 5.130 4.889 0.241 1
1 395 . 7 1 1 A 44 44 LEU C C 44 175.100 175.027 0.073 1
1 396 . 7 1 1 A 44 44 LEU CA C 44 53.700 53.740 -0.040 1
1 397 . 7 1 1 A 44 44 LEU CB C 44 44.600 43.195 1.405 1
1 401 . 7 1 1 A 44 44 LEU N N 44 129.900 128.984 0.916 1
1 402 . 7 1 1 A 45 45 VAL H H 45 9.000 9.250 -0.250 1
1 403 . 7 1 1 A 45 45 VAL HA H 45 4.370 4.464 -0.094 1
1 411 . 7 1 1 A 45 45 VAL C C 45 175.100 175.521 -0.421 1
1 412 . 7 1 1 A 45 45 VAL CA C 45 61.200 60.908 0.292 1
1 413 . 7 1 1 A 45 45 VAL CB C 45 35.400 34.632 0.768 1
1 416 . 7 1 1 A 45 45 VAL N N 45 122.300 127.296 -4.996 1
1 417 . 7 1 1 A 46 46 ASP H H 46 9.080 8.629 0.451 1
1 418 . 7 1 1 A 46 46 ASP HA H 46 4.530 4.826 -0.296 1
1 421 . 7 1 1 A 46 46 ASP C C 46 176.900 177.352 -0.452 1
1 422 . 7 1 1 A 46 46 ASP CA C 46 53.900 54.477 -0.577 1
1 423 . 7 1 1 A 46 46 ASP CB C 46 40.600 41.373 -0.773 1
1 424 . 7 1 1 A 46 46 ASP N N 46 127.400 126.888 0.512 1
1 425 . 7 1 1 A 47 47 LYS H H 47 8.490 9.039 -0.549 1
1 426 . 7 1 1 A 47 47 LYS HA H 47 4.560 4.045 0.515 1
1 427 . 7 1 1 A 47 47 LYS CA C 47 54.200 58.565 -4.365 1
1 428 . 7 1 1 A 47 47 LYS CB C 47 30.400 32.928 -2.528 1
1 429 . 7 1 1 A 47 47 LYS N N 47 129.500 128.258 1.242 1
1 430 . 7 1 1 A 54 54 SER HA H 54 5.550 5.163 0.387 1
1 433 . 7 1 1 A 54 54 SER C C 54 172.900 172.735 0.165 1
1 434 . 7 1 1 A 54 54 SER CA C 54 57.300 56.280 1.020 1
1 435 . 7 1 1 A 54 54 SER CB C 54 65.800 64.633 1.167 1
1 436 . 7 1 1 A 55 55 PHE H H 55 8.340 8.877 -0.537 1
1 437 . 7 1 1 A 55 55 PHE HA H 55 5.700 5.231 0.469 1
1 442 . 7 1 1 A 55 55 PHE C C 55 174.400 173.556 0.844 1
1 443 . 7 1 1 A 55 55 PHE CA C 55 56.700 56.160 0.540 1
1 444 . 7 1 1 A 55 55 PHE CB C 55 45.300 42.466 2.834 1
1 447 . 7 1 1 A 55 55 PHE N N 55 119.600 126.756 -7.156 1
1 448 . 7 1 1 A 56 56 ASP H H 56 8.840 9.379 -0.539 1
1 449 . 7 1 1 A 56 56 ASP HA H 56 5.350 5.433 -0.083 1
1 452 . 7 1 1 A 56 56 ASP C C 56 174.400 174.256 0.144 1
1 453 . 7 1 1 A 56 56 ASP CA C 56 52.900 52.510 0.390 1
1 454 . 7 1 1 A 56 56 ASP CB C 56 43.700 43.034 0.666 1
1 455 . 7 1 1 A 56 56 ASP N N 56 121.500 124.066 -2.566 1
1 456 . 7 1 1 A 57 57 ALA H H 57 8.780 8.659 0.121 1
1 457 . 7 1 1 A 57 57 ALA HA H 57 5.620 5.188 0.432 1
1 461 . 7 1 1 A 57 57 ALA C C 57 176.400 175.928 0.472 1
1 462 . 7 1 1 A 57 57 ALA CA C 57 50.200 50.145 0.055 1
1 463 . 7 1 1 A 57 57 ALA CB C 57 23.600 20.801 2.799 1
1 464 . 7 1 1 A 57 57 ALA N N 57 125.000 129.479 -4.479 1
1 465 . 7 1 1 A 58 58 VAL H H 58 9.080 9.024 0.056 1
1 466 . 7 1 1 A 58 58 VAL HA H 58 4.580 4.455 0.125 1
1 474 . 7 1 1 A 58 58 VAL C C 58 175.000 174.610 0.390 1
1 475 . 7 1 1 A 58 58 VAL CA C 58 62.800 62.709 0.091 1
1 476 . 7 1 1 A 58 58 VAL CB C 58 34.100 31.394 2.706 1
1 479 . 7 1 1 A 58 58 VAL N N 58 125.100 123.374 1.726 1
1 480 . 7 1 1 A 59 59 ILE H H 59 8.750 9.335 -0.585 1
1 481 . 7 1 1 A 59 59 ILE HA H 59 4.430 5.005 -0.575 1
1 489 . 7 1 1 A 59 59 ILE C C 59 173.900 173.756 0.144 1
1 490 . 7 1 1 A 59 59 ILE CA C 59 60.900 60.048 0.852 1
1 491 . 7 1 1 A 59 59 ILE CB C 59 41.100 40.697 0.403 1
1 495 . 7 1 1 A 59 59 ILE N N 59 125.000 129.547 -4.547 1
1 496 . 7 1 1 A 60 60 VAL H H 60 8.540 9.105 -0.565 1
1 497 . 7 1 1 A 60 60 VAL HA H 60 5.540 5.486 0.054 1
1 505 . 7 1 1 A 60 60 VAL C C 60 175.900 174.830 1.070 1
1 506 . 7 1 1 A 60 60 VAL CA C 60 60.200 60.980 -0.780 1
1 507 . 7 1 1 A 60 60 VAL CB C 60 31.800 32.522 -0.722 1
1 510 . 7 1 1 A 60 60 VAL N N 60 128.600 131.927 -3.327 1
1 511 . 7 1 1 A 61 61 SER H H 61 8.720 8.652 0.068 1
1 512 . 7 1 1 A 61 61 SER HA H 61 5.000 5.179 -0.179 1
1 515 . 7 1 1 A 61 61 SER C C 61 175.700 174.017 1.683 1
1 516 . 7 1 1 A 61 61 SER CA C 61 56.500 56.471 0.029 1
1 517 . 7 1 1 A 61 61 SER CB C 61 64.400 65.413 -1.013 1
1 518 . 7 1 1 A 61 61 SER N N 61 115.900 121.585 -5.685 1
1 519 . 7 1 1 A 62 62 ASN H H 62 9.650 9.147 0.503 1
1 520 . 7 1 1 A 62 62 ASN HA H 62 4.670 4.551 0.119 1
1 525 . 7 1 1 A 62 62 ASN CA C 62 56.500 55.665 0.835 1
1 526 . 7 1 1 A 62 62 ASN CB C 62 38.600 38.109 0.491 1
1 528 . 7 1 1 A 62 62 ASN N N 62 129.400 124.175 5.225 1
1 530 . 7 1 1 A 63 63 ASN H H 63 8.920 8.642 0.278 1
1 531 . 7 1 1 A 63 63 ASN HA H 63 4.490 4.510 -0.020 1
1 536 . 7 1 1 A 63 63 ASN C C 63 175.200 177.766 -2.566 1
1 537 . 7 1 1 A 63 63 ASN CA C 63 55.700 55.626 0.074 1
1 538 . 7 1 1 A 63 63 ASN CB C 63 37.600 37.204 0.396 1
1 539 . 7 1 1 A 63 63 ASN N N 63 119.500 115.430 4.070 1
1 541 . 7 1 1 A 64 64 PHE H H 64 6.950 7.821 -0.871 1
1 542 . 7 1 1 A 64 64 PHE HA H 64 4.690 4.225 0.465 1
1 545 . 7 1 1 A 64 64 PHE C C 64 174.200 177.728 -3.528 1
1 546 . 7 1 1 A 64 64 PHE CA C 64 54.900 59.858 -4.958 1
1 547 . 7 1 1 A 64 64 PHE CB C 64 37.500 39.973 -2.473 1
1 548 . 7 1 1 A 64 64 PHE N N 64 113.700 120.852 -7.152 1
1 549 . 7 1 1 A 65 65 GLU H H 65 7.470 8.271 -0.801 1
1 550 . 7 1 1 A 65 65 GLU HA H 65 4.010 4.057 -0.047 1
1 555 . 7 1 1 A 65 65 GLU C C 65 174.800 178.569 -3.769 1
1 556 . 7 1 1 A 65 65 GLU CA C 65 58.400 58.999 -0.599 1
1 557 . 7 1 1 A 65 65 GLU CB C 65 29.700 29.237 0.463 1
1 559 . 7 1 1 A 65 65 GLU N N 65 120.500 119.375 1.125 1
1 560 . 7 1 1 A 66 66 ASP H H 66 9.010 7.523 1.487 1
1 561 . 7 1 1 A 66 66 ASP HA H 66 4.390 4.546 -0.156 1
1 564 . 7 1 1 A 66 66 ASP C C 66 175.000 175.810 -0.810 1
1 565 . 7 1 1 A 66 66 ASP CA C 66 55.800 56.061 -0.261 1
1 566 . 7 1 1 A 66 66 ASP CB C 66 39.800 41.384 -1.584 1
1 567 . 7 1 1 A 66 66 ASP N N 66 119.200 120.395 -1.195 1
1 568 . 7 1 1 A 67 67 LYS H H 67 7.800 7.907 -0.107 1
1 569 . 7 1 1 A 67 67 LYS C C 67 177.400 175.280 2.120 1
1 570 . 7 1 1 A 67 67 LYS CA C 67 54.700 57.381 -2.681 1
1 571 . 7 1 1 A 67 67 LYS CB C 67 38.400 31.191 7.209 1
1 575 . 7 1 1 A 67 67 LYS N N 67 117.200 118.975 -1.775 1
1 576 . 7 1 1 A 68 68 LYS H H 68 9.340 8.189 1.151 1
1 577 . 7 1 1 A 68 68 LYS HA H 68 4.400 4.520 -0.120 1
1 586 . 7 1 1 A 68 68 LYS C C 68 177.500 176.350 1.150 1
1 587 . 7 1 1 A 68 68 LYS CA C 68 55.900 54.404 1.496 1
1 588 . 7 1 1 A 68 68 LYS CB C 68 32.700 30.578 2.122 1
1 592 . 7 1 1 A 68 68 LYS N N 68 125.800 119.695 6.105 1
1 593 . 7 1 1 A 69 69 LEU H H 69 8.710 7.736 0.974 1
1 594 . 7 1 1 A 69 69 LEU HA H 69 3.630 4.104 -0.474 1
1 603 . 7 1 1 A 69 69 LEU C C 69 178.400 178.267 0.133 1
1 604 . 7 1 1 A 69 69 LEU CA C 69 60.300 58.365 1.935 1
1 605 . 7 1 1 A 69 69 LEU CB C 69 41.600 41.529 0.071 1
1 608 . 7 1 1 A 69 69 LEU N N 69 124.300 126.192 -1.892 1
1 609 . 7 1 1 A 70 70 LEU H H 70 8.700 8.019 0.681 1
1 610 . 7 1 1 A 70 70 LEU HA H 70 3.930 4.001 -0.071 1
1 620 . 7 1 1 A 70 70 LEU C C 70 179.400 178.863 0.537 1
1 621 . 7 1 1 A 70 70 LEU CA C 70 58.200 58.051 0.149 1
1 622 . 7 1 1 A 70 70 LEU CB C 70 41.700 41.147 0.553 1
1 626 . 7 1 1 A 70 70 LEU N N 70 116.100 116.764 -0.664 1
1 627 . 7 1 1 A 71 71 ASP H H 71 7.130 8.134 -1.004 1
1 628 . 7 1 1 A 71 71 ASP HA H 71 4.660 4.394 0.266 1
1 631 . 7 1 1 A 71 71 ASP C C 71 179.000 179.240 -0.240 1
1 632 . 7 1 1 A 71 71 ASP CA C 71 57.100 56.965 0.135 1
1 633 . 7 1 1 A 71 71 ASP CB C 71 40.800 40.648 0.152 1
1 634 . 7 1 1 A 71 71 ASP N N 71 117.600 120.090 -2.490 1
1 635 . 7 1 1 A 72 72 ARG H H 72 8.190 8.427 -0.237 1
1 636 . 7 1 1 A 72 72 ARG HA H 72 3.930 4.142 -0.212 1
1 637 . 7 1 1 A 72 72 ARG C C 72 177.000 178.443 -1.443 1
1 638 . 7 1 1 A 72 72 ARG CA C 72 60.100 58.665 1.435 1
1 639 . 7 1 1 A 72 72 ARG CB C 72 29.300 29.852 -0.552 1
1 642 . 7 1 1 A 72 72 ARG N N 72 122.200 118.343 3.857 1
1 643 . 7 1 1 A 73 73 HIS H H 73 8.030 8.228 -0.198 1
1 644 . 7 1 1 A 73 73 HIS HA H 73 4.100 4.256 -0.156 1
1 648 . 7 1 1 A 73 73 HIS C C 73 177.300 177.354 -0.054 1
1 649 . 7 1 1 A 73 73 HIS CA C 73 58.100 59.556 -1.456 1
1 650 . 7 1 1 A 73 73 HIS CB C 73 30.200 29.953 0.247 1
1 652 . 7 1 1 A 73 73 HIS N N 73 116.800 120.282 -3.482 1
1 653 . 7 1 1 A 74 74 ARG H H 74 8.290 8.496 -0.206 1
1 654 . 7 1 1 A 74 74 ARG HA H 74 4.080 3.911 0.169 1
1 661 . 7 1 1 A 74 74 ARG C C 74 178.700 178.676 0.024 1
1 662 . 7 1 1 A 74 74 ARG CA C 74 59.700 58.883 0.817 1
1 663 . 7 1 1 A 74 74 ARG CB C 74 30.400 29.847 0.553 1
1 666 . 7 1 1 A 74 74 ARG N N 74 118.200 118.277 -0.077 1
1 667 . 7 1 1 A 75 75 LEU H H 75 7.740 7.957 -0.217 1
1 668 . 7 1 1 A 75 75 LEU HA H 75 4.270 3.987 0.283 1
1 678 . 7 1 1 A 75 75 LEU CA C 75 58.300 58.019 0.281 1
1 679 . 7 1 1 A 75 75 LEU CB C 75 42.000 42.030 -0.030 1
1 683 . 7 1 1 A 75 75 LEU N N 75 121.200 121.305 -0.105 1
1 684 . 7 1 1 A 76 76 VAL H H 76 7.590 7.926 -0.336 1
1 685 . 7 1 1 A 76 76 VAL HA H 76 3.360 3.447 -0.087 1
1 693 . 7 1 1 A 76 76 VAL C C 76 176.800 177.571 -0.771 1
1 694 . 7 1 1 A 76 76 VAL CA C 76 67.500 66.837 0.663 1
1 695 . 7 1 1 A 76 76 VAL CB C 76 31.500 31.263 0.237 1
1 698 . 7 1 1 A 76 76 VAL N N 76 119.300 117.328 1.972 1
1 699 . 7 1 1 A 77 77 ASN H H 77 8.690 8.236 0.454 1
1 700 . 7 1 1 A 77 77 ASN HA H 77 4.190 4.399 -0.209 1
1 705 . 7 1 1 A 77 77 ASN C C 77 178.000 177.981 0.019 1
1 706 . 7 1 1 A 77 77 ASN CA C 77 55.400 56.269 -0.869 1
1 707 . 7 1 1 A 77 77 ASN CB C 77 37.600 38.338 -0.738 1
1 708 . 7 1 1 A 77 77 ASN N N 77 117.100 119.266 -2.166 1
1 710 . 7 1 1 A 78 78 THR H H 78 8.050 7.883 0.167 1
1 711 . 7 1 1 A 78 78 THR HA H 78 3.970 3.980 -0.010 1
1 716 . 7 1 1 A 78 78 THR C C 78 176.900 176.703 0.197 1
1 717 . 7 1 1 A 78 78 THR CA C 78 66.700 67.136 -0.436 1
1 718 . 7 1 1 A 78 78 THR CB C 78 68.800 68.143 0.657 1
1 720 . 7 1 1 A 78 78 THR N N 78 116.300 116.574 -0.274 1
1 721 . 7 1 1 A 79 79 ILE H H 79 8.020 7.727 0.293 1
1 722 . 7 1 1 A 79 79 ILE HA H 79 3.670 3.770 -0.100 1
1 730 . 7 1 1 A 79 79 ILE CA C 79 65.000 64.186 0.814 1
1 731 . 7 1 1 A 79 79 ILE CB C 79 38.500 38.112 0.388 1
1 734 . 7 1 1 A 79 79 ILE N N 79 124.800 120.971 3.829 1
1 735 . 7 1 1 A 80 80 LEU H H 80 7.770 8.198 -0.428 1
1 745 . 7 1 1 A 80 80 LEU C C 80 176.000 178.584 -2.584 1
1 746 . 7 1 1 A 80 80 LEU CA C 80 52.900 55.238 -2.338 1
1 747 . 7 1 1 A 80 80 LEU CB C 80 41.100 41.544 -0.444 1
1 751 . 7 1 1 A 80 80 LEU N N 80 115.200 119.092 -3.892 1
1 752 . 7 1 1 A 81 81 LYS H H 81 6.880 7.799 -0.919 1
1 753 . 7 1 1 A 81 81 LYS HA H 81 3.820 3.858 -0.038 1
1 762 . 7 1 1 A 81 81 LYS C C 81 178.400 178.874 -0.474 1
1 763 . 7 1 1 A 81 81 LYS CA C 81 60.700 59.801 0.899 1
1 764 . 7 1 1 A 81 81 LYS CB C 81 32.800 32.430 0.370 1
1 768 . 7 1 1 A 81 81 LYS N N 81 120.300 121.131 -0.831 1
1 769 . 7 1 1 A 82 82 GLU H H 82 8.620 8.183 0.437 1
1 770 . 7 1 1 A 82 82 GLU HA H 82 4.020 4.084 -0.064 1
1 773 . 7 1 1 A 82 82 GLU C C 82 178.500 179.119 -0.619 1
1 774 . 7 1 1 A 82 82 GLU CA C 82 59.000 59.362 -0.362 1
1 775 . 7 1 1 A 82 82 GLU CB C 82 28.700 28.838 -0.138 1
1 777 . 7 1 1 A 82 82 GLU N N 82 116.700 118.067 -1.367 1
1 778 . 7 1 1 A 83 83 GLU H H 83 8.070 7.838 0.232 1
1 779 . 7 1 1 A 83 83 GLU HA H 83 3.980 3.984 -0.004 1
1 784 . 7 1 1 A 83 83 GLU C C 83 179.300 178.792 0.508 1
1 785 . 7 1 1 A 83 83 GLU CA C 83 60.900 59.231 1.669 1
1 786 . 7 1 1 A 83 83 GLU CB C 83 28.900 29.325 -0.425 1
1 788 . 7 1 1 A 83 83 GLU N N 83 120.300 120.108 0.192 1
1 789 . 7 1 1 A 84 84 LEU H H 84 8.480 8.394 0.086 1
1 790 . 7 1 1 A 84 84 LEU HA H 84 3.910 3.935 -0.025 1
1 800 . 7 1 1 A 84 84 LEU C C 84 178.200 179.535 -1.335 1
1 801 . 7 1 1 A 84 84 LEU CA C 84 57.000 58.068 -1.068 1
1 802 . 7 1 1 A 84 84 LEU CB C 84 40.800 41.339 -0.539 1
1 806 . 7 1 1 A 84 84 LEU N N 84 116.700 120.011 -3.311 1
1 807 . 7 1 1 A 85 85 GLN H H 85 7.130 7.729 -0.599 1
1 808 . 7 1 1 A 85 85 GLN HA H 85 4.140 4.028 0.112 1
1 815 . 7 1 1 A 85 85 GLN C C 85 176.300 177.463 -1.163 1
1 816 . 7 1 1 A 85 85 GLN CA C 85 57.900 58.709 -0.809 1
1 817 . 7 1 1 A 85 85 GLN CB C 85 28.900 28.246 0.654 1
1 819 . 7 1 1 A 85 85 GLN N N 85 115.400 117.314 -1.914 1
1 821 . 7 1 1 A 86 86 ASN H H 86 7.630 7.910 -0.280 1
1 822 . 7 1 1 A 86 86 ASN HA H 86 5.020 4.813 0.207 1
1 827 . 7 1 1 A 86 86 ASN C C 86 174.100 175.026 -0.926 1
1 828 . 7 1 1 A 86 86 ASN CA C 86 52.800 54.044 -1.244 1
1 829 . 7 1 1 A 86 86 ASN CB C 86 40.400 39.361 1.039 1
1 830 . 7 1 1 A 86 86 ASN N N 86 114.000 115.599 -1.599 1
1 832 . 7 1 1 A 87 87 ILE H H 87 7.300 8.129 -0.829 1
1 833 . 7 1 1 A 87 87 ILE HA H 87 4.320 4.940 -0.620 1
1 843 . 7 1 1 A 87 87 ILE C C 87 174.500 175.672 -1.172 1
1 844 . 7 1 1 A 87 87 ILE CA C 87 60.400 59.836 0.564 1
1 845 . 7 1 1 A 87 87 ILE CB C 87 40.600 40.684 -0.084 1
1 849 . 7 1 1 A 87 87 ILE N N 87 119.300 119.906 -0.606 1
1 850 . 7 1 1 A 88 88 HIS H H 88 9.140 9.152 -0.012 1
1 851 . 7 1 1 A 88 88 HIS HA H 88 4.680 4.561 0.119 1
1 855 . 7 1 1 A 88 88 HIS CA C 88 57.300 57.691 -0.391 1
1 856 . 7 1 1 A 88 88 HIS CB C 88 30.200 31.335 -1.135 1
1 858 . 7 1 1 A 88 88 HIS N N 88 125.000 125.544 -0.544 1
1 859 . 7 1 1 A 89 89 ALA H H 89 7.600 7.402 0.198 1
1 860 . 7 1 1 A 89 89 ALA HA H 89 4.620 4.380 0.240 1
1 864 . 7 1 1 A 89 89 ALA C C 89 174.300 175.815 -1.515 1
1 865 . 7 1 1 A 89 89 ALA CA C 89 52.300 51.706 0.594 1
1 866 . 7 1 1 A 89 89 ALA CB C 89 21.300 19.695 1.605 1
1 867 . 7 1 1 A 89 89 ALA N N 89 120.100 119.208 0.892 1
1 868 . 7 1 1 A 90 90 PHE H H 90 8.830 9.294 -0.464 1
1 869 . 7 1 1 A 90 90 PHE HA H 90 5.220 5.454 -0.234 1
1 877 . 7 1 1 A 90 90 PHE C C 90 173.700 174.282 -0.582 1
1 878 . 7 1 1 A 90 90 PHE CA C 90 57.200 57.736 -0.536 1
1 879 . 7 1 1 A 90 90 PHE CB C 90 42.000 41.965 0.035 1
1 885 . 7 1 1 A 90 90 PHE N N 90 126.100 126.887 -0.787 1
1 886 . 7 1 1 A 91 91 SER H H 91 8.320 8.272 0.048 1
1 887 . 7 1 1 A 91 91 SER HA H 91 4.730 4.833 -0.103 1
1 891 . 7 1 1 A 91 91 SER C C 91 172.600 172.475 0.125 1
1 892 . 7 1 1 A 91 91 SER CA C 91 56.500 57.170 -0.670 1
1 893 . 7 1 1 A 91 91 SER CB C 91 64.100 65.954 -1.854 1
1 894 . 7 1 1 A 91 91 SER N N 91 123.100 122.557 0.543 1
1 895 . 7 1 1 A 92 92 MET H H 92 8.660 9.265 -0.605 1
1 896 . 7 1 1 A 92 92 MET HA H 92 5.490 5.277 0.213 1
1 901 . 7 1 1 A 92 92 MET C C 92 174.300 174.185 0.115 1
1 902 . 7 1 1 A 92 92 MET CA C 92 53.600 53.224 0.376 1
1 903 . 7 1 1 A 92 92 MET CB C 92 37.500 34.889 2.611 1
1 906 . 7 1 1 A 92 92 MET N N 92 119.600 120.830 -1.230 1
1 907 . 7 1 1 A 93 93 LYS H H 93 8.190 9.230 -1.040 1
1 908 . 7 1 1 A 93 93 LYS HA H 93 4.450 4.817 -0.367 1
1 917 . 7 1 1 A 93 93 LYS C C 93 174.400 174.990 -0.590 1
1 918 . 7 1 1 A 93 93 LYS CA C 93 55.400 54.809 0.591 1
1 919 . 7 1 1 A 93 93 LYS CB C 93 34.700 34.212 0.488 1
1 923 . 7 1 1 A 93 93 LYS N N 93 122.700 122.800 -0.100 1
1 924 . 7 1 1 A 94 94 CYS H H 94 8.340 8.669 -0.329 1
1 925 . 7 1 1 A 94 94 CYS HA H 94 4.960 5.271 -0.311 1
1 928 . 7 1 1 A 94 94 CYS C C 94 173.600 173.413 0.187 1
1 929 . 7 1 1 A 94 94 CYS CA C 94 56.600 56.967 -0.367 1
1 930 . 7 1 1 A 94 94 CYS CB C 94 29.800 29.203 0.597 1
1 931 . 7 1 1 A 94 94 CYS N N 94 120.300 125.564 -5.264 1
1 932 . 7 1 1 A 95 95 HIS H H 95 9.040 9.063 -0.023 1
1 933 . 7 1 1 A 95 95 HIS HA H 95 5.440 5.090 0.350 1
1 936 . 7 1 1 A 95 95 HIS C C 95 175.700 174.520 1.180 1
1 937 . 7 1 1 A 95 95 HIS CA C 95 53.600 54.598 -0.998 1
1 938 . 7 1 1 A 95 95 HIS CB C 95 35.300 34.015 1.285 1
1 939 . 7 1 1 A 95 95 HIS N N 95 122.000 120.810 1.190 1
1 940 . 7 1 1 A 96 96 THR H H 96 8.910 8.686 0.224 1
1 941 . 7 1 1 A 96 96 THR HA H 96 5.150 5.095 0.055 1
1 945 . 7 1 1 A 96 96 THR CA C 96 60.100 59.026 1.074 1
1 946 . 7 1 1 A 96 96 THR CB C 96 67.600 69.909 -2.309 1
1 948 . 7 1 1 A 96 96 THR N N 96 113.600 113.230 0.370 1
1 949 . 7 1 1 A 97 97 PRO HA H 97 4.060 4.547 -0.487 1
1 956 . 7 1 1 A 97 97 PRO C C 97 178.600 177.734 0.866 1
1 957 . 7 1 1 A 97 97 PRO CA C 97 66.600 65.326 1.274 1
1 958 . 7 1 1 A 97 97 PRO CB C 97 31.600 31.991 -0.391 1
1 961 . 7 1 1 A 98 98 LEU H H 98 8.410 7.839 0.571 1
1 962 . 7 1 1 A 98 98 LEU HA H 98 4.230 4.106 0.124 1
1 971 . 7 1 1 A 98 98 LEU C C 98 179.800 178.741 1.059 1
1 972 . 7 1 1 A 98 98 LEU CA C 98 58.200 57.740 0.460 1
1 973 . 7 1 1 A 98 98 LEU CB C 98 42.000 41.646 0.354 1
1 976 . 7 1 1 A 98 98 LEU N N 98 118.300 118.080 0.220 1
1 977 . 7 1 1 A 99 99 GLU H H 99 7.660 8.413 -0.753 1
1 978 . 7 1 1 A 99 99 GLU HA H 99 3.900 4.035 -0.135 1
1 983 . 7 1 1 A 99 99 GLU C C 99 180.200 178.582 1.618 1
1 984 . 7 1 1 A 99 99 GLU CA C 99 58.400 59.521 -1.121 1
1 985 . 7 1 1 A 99 99 GLU CB C 99 30.400 29.470 0.930 1
1 987 . 7 1 1 A 99 99 GLU N N 99 118.100 118.462 -0.362 1
1 988 . 7 1 1 A 100 100 TYR H H 100 8.770 8.275 0.495 1
1 989 . 7 1 1 A 100 100 TYR HA H 100 3.860 4.135 -0.275 1
1 996 . 7 1 1 A 100 100 TYR C C 100 176.800 177.444 -0.644 1
1 997 . 7 1 1 A 100 100 TYR CA C 100 60.800 61.268 -0.468 1
1 998 . 7 1 1 A 100 100 TYR CB C 100 39.200 38.581 0.619 1
1 1003 . 7 1 1 A 100 100 TYR N N 100 120.100 122.131 -2.031 1
1 1004 . 7 1 1 A 101 101 ASP H H 101 8.100 8.230 -0.130 1
1 1005 . 7 1 1 A 101 101 ASP HA H 101 4.180 4.018 0.162 1
1 1008 . 7 1 1 A 101 101 ASP C C 101 178.700 178.543 0.157 1
1 1009 . 7 1 1 A 101 101 ASP CA C 101 57.300 57.435 -0.135 1
1 1010 . 7 1 1 A 101 101 ASP CB C 101 40.800 42.096 -1.296 1
1 1011 . 7 1 1 A 101 101 ASP N N 101 118.400 119.037 -0.637 1
1 1012 . 7 1 1 A 102 102 LYS H H 102 7.480 7.525 -0.045 1
1 1013 . 7 1 1 A 102 102 LYS HA H 102 4.070 3.947 0.123 1
1 1020 . 7 1 1 A 102 102 LYS CA C 102 58.300 59.497 -1.197 1
1 1021 . 7 1 1 A 102 102 LYS CB C 102 32.300 32.201 0.099 1
1 1024 . 7 1 1 A 102 102 LYS N N 102 117.500 119.038 -1.538 1
1 1025 . 7 1 1 A 103 103 LEU H H 103 7.580 7.841 -0.261 1
1 1026 . 7 1 1 A 103 103 LEU HA H 103 4.050 3.890 0.160 1
1 1036 . 7 1 1 A 103 103 LEU C C 103 178.700 179.891 -1.191 1
1 1037 . 7 1 1 A 103 103 LEU CA C 103 56.800 57.769 -0.969 1
1 1038 . 7 1 1 A 103 103 LEU CB C 103 42.000 41.042 0.958 1
1 1042 . 7 1 1 A 103 103 LEU N N 103 120.100 119.992 0.108 1
1 1043 . 7 1 1 A 104 104 LYS H H 104 7.730 7.602 0.128 1
1 1044 . 7 1 1 A 104 104 LYS HA H 104 3.960 3.879 0.081 1
1 1053 . 7 1 1 A 104 104 LYS CA C 104 56.700 58.789 -2.089 1
1 1054 . 7 1 1 A 104 104 LYS CB C 104 31.700 31.468 0.232 1
1 1058 . 7 1 1 A 104 104 LYS N N 104 118.500 118.399 0.101 1
1 1059 . 7 1 1 A 105 105 SER H H 105 7.790 7.706 0.084 1
1 1060 . 7 1 1 A 105 105 SER HA H 105 4.330 4.152 0.178 1
1 1063 . 7 1 1 A 105 105 SER C C 105 174.700 176.649 -1.949 1
1 1064 . 7 1 1 A 105 105 SER CA C 105 58.900 61.072 -2.172 1
1 1065 . 7 1 1 A 105 105 SER CB C 105 63.500 62.826 0.674 1
1 1066 . 7 1 1 A 105 105 SER N N 105 114.900 115.239 -0.339 1
1 1067 . 7 1 1 A 106 106 LYS H H 106 8.000 8.034 -0.034 1
1 1068 . 7 1 1 A 106 106 LYS HA H 106 4.300 4.171 0.129 1
1 1077 . 7 1 1 A 106 106 LYS C C 106 177.000 176.872 0.128 1
1 1078 . 7 1 1 A 106 106 LYS CA C 106 56.600 56.864 -0.264 1
1 1079 . 7 1 1 A 106 106 LYS CB C 106 32.800 33.300 -0.500 1
1 1081 . 7 1 1 A 106 106 LYS N N 106 122.400 115.987 6.413 1
1 1082 . 7 1 1 A 107 107 GLY H H 107 8.310 8.212 0.098 1
1 1083 . 7 1 1 A 107 107 GLY HA2 H 107 3.990 3.895 0.095 1
1 1084 . 7 1 1 A 107 107 GLY HA3 H 107 3.990 3.916 0.074 1
1 1085 . 7 1 1 A 107 107 GLY CA C 107 45.300 46.066 -0.766 1
1 1086 . 7 1 1 A 107 107 GLY N N 107 110.000 109.193 0.807 1
1 1 . 8 1 1 A 11 11 SER HA H 11 4.510 4.455 0.055 1
1 4 . 8 1 1 A 11 11 SER C C 11 174.600 174.038 0.562 1
1 5 . 8 1 1 A 11 11 SER CA C 11 58.400 58.541 -0.141 1
1 6 . 8 1 1 A 11 11 SER CB C 11 63.800 63.919 -0.119 1
1 7 . 8 1 1 A 12 12 SER H H 12 8.630 8.708 -0.078 1
1 8 . 8 1 1 A 12 12 SER HA H 12 4.500 4.850 -0.350 1
1 11 . 8 1 1 A 12 12 SER C C 12 175.000 175.303 -0.303 1
1 12 . 8 1 1 A 12 12 SER CA C 12 58.600 58.505 0.095 1
1 13 . 8 1 1 A 12 12 SER CB C 12 63.900 63.126 0.774 1
1 14 . 8 1 1 A 12 12 SER N N 12 118.300 121.710 -3.410 1
1 15 . 8 1 1 A 13 13 GLY H H 13 8.560 8.973 -0.413 1
1 16 . 8 1 1 A 13 13 GLY HA2 H 13 4.050 4.049 0.001 1
1 17 . 8 1 1 A 13 13 GLY HA3 H 13 4.050 4.059 -0.009 1
1 18 . 8 1 1 A 13 13 GLY C C 13 174.300 175.205 -0.905 1
1 19 . 8 1 1 A 13 13 GLY CA C 13 45.400 46.245 -0.845 1
1 20 . 8 1 1 A 13 13 GLY N N 13 111.000 114.922 -3.922 1
1 21 . 8 1 1 A 14 14 ARG H H 14 8.260 8.390 -0.130 1
1 22 . 8 1 1 A 14 14 ARG HA H 14 4.320 4.131 0.189 1
1 29 . 8 1 1 A 14 14 ARG C C 14 176.400 177.919 -1.519 1
1 30 . 8 1 1 A 14 14 ARG CA C 14 56.300 58.940 -2.640 1
1 31 . 8 1 1 A 14 14 ARG CB C 14 30.600 30.072 0.528 1
1 34 . 8 1 1 A 14 14 ARG N N 14 120.400 118.964 1.436 1
1 35 . 8 1 1 A 15 15 GLU H H 15 8.660 8.424 0.236 1
1 36 . 8 1 1 A 15 15 GLU HA H 15 4.210 4.438 -0.228 1
1 41 . 8 1 1 A 15 15 GLU C C 15 176.200 177.169 -0.969 1
1 42 . 8 1 1 A 15 15 GLU CA C 15 57.200 56.408 0.792 1
1 43 . 8 1 1 A 15 15 GLU CB C 15 29.700 29.329 0.371 1
1 45 . 8 1 1 A 15 15 GLU N N 15 121.100 117.243 3.857 1
1 46 . 8 1 1 A 16 16 ASN H H 16 8.420 8.590 -0.170 1
1 47 . 8 1 1 A 16 16 ASN HA H 16 4.680 4.550 0.130 1
1 52 . 8 1 1 A 16 16 ASN C C 16 175.100 176.773 -1.673 1
1 53 . 8 1 1 A 16 16 ASN CA C 16 53.300 55.162 -1.862 1
1 54 . 8 1 1 A 16 16 ASN CB C 16 38.700 36.898 1.802 1
1 55 . 8 1 1 A 16 16 ASN N N 16 118.900 118.917 -0.017 1
1 57 . 8 1 1 A 17 17 LEU H H 17 8.110 7.752 0.358 1
1 58 . 8 1 1 A 17 17 LEU HA H 17 4.210 4.125 0.085 1
1 68 . 8 1 1 A 17 17 LEU C C 17 177.000 176.687 0.313 1
1 69 . 8 1 1 A 17 17 LEU CA C 17 55.600 56.801 -1.201 1
1 70 . 8 1 1 A 17 17 LEU CB C 17 42.200 42.570 -0.370 1
1 74 . 8 1 1 A 17 17 LEU N N 17 121.900 118.172 3.728 1
1 75 . 8 1 1 A 18 18 TYR H H 18 8.070 7.878 0.192 1
1 76 . 8 1 1 A 18 18 TYR HA H 18 4.530 4.942 -0.412 1
1 83 . 8 1 1 A 18 18 TYR C C 18 175.700 176.205 -0.505 1
1 84 . 8 1 1 A 18 18 TYR CA C 18 58.000 57.897 0.103 1
1 85 . 8 1 1 A 18 18 TYR CB C 18 38.700 40.326 -1.626 1
1 90 . 8 1 1 A 18 18 TYR N N 18 119.500 117.445 2.055 1
1 91 . 8 1 1 A 19 19 PHE H H 19 8.120 8.855 -0.735 1
1 92 . 8 1 1 A 19 19 PHE HA H 19 4.560 4.852 -0.292 1
1 99 . 8 1 1 A 19 19 PHE C C 19 175.500 175.499 0.001 1
1 100 . 8 1 1 A 19 19 PHE CA C 19 57.900 57.288 0.612 1
1 101 . 8 1 1 A 19 19 PHE CB C 19 39.500 38.846 0.654 1
1 106 . 8 1 1 A 19 19 PHE N N 19 121.200 119.377 1.823 1
1 107 . 8 1 1 A 20 20 GLN H H 20 8.300 7.817 0.483 1
1 108 . 8 1 1 A 20 20 GLN HA H 20 4.200 4.035 0.165 1
1 115 . 8 1 1 A 20 20 GLN C C 20 176.000 175.181 0.819 1
1 116 . 8 1 1 A 20 20 GLN CA C 20 56.100 56.982 -0.882 1
1 117 . 8 1 1 A 20 20 GLN CB C 20 29.100 25.935 3.165 1
1 119 . 8 1 1 A 20 20 GLN N N 20 121.700 112.976 8.724 1
1 121 . 8 1 1 A 21 21 GLY H H 21 7.970 7.308 0.662 1
1 122 . 8 1 1 A 21 21 GLY HA2 H 21 3.940 3.171 0.769 1
1 123 . 8 1 1 A 21 21 GLY HA3 H 21 3.830 3.835 -0.005 1
1 124 . 8 1 1 A 21 21 GLY CA C 21 45.400 46.443 -1.043 1
1 125 . 8 1 1 A 21 21 GLY N N 21 108.500 106.123 2.377 1
1 126 . 8 1 1 A 22 22 HIS H H 22 8.280 8.104 0.176 1
1 127 . 8 1 1 A 22 22 HIS C C 22 174.000 175.352 -1.352 1
1 128 . 8 1 1 A 22 22 HIS CA C 22 56.000 58.159 -2.159 1
1 129 . 8 1 1 A 22 22 HIS CB C 22 29.900 30.392 -0.492 1
1 130 . 8 1 1 A 22 22 HIS N N 22 118.700 119.716 -1.016 1
1 134 . 8 1 1 A 23 23 MET C C 23 175.900 175.374 0.526 1
1 135 . 8 1 1 A 23 23 MET CB C 23 32.700 33.364 -0.664 1
1 137 . 8 1 1 A 24 24 CYS H H 24 8.390 8.542 -0.152 1
1 138 . 8 1 1 A 24 24 CYS HA H 24 4.620 4.429 0.191 1
1 141 . 8 1 1 A 24 24 CYS C C 24 175.400 175.734 -0.334 1
1 142 . 8 1 1 A 24 24 CYS CA C 24 58.000 60.073 -2.073 1
1 143 . 8 1 1 A 24 24 CYS CB C 24 27.900 29.392 -1.492 1
1 144 . 8 1 1 A 24 24 CYS N N 24 120.600 123.884 -3.284 1
1 145 . 8 1 1 A 25 25 ILE H H 25 8.550 8.668 -0.118 1
1 146 . 8 1 1 A 25 25 ILE HA H 25 4.010 3.885 0.125 1
1 156 . 8 1 1 A 25 25 ILE C C 25 176.200 176.840 -0.640 1
1 157 . 8 1 1 A 25 25 ILE CA C 25 63.400 63.974 -0.574 1
1 158 . 8 1 1 A 25 25 ILE CB C 25 38.100 37.846 0.254 1
1 162 . 8 1 1 A 25 25 ILE N N 25 124.600 129.338 -4.738 1
1 163 . 8 1 1 A 26 26 GLN H H 26 8.860 8.177 0.683 1
1 164 . 8 1 1 A 26 26 GLN HA H 26 3.340 3.818 -0.478 1
1 171 . 8 1 1 A 26 26 GLN C C 26 176.800 178.471 -1.671 1
1 172 . 8 1 1 A 26 26 GLN CA C 26 60.200 59.196 1.004 1
1 173 . 8 1 1 A 26 26 GLN CB C 26 27.800 28.333 -0.533 1
1 175 . 8 1 1 A 26 26 GLN N N 26 121.900 121.365 0.535 1
1 177 . 8 1 1 A 27 27 LYS H H 27 7.340 7.877 -0.537 1
1 178 . 8 1 1 A 27 27 LYS HA H 27 4.070 4.100 -0.030 1
1 181 . 8 1 1 A 27 27 LYS C C 27 177.900 179.104 -1.204 1
1 182 . 8 1 1 A 27 27 LYS CA C 27 58.300 58.822 -0.522 1
1 183 . 8 1 1 A 27 27 LYS CB C 27 31.800 31.753 0.047 1
1 187 . 8 1 1 A 27 27 LYS N N 27 117.700 119.722 -2.022 1
1 188 . 8 1 1 A 28 28 VAL H H 28 7.570 8.128 -0.558 1
1 189 . 8 1 1 A 28 28 VAL HA H 28 3.680 3.624 0.056 1
1 197 . 8 1 1 A 28 28 VAL C C 28 178.600 178.380 0.220 1
1 198 . 8 1 1 A 28 28 VAL CA C 28 66.400 66.413 -0.013 1
1 199 . 8 1 1 A 28 28 VAL CB C 28 31.800 31.498 0.302 1
1 202 . 8 1 1 A 28 28 VAL N N 28 119.900 119.096 0.804 1
1 203 . 8 1 1 A 29 29 ILE H H 29 8.180 7.947 0.233 1
1 204 . 8 1 1 A 29 29 ILE HA H 29 3.290 3.484 -0.194 1
1 212 . 8 1 1 A 29 29 ILE C C 29 177.500 177.636 -0.136 1
1 213 . 8 1 1 A 29 29 ILE CA C 29 65.900 65.229 0.671 1
1 214 . 8 1 1 A 29 29 ILE CB C 29 37.600 37.431 0.169 1
1 218 . 8 1 1 A 29 29 ILE N N 29 118.500 120.541 -2.041 1
1 219 . 8 1 1 A 30 30 GLU H H 30 8.370 8.232 0.138 1
1 220 . 8 1 1 A 30 30 GLU HA H 30 3.610 3.854 -0.244 1
1 225 . 8 1 1 A 30 30 GLU C C 30 179.000 178.495 0.505 1
1 226 . 8 1 1 A 30 30 GLU CA C 30 60.400 59.681 0.719 1
1 227 . 8 1 1 A 30 30 GLU CB C 30 29.600 29.048 0.552 1
1 229 . 8 1 1 A 30 30 GLU N N 30 119.200 119.293 -0.093 1
1 230 . 8 1 1 A 31 31 ASP H H 31 8.710 8.379 0.331 1
1 231 . 8 1 1 A 31 31 ASP HA H 31 4.370 4.340 0.030 1
1 234 . 8 1 1 A 31 31 ASP CA C 31 57.600 56.814 0.786 1
1 235 . 8 1 1 A 31 31 ASP CB C 31 40.200 40.603 -0.403 1
1 236 . 8 1 1 A 31 31 ASP N N 31 125.100 120.181 4.919 1
1 237 . 8 1 1 A 32 32 LYS H H 32 8.430 7.928 0.502 1
1 238 . 8 1 1 A 32 32 LYS HA H 32 4.030 4.028 0.002 1
1 243 . 8 1 1 A 32 32 LYS C C 32 180.300 179.437 0.863 1
1 244 . 8 1 1 A 32 32 LYS CA C 32 60.400 59.628 0.772 1
1 245 . 8 1 1 A 32 32 LYS CB C 32 33.100 32.125 0.975 1
1 248 . 8 1 1 A 32 32 LYS N N 32 120.700 119.358 1.342 1
1 249 . 8 1 1 A 33 33 LEU H H 33 8.580 7.690 0.890 1
1 250 . 8 1 1 A 33 33 LEU HA H 33 4.000 4.018 -0.018 1
1 260 . 8 1 1 A 33 33 LEU C C 33 179.200 178.819 0.381 1
1 261 . 8 1 1 A 33 33 LEU CA C 33 58.000 57.741 0.259 1
1 262 . 8 1 1 A 33 33 LEU CB C 33 42.500 41.096 1.404 1
1 266 . 8 1 1 A 33 33 LEU N N 33 117.200 119.548 -2.348 1
1 267 . 8 1 1 A 34 34 SER H H 34 8.670 7.792 0.878 1
1 268 . 8 1 1 A 34 34 SER HA H 34 4.100 4.149 -0.049 1
1 271 . 8 1 1 A 34 34 SER C C 34 176.900 177.264 -0.364 1
1 272 . 8 1 1 A 34 34 SER CA C 34 62.500 61.446 1.054 1
1 273 . 8 1 1 A 34 34 SER CB C 34 62.500 62.798 -0.298 1
1 274 . 8 1 1 A 34 34 SER N N 34 115.500 115.440 0.060 1
1 275 . 8 1 1 A 35 35 SER H H 35 8.080 8.255 -0.175 1
1 276 . 8 1 1 A 35 35 SER HA H 35 4.200 4.217 -0.017 1
1 279 . 8 1 1 A 35 35 SER C C 35 175.900 175.725 0.175 1
1 280 . 8 1 1 A 35 35 SER CA C 35 60.900 61.387 -0.487 1
1 281 . 8 1 1 A 35 35 SER CB C 35 62.900 63.238 -0.338 1
1 282 . 8 1 1 A 35 35 SER N N 35 115.300 116.613 -1.313 1
1 283 . 8 1 1 A 36 36 ALA H H 36 7.570 7.263 0.307 1
1 284 . 8 1 1 A 36 36 ALA HA H 36 4.340 4.290 0.050 1
1 288 . 8 1 1 A 36 36 ALA C C 36 179.200 179.431 -0.231 1
1 289 . 8 1 1 A 36 36 ALA CA C 36 54.300 54.235 0.065 1
1 290 . 8 1 1 A 36 36 ALA CB C 36 20.900 18.999 1.901 1
1 291 . 8 1 1 A 36 36 ALA N N 36 119.000 123.258 -4.258 1
1 292 . 8 1 1 A 37 37 LEU H H 37 7.960 8.114 -0.154 1
1 293 . 8 1 1 A 37 37 LEU HA H 37 4.530 4.330 0.200 1
1 303 . 8 1 1 A 37 37 LEU CA C 37 53.500 54.754 -1.254 1
1 304 . 8 1 1 A 37 37 LEU CB C 37 42.600 42.547 0.053 1
1 308 . 8 1 1 A 37 37 LEU N N 37 111.800 115.249 -3.449 1
1 309 . 8 1 1 A 38 38 LYS H H 38 7.600 7.953 -0.353 1
1 310 . 8 1 1 A 38 38 LYS HA H 38 4.250 4.311 -0.061 1
1 313 . 8 1 1 A 38 38 LYS CA C 38 56.200 57.183 -0.983 1
1 314 . 8 1 1 A 38 38 LYS CB C 38 30.800 30.998 -0.198 1
1 315 . 8 1 1 A 38 38 LYS N N 38 117.200 119.407 -2.207 1
1 316 . 8 1 1 A 39 39 PRO HA H 39 4.670 4.637 0.033 1
1 323 . 8 1 1 A 39 39 PRO C C 39 178.100 177.733 0.367 1
1 324 . 8 1 1 A 39 39 PRO CA C 39 63.300 61.993 1.307 1
1 325 . 8 1 1 A 39 39 PRO CB C 39 32.700 32.575 0.125 1
1 328 . 8 1 1 A 40 40 THR H H 40 8.500 8.599 -0.099 1
1 329 . 8 1 1 A 40 40 THR HA H 40 4.290 4.194 0.096 1
1 334 . 8 1 1 A 40 40 THR C C 40 175.700 174.611 1.089 1
1 335 . 8 1 1 A 40 40 THR CA C 40 63.200 63.736 -0.536 1
1 336 . 8 1 1 A 40 40 THR CB C 40 67.600 69.251 -1.651 1
1 338 . 8 1 1 A 40 40 THR N N 40 114.500 113.124 1.376 1
1 339 . 8 1 1 A 41 41 PHE H H 41 7.300 7.377 -0.077 1
1 340 . 8 1 1 A 41 41 PHE HA H 41 4.510 4.724 -0.214 1
1 347 . 8 1 1 A 41 41 PHE C C 41 171.500 172.841 -1.341 1
1 348 . 8 1 1 A 41 41 PHE CA C 41 58.800 56.956 1.844 1
1 349 . 8 1 1 A 41 41 PHE CB C 41 41.000 42.291 -1.291 1
1 354 . 8 1 1 A 41 41 PHE N N 41 121.100 121.150 -0.050 1
1 355 . 8 1 1 A 42 42 LEU H H 42 7.530 8.347 -0.817 1
1 356 . 8 1 1 A 42 42 LEU HA H 42 4.910 4.731 0.179 1
1 366 . 8 1 1 A 42 42 LEU C C 42 173.700 173.542 0.158 1
1 367 . 8 1 1 A 42 42 LEU CA C 42 53.500 53.778 -0.278 1
1 368 . 8 1 1 A 42 42 LEU CB C 42 45.300 45.456 -0.156 1
1 372 . 8 1 1 A 42 42 LEU N N 42 129.100 128.342 0.758 1
1 373 . 8 1 1 A 43 43 GLU H H 43 8.690 9.026 -0.336 1
1 374 . 8 1 1 A 43 43 GLU HA H 43 4.400 4.826 -0.426 1
1 379 . 8 1 1 A 43 43 GLU C C 43 173.500 174.798 -1.298 1
1 380 . 8 1 1 A 43 43 GLU CA C 43 55.800 54.676 1.124 1
1 381 . 8 1 1 A 43 43 GLU CB C 43 34.100 32.032 2.068 1
1 383 . 8 1 1 A 43 43 GLU N N 43 126.900 128.409 -1.509 1
1 384 . 8 1 1 A 44 44 LEU H H 44 9.000 9.057 -0.057 1
1 385 . 8 1 1 A 44 44 LEU HA H 44 5.130 4.979 0.151 1
1 395 . 8 1 1 A 44 44 LEU C C 44 175.100 176.156 -1.056 1
1 396 . 8 1 1 A 44 44 LEU CA C 44 53.700 53.303 0.397 1
1 397 . 8 1 1 A 44 44 LEU CB C 44 44.600 42.035 2.565 1
1 401 . 8 1 1 A 44 44 LEU N N 44 129.900 128.802 1.098 1
1 402 . 8 1 1 A 45 45 VAL H H 45 9.000 9.469 -0.469 1
1 403 . 8 1 1 A 45 45 VAL HA H 45 4.370 4.562 -0.192 1
1 411 . 8 1 1 A 45 45 VAL C C 45 175.100 174.777 0.323 1
1 412 . 8 1 1 A 45 45 VAL CA C 45 61.200 60.923 0.277 1
1 413 . 8 1 1 A 45 45 VAL CB C 45 35.400 34.569 0.831 1
1 416 . 8 1 1 A 45 45 VAL N N 45 122.300 125.334 -3.034 1
1 417 . 8 1 1 A 46 46 ASP H H 46 9.080 8.755 0.325 1
1 418 . 8 1 1 A 46 46 ASP HA H 46 4.530 4.553 -0.023 1
1 421 . 8 1 1 A 46 46 ASP C C 46 176.900 176.781 0.119 1
1 422 . 8 1 1 A 46 46 ASP CA C 46 53.900 53.485 0.415 1
1 423 . 8 1 1 A 46 46 ASP CB C 46 40.600 40.379 0.221 1
1 424 . 8 1 1 A 46 46 ASP N N 46 127.400 126.711 0.689 1
1 425 . 8 1 1 A 47 47 LYS H H 47 8.490 8.943 -0.453 1
1 426 . 8 1 1 A 47 47 LYS HA H 47 4.560 4.519 0.041 1
1 427 . 8 1 1 A 47 47 LYS CA C 47 54.200 55.598 -1.398 1
1 428 . 8 1 1 A 47 47 LYS CB C 47 30.400 32.729 -2.329 1
1 429 . 8 1 1 A 47 47 LYS N N 47 129.500 128.507 0.993 1
1 430 . 8 1 1 A 54 54 SER HA H 54 5.550 5.497 0.053 1
1 433 . 8 1 1 A 54 54 SER C C 54 172.900 172.566 0.334 1
1 434 . 8 1 1 A 54 54 SER CA C 54 57.300 56.669 0.631 1
1 435 . 8 1 1 A 54 54 SER CB C 54 65.800 65.763 0.037 1
1 436 . 8 1 1 A 55 55 PHE H H 55 8.340 9.111 -0.771 1
1 437 . 8 1 1 A 55 55 PHE HA H 55 5.700 5.154 0.546 1
1 442 . 8 1 1 A 55 55 PHE C C 55 174.400 173.784 0.616 1
1 443 . 8 1 1 A 55 55 PHE CA C 55 56.700 56.269 0.431 1
1 444 . 8 1 1 A 55 55 PHE CB C 55 45.300 41.817 3.483 1
1 447 . 8 1 1 A 55 55 PHE N N 55 119.600 121.124 -1.524 1
1 448 . 8 1 1 A 56 56 ASP H H 56 8.840 9.038 -0.198 1
1 449 . 8 1 1 A 56 56 ASP HA H 56 5.350 5.418 -0.068 1
1 452 . 8 1 1 A 56 56 ASP C C 56 174.400 174.430 -0.030 1
1 453 . 8 1 1 A 56 56 ASP CA C 56 52.900 52.527 0.373 1
1 454 . 8 1 1 A 56 56 ASP CB C 56 43.700 43.618 0.082 1
1 455 . 8 1 1 A 56 56 ASP N N 56 121.500 123.530 -2.030 1
1 456 . 8 1 1 A 57 57 ALA H H 57 8.780 8.894 -0.114 1
1 457 . 8 1 1 A 57 57 ALA HA H 57 5.620 5.273 0.347 1
1 461 . 8 1 1 A 57 57 ALA C C 57 176.400 175.478 0.922 1
1 462 . 8 1 1 A 57 57 ALA CA C 57 50.200 50.098 0.102 1
1 463 . 8 1 1 A 57 57 ALA CB C 57 23.600 21.119 2.481 1
1 464 . 8 1 1 A 57 57 ALA N N 57 125.000 129.152 -4.152 1
1 465 . 8 1 1 A 58 58 VAL H H 58 9.080 9.122 -0.042 1
1 466 . 8 1 1 A 58 58 VAL HA H 58 4.580 4.291 0.289 1
1 474 . 8 1 1 A 58 58 VAL C C 58 175.000 175.910 -0.910 1
1 475 . 8 1 1 A 58 58 VAL CA C 58 62.800 62.176 0.624 1
1 476 . 8 1 1 A 58 58 VAL CB C 58 34.100 31.805 2.295 1
1 479 . 8 1 1 A 58 58 VAL N N 58 125.100 123.421 1.679 1
1 480 . 8 1 1 A 59 59 ILE H H 59 8.750 8.756 -0.006 1
1 481 . 8 1 1 A 59 59 ILE HA H 59 4.430 4.921 -0.491 1
1 489 . 8 1 1 A 59 59 ILE C C 59 173.900 174.782 -0.882 1
1 490 . 8 1 1 A 59 59 ILE CA C 59 60.900 59.404 1.496 1
1 491 . 8 1 1 A 59 59 ILE CB C 59 41.100 39.391 1.709 1
1 495 . 8 1 1 A 59 59 ILE N N 59 125.000 124.320 0.680 1
1 496 . 8 1 1 A 60 60 VAL H H 60 8.540 8.779 -0.239 1
1 497 . 8 1 1 A 60 60 VAL HA H 60 5.540 4.924 0.616 1
1 505 . 8 1 1 A 60 60 VAL C C 60 175.900 174.633 1.267 1
1 506 . 8 1 1 A 60 60 VAL CA C 60 60.200 61.615 -1.415 1
1 507 . 8 1 1 A 60 60 VAL CB C 60 31.800 33.100 -1.300 1
1 510 . 8 1 1 A 60 60 VAL N N 60 128.600 124.244 4.356 1
1 511 . 8 1 1 A 61 61 SER H H 61 8.720 8.592 0.128 1
1 512 . 8 1 1 A 61 61 SER HA H 61 5.000 5.252 -0.252 1
1 515 . 8 1 1 A 61 61 SER C C 61 175.700 174.358 1.342 1
1 516 . 8 1 1 A 61 61 SER CA C 61 56.500 56.414 0.086 1
1 517 . 8 1 1 A 61 61 SER CB C 61 64.400 65.406 -1.006 1
1 518 . 8 1 1 A 61 61 SER N N 61 115.900 121.868 -5.968 1
1 519 . 8 1 1 A 62 62 ASN H H 62 9.650 9.282 0.368 1
1 520 . 8 1 1 A 62 62 ASN HA H 62 4.670 4.507 0.163 1
1 525 . 8 1 1 A 62 62 ASN CA C 62 56.500 55.657 0.843 1
1 526 . 8 1 1 A 62 62 ASN CB C 62 38.600 38.073 0.527 1
1 528 . 8 1 1 A 62 62 ASN N N 62 129.400 125.963 3.437 1
1 530 . 8 1 1 A 63 63 ASN H H 63 8.920 8.308 0.612 1
1 531 . 8 1 1 A 63 63 ASN HA H 63 4.490 4.482 0.008 1
1 536 . 8 1 1 A 63 63 ASN C C 63 175.200 177.271 -2.071 1
1 537 . 8 1 1 A 63 63 ASN CA C 63 55.700 56.312 -0.612 1
1 538 . 8 1 1 A 63 63 ASN CB C 63 37.600 39.359 -1.759 1
1 539 . 8 1 1 A 63 63 ASN N N 63 119.500 118.207 1.293 1
1 541 . 8 1 1 A 64 64 PHE H H 64 6.950 8.002 -1.052 1
1 542 . 8 1 1 A 64 64 PHE HA H 64 4.690 4.417 0.273 1
1 545 . 8 1 1 A 64 64 PHE C C 64 174.200 176.624 -2.424 1
1 546 . 8 1 1 A 64 64 PHE CA C 64 54.900 59.709 -4.809 1
1 547 . 8 1 1 A 64 64 PHE CB C 64 37.500 39.440 -1.940 1
1 548 . 8 1 1 A 64 64 PHE N N 64 113.700 119.804 -6.104 1
1 549 . 8 1 1 A 65 65 GLU H H 65 7.470 8.697 -1.227 1
1 550 . 8 1 1 A 65 65 GLU HA H 65 4.010 4.096 -0.086 1
1 555 . 8 1 1 A 65 65 GLU C C 65 174.800 178.146 -3.346 1
1 556 . 8 1 1 A 65 65 GLU CA C 65 58.400 58.135 0.265 1
1 557 . 8 1 1 A 65 65 GLU CB C 65 29.700 27.876 1.824 1
1 559 . 8 1 1 A 65 65 GLU N N 65 120.500 117.716 2.784 1
1 560 . 8 1 1 A 66 66 ASP H H 66 9.010 7.662 1.348 1
1 561 . 8 1 1 A 66 66 ASP HA H 66 4.390 4.637 -0.247 1
1 564 . 8 1 1 A 66 66 ASP C C 66 175.000 175.519 -0.519 1
1 565 . 8 1 1 A 66 66 ASP CA C 66 55.800 54.737 1.063 1
1 566 . 8 1 1 A 66 66 ASP CB C 66 39.800 41.339 -1.539 1
1 567 . 8 1 1 A 66 66 ASP N N 66 119.200 121.123 -1.923 1
1 568 . 8 1 1 A 67 67 LYS H H 67 7.800 7.543 0.257 1
1 569 . 8 1 1 A 67 67 LYS C C 67 177.400 175.344 2.056 1
1 570 . 8 1 1 A 67 67 LYS CA C 67 54.700 56.917 -2.217 1
1 571 . 8 1 1 A 67 67 LYS CB C 67 38.400 29.067 9.333 1
1 575 . 8 1 1 A 67 67 LYS N N 67 117.200 116.781 0.419 1
1 576 . 8 1 1 A 68 68 LYS H H 68 9.340 7.922 1.418 1
1 577 . 8 1 1 A 68 68 LYS HA H 68 4.400 4.467 -0.067 1
1 586 . 8 1 1 A 68 68 LYS C C 68 177.500 176.608 0.892 1
1 587 . 8 1 1 A 68 68 LYS CA C 68 55.900 55.221 0.679 1
1 588 . 8 1 1 A 68 68 LYS CB C 68 32.700 31.255 1.445 1
1 592 . 8 1 1 A 68 68 LYS N N 68 125.800 119.510 6.290 1
1 593 . 8 1 1 A 69 69 LEU H H 69 8.710 8.196 0.514 1
1 594 . 8 1 1 A 69 69 LEU HA H 69 3.630 4.330 -0.700 1
1 603 . 8 1 1 A 69 69 LEU C C 69 178.400 178.268 0.132 1
1 604 . 8 1 1 A 69 69 LEU CA C 69 60.300 58.121 2.179 1
1 605 . 8 1 1 A 69 69 LEU CB C 69 41.600 41.944 -0.344 1
1 608 . 8 1 1 A 69 69 LEU N N 69 124.300 126.504 -2.204 1
1 609 . 8 1 1 A 70 70 LEU H H 70 8.700 8.042 0.658 1
1 610 . 8 1 1 A 70 70 LEU HA H 70 3.930 4.003 -0.073 1
1 620 . 8 1 1 A 70 70 LEU C C 70 179.400 178.978 0.422 1
1 621 . 8 1 1 A 70 70 LEU CA C 70 58.200 58.093 0.107 1
1 622 . 8 1 1 A 70 70 LEU CB C 70 41.700 41.150 0.550 1
1 626 . 8 1 1 A 70 70 LEU N N 70 116.100 117.966 -1.866 1
1 627 . 8 1 1 A 71 71 ASP H H 71 7.130 8.134 -1.004 1
1 628 . 8 1 1 A 71 71 ASP HA H 71 4.660 4.414 0.246 1
1 631 . 8 1 1 A 71 71 ASP C C 71 179.000 178.937 0.063 1
1 632 . 8 1 1 A 71 71 ASP CA C 71 57.100 57.031 0.069 1
1 633 . 8 1 1 A 71 71 ASP CB C 71 40.800 40.610 0.190 1
1 634 . 8 1 1 A 71 71 ASP N N 71 117.600 119.977 -2.377 1
1 635 . 8 1 1 A 72 72 ARG H H 72 8.190 8.251 -0.061 1
1 636 . 8 1 1 A 72 72 ARG HA H 72 3.930 4.141 -0.211 1
1 637 . 8 1 1 A 72 72 ARG C C 72 177.000 178.492 -1.492 1
1 638 . 8 1 1 A 72 72 ARG CA C 72 60.100 58.684 1.416 1
1 639 . 8 1 1 A 72 72 ARG CB C 72 29.300 29.924 -0.624 1
1 642 . 8 1 1 A 72 72 ARG N N 72 122.200 118.289 3.911 1
1 643 . 8 1 1 A 73 73 HIS H H 73 8.030 8.172 -0.142 1
1 644 . 8 1 1 A 73 73 HIS HA H 73 4.100 4.222 -0.122 1
1 648 . 8 1 1 A 73 73 HIS C C 73 177.300 176.815 0.485 1
1 649 . 8 1 1 A 73 73 HIS CA C 73 58.100 59.918 -1.818 1
1 650 . 8 1 1 A 73 73 HIS CB C 73 30.200 30.320 -0.120 1
1 652 . 8 1 1 A 73 73 HIS N N 73 116.800 120.239 -3.439 1
1 653 . 8 1 1 A 74 74 ARG H H 74 8.290 8.114 0.176 1
1 654 . 8 1 1 A 74 74 ARG HA H 74 4.080 3.959 0.121 1
1 661 . 8 1 1 A 74 74 ARG C C 74 178.700 178.736 -0.036 1
1 662 . 8 1 1 A 74 74 ARG CA C 74 59.700 58.883 0.817 1
1 663 . 8 1 1 A 74 74 ARG CB C 74 30.400 30.216 0.184 1
1 666 . 8 1 1 A 74 74 ARG N N 74 118.200 118.630 -0.430 1
1 667 . 8 1 1 A 75 75 LEU H H 75 7.740 8.261 -0.521 1
1 668 . 8 1 1 A 75 75 LEU HA H 75 4.270 3.995 0.275 1
1 678 . 8 1 1 A 75 75 LEU CA C 75 58.300 57.999 0.301 1
1 679 . 8 1 1 A 75 75 LEU CB C 75 42.000 42.114 -0.114 1
1 683 . 8 1 1 A 75 75 LEU N N 75 121.200 121.211 -0.011 1
1 684 . 8 1 1 A 76 76 VAL H H 76 7.590 7.836 -0.246 1
1 685 . 8 1 1 A 76 76 VAL HA H 76 3.360 3.458 -0.098 1
1 693 . 8 1 1 A 76 76 VAL C C 76 176.800 177.094 -0.294 1
1 694 . 8 1 1 A 76 76 VAL CA C 76 67.500 66.919 0.581 1
1 695 . 8 1 1 A 76 76 VAL CB C 76 31.500 31.029 0.471 1
1 698 . 8 1 1 A 76 76 VAL N N 76 119.300 117.433 1.867 1
1 699 . 8 1 1 A 77 77 ASN H H 77 8.690 7.909 0.781 1
1 700 . 8 1 1 A 77 77 ASN HA H 77 4.190 4.454 -0.264 1
1 705 . 8 1 1 A 77 77 ASN C C 77 178.000 177.977 0.023 1
1 706 . 8 1 1 A 77 77 ASN CA C 77 55.400 56.278 -0.878 1
1 707 . 8 1 1 A 77 77 ASN CB C 77 37.600 38.289 -0.689 1
1 708 . 8 1 1 A 77 77 ASN N N 77 117.100 119.068 -1.968 1
1 710 . 8 1 1 A 78 78 THR H H 78 8.050 7.824 0.226 1
1 711 . 8 1 1 A 78 78 THR HA H 78 3.970 4.037 -0.067 1
1 716 . 8 1 1 A 78 78 THR C C 78 176.900 176.057 0.843 1
1 717 . 8 1 1 A 78 78 THR CA C 78 66.700 66.815 -0.115 1
1 718 . 8 1 1 A 78 78 THR CB C 78 68.800 68.037 0.763 1
1 720 . 8 1 1 A 78 78 THR N N 78 116.300 116.720 -0.420 1
1 721 . 8 1 1 A 79 79 ILE H H 79 8.020 7.426 0.594 1
1 722 . 8 1 1 A 79 79 ILE HA H 79 3.670 3.900 -0.230 1
1 730 . 8 1 1 A 79 79 ILE CA C 79 65.000 63.486 1.514 1
1 731 . 8 1 1 A 79 79 ILE CB C 79 38.500 38.072 0.428 1
1 734 . 8 1 1 A 79 79 ILE N N 79 124.800 120.344 4.456 1
1 735 . 8 1 1 A 80 80 LEU H H 80 7.770 8.246 -0.476 1
1 745 . 8 1 1 A 80 80 LEU C C 80 176.000 178.891 -2.891 1
1 746 . 8 1 1 A 80 80 LEU CA C 80 52.900 56.139 -3.239 1
1 747 . 8 1 1 A 80 80 LEU CB C 80 41.100 41.136 -0.036 1
1 751 . 8 1 1 A 80 80 LEU N N 80 115.200 119.144 -3.944 1
1 752 . 8 1 1 A 81 81 LYS H H 81 6.880 7.818 -0.938 1
1 753 . 8 1 1 A 81 81 LYS HA H 81 3.820 3.835 -0.015 1
1 762 . 8 1 1 A 81 81 LYS C C 81 178.400 178.873 -0.473 1
1 763 . 8 1 1 A 81 81 LYS CA C 81 60.700 59.845 0.855 1
1 764 . 8 1 1 A 81 81 LYS CB C 81 32.800 32.537 0.263 1
1 768 . 8 1 1 A 81 81 LYS N N 81 120.300 121.243 -0.943 1
1 769 . 8 1 1 A 82 82 GLU H H 82 8.620 8.063 0.557 1
1 770 . 8 1 1 A 82 82 GLU HA H 82 4.020 4.066 -0.046 1
1 773 . 8 1 1 A 82 82 GLU C C 82 178.500 179.338 -0.838 1
1 774 . 8 1 1 A 82 82 GLU CA C 82 59.000 59.318 -0.318 1
1 775 . 8 1 1 A 82 82 GLU CB C 82 28.700 28.862 -0.162 1
1 777 . 8 1 1 A 82 82 GLU N N 82 116.700 118.247 -1.547 1
1 778 . 8 1 1 A 83 83 GLU H H 83 8.070 7.751 0.319 1
1 779 . 8 1 1 A 83 83 GLU HA H 83 3.980 3.896 0.084 1
1 784 . 8 1 1 A 83 83 GLU C C 83 179.300 178.942 0.358 1
1 785 . 8 1 1 A 83 83 GLU CA C 83 60.900 59.096 1.804 1
1 786 . 8 1 1 A 83 83 GLU CB C 83 28.900 29.066 -0.166 1
1 788 . 8 1 1 A 83 83 GLU N N 83 120.300 120.590 -0.290 1
1 789 . 8 1 1 A 84 84 LEU H H 84 8.480 8.424 0.056 1
1 790 . 8 1 1 A 84 84 LEU HA H 84 3.910 3.943 -0.033 1
1 800 . 8 1 1 A 84 84 LEU C C 84 178.200 179.186 -0.986 1
1 801 . 8 1 1 A 84 84 LEU CA C 84 57.000 58.061 -1.061 1
1 802 . 8 1 1 A 84 84 LEU CB C 84 40.800 41.351 -0.551 1
1 806 . 8 1 1 A 84 84 LEU N N 84 116.700 120.271 -3.571 1
1 807 . 8 1 1 A 85 85 GLN H H 85 7.130 7.681 -0.551 1
1 808 . 8 1 1 A 85 85 GLN HA H 85 4.140 4.044 0.096 1
1 815 . 8 1 1 A 85 85 GLN C C 85 176.300 177.193 -0.893 1
1 816 . 8 1 1 A 85 85 GLN CA C 85 57.900 58.546 -0.646 1
1 817 . 8 1 1 A 85 85 GLN CB C 85 28.900 28.483 0.417 1
1 819 . 8 1 1 A 85 85 GLN N N 85 115.400 116.284 -0.884 1
1 821 . 8 1 1 A 86 86 ASN H H 86 7.630 8.069 -0.439 1
1 822 . 8 1 1 A 86 86 ASN HA H 86 5.020 4.859 0.161 1
1 827 . 8 1 1 A 86 86 ASN C C 86 174.100 174.934 -0.834 1
1 828 . 8 1 1 A 86 86 ASN CA C 86 52.800 54.162 -1.362 1
1 829 . 8 1 1 A 86 86 ASN CB C 86 40.400 39.861 0.539 1
1 830 . 8 1 1 A 86 86 ASN N N 86 114.000 115.823 -1.823 1
1 832 . 8 1 1 A 87 87 ILE H H 87 7.300 7.598 -0.298 1
1 833 . 8 1 1 A 87 87 ILE HA H 87 4.320 4.581 -0.261 1
1 843 . 8 1 1 A 87 87 ILE C C 87 174.500 176.079 -1.579 1
1 844 . 8 1 1 A 87 87 ILE CA C 87 60.400 59.858 0.542 1
1 845 . 8 1 1 A 87 87 ILE CB C 87 40.600 40.163 0.437 1
1 849 . 8 1 1 A 87 87 ILE N N 87 119.300 120.097 -0.797 1
1 850 . 8 1 1 A 88 88 HIS H H 88 9.140 8.925 0.215 1
1 851 . 8 1 1 A 88 88 HIS HA H 88 4.680 4.381 0.299 1
1 855 . 8 1 1 A 88 88 HIS CA C 88 57.300 59.445 -2.145 1
1 856 . 8 1 1 A 88 88 HIS CB C 88 30.200 30.406 -0.206 1
1 858 . 8 1 1 A 88 88 HIS N N 88 125.000 127.207 -2.207 1
1 859 . 8 1 1 A 89 89 ALA H H 89 7.600 7.935 -0.335 1
1 860 . 8 1 1 A 89 89 ALA HA H 89 4.620 4.628 -0.008 1
1 864 . 8 1 1 A 89 89 ALA C C 89 174.300 175.596 -1.296 1
1 865 . 8 1 1 A 89 89 ALA CA C 89 52.300 51.472 0.828 1
1 866 . 8 1 1 A 89 89 ALA CB C 89 21.300 20.460 0.840 1
1 867 . 8 1 1 A 89 89 ALA N N 89 120.100 119.049 1.051 1
1 868 . 8 1 1 A 90 90 PHE H H 90 8.830 9.323 -0.493 1
1 869 . 8 1 1 A 90 90 PHE HA H 90 5.220 5.410 -0.190 1
1 877 . 8 1 1 A 90 90 PHE C C 90 173.700 173.793 -0.093 1
1 878 . 8 1 1 A 90 90 PHE CA C 90 57.200 56.728 0.472 1
1 879 . 8 1 1 A 90 90 PHE CB C 90 42.000 42.158 -0.158 1
1 885 . 8 1 1 A 90 90 PHE N N 90 126.100 127.322 -1.222 1
1 886 . 8 1 1 A 91 91 SER H H 91 8.320 8.562 -0.242 1
1 887 . 8 1 1 A 91 91 SER HA H 91 4.730 5.204 -0.474 1
1 891 . 8 1 1 A 91 91 SER C C 91 172.600 172.900 -0.300 1
1 892 . 8 1 1 A 91 91 SER CA C 91 56.500 56.789 -0.289 1
1 893 . 8 1 1 A 91 91 SER CB C 91 64.100 65.823 -1.723 1
1 894 . 8 1 1 A 91 91 SER N N 91 123.100 123.412 -0.312 1
1 895 . 8 1 1 A 92 92 MET H H 92 8.660 9.071 -0.411 1
1 896 . 8 1 1 A 92 92 MET HA H 92 5.490 5.320 0.170 1
1 901 . 8 1 1 A 92 92 MET C C 92 174.300 174.827 -0.527 1
1 902 . 8 1 1 A 92 92 MET CA C 92 53.600 53.227 0.373 1
1 903 . 8 1 1 A 92 92 MET CB C 92 37.500 35.186 2.314 1
1 906 . 8 1 1 A 92 92 MET N N 92 119.600 121.334 -1.734 1
1 907 . 8 1 1 A 93 93 LYS H H 93 8.190 9.075 -0.885 1
1 908 . 8 1 1 A 93 93 LYS HA H 93 4.450 4.751 -0.301 1
1 917 . 8 1 1 A 93 93 LYS C C 93 174.400 174.733 -0.333 1
1 918 . 8 1 1 A 93 93 LYS CA C 93 55.400 54.847 0.553 1
1 919 . 8 1 1 A 93 93 LYS CB C 93 34.700 33.538 1.162 1
1 923 . 8 1 1 A 93 93 LYS N N 93 122.700 122.055 0.645 1
1 924 . 8 1 1 A 94 94 CYS H H 94 8.340 8.689 -0.349 1
1 925 . 8 1 1 A 94 94 CYS HA H 94 4.960 4.786 0.174 1
1 928 . 8 1 1 A 94 94 CYS C C 94 173.600 174.409 -0.809 1
1 929 . 8 1 1 A 94 94 CYS CA C 94 56.600 58.199 -1.599 1
1 930 . 8 1 1 A 94 94 CYS CB C 94 29.800 27.701 2.099 1
1 931 . 8 1 1 A 94 94 CYS N N 94 120.300 125.107 -4.807 1
1 932 . 8 1 1 A 95 95 HIS H H 95 9.040 9.004 0.036 1
1 933 . 8 1 1 A 95 95 HIS HA H 95 5.440 5.389 0.051 1
1 936 . 8 1 1 A 95 95 HIS C C 95 175.700 174.285 1.415 1
1 937 . 8 1 1 A 95 95 HIS CA C 95 53.600 54.471 -0.871 1
1 938 . 8 1 1 A 95 95 HIS CB C 95 35.300 33.765 1.535 1
1 939 . 8 1 1 A 95 95 HIS N N 95 122.000 123.514 -1.514 1
1 940 . 8 1 1 A 96 96 THR H H 96 8.910 8.560 0.350 1
1 941 . 8 1 1 A 96 96 THR HA H 96 5.150 5.016 0.134 1
1 945 . 8 1 1 A 96 96 THR CA C 96 60.100 58.319 1.781 1
1 946 . 8 1 1 A 96 96 THR CB C 96 67.600 69.861 -2.261 1
1 948 . 8 1 1 A 96 96 THR N N 96 113.600 112.214 1.386 1
1 949 . 8 1 1 A 97 97 PRO HA H 97 4.060 4.450 -0.390 1
1 956 . 8 1 1 A 97 97 PRO C C 97 178.600 177.705 0.895 1
1 957 . 8 1 1 A 97 97 PRO CA C 97 66.600 65.707 0.893 1
1 958 . 8 1 1 A 97 97 PRO CB C 97 31.600 31.730 -0.130 1
1 961 . 8 1 1 A 98 98 LEU H H 98 8.410 7.900 0.510 1
1 962 . 8 1 1 A 98 98 LEU HA H 98 4.230 4.106 0.124 1
1 971 . 8 1 1 A 98 98 LEU C C 98 179.800 178.692 1.108 1
1 972 . 8 1 1 A 98 98 LEU CA C 98 58.200 57.773 0.427 1
1 973 . 8 1 1 A 98 98 LEU CB C 98 42.000 41.581 0.419 1
1 976 . 8 1 1 A 98 98 LEU N N 98 118.300 117.897 0.403 1
1 977 . 8 1 1 A 99 99 GLU H H 99 7.660 8.233 -0.573 1
1 978 . 8 1 1 A 99 99 GLU HA H 99 3.900 3.951 -0.051 1
1 983 . 8 1 1 A 99 99 GLU C C 99 180.200 178.780 1.420 1
1 984 . 8 1 1 A 99 99 GLU CA C 99 58.400 59.688 -1.288 1
1 985 . 8 1 1 A 99 99 GLU CB C 99 30.400 29.254 1.146 1
1 987 . 8 1 1 A 99 99 GLU N N 99 118.100 118.001 0.099 1
1 988 . 8 1 1 A 100 100 TYR H H 100 8.770 8.299 0.471 1
1 989 . 8 1 1 A 100 100 TYR HA H 100 3.860 4.204 -0.344 1
1 996 . 8 1 1 A 100 100 TYR C C 100 176.800 177.586 -0.786 1
1 997 . 8 1 1 A 100 100 TYR CA C 100 60.800 61.444 -0.644 1
1 998 . 8 1 1 A 100 100 TYR CB C 100 39.200 38.559 0.641 1
1 1003 . 8 1 1 A 100 100 TYR N N 100 120.100 121.449 -1.349 1
1 1004 . 8 1 1 A 101 101 ASP H H 101 8.100 8.455 -0.355 1
1 1005 . 8 1 1 A 101 101 ASP HA H 101 4.180 4.143 0.037 1
1 1008 . 8 1 1 A 101 101 ASP C C 101 178.700 178.352 0.348 1
1 1009 . 8 1 1 A 101 101 ASP CA C 101 57.300 57.428 -0.128 1
1 1010 . 8 1 1 A 101 101 ASP CB C 101 40.800 41.898 -1.098 1
1 1011 . 8 1 1 A 101 101 ASP N N 101 118.400 119.031 -0.631 1
1 1012 . 8 1 1 A 102 102 LYS H H 102 7.480 7.706 -0.226 1
1 1013 . 8 1 1 A 102 102 LYS HA H 102 4.070 4.053 0.017 1
1 1020 . 8 1 1 A 102 102 LYS CA C 102 58.300 59.105 -0.805 1
1 1021 . 8 1 1 A 102 102 LYS CB C 102 32.300 32.512 -0.212 1
1 1024 . 8 1 1 A 102 102 LYS N N 102 117.500 119.582 -2.082 1
1 1025 . 8 1 1 A 103 103 LEU H H 103 7.580 8.324 -0.744 1
1 1026 . 8 1 1 A 103 103 LEU HA H 103 4.050 3.889 0.161 1
1 1036 . 8 1 1 A 103 103 LEU C C 103 178.700 179.366 -0.666 1
1 1037 . 8 1 1 A 103 103 LEU CA C 103 56.800 57.910 -1.110 1
1 1038 . 8 1 1 A 103 103 LEU CB C 103 42.000 41.422 0.578 1
1 1042 . 8 1 1 A 103 103 LEU N N 103 120.100 120.234 -0.134 1
1 1043 . 8 1 1 A 104 104 LYS H H 104 7.730 8.387 -0.657 1
1 1044 . 8 1 1 A 104 104 LYS HA H 104 3.960 3.868 0.092 1
1 1053 . 8 1 1 A 104 104 LYS CA C 104 56.700 58.715 -2.015 1
1 1054 . 8 1 1 A 104 104 LYS CB C 104 31.700 31.512 0.188 1
1 1058 . 8 1 1 A 104 104 LYS N N 104 118.500 118.347 0.153 1
1 1059 . 8 1 1 A 105 105 SER H H 105 7.790 7.752 0.038 1
1 1060 . 8 1 1 A 105 105 SER HA H 105 4.330 4.269 0.061 1
1 1063 . 8 1 1 A 105 105 SER C C 105 174.700 175.241 -0.541 1
1 1064 . 8 1 1 A 105 105 SER CA C 105 58.900 60.968 -2.068 1
1 1065 . 8 1 1 A 105 105 SER CB C 105 63.500 63.577 -0.077 1
1 1066 . 8 1 1 A 105 105 SER N N 105 114.900 114.672 0.228 1
1 1067 . 8 1 1 A 106 106 LYS H H 106 8.000 7.946 0.054 1
1 1068 . 8 1 1 A 106 106 LYS HA H 106 4.300 4.361 -0.061 1
1 1077 . 8 1 1 A 106 106 LYS C C 106 177.000 177.466 -0.466 1
1 1078 . 8 1 1 A 106 106 LYS CA C 106 56.600 56.388 0.212 1
1 1079 . 8 1 1 A 106 106 LYS CB C 106 32.800 34.734 -1.934 1
1 1081 . 8 1 1 A 106 106 LYS N N 106 122.400 116.423 5.977 1
1 1082 . 8 1 1 A 107 107 GLY H H 107 8.310 8.680 -0.370 1
1 1083 . 8 1 1 A 107 107 GLY HA2 H 107 3.990 3.892 0.098 1
1 1084 . 8 1 1 A 107 107 GLY HA3 H 107 3.990 3.903 0.087 1
1 1085 . 8 1 1 A 107 107 GLY CA C 107 45.300 45.806 -0.506 1
1 1086 . 8 1 1 A 107 107 GLY N N 107 110.000 109.776 0.224 1
1 1 . 9 1 1 A 11 11 SER HA H 11 4.510 4.456 0.054 1
1 4 . 9 1 1 A 11 11 SER C C 11 174.600 174.323 0.277 1
1 5 . 9 1 1 A 11 11 SER CA C 11 58.400 60.408 -2.008 1
1 6 . 9 1 1 A 11 11 SER CB C 11 63.800 63.588 0.212 1
1 7 . 9 1 1 A 12 12 SER H H 12 8.630 8.200 0.430 1
1 8 . 9 1 1 A 12 12 SER HA H 12 4.500 4.447 0.053 1
1 11 . 9 1 1 A 12 12 SER C C 12 175.000 175.257 -0.257 1
1 12 . 9 1 1 A 12 12 SER CA C 12 58.600 57.654 0.946 1
1 13 . 9 1 1 A 12 12 SER CB C 12 63.900 63.299 0.601 1
1 14 . 9 1 1 A 12 12 SER N N 12 118.300 116.152 2.148 1
1 15 . 9 1 1 A 13 13 GLY H H 13 8.560 8.590 -0.030 1
1 16 . 9 1 1 A 13 13 GLY HA2 H 13 4.050 3.965 0.085 1
1 17 . 9 1 1 A 13 13 GLY HA3 H 13 4.050 4.147 -0.097 1
1 18 . 9 1 1 A 13 13 GLY C C 13 174.300 174.717 -0.417 1
1 19 . 9 1 1 A 13 13 GLY CA C 13 45.400 45.571 -0.171 1
1 20 . 9 1 1 A 13 13 GLY N N 13 111.000 115.463 -4.463 1
1 21 . 9 1 1 A 14 14 ARG H H 14 8.260 7.819 0.441 1
1 22 . 9 1 1 A 14 14 ARG HA H 14 4.320 4.337 -0.017 1
1 29 . 9 1 1 A 14 14 ARG C C 14 176.400 176.940 -0.540 1
1 30 . 9 1 1 A 14 14 ARG CA C 14 56.300 57.896 -1.596 1
1 31 . 9 1 1 A 14 14 ARG CB C 14 30.600 31.440 -0.840 1
1 34 . 9 1 1 A 14 14 ARG N N 14 120.400 118.230 2.170 1
1 35 . 9 1 1 A 15 15 GLU H H 15 8.660 8.259 0.401 1
1 36 . 9 1 1 A 15 15 GLU HA H 15 4.210 4.655 -0.445 1
1 41 . 9 1 1 A 15 15 GLU C C 15 176.200 177.133 -0.933 1
1 42 . 9 1 1 A 15 15 GLU CA C 15 57.200 55.295 1.905 1
1 43 . 9 1 1 A 15 15 GLU CB C 15 29.700 29.711 -0.011 1
1 45 . 9 1 1 A 15 15 GLU N N 15 121.100 116.044 5.056 1
1 46 . 9 1 1 A 16 16 ASN H H 16 8.420 8.464 -0.044 1
1 47 . 9 1 1 A 16 16 ASN HA H 16 4.680 4.632 0.048 1
1 52 . 9 1 1 A 16 16 ASN C C 16 175.100 175.922 -0.822 1
1 53 . 9 1 1 A 16 16 ASN CA C 16 53.300 54.178 -0.878 1
1 54 . 9 1 1 A 16 16 ASN CB C 16 38.700 37.075 1.625 1
1 55 . 9 1 1 A 16 16 ASN N N 16 118.900 118.866 0.034 1
1 57 . 9 1 1 A 17 17 LEU H H 17 8.110 7.769 0.341 1
1 58 . 9 1 1 A 17 17 LEU HA H 17 4.210 4.244 -0.034 1
1 68 . 9 1 1 A 17 17 LEU C C 17 177.000 176.393 0.607 1
1 69 . 9 1 1 A 17 17 LEU CA C 17 55.600 55.900 -0.300 1
1 70 . 9 1 1 A 17 17 LEU CB C 17 42.200 42.464 -0.264 1
1 74 . 9 1 1 A 17 17 LEU N N 17 121.900 117.613 4.287 1
1 75 . 9 1 1 A 18 18 TYR H H 18 8.070 7.759 0.311 1
1 76 . 9 1 1 A 18 18 TYR HA H 18 4.530 4.811 -0.281 1
1 83 . 9 1 1 A 18 18 TYR C C 18 175.700 176.400 -0.700 1
1 84 . 9 1 1 A 18 18 TYR CA C 18 58.000 56.702 1.298 1
1 85 . 9 1 1 A 18 18 TYR CB C 18 38.700 38.618 0.082 1
1 90 . 9 1 1 A 18 18 TYR N N 18 119.500 118.656 0.844 1
1 91 . 9 1 1 A 19 19 PHE H H 19 8.120 8.429 -0.309 1
1 92 . 9 1 1 A 19 19 PHE HA H 19 4.560 4.246 0.314 1
1 99 . 9 1 1 A 19 19 PHE C C 19 175.500 176.827 -1.327 1
1 100 . 9 1 1 A 19 19 PHE CA C 19 57.900 60.091 -2.191 1
1 101 . 9 1 1 A 19 19 PHE CB C 19 39.500 37.885 1.615 1
1 106 . 9 1 1 A 19 19 PHE N N 19 121.200 122.896 -1.696 1
1 107 . 9 1 1 A 20 20 GLN H H 20 8.300 8.008 0.292 1
1 108 . 9 1 1 A 20 20 GLN HA H 20 4.200 3.859 0.341 1
1 115 . 9 1 1 A 20 20 GLN C C 20 176.000 177.310 -1.310 1
1 116 . 9 1 1 A 20 20 GLN CA C 20 56.100 58.431 -2.331 1
1 117 . 9 1 1 A 20 20 GLN CB C 20 29.100 28.407 0.693 1
1 119 . 9 1 1 A 20 20 GLN N N 20 121.700 120.981 0.719 1
1 121 . 9 1 1 A 21 21 GLY H H 21 7.970 7.776 0.194 1
1 122 . 9 1 1 A 21 21 GLY HA2 H 21 3.940 3.912 0.028 1
1 123 . 9 1 1 A 21 21 GLY HA3 H 21 3.830 3.954 -0.124 1
1 124 . 9 1 1 A 21 21 GLY CA C 21 45.400 45.282 0.118 1
1 125 . 9 1 1 A 21 21 GLY N N 21 108.500 107.233 1.267 1
1 126 . 9 1 1 A 22 22 HIS H H 22 8.280 7.045 1.235 1
1 127 . 9 1 1 A 22 22 HIS C C 22 174.000 175.522 -1.522 1
1 128 . 9 1 1 A 22 22 HIS CA C 22 56.000 53.559 2.441 1
1 129 . 9 1 1 A 22 22 HIS CB C 22 29.900 29.408 0.492 1
1 130 . 9 1 1 A 22 22 HIS N N 22 118.700 115.775 2.925 1
1 134 . 9 1 1 A 23 23 MET C C 23 175.900 175.986 -0.086 1
1 135 . 9 1 1 A 23 23 MET CB C 23 32.700 32.370 0.330 1
1 137 . 9 1 1 A 24 24 CYS H H 24 8.390 7.645 0.745 1
1 138 . 9 1 1 A 24 24 CYS HA H 24 4.620 4.736 -0.116 1
1 141 . 9 1 1 A 24 24 CYS C C 24 175.400 174.577 0.823 1
1 142 . 9 1 1 A 24 24 CYS CA C 24 58.000 57.490 0.510 1
1 143 . 9 1 1 A 24 24 CYS CB C 24 27.900 26.113 1.787 1
1 144 . 9 1 1 A 24 24 CYS N N 24 120.600 119.081 1.519 1
1 145 . 9 1 1 A 25 25 ILE H H 25 8.550 7.886 0.664 1
1 146 . 9 1 1 A 25 25 ILE HA H 25 4.010 3.980 0.030 1
1 156 . 9 1 1 A 25 25 ILE C C 25 176.200 176.954 -0.754 1
1 157 . 9 1 1 A 25 25 ILE CA C 25 63.400 63.812 -0.412 1
1 158 . 9 1 1 A 25 25 ILE CB C 25 38.100 37.797 0.303 1
1 162 . 9 1 1 A 25 25 ILE N N 25 124.600 126.450 -1.850 1
1 163 . 9 1 1 A 26 26 GLN H H 26 8.860 8.224 0.636 1
1 164 . 9 1 1 A 26 26 GLN HA H 26 3.340 3.818 -0.478 1
1 171 . 9 1 1 A 26 26 GLN C C 26 176.800 177.969 -1.169 1
1 172 . 9 1 1 A 26 26 GLN CA C 26 60.200 58.973 1.227 1
1 173 . 9 1 1 A 26 26 GLN CB C 26 27.800 27.951 -0.151 1
1 175 . 9 1 1 A 26 26 GLN N N 26 121.900 121.196 0.704 1
1 177 . 9 1 1 A 27 27 LYS H H 27 7.340 7.661 -0.321 1
1 178 . 9 1 1 A 27 27 LYS HA H 27 4.070 4.104 -0.034 1
1 181 . 9 1 1 A 27 27 LYS C C 27 177.900 178.546 -0.646 1
1 182 . 9 1 1 A 27 27 LYS CA C 27 58.300 58.908 -0.608 1
1 183 . 9 1 1 A 27 27 LYS CB C 27 31.800 32.439 -0.639 1
1 187 . 9 1 1 A 27 27 LYS N N 27 117.700 119.928 -2.228 1
1 188 . 9 1 1 A 28 28 VAL H H 28 7.570 7.534 0.036 1
1 189 . 9 1 1 A 28 28 VAL HA H 28 3.680 3.610 0.070 1
1 197 . 9 1 1 A 28 28 VAL C C 28 178.600 178.470 0.130 1
1 198 . 9 1 1 A 28 28 VAL CA C 28 66.400 66.450 -0.050 1
1 199 . 9 1 1 A 28 28 VAL CB C 28 31.800 31.719 0.081 1
1 202 . 9 1 1 A 28 28 VAL N N 28 119.900 118.810 1.090 1
1 203 . 9 1 1 A 29 29 ILE H H 29 8.180 8.129 0.051 1
1 204 . 9 1 1 A 29 29 ILE HA H 29 3.290 3.357 -0.067 1
1 212 . 9 1 1 A 29 29 ILE C C 29 177.500 178.103 -0.603 1
1 213 . 9 1 1 A 29 29 ILE CA C 29 65.900 65.640 0.260 1
1 214 . 9 1 1 A 29 29 ILE CB C 29 37.600 37.667 -0.067 1
1 218 . 9 1 1 A 29 29 ILE N N 29 118.500 119.495 -0.995 1
1 219 . 9 1 1 A 30 30 GLU H H 30 8.370 8.662 -0.292 1
1 220 . 9 1 1 A 30 30 GLU HA H 30 3.610 3.821 -0.211 1
1 225 . 9 1 1 A 30 30 GLU C C 30 179.000 178.872 0.128 1
1 226 . 9 1 1 A 30 30 GLU CA C 30 60.400 59.891 0.509 1
1 227 . 9 1 1 A 30 30 GLU CB C 30 29.600 29.293 0.307 1
1 229 . 9 1 1 A 30 30 GLU N N 30 119.200 120.157 -0.957 1
1 230 . 9 1 1 A 31 31 ASP H H 31 8.710 8.266 0.444 1
1 231 . 9 1 1 A 31 31 ASP HA H 31 4.370 4.340 0.030 1
1 234 . 9 1 1 A 31 31 ASP CA C 31 57.600 56.885 0.715 1
1 235 . 9 1 1 A 31 31 ASP CB C 31 40.200 40.510 -0.310 1
1 236 . 9 1 1 A 31 31 ASP N N 31 125.100 120.048 5.052 1
1 237 . 9 1 1 A 32 32 LYS H H 32 8.430 7.575 0.855 1
1 238 . 9 1 1 A 32 32 LYS HA H 32 4.030 4.034 -0.004 1
1 243 . 9 1 1 A 32 32 LYS C C 32 180.300 179.384 0.916 1
1 244 . 9 1 1 A 32 32 LYS CA C 32 60.400 59.289 1.111 1
1 245 . 9 1 1 A 32 32 LYS CB C 32 33.100 32.203 0.897 1
1 248 . 9 1 1 A 32 32 LYS N N 32 120.700 120.268 0.432 1
1 249 . 9 1 1 A 33 33 LEU H H 33 8.580 7.643 0.937 1
1 250 . 9 1 1 A 33 33 LEU HA H 33 4.000 3.990 0.010 1
1 260 . 9 1 1 A 33 33 LEU C C 33 179.200 179.401 -0.201 1
1 261 . 9 1 1 A 33 33 LEU CA C 33 58.000 57.856 0.144 1
1 262 . 9 1 1 A 33 33 LEU CB C 33 42.500 41.067 1.433 1
1 266 . 9 1 1 A 33 33 LEU N N 33 117.200 119.448 -2.248 1
1 267 . 9 1 1 A 34 34 SER H H 34 8.670 8.068 0.602 1
1 268 . 9 1 1 A 34 34 SER HA H 34 4.100 4.196 -0.096 1
1 271 . 9 1 1 A 34 34 SER C C 34 176.900 176.734 0.166 1
1 272 . 9 1 1 A 34 34 SER CA C 34 62.500 61.501 0.999 1
1 273 . 9 1 1 A 34 34 SER CB C 34 62.500 62.947 -0.447 1
1 274 . 9 1 1 A 34 34 SER N N 34 115.500 117.498 -1.998 1
1 275 . 9 1 1 A 35 35 SER H H 35 8.080 7.995 0.085 1
1 276 . 9 1 1 A 35 35 SER HA H 35 4.200 4.224 -0.024 1
1 279 . 9 1 1 A 35 35 SER C C 35 175.900 175.913 -0.013 1
1 280 . 9 1 1 A 35 35 SER CA C 35 60.900 61.399 -0.499 1
1 281 . 9 1 1 A 35 35 SER CB C 35 62.900 63.186 -0.286 1
1 282 . 9 1 1 A 35 35 SER N N 35 115.300 117.939 -2.639 1
1 283 . 9 1 1 A 36 36 ALA H H 36 7.570 7.626 -0.056 1
1 284 . 9 1 1 A 36 36 ALA HA H 36 4.340 4.115 0.225 1
1 288 . 9 1 1 A 36 36 ALA C C 36 179.200 180.199 -0.999 1
1 289 . 9 1 1 A 36 36 ALA CA C 36 54.300 54.584 -0.284 1
1 290 . 9 1 1 A 36 36 ALA CB C 36 20.900 18.582 2.318 1
1 291 . 9 1 1 A 36 36 ALA N N 36 119.000 123.463 -4.463 1
1 292 . 9 1 1 A 37 37 LEU H H 37 7.960 7.828 0.132 1
1 293 . 9 1 1 A 37 37 LEU HA H 37 4.530 4.238 0.292 1
1 303 . 9 1 1 A 37 37 LEU CA C 37 53.500 55.631 -2.131 1
1 304 . 9 1 1 A 37 37 LEU CB C 37 42.600 42.448 0.152 1
1 308 . 9 1 1 A 37 37 LEU N N 37 111.800 116.239 -4.439 1
1 309 . 9 1 1 A 38 38 LYS H H 38 7.600 8.063 -0.463 1
1 310 . 9 1 1 A 38 38 LYS HA H 38 4.250 4.329 -0.079 1
1 313 . 9 1 1 A 38 38 LYS CA C 38 56.200 57.177 -0.977 1
1 314 . 9 1 1 A 38 38 LYS CB C 38 30.800 30.950 -0.150 1
1 315 . 9 1 1 A 38 38 LYS N N 38 117.200 119.411 -2.211 1
1 316 . 9 1 1 A 39 39 PRO HA H 39 4.670 4.622 0.048 1
1 323 . 9 1 1 A 39 39 PRO C C 39 178.100 177.395 0.705 1
1 324 . 9 1 1 A 39 39 PRO CA C 39 63.300 62.138 1.162 1
1 325 . 9 1 1 A 39 39 PRO CB C 39 32.700 32.294 0.406 1
1 328 . 9 1 1 A 40 40 THR H H 40 8.500 8.324 0.176 1
1 329 . 9 1 1 A 40 40 THR HA H 40 4.290 4.131 0.159 1
1 334 . 9 1 1 A 40 40 THR C C 40 175.700 174.483 1.217 1
1 335 . 9 1 1 A 40 40 THR CA C 40 63.200 64.502 -1.302 1
1 336 . 9 1 1 A 40 40 THR CB C 40 67.600 69.123 -1.523 1
1 338 . 9 1 1 A 40 40 THR N N 40 114.500 113.299 1.201 1
1 339 . 9 1 1 A 41 41 PHE H H 41 7.300 7.824 -0.524 1
1 340 . 9 1 1 A 41 41 PHE HA H 41 4.510 4.715 -0.205 1
1 347 . 9 1 1 A 41 41 PHE C C 41 171.500 172.786 -1.286 1
1 348 . 9 1 1 A 41 41 PHE CA C 41 58.800 56.840 1.960 1
1 349 . 9 1 1 A 41 41 PHE CB C 41 41.000 42.017 -1.017 1
1 354 . 9 1 1 A 41 41 PHE N N 41 121.100 120.975 0.125 1
1 355 . 9 1 1 A 42 42 LEU H H 42 7.530 8.514 -0.984 1
1 356 . 9 1 1 A 42 42 LEU HA H 42 4.910 5.060 -0.150 1
1 366 . 9 1 1 A 42 42 LEU C C 42 173.700 173.931 -0.231 1
1 367 . 9 1 1 A 42 42 LEU CA C 42 53.500 53.704 -0.204 1
1 368 . 9 1 1 A 42 42 LEU CB C 42 45.300 45.698 -0.398 1
1 372 . 9 1 1 A 42 42 LEU N N 42 129.100 129.065 0.035 1
1 373 . 9 1 1 A 43 43 GLU H H 43 8.690 8.828 -0.138 1
1 374 . 9 1 1 A 43 43 GLU HA H 43 4.400 4.986 -0.586 1
1 379 . 9 1 1 A 43 43 GLU C C 43 173.500 174.880 -1.380 1
1 380 . 9 1 1 A 43 43 GLU CA C 43 55.800 54.525 1.275 1
1 381 . 9 1 1 A 43 43 GLU CB C 43 34.100 33.081 1.019 1
1 383 . 9 1 1 A 43 43 GLU N N 43 126.900 126.908 -0.008 1
1 384 . 9 1 1 A 44 44 LEU H H 44 9.000 8.945 0.055 1
1 385 . 9 1 1 A 44 44 LEU HA H 44 5.130 4.941 0.189 1
1 395 . 9 1 1 A 44 44 LEU C C 44 175.100 175.803 -0.703 1
1 396 . 9 1 1 A 44 44 LEU CA C 44 53.700 53.344 0.356 1
1 397 . 9 1 1 A 44 44 LEU CB C 44 44.600 42.307 2.293 1
1 401 . 9 1 1 A 44 44 LEU N N 44 129.900 128.157 1.743 1
1 402 . 9 1 1 A 45 45 VAL H H 45 9.000 9.296 -0.296 1
1 403 . 9 1 1 A 45 45 VAL HA H 45 4.370 4.646 -0.276 1
1 411 . 9 1 1 A 45 45 VAL C C 45 175.100 175.448 -0.348 1
1 412 . 9 1 1 A 45 45 VAL CA C 45 61.200 61.174 0.026 1
1 413 . 9 1 1 A 45 45 VAL CB C 45 35.400 32.947 2.453 1
1 416 . 9 1 1 A 45 45 VAL N N 45 122.300 124.977 -2.677 1
1 417 . 9 1 1 A 46 46 ASP H H 46 9.080 8.807 0.273 1
1 418 . 9 1 1 A 46 46 ASP HA H 46 4.530 4.695 -0.165 1
1 421 . 9 1 1 A 46 46 ASP C C 46 176.900 175.478 1.422 1
1 422 . 9 1 1 A 46 46 ASP CA C 46 53.900 54.191 -0.291 1
1 423 . 9 1 1 A 46 46 ASP CB C 46 40.600 41.127 -0.527 1
1 424 . 9 1 1 A 46 46 ASP N N 46 127.400 128.073 -0.673 1
1 425 . 9 1 1 A 47 47 LYS H H 47 8.490 8.432 0.058 1
1 426 . 9 1 1 A 47 47 LYS HA H 47 4.560 4.563 -0.003 1
1 427 . 9 1 1 A 47 47 LYS CA C 47 54.200 56.014 -1.814 1
1 428 . 9 1 1 A 47 47 LYS CB C 47 30.400 32.991 -2.591 1
1 429 . 9 1 1 A 47 47 LYS N N 47 129.500 128.208 1.292 1
1 430 . 9 1 1 A 54 54 SER HA H 54 5.550 5.343 0.207 1
1 433 . 9 1 1 A 54 54 SER C C 54 172.900 173.057 -0.157 1
1 434 . 9 1 1 A 54 54 SER CA C 54 57.300 56.012 1.288 1
1 435 . 9 1 1 A 54 54 SER CB C 54 65.800 66.155 -0.355 1
1 436 . 9 1 1 A 55 55 PHE H H 55 8.340 8.794 -0.454 1
1 437 . 9 1 1 A 55 55 PHE HA H 55 5.700 5.137 0.563 1
1 442 . 9 1 1 A 55 55 PHE C C 55 174.400 173.559 0.841 1
1 443 . 9 1 1 A 55 55 PHE CA C 55 56.700 56.057 0.643 1
1 444 . 9 1 1 A 55 55 PHE CB C 55 45.300 42.531 2.769 1
1 447 . 9 1 1 A 55 55 PHE N N 55 119.600 120.160 -0.560 1
1 448 . 9 1 1 A 56 56 ASP H H 56 8.840 9.312 -0.472 1
1 449 . 9 1 1 A 56 56 ASP HA H 56 5.350 5.188 0.162 1
1 452 . 9 1 1 A 56 56 ASP C C 56 174.400 174.496 -0.096 1
1 453 . 9 1 1 A 56 56 ASP CA C 56 52.900 52.382 0.518 1
1 454 . 9 1 1 A 56 56 ASP CB C 56 43.700 42.986 0.714 1
1 455 . 9 1 1 A 56 56 ASP N N 56 121.500 123.888 -2.388 1
1 456 . 9 1 1 A 57 57 ALA H H 57 8.780 8.867 -0.087 1
1 457 . 9 1 1 A 57 57 ALA HA H 57 5.620 5.176 0.444 1
1 461 . 9 1 1 A 57 57 ALA C C 57 176.400 175.615 0.785 1
1 462 . 9 1 1 A 57 57 ALA CA C 57 50.200 50.104 0.096 1
1 463 . 9 1 1 A 57 57 ALA CB C 57 23.600 20.618 2.982 1
1 464 . 9 1 1 A 57 57 ALA N N 57 125.000 129.058 -4.058 1
1 465 . 9 1 1 A 58 58 VAL H H 58 9.080 8.798 0.282 1
1 466 . 9 1 1 A 58 58 VAL HA H 58 4.580 4.502 0.078 1
1 474 . 9 1 1 A 58 58 VAL C C 58 175.000 174.497 0.503 1
1 475 . 9 1 1 A 58 58 VAL CA C 58 62.800 62.392 0.408 1
1 476 . 9 1 1 A 58 58 VAL CB C 58 34.100 31.660 2.440 1
1 479 . 9 1 1 A 58 58 VAL N N 58 125.100 123.172 1.928 1
1 480 . 9 1 1 A 59 59 ILE H H 59 8.750 9.185 -0.435 1
1 481 . 9 1 1 A 59 59 ILE HA H 59 4.430 4.920 -0.490 1
1 489 . 9 1 1 A 59 59 ILE C C 59 173.900 173.927 -0.027 1
1 490 . 9 1 1 A 59 59 ILE CA C 59 60.900 60.122 0.778 1
1 491 . 9 1 1 A 59 59 ILE CB C 59 41.100 40.475 0.625 1
1 495 . 9 1 1 A 59 59 ILE N N 59 125.000 129.298 -4.298 1
1 496 . 9 1 1 A 60 60 VAL H H 60 8.540 9.316 -0.776 1
1 497 . 9 1 1 A 60 60 VAL HA H 60 5.540 5.400 0.140 1
1 505 . 9 1 1 A 60 60 VAL C C 60 175.900 174.895 1.005 1
1 506 . 9 1 1 A 60 60 VAL CA C 60 60.200 61.053 -0.853 1
1 507 . 9 1 1 A 60 60 VAL CB C 60 31.800 32.427 -0.627 1
1 510 . 9 1 1 A 60 60 VAL N N 60 128.600 131.923 -3.323 1
1 511 . 9 1 1 A 61 61 SER H H 61 8.720 8.604 0.116 1
1 512 . 9 1 1 A 61 61 SER HA H 61 5.000 5.147 -0.147 1
1 515 . 9 1 1 A 61 61 SER C C 61 175.700 173.999 1.701 1
1 516 . 9 1 1 A 61 61 SER CA C 61 56.500 56.696 -0.196 1
1 517 . 9 1 1 A 61 61 SER CB C 61 64.400 65.216 -0.816 1
1 518 . 9 1 1 A 61 61 SER N N 61 115.900 121.748 -5.848 1
1 519 . 9 1 1 A 62 62 ASN H H 62 9.650 9.207 0.443 1
1 520 . 9 1 1 A 62 62 ASN HA H 62 4.670 4.508 0.162 1
1 525 . 9 1 1 A 62 62 ASN CA C 62 56.500 55.803 0.697 1
1 526 . 9 1 1 A 62 62 ASN CB C 62 38.600 38.099 0.501 1
1 528 . 9 1 1 A 62 62 ASN N N 62 129.400 124.343 5.057 1
1 530 . 9 1 1 A 63 63 ASN H H 63 8.920 8.411 0.509 1
1 531 . 9 1 1 A 63 63 ASN HA H 63 4.490 4.472 0.018 1
1 536 . 9 1 1 A 63 63 ASN C C 63 175.200 177.474 -2.274 1
1 537 . 9 1 1 A 63 63 ASN CA C 63 55.700 56.165 -0.465 1
1 538 . 9 1 1 A 63 63 ASN CB C 63 37.600 39.099 -1.499 1
1 539 . 9 1 1 A 63 63 ASN N N 63 119.500 117.588 1.912 1
1 541 . 9 1 1 A 64 64 PHE H H 64 6.950 7.508 -0.558 1
1 542 . 9 1 1 A 64 64 PHE HA H 64 4.690 4.442 0.248 1
1 545 . 9 1 1 A 64 64 PHE C C 64 174.200 177.143 -2.943 1
1 546 . 9 1 1 A 64 64 PHE CA C 64 54.900 59.898 -4.998 1
1 547 . 9 1 1 A 64 64 PHE CB C 64 37.500 39.492 -1.992 1
1 548 . 9 1 1 A 64 64 PHE N N 64 113.700 119.580 -5.880 1
1 549 . 9 1 1 A 65 65 GLU H H 65 7.470 8.310 -0.840 1
1 550 . 9 1 1 A 65 65 GLU HA H 65 4.010 4.056 -0.046 1
1 555 . 9 1 1 A 65 65 GLU C C 65 174.800 177.901 -3.101 1
1 556 . 9 1 1 A 65 65 GLU CA C 65 58.400 58.847 -0.447 1
1 557 . 9 1 1 A 65 65 GLU CB C 65 29.700 29.406 0.294 1
1 559 . 9 1 1 A 65 65 GLU N N 65 120.500 119.111 1.389 1
1 560 . 9 1 1 A 66 66 ASP H H 66 9.010 7.298 1.712 1
1 561 . 9 1 1 A 66 66 ASP HA H 66 4.390 4.679 -0.289 1
1 564 . 9 1 1 A 66 66 ASP C C 66 175.000 175.581 -0.581 1
1 565 . 9 1 1 A 66 66 ASP CA C 66 55.800 54.087 1.713 1
1 566 . 9 1 1 A 66 66 ASP CB C 66 39.800 41.282 -1.482 1
1 567 . 9 1 1 A 66 66 ASP N N 66 119.200 119.508 -0.308 1
1 568 . 9 1 1 A 67 67 LYS H H 67 7.800 7.734 0.066 1
1 569 . 9 1 1 A 67 67 LYS C C 67 177.400 175.434 1.966 1
1 570 . 9 1 1 A 67 67 LYS CA C 67 54.700 57.590 -2.890 1
1 571 . 9 1 1 A 67 67 LYS CB C 67 38.400 29.486 8.914 1
1 575 . 9 1 1 A 67 67 LYS N N 67 117.200 116.181 1.019 1
1 576 . 9 1 1 A 68 68 LYS H H 68 9.340 7.963 1.377 1
1 577 . 9 1 1 A 68 68 LYS HA H 68 4.400 4.519 -0.119 1
1 586 . 9 1 1 A 68 68 LYS C C 68 177.500 177.425 0.075 1
1 587 . 9 1 1 A 68 68 LYS CA C 68 55.900 54.687 1.213 1
1 588 . 9 1 1 A 68 68 LYS CB C 68 32.700 30.567 2.133 1
1 592 . 9 1 1 A 68 68 LYS N N 68 125.800 119.846 5.954 1
1 593 . 9 1 1 A 69 69 LEU H H 69 8.710 8.042 0.668 1
1 594 . 9 1 1 A 69 69 LEU HA H 69 3.630 4.118 -0.488 1
1 603 . 9 1 1 A 69 69 LEU C C 69 178.400 178.728 -0.328 1
1 604 . 9 1 1 A 69 69 LEU CA C 69 60.300 57.960 2.340 1
1 605 . 9 1 1 A 69 69 LEU CB C 69 41.600 41.397 0.203 1
1 608 . 9 1 1 A 69 69 LEU N N 69 124.300 123.161 1.139 1
1 609 . 9 1 1 A 70 70 LEU H H 70 8.700 8.102 0.598 1
1 610 . 9 1 1 A 70 70 LEU HA H 70 3.930 4.007 -0.077 1
1 620 . 9 1 1 A 70 70 LEU C C 70 179.400 178.866 0.534 1
1 621 . 9 1 1 A 70 70 LEU CA C 70 58.200 58.191 0.009 1
1 622 . 9 1 1 A 70 70 LEU CB C 70 41.700 41.187 0.513 1
1 626 . 9 1 1 A 70 70 LEU N N 70 116.100 119.030 -2.930 1
1 627 . 9 1 1 A 71 71 ASP H H 71 7.130 8.125 -0.995 1
1 628 . 9 1 1 A 71 71 ASP HA H 71 4.660 4.403 0.257 1
1 631 . 9 1 1 A 71 71 ASP C C 71 179.000 178.988 0.012 1
1 632 . 9 1 1 A 71 71 ASP CA C 71 57.100 56.945 0.155 1
1 633 . 9 1 1 A 71 71 ASP CB C 71 40.800 40.539 0.261 1
1 634 . 9 1 1 A 71 71 ASP N N 71 117.600 120.052 -2.452 1
1 635 . 9 1 1 A 72 72 ARG H H 72 8.190 8.059 0.131 1
1 636 . 9 1 1 A 72 72 ARG HA H 72 3.930 4.166 -0.236 1
1 637 . 9 1 1 A 72 72 ARG C C 72 177.000 178.513 -1.513 1
1 638 . 9 1 1 A 72 72 ARG CA C 72 60.100 58.785 1.315 1
1 639 . 9 1 1 A 72 72 ARG CB C 72 29.300 30.178 -0.878 1
1 642 . 9 1 1 A 72 72 ARG N N 72 122.200 118.151 4.049 1
1 643 . 9 1 1 A 73 73 HIS H H 73 8.030 8.150 -0.120 1
1 644 . 9 1 1 A 73 73 HIS HA H 73 4.100 4.280 -0.180 1
1 648 . 9 1 1 A 73 73 HIS C C 73 177.300 177.363 -0.063 1
1 649 . 9 1 1 A 73 73 HIS CA C 73 58.100 59.952 -1.852 1
1 650 . 9 1 1 A 73 73 HIS CB C 73 30.200 29.744 0.456 1
1 652 . 9 1 1 A 73 73 HIS N N 73 116.800 120.406 -3.606 1
1 653 . 9 1 1 A 74 74 ARG H H 74 8.290 8.245 0.045 1
1 654 . 9 1 1 A 74 74 ARG HA H 74 4.080 4.067 0.013 1
1 661 . 9 1 1 A 74 74 ARG C C 74 178.700 178.834 -0.134 1
1 662 . 9 1 1 A 74 74 ARG CA C 74 59.700 59.008 0.692 1
1 663 . 9 1 1 A 74 74 ARG CB C 74 30.400 29.883 0.517 1
1 666 . 9 1 1 A 74 74 ARG N N 74 118.200 118.551 -0.351 1
1 667 . 9 1 1 A 75 75 LEU H H 75 7.740 8.234 -0.494 1
1 668 . 9 1 1 A 75 75 LEU HA H 75 4.270 4.038 0.232 1
1 678 . 9 1 1 A 75 75 LEU CA C 75 58.300 57.985 0.315 1
1 679 . 9 1 1 A 75 75 LEU CB C 75 42.000 42.332 -0.332 1
1 683 . 9 1 1 A 75 75 LEU N N 75 121.200 121.425 -0.225 1
1 684 . 9 1 1 A 76 76 VAL H H 76 7.590 8.232 -0.642 1
1 685 . 9 1 1 A 76 76 VAL HA H 76 3.360 3.468 -0.108 1
1 693 . 9 1 1 A 76 76 VAL C C 76 176.800 177.196 -0.396 1
1 694 . 9 1 1 A 76 76 VAL CA C 76 67.500 66.909 0.591 1
1 695 . 9 1 1 A 76 76 VAL CB C 76 31.500 31.043 0.457 1
1 698 . 9 1 1 A 76 76 VAL N N 76 119.300 117.262 2.038 1
1 699 . 9 1 1 A 77 77 ASN H H 77 8.690 8.180 0.510 1
1 700 . 9 1 1 A 77 77 ASN HA H 77 4.190 4.473 -0.283 1
1 705 . 9 1 1 A 77 77 ASN C C 77 178.000 178.202 -0.202 1
1 706 . 9 1 1 A 77 77 ASN CA C 77 55.400 56.385 -0.985 1
1 707 . 9 1 1 A 77 77 ASN CB C 77 37.600 38.186 -0.586 1
1 708 . 9 1 1 A 77 77 ASN N N 77 117.100 119.182 -2.082 1
1 710 . 9 1 1 A 78 78 THR H H 78 8.050 7.851 0.199 1
1 711 . 9 1 1 A 78 78 THR HA H 78 3.970 3.992 -0.022 1
1 716 . 9 1 1 A 78 78 THR C C 78 176.900 176.896 0.004 1
1 717 . 9 1 1 A 78 78 THR CA C 78 66.700 67.107 -0.407 1
1 718 . 9 1 1 A 78 78 THR CB C 78 68.800 68.214 0.586 1
1 720 . 9 1 1 A 78 78 THR N N 78 116.300 116.681 -0.381 1
1 721 . 9 1 1 A 79 79 ILE H H 79 8.020 7.756 0.264 1
1 722 . 9 1 1 A 79 79 ILE HA H 79 3.670 3.716 -0.046 1
1 730 . 9 1 1 A 79 79 ILE CA C 79 65.000 64.097 0.903 1
1 731 . 9 1 1 A 79 79 ILE CB C 79 38.500 37.929 0.571 1
1 734 . 9 1 1 A 79 79 ILE N N 79 124.800 120.967 3.833 1
1 735 . 9 1 1 A 80 80 LEU H H 80 7.770 8.130 -0.360 1
1 745 . 9 1 1 A 80 80 LEU C C 80 176.000 178.615 -2.615 1
1 746 . 9 1 1 A 80 80 LEU CA C 80 52.900 55.280 -2.380 1
1 747 . 9 1 1 A 80 80 LEU CB C 80 41.100 41.569 -0.469 1
1 751 . 9 1 1 A 80 80 LEU N N 80 115.200 119.069 -3.869 1
1 752 . 9 1 1 A 81 81 LYS H H 81 6.880 7.840 -0.960 1
1 753 . 9 1 1 A 81 81 LYS HA H 81 3.820 3.869 -0.049 1
1 762 . 9 1 1 A 81 81 LYS C C 81 178.400 178.878 -0.478 1
1 763 . 9 1 1 A 81 81 LYS CA C 81 60.700 59.811 0.889 1
1 764 . 9 1 1 A 81 81 LYS CB C 81 32.800 32.442 0.358 1
1 768 . 9 1 1 A 81 81 LYS N N 81 120.300 121.261 -0.961 1
1 769 . 9 1 1 A 82 82 GLU H H 82 8.620 8.185 0.435 1
1 770 . 9 1 1 A 82 82 GLU HA H 82 4.020 4.079 -0.059 1
1 773 . 9 1 1 A 82 82 GLU C C 82 178.500 179.108 -0.608 1
1 774 . 9 1 1 A 82 82 GLU CA C 82 59.000 59.352 -0.352 1
1 775 . 9 1 1 A 82 82 GLU CB C 82 28.700 28.834 -0.134 1
1 777 . 9 1 1 A 82 82 GLU N N 82 116.700 118.064 -1.364 1
1 778 . 9 1 1 A 83 83 GLU H H 83 8.070 7.778 0.292 1
1 779 . 9 1 1 A 83 83 GLU HA H 83 3.980 3.948 0.032 1
1 784 . 9 1 1 A 83 83 GLU C C 83 179.300 178.785 0.515 1
1 785 . 9 1 1 A 83 83 GLU CA C 83 60.900 59.201 1.699 1
1 786 . 9 1 1 A 83 83 GLU CB C 83 28.900 29.130 -0.230 1
1 788 . 9 1 1 A 83 83 GLU N N 83 120.300 120.001 0.299 1
1 789 . 9 1 1 A 84 84 LEU H H 84 8.480 8.447 0.033 1
1 790 . 9 1 1 A 84 84 LEU HA H 84 3.910 3.928 -0.018 1
1 800 . 9 1 1 A 84 84 LEU C C 84 178.200 179.521 -1.321 1
1 801 . 9 1 1 A 84 84 LEU CA C 84 57.000 58.065 -1.065 1
1 802 . 9 1 1 A 84 84 LEU CB C 84 40.800 41.293 -0.493 1
1 806 . 9 1 1 A 84 84 LEU N N 84 116.700 119.998 -3.298 1
1 807 . 9 1 1 A 85 85 GLN H H 85 7.130 7.652 -0.522 1
1 808 . 9 1 1 A 85 85 GLN HA H 85 4.140 4.020 0.120 1
1 815 . 9 1 1 A 85 85 GLN C C 85 176.300 177.389 -1.089 1
1 816 . 9 1 1 A 85 85 GLN CA C 85 57.900 58.754 -0.854 1
1 817 . 9 1 1 A 85 85 GLN CB C 85 28.900 28.303 0.597 1
1 819 . 9 1 1 A 85 85 GLN N N 85 115.400 117.037 -1.637 1
1 821 . 9 1 1 A 86 86 ASN H H 86 7.630 7.874 -0.244 1
1 822 . 9 1 1 A 86 86 ASN HA H 86 5.020 4.876 0.144 1
1 827 . 9 1 1 A 86 86 ASN C C 86 174.100 174.219 -0.119 1
1 828 . 9 1 1 A 86 86 ASN CA C 86 52.800 53.854 -1.054 1
1 829 . 9 1 1 A 86 86 ASN CB C 86 40.400 39.311 1.089 1
1 830 . 9 1 1 A 86 86 ASN N N 86 114.000 115.387 -1.387 1
1 832 . 9 1 1 A 87 87 ILE H H 87 7.300 8.004 -0.704 1
1 833 . 9 1 1 A 87 87 ILE HA H 87 4.320 4.660 -0.340 1
1 843 . 9 1 1 A 87 87 ILE C C 87 174.500 176.058 -1.558 1
1 844 . 9 1 1 A 87 87 ILE CA C 87 60.400 60.003 0.397 1
1 845 . 9 1 1 A 87 87 ILE CB C 87 40.600 40.883 -0.283 1
1 849 . 9 1 1 A 87 87 ILE N N 87 119.300 119.801 -0.501 1
1 850 . 9 1 1 A 88 88 HIS H H 88 9.140 8.789 0.351 1
1 851 . 9 1 1 A 88 88 HIS HA H 88 4.680 4.411 0.269 1
1 855 . 9 1 1 A 88 88 HIS CA C 88 57.300 59.030 -1.730 1
1 856 . 9 1 1 A 88 88 HIS CB C 88 30.200 31.082 -0.882 1
1 858 . 9 1 1 A 88 88 HIS N N 88 125.000 126.217 -1.217 1
1 859 . 9 1 1 A 89 89 ALA H H 89 7.600 7.803 -0.203 1
1 860 . 9 1 1 A 89 89 ALA HA H 89 4.620 4.465 0.155 1
1 864 . 9 1 1 A 89 89 ALA C C 89 174.300 175.747 -1.447 1
1 865 . 9 1 1 A 89 89 ALA CA C 89 52.300 51.747 0.553 1
1 866 . 9 1 1 A 89 89 ALA CB C 89 21.300 20.295 1.005 1
1 867 . 9 1 1 A 89 89 ALA N N 89 120.100 118.915 1.185 1
1 868 . 9 1 1 A 90 90 PHE H H 90 8.830 9.300 -0.470 1
1 869 . 9 1 1 A 90 90 PHE HA H 90 5.220 5.335 -0.115 1
1 877 . 9 1 1 A 90 90 PHE C C 90 173.700 174.267 -0.567 1
1 878 . 9 1 1 A 90 90 PHE CA C 90 57.200 56.974 0.226 1
1 879 . 9 1 1 A 90 90 PHE CB C 90 42.000 42.009 -0.009 1
1 885 . 9 1 1 A 90 90 PHE N N 90 126.100 127.322 -1.222 1
1 886 . 9 1 1 A 91 91 SER H H 91 8.320 8.945 -0.625 1
1 887 . 9 1 1 A 91 91 SER HA H 91 4.730 5.388 -0.658 1
1 891 . 9 1 1 A 91 91 SER C C 91 172.600 172.077 0.523 1
1 892 . 9 1 1 A 91 91 SER CA C 91 56.500 56.051 0.449 1
1 893 . 9 1 1 A 91 91 SER CB C 91 64.100 66.323 -2.223 1
1 894 . 9 1 1 A 91 91 SER N N 91 123.100 122.722 0.378 1
1 895 . 9 1 1 A 92 92 MET H H 92 8.660 8.973 -0.313 1
1 896 . 9 1 1 A 92 92 MET HA H 92 5.490 5.395 0.095 1
1 901 . 9 1 1 A 92 92 MET C C 92 174.300 174.479 -0.179 1
1 902 . 9 1 1 A 92 92 MET CA C 92 53.600 53.492 0.108 1
1 903 . 9 1 1 A 92 92 MET CB C 92 37.500 35.448 2.052 1
1 906 . 9 1 1 A 92 92 MET N N 92 119.600 120.635 -1.035 1
1 907 . 9 1 1 A 93 93 LYS H H 93 8.190 9.105 -0.915 1
1 908 . 9 1 1 A 93 93 LYS HA H 93 4.450 4.800 -0.350 1
1 917 . 9 1 1 A 93 93 LYS C C 93 174.400 174.894 -0.494 1
1 918 . 9 1 1 A 93 93 LYS CA C 93 55.400 54.599 0.801 1
1 919 . 9 1 1 A 93 93 LYS CB C 93 34.700 34.251 0.449 1
1 923 . 9 1 1 A 93 93 LYS N N 93 122.700 121.642 1.058 1
1 924 . 9 1 1 A 94 94 CYS H H 94 8.340 8.660 -0.320 1
1 925 . 9 1 1 A 94 94 CYS HA H 94 4.960 5.472 -0.512 1
1 928 . 9 1 1 A 94 94 CYS C C 94 173.600 173.765 -0.165 1
1 929 . 9 1 1 A 94 94 CYS CA C 94 56.600 57.078 -0.478 1
1 930 . 9 1 1 A 94 94 CYS CB C 94 29.800 29.200 0.600 1
1 931 . 9 1 1 A 94 94 CYS N N 94 120.300 124.605 -4.305 1
1 932 . 9 1 1 A 95 95 HIS H H 95 9.040 9.035 0.005 1
1 933 . 9 1 1 A 95 95 HIS HA H 95 5.440 5.419 0.021 1
1 936 . 9 1 1 A 95 95 HIS C C 95 175.700 174.905 0.795 1
1 937 . 9 1 1 A 95 95 HIS CA C 95 53.600 54.854 -1.254 1
1 938 . 9 1 1 A 95 95 HIS CB C 95 35.300 34.843 0.457 1
1 939 . 9 1 1 A 95 95 HIS N N 95 122.000 120.513 1.487 1
1 940 . 9 1 1 A 96 96 THR H H 96 8.910 8.563 0.347 1
1 941 . 9 1 1 A 96 96 THR HA H 96 5.150 5.066 0.084 1
1 945 . 9 1 1 A 96 96 THR CA C 96 60.100 59.289 0.811 1
1 946 . 9 1 1 A 96 96 THR CB C 96 67.600 69.608 -2.008 1
1 948 . 9 1 1 A 96 96 THR N N 96 113.600 112.634 0.966 1
1 949 . 9 1 1 A 97 97 PRO HA H 97 4.060 4.476 -0.416 1
1 956 . 9 1 1 A 97 97 PRO C C 97 178.600 177.636 0.964 1
1 957 . 9 1 1 A 97 97 PRO CA C 97 66.600 65.412 1.188 1
1 958 . 9 1 1 A 97 97 PRO CB C 97 31.600 31.840 -0.240 1
1 961 . 9 1 1 A 98 98 LEU H H 98 8.410 7.837 0.573 1
1 962 . 9 1 1 A 98 98 LEU HA H 98 4.230 4.071 0.159 1
1 971 . 9 1 1 A 98 98 LEU C C 98 179.800 178.764 1.036 1
1 972 . 9 1 1 A 98 98 LEU CA C 98 58.200 57.554 0.646 1
1 973 . 9 1 1 A 98 98 LEU CB C 98 42.000 41.630 0.370 1
1 976 . 9 1 1 A 98 98 LEU N N 98 118.300 118.037 0.263 1
1 977 . 9 1 1 A 99 99 GLU H H 99 7.660 7.839 -0.179 1
1 978 . 9 1 1 A 99 99 GLU HA H 99 3.900 3.888 0.012 1
1 983 . 9 1 1 A 99 99 GLU C C 99 180.200 178.785 1.415 1
1 984 . 9 1 1 A 99 99 GLU CA C 99 58.400 59.738 -1.338 1
1 985 . 9 1 1 A 99 99 GLU CB C 99 30.400 29.455 0.945 1
1 987 . 9 1 1 A 99 99 GLU N N 99 118.100 118.476 -0.376 1
1 988 . 9 1 1 A 100 100 TYR H H 100 8.770 8.095 0.675 1
1 989 . 9 1 1 A 100 100 TYR HA H 100 3.860 4.162 -0.302 1
1 996 . 9 1 1 A 100 100 TYR C C 100 176.800 177.380 -0.580 1
1 997 . 9 1 1 A 100 100 TYR CA C 100 60.800 61.044 -0.244 1
1 998 . 9 1 1 A 100 100 TYR CB C 100 39.200 38.514 0.686 1
1 1003 . 9 1 1 A 100 100 TYR N N 100 120.100 121.797 -1.697 1
1 1004 . 9 1 1 A 101 101 ASP H H 101 8.100 8.683 -0.583 1
1 1005 . 9 1 1 A 101 101 ASP HA H 101 4.180 4.068 0.112 1
1 1008 . 9 1 1 A 101 101 ASP C C 101 178.700 178.346 0.354 1
1 1009 . 9 1 1 A 101 101 ASP CA C 101 57.300 57.660 -0.360 1
1 1010 . 9 1 1 A 101 101 ASP CB C 101 40.800 41.711 -0.911 1
1 1011 . 9 1 1 A 101 101 ASP N N 101 118.400 119.388 -0.988 1
1 1012 . 9 1 1 A 102 102 LYS H H 102 7.480 7.596 -0.116 1
1 1013 . 9 1 1 A 102 102 LYS HA H 102 4.070 3.936 0.134 1
1 1020 . 9 1 1 A 102 102 LYS CA C 102 58.300 59.596 -1.296 1
1 1021 . 9 1 1 A 102 102 LYS CB C 102 32.300 32.321 -0.021 1
1 1024 . 9 1 1 A 102 102 LYS N N 102 117.500 119.116 -1.616 1
1 1025 . 9 1 1 A 103 103 LEU H H 103 7.580 7.973 -0.393 1
1 1026 . 9 1 1 A 103 103 LEU HA H 103 4.050 3.927 0.123 1
1 1036 . 9 1 1 A 103 103 LEU C C 103 178.700 179.656 -0.956 1
1 1037 . 9 1 1 A 103 103 LEU CA C 103 56.800 57.802 -1.002 1
1 1038 . 9 1 1 A 103 103 LEU CB C 103 42.000 41.203 0.797 1
1 1042 . 9 1 1 A 103 103 LEU N N 103 120.100 119.842 0.258 1
1 1043 . 9 1 1 A 104 104 LYS H H 104 7.730 7.910 -0.180 1
1 1044 . 9 1 1 A 104 104 LYS HA H 104 3.960 3.898 0.062 1
1 1053 . 9 1 1 A 104 104 LYS CA C 104 56.700 58.778 -2.078 1
1 1054 . 9 1 1 A 104 104 LYS CB C 104 31.700 31.347 0.353 1
1 1058 . 9 1 1 A 104 104 LYS N N 104 118.500 118.354 0.146 1
1 1059 . 9 1 1 A 105 105 SER H H 105 7.790 7.913 -0.123 1
1 1060 . 9 1 1 A 105 105 SER HA H 105 4.330 4.063 0.267 1
1 1063 . 9 1 1 A 105 105 SER C C 105 174.700 176.065 -1.365 1
1 1064 . 9 1 1 A 105 105 SER CA C 105 58.900 61.514 -2.614 1
1 1065 . 9 1 1 A 105 105 SER CB C 105 63.500 63.026 0.474 1
1 1066 . 9 1 1 A 105 105 SER N N 105 114.900 114.766 0.134 1
1 1067 . 9 1 1 A 106 106 LYS H H 106 8.000 7.445 0.555 1
1 1068 . 9 1 1 A 106 106 LYS HA H 106 4.300 4.503 -0.203 1
1 1077 . 9 1 1 A 106 106 LYS C C 106 177.000 177.184 -0.184 1
1 1078 . 9 1 1 A 106 106 LYS CA C 106 56.600 56.907 -0.307 1
1 1079 . 9 1 1 A 106 106 LYS CB C 106 32.800 34.134 -1.334 1
1 1081 . 9 1 1 A 106 106 LYS N N 106 122.400 114.829 7.571 1
1 1082 . 9 1 1 A 107 107 GLY H H 107 8.310 7.768 0.542 1
1 1083 . 9 1 1 A 107 107 GLY HA2 H 107 3.990 4.013 -0.023 1
1 1084 . 9 1 1 A 107 107 GLY HA3 H 107 3.990 4.026 -0.036 1
1 1085 . 9 1 1 A 107 107 GLY CA C 107 45.300 45.480 -0.180 1
1 1086 . 9 1 1 A 107 107 GLY N N 107 110.000 108.515 1.485 1
1 1 . 10 1 1 A 11 11 SER HA H 11 4.510 4.688 -0.178 1
1 4 . 10 1 1 A 11 11 SER C C 11 174.600 172.688 1.912 1
1 5 . 10 1 1 A 11 11 SER CA C 11 58.400 58.150 0.250 1
1 6 . 10 1 1 A 11 11 SER CB C 11 63.800 63.538 0.262 1
1 7 . 10 1 1 A 12 12 SER H H 12 8.630 7.585 1.045 1
1 8 . 10 1 1 A 12 12 SER HA H 12 4.500 5.039 -0.539 1
1 11 . 10 1 1 A 12 12 SER C C 12 175.000 174.768 0.232 1
1 12 . 10 1 1 A 12 12 SER CA C 12 58.600 57.036 1.564 1
1 13 . 10 1 1 A 12 12 SER CB C 12 63.900 66.488 -2.588 1
1 14 . 10 1 1 A 12 12 SER N N 12 118.300 118.221 0.079 1
1 15 . 10 1 1 A 13 13 GLY H H 13 8.560 8.143 0.417 1
1 16 . 10 1 1 A 13 13 GLY HA2 H 13 4.050 4.063 -0.013 1
1 17 . 10 1 1 A 13 13 GLY HA3 H 13 4.050 4.111 -0.061 1
1 18 . 10 1 1 A 13 13 GLY C C 13 174.300 174.964 -0.664 1
1 19 . 10 1 1 A 13 13 GLY CA C 13 45.400 45.338 0.062 1
1 20 . 10 1 1 A 13 13 GLY N N 13 111.000 111.864 -0.864 1
1 21 . 10 1 1 A 14 14 ARG H H 14 8.260 8.020 0.240 1
1 22 . 10 1 1 A 14 14 ARG HA H 14 4.320 4.448 -0.128 1
1 29 . 10 1 1 A 14 14 ARG C C 14 176.400 177.396 -0.996 1
1 30 . 10 1 1 A 14 14 ARG CA C 14 56.300 56.680 -0.380 1
1 31 . 10 1 1 A 14 14 ARG CB C 14 30.600 32.264 -1.664 1
1 34 . 10 1 1 A 14 14 ARG N N 14 120.400 118.530 1.870 1
1 35 . 10 1 1 A 15 15 GLU H H 15 8.660 8.267 0.393 1
1 36 . 10 1 1 A 15 15 GLU HA H 15 4.210 4.255 -0.045 1
1 41 . 10 1 1 A 15 15 GLU C C 15 176.200 177.029 -0.829 1
1 42 . 10 1 1 A 15 15 GLU CA C 15 57.200 56.758 0.442 1
1 43 . 10 1 1 A 15 15 GLU CB C 15 29.700 28.652 1.048 1
1 45 . 10 1 1 A 15 15 GLU N N 15 121.100 117.453 3.647 1
1 46 . 10 1 1 A 16 16 ASN H H 16 8.420 8.573 -0.153 1
1 47 . 10 1 1 A 16 16 ASN HA H 16 4.680 4.527 0.153 1
1 52 . 10 1 1 A 16 16 ASN C C 16 175.100 176.486 -1.386 1
1 53 . 10 1 1 A 16 16 ASN CA C 16 53.300 54.551 -1.251 1
1 54 . 10 1 1 A 16 16 ASN CB C 16 38.700 37.327 1.373 1
1 55 . 10 1 1 A 16 16 ASN N N 16 118.900 118.780 0.120 1
1 57 . 10 1 1 A 17 17 LEU H H 17 8.110 7.650 0.460 1
1 58 . 10 1 1 A 17 17 LEU HA H 17 4.210 4.126 0.084 1
1 68 . 10 1 1 A 17 17 LEU C C 17 177.000 176.078 0.922 1
1 69 . 10 1 1 A 17 17 LEU CA C 17 55.600 56.358 -0.758 1
1 70 . 10 1 1 A 17 17 LEU CB C 17 42.200 42.740 -0.540 1
1 74 . 10 1 1 A 17 17 LEU N N 17 121.900 118.078 3.822 1
1 75 . 10 1 1 A 18 18 TYR H H 18 8.070 7.954 0.116 1
1 76 . 10 1 1 A 18 18 TYR HA H 18 4.530 5.066 -0.536 1
1 83 . 10 1 1 A 18 18 TYR C C 18 175.700 176.702 -1.002 1
1 84 . 10 1 1 A 18 18 TYR CA C 18 58.000 56.650 1.350 1
1 85 . 10 1 1 A 18 18 TYR CB C 18 38.700 41.607 -2.907 1
1 90 . 10 1 1 A 18 18 TYR N N 18 119.500 116.705 2.795 1
1 91 . 10 1 1 A 19 19 PHE H H 19 8.120 9.240 -1.120 1
1 92 . 10 1 1 A 19 19 PHE HA H 19 4.560 4.478 0.082 1
1 99 . 10 1 1 A 19 19 PHE C C 19 175.500 177.145 -1.645 1
1 100 . 10 1 1 A 19 19 PHE CA C 19 57.900 58.832 -0.932 1
1 101 . 10 1 1 A 19 19 PHE CB C 19 39.500 38.811 0.689 1
1 106 . 10 1 1 A 19 19 PHE N N 19 121.200 120.927 0.273 1
1 107 . 10 1 1 A 20 20 GLN H H 20 8.300 7.619 0.681 1
1 108 . 10 1 1 A 20 20 GLN HA H 20 4.200 3.578 0.622 1
1 115 . 10 1 1 A 20 20 GLN C C 20 176.000 176.631 -0.631 1
1 116 . 10 1 1 A 20 20 GLN CA C 20 56.100 58.333 -2.233 1
1 117 . 10 1 1 A 20 20 GLN CB C 20 29.100 28.419 0.681 1
1 119 . 10 1 1 A 20 20 GLN N N 20 121.700 121.152 0.548 1
1 121 . 10 1 1 A 21 21 GLY H H 21 7.970 7.883 0.087 1
1 122 . 10 1 1 A 21 21 GLY HA2 H 21 3.940 3.759 0.181 1
1 123 . 10 1 1 A 21 21 GLY HA3 H 21 3.830 3.811 0.019 1
1 124 . 10 1 1 A 21 21 GLY CA C 21 45.400 46.838 -1.438 1
1 125 . 10 1 1 A 21 21 GLY N N 21 108.500 107.321 1.179 1
1 126 . 10 1 1 A 22 22 HIS H H 22 8.280 7.295 0.985 1
1 127 . 10 1 1 A 22 22 HIS C C 22 174.000 174.609 -0.609 1
1 128 . 10 1 1 A 22 22 HIS CA C 22 56.000 55.224 0.776 1
1 129 . 10 1 1 A 22 22 HIS CB C 22 29.900 28.927 0.973 1
1 130 . 10 1 1 A 22 22 HIS N N 22 118.700 118.473 0.227 1
1 134 . 10 1 1 A 23 23 MET C C 23 175.900 175.581 0.319 1
1 135 . 10 1 1 A 23 23 MET CB C 23 32.700 30.980 1.720 1
1 137 . 10 1 1 A 24 24 CYS H H 24 8.390 7.700 0.690 1
1 138 . 10 1 1 A 24 24 CYS HA H 24 4.620 4.393 0.227 1
1 141 . 10 1 1 A 24 24 CYS C C 24 175.400 175.631 -0.231 1
1 142 . 10 1 1 A 24 24 CYS CA C 24 58.000 59.196 -1.196 1
1 143 . 10 1 1 A 24 24 CYS CB C 24 27.900 28.436 -0.536 1
1 144 . 10 1 1 A 24 24 CYS N N 24 120.600 120.719 -0.119 1
1 145 . 10 1 1 A 25 25 ILE H H 25 8.550 8.625 -0.075 1
1 146 . 10 1 1 A 25 25 ILE HA H 25 4.010 3.884 0.126 1
1 156 . 10 1 1 A 25 25 ILE C C 25 176.200 176.971 -0.771 1
1 157 . 10 1 1 A 25 25 ILE CA C 25 63.400 64.137 -0.737 1
1 158 . 10 1 1 A 25 25 ILE CB C 25 38.100 37.810 0.290 1
1 162 . 10 1 1 A 25 25 ILE N N 25 124.600 127.850 -3.250 1
1 163 . 10 1 1 A 26 26 GLN H H 26 8.860 7.761 1.099 1
1 164 . 10 1 1 A 26 26 GLN HA H 26 3.340 3.647 -0.307 1
1 171 . 10 1 1 A 26 26 GLN C C 26 176.800 178.507 -1.707 1
1 172 . 10 1 1 A 26 26 GLN CA C 26 60.200 59.112 1.088 1
1 173 . 10 1 1 A 26 26 GLN CB C 26 27.800 28.130 -0.330 1
1 175 . 10 1 1 A 26 26 GLN N N 26 121.900 121.162 0.738 1
1 177 . 10 1 1 A 27 27 LYS H H 27 7.340 7.450 -0.110 1
1 178 . 10 1 1 A 27 27 LYS HA H 27 4.070 4.078 -0.008 1
1 181 . 10 1 1 A 27 27 LYS C C 27 177.900 178.761 -0.861 1
1 182 . 10 1 1 A 27 27 LYS CA C 27 58.300 58.750 -0.450 1
1 183 . 10 1 1 A 27 27 LYS CB C 27 31.800 31.741 0.059 1
1 187 . 10 1 1 A 27 27 LYS N N 27 117.700 119.661 -1.961 1
1 188 . 10 1 1 A 28 28 VAL H H 28 7.570 7.938 -0.368 1
1 189 . 10 1 1 A 28 28 VAL HA H 28 3.680 3.616 0.064 1
1 197 . 10 1 1 A 28 28 VAL C C 28 178.600 178.274 0.326 1
1 198 . 10 1 1 A 28 28 VAL CA C 28 66.400 66.326 0.074 1
1 199 . 10 1 1 A 28 28 VAL CB C 28 31.800 31.660 0.140 1
1 202 . 10 1 1 A 28 28 VAL N N 28 119.900 119.189 0.711 1
1 203 . 10 1 1 A 29 29 ILE H H 29 8.180 7.999 0.181 1
1 204 . 10 1 1 A 29 29 ILE HA H 29 3.290 3.504 -0.214 1
1 212 . 10 1 1 A 29 29 ILE C C 29 177.500 177.807 -0.307 1
1 213 . 10 1 1 A 29 29 ILE CA C 29 65.900 65.144 0.756 1
1 214 . 10 1 1 A 29 29 ILE CB C 29 37.600 37.269 0.331 1
1 218 . 10 1 1 A 29 29 ILE N N 29 118.500 119.758 -1.258 1
1 219 . 10 1 1 A 30 30 GLU H H 30 8.370 8.197 0.173 1
1 220 . 10 1 1 A 30 30 GLU HA H 30 3.610 3.777 -0.167 1
1 225 . 10 1 1 A 30 30 GLU C C 30 179.000 178.421 0.579 1
1 226 . 10 1 1 A 30 30 GLU CA C 30 60.400 59.849 0.551 1
1 227 . 10 1 1 A 30 30 GLU CB C 30 29.600 29.122 0.478 1
1 229 . 10 1 1 A 30 30 GLU N N 30 119.200 121.419 -2.219 1
1 230 . 10 1 1 A 31 31 ASP H H 31 8.710 8.366 0.344 1
1 231 . 10 1 1 A 31 31 ASP HA H 31 4.370 4.272 0.098 1
1 234 . 10 1 1 A 31 31 ASP CA C 31 57.600 57.248 0.352 1
1 235 . 10 1 1 A 31 31 ASP CB C 31 40.200 40.956 -0.756 1
1 236 . 10 1 1 A 31 31 ASP N N 31 125.100 120.262 4.838 1
1 237 . 10 1 1 A 32 32 LYS H H 32 8.430 7.693 0.737 1
1 238 . 10 1 1 A 32 32 LYS HA H 32 4.030 4.011 0.019 1
1 243 . 10 1 1 A 32 32 LYS C C 32 180.300 179.398 0.902 1
1 244 . 10 1 1 A 32 32 LYS CA C 32 60.400 59.426 0.974 1
1 245 . 10 1 1 A 32 32 LYS CB C 32 33.100 31.869 1.231 1
1 248 . 10 1 1 A 32 32 LYS N N 32 120.700 119.845 0.855 1
1 249 . 10 1 1 A 33 33 LEU H H 33 8.580 8.005 0.575 1
1 250 . 10 1 1 A 33 33 LEU HA H 33 4.000 3.952 0.048 1
1 260 . 10 1 1 A 33 33 LEU C C 33 179.200 178.743 0.457 1
1 261 . 10 1 1 A 33 33 LEU CA C 33 58.000 57.756 0.244 1
1 262 . 10 1 1 A 33 33 LEU CB C 33 42.500 41.069 1.431 1
1 266 . 10 1 1 A 33 33 LEU N N 33 117.200 119.562 -2.362 1
1 267 . 10 1 1 A 34 34 SER H H 34 8.670 7.818 0.852 1
1 268 . 10 1 1 A 34 34 SER HA H 34 4.100 4.099 0.001 1
1 271 . 10 1 1 A 34 34 SER C C 34 176.900 177.268 -0.368 1
1 272 . 10 1 1 A 34 34 SER CA C 34 62.500 61.574 0.926 1
1 273 . 10 1 1 A 34 34 SER CB C 34 62.500 62.865 -0.365 1
1 274 . 10 1 1 A 34 34 SER N N 34 115.500 115.385 0.115 1
1 275 . 10 1 1 A 35 35 SER H H 35 8.080 7.946 0.134 1
1 276 . 10 1 1 A 35 35 SER HA H 35 4.200 4.071 0.129 1
1 279 . 10 1 1 A 35 35 SER C C 35 175.900 175.953 -0.053 1
1 280 . 10 1 1 A 35 35 SER CA C 35 60.900 61.208 -0.308 1
1 281 . 10 1 1 A 35 35 SER CB C 35 62.900 62.628 0.272 1
1 282 . 10 1 1 A 35 35 SER N N 35 115.300 116.314 -1.014 1
1 283 . 10 1 1 A 36 36 ALA H H 36 7.570 7.648 -0.078 1
1 284 . 10 1 1 A 36 36 ALA HA H 36 4.340 4.317 0.023 1
1 288 . 10 1 1 A 36 36 ALA C C 36 179.200 179.419 -0.219 1
1 289 . 10 1 1 A 36 36 ALA CA C 36 54.300 53.982 0.318 1
1 290 . 10 1 1 A 36 36 ALA CB C 36 20.900 19.561 1.339 1
1 291 . 10 1 1 A 36 36 ALA N N 36 119.000 122.842 -3.842 1
1 292 . 10 1 1 A 37 37 LEU H H 37 7.960 8.087 -0.127 1
1 293 . 10 1 1 A 37 37 LEU HA H 37 4.530 4.145 0.385 1
1 303 . 10 1 1 A 37 37 LEU CA C 37 53.500 56.229 -2.729 1
1 304 . 10 1 1 A 37 37 LEU CB C 37 42.600 42.377 0.223 1
1 308 . 10 1 1 A 37 37 LEU N N 37 111.800 116.737 -4.937 1
1 309 . 10 1 1 A 38 38 LYS H H 38 7.600 7.758 -0.158 1
1 310 . 10 1 1 A 38 38 LYS HA H 38 4.250 3.953 0.297 1
1 313 . 10 1 1 A 38 38 LYS CA C 38 56.200 56.698 -0.498 1
1 314 . 10 1 1 A 38 38 LYS CB C 38 30.800 30.325 0.475 1
1 315 . 10 1 1 A 38 38 LYS N N 38 117.200 115.467 1.733 1
1 316 . 10 1 1 A 39 39 PRO HA H 39 4.670 4.603 0.067 1
1 323 . 10 1 1 A 39 39 PRO C C 39 178.100 177.726 0.374 1
1 324 . 10 1 1 A 39 39 PRO CA C 39 63.300 62.190 1.110 1
1 325 . 10 1 1 A 39 39 PRO CB C 39 32.700 32.097 0.603 1
1 328 . 10 1 1 A 40 40 THR H H 40 8.500 8.374 0.126 1
1 329 . 10 1 1 A 40 40 THR HA H 40 4.290 4.086 0.204 1
1 334 . 10 1 1 A 40 40 THR C C 40 175.700 174.523 1.177 1
1 335 . 10 1 1 A 40 40 THR CA C 40 63.200 64.648 -1.448 1
1 336 . 10 1 1 A 40 40 THR CB C 40 67.600 69.025 -1.425 1
1 338 . 10 1 1 A 40 40 THR N N 40 114.500 115.423 -0.923 1
1 339 . 10 1 1 A 41 41 PHE H H 41 7.300 7.411 -0.111 1
1 340 . 10 1 1 A 41 41 PHE HA H 41 4.510 4.768 -0.258 1
1 347 . 10 1 1 A 41 41 PHE C C 41 171.500 173.076 -1.576 1
1 348 . 10 1 1 A 41 41 PHE CA C 41 58.800 57.117 1.683 1
1 349 . 10 1 1 A 41 41 PHE CB C 41 41.000 42.477 -1.477 1
1 354 . 10 1 1 A 41 41 PHE N N 41 121.100 120.603 0.497 1
1 355 . 10 1 1 A 42 42 LEU H H 42 7.530 8.101 -0.571 1
1 356 . 10 1 1 A 42 42 LEU HA H 42 4.910 4.860 0.050 1
1 366 . 10 1 1 A 42 42 LEU C C 42 173.700 173.490 0.210 1
1 367 . 10 1 1 A 42 42 LEU CA C 42 53.500 53.956 -0.456 1
1 368 . 10 1 1 A 42 42 LEU CB C 42 45.300 45.308 -0.008 1
1 372 . 10 1 1 A 42 42 LEU N N 42 129.100 127.854 1.246 1
1 373 . 10 1 1 A 43 43 GLU H H 43 8.690 9.086 -0.396 1
1 374 . 10 1 1 A 43 43 GLU HA H 43 4.400 4.793 -0.393 1
1 379 . 10 1 1 A 43 43 GLU C C 43 173.500 175.059 -1.559 1
1 380 . 10 1 1 A 43 43 GLU CA C 43 55.800 54.922 0.878 1
1 381 . 10 1 1 A 43 43 GLU CB C 43 34.100 31.664 2.436 1
1 383 . 10 1 1 A 43 43 GLU N N 43 126.900 127.980 -1.080 1
1 384 . 10 1 1 A 44 44 LEU H H 44 9.000 9.188 -0.188 1
1 385 . 10 1 1 A 44 44 LEU HA H 44 5.130 4.966 0.164 1
1 395 . 10 1 1 A 44 44 LEU C C 44 175.100 175.815 -0.715 1
1 396 . 10 1 1 A 44 44 LEU CA C 44 53.700 53.459 0.241 1
1 397 . 10 1 1 A 44 44 LEU CB C 44 44.600 42.951 1.649 1
1 401 . 10 1 1 A 44 44 LEU N N 44 129.900 126.589 3.311 1
1 402 . 10 1 1 A 45 45 VAL H H 45 9.000 9.474 -0.474 1
1 403 . 10 1 1 A 45 45 VAL HA H 45 4.370 4.460 -0.090 1
1 411 . 10 1 1 A 45 45 VAL C C 45 175.100 175.262 -0.162 1
1 412 . 10 1 1 A 45 45 VAL CA C 45 61.200 61.103 0.097 1
1 413 . 10 1 1 A 45 45 VAL CB C 45 35.400 33.874 1.526 1
1 416 . 10 1 1 A 45 45 VAL N N 45 122.300 125.218 -2.918 1
1 417 . 10 1 1 A 46 46 ASP H H 46 9.080 8.753 0.327 1
1 418 . 10 1 1 A 46 46 ASP HA H 46 4.530 4.808 -0.278 1
1 421 . 10 1 1 A 46 46 ASP C C 46 176.900 175.499 1.401 1
1 422 . 10 1 1 A 46 46 ASP CA C 46 53.900 54.243 -0.343 1
1 423 . 10 1 1 A 46 46 ASP CB C 46 40.600 41.074 -0.474 1
1 424 . 10 1 1 A 46 46 ASP N N 46 127.400 128.047 -0.647 1
1 425 . 10 1 1 A 47 47 LYS H H 47 8.490 8.349 0.141 1
1 426 . 10 1 1 A 47 47 LYS HA H 47 4.560 4.439 0.121 1
1 427 . 10 1 1 A 47 47 LYS CA C 47 54.200 55.290 -1.090 1
1 428 . 10 1 1 A 47 47 LYS CB C 47 30.400 31.791 -1.391 1
1 429 . 10 1 1 A 47 47 LYS N N 47 129.500 128.197 1.303 1
1 430 . 10 1 1 A 54 54 SER HA H 54 5.550 4.893 0.657 1
1 433 . 10 1 1 A 54 54 SER C C 54 172.900 172.823 0.077 1
1 434 . 10 1 1 A 54 54 SER CA C 54 57.300 57.285 0.015 1
1 435 . 10 1 1 A 54 54 SER CB C 54 65.800 65.960 -0.160 1
1 436 . 10 1 1 A 55 55 PHE H H 55 8.340 8.509 -0.169 1
1 437 . 10 1 1 A 55 55 PHE HA H 55 5.700 5.162 0.538 1
1 442 . 10 1 1 A 55 55 PHE C C 55 174.400 173.711 0.689 1
1 443 . 10 1 1 A 55 55 PHE CA C 55 56.700 55.911 0.789 1
1 444 . 10 1 1 A 55 55 PHE CB C 55 45.300 43.592 1.708 1
1 447 . 10 1 1 A 55 55 PHE N N 55 119.600 120.842 -1.242 1
1 448 . 10 1 1 A 56 56 ASP H H 56 8.840 9.104 -0.264 1
1 449 . 10 1 1 A 56 56 ASP HA H 56 5.350 5.232 0.118 1
1 452 . 10 1 1 A 56 56 ASP C C 56 174.400 174.692 -0.292 1
1 453 . 10 1 1 A 56 56 ASP CA C 56 52.900 52.823 0.077 1
1 454 . 10 1 1 A 56 56 ASP CB C 56 43.700 42.329 1.371 1
1 455 . 10 1 1 A 56 56 ASP N N 56 121.500 123.319 -1.819 1
1 456 . 10 1 1 A 57 57 ALA H H 57 8.780 8.890 -0.110 1
1 457 . 10 1 1 A 57 57 ALA HA H 57 5.620 5.242 0.378 1
1 461 . 10 1 1 A 57 57 ALA C C 57 176.400 175.659 0.741 1
1 462 . 10 1 1 A 57 57 ALA CA C 57 50.200 50.134 0.066 1
1 463 . 10 1 1 A 57 57 ALA CB C 57 23.600 20.731 2.869 1
1 464 . 10 1 1 A 57 57 ALA N N 57 125.000 127.546 -2.546 1
1 465 . 10 1 1 A 58 58 VAL H H 58 9.080 8.973 0.107 1
1 466 . 10 1 1 A 58 58 VAL HA H 58 4.580 4.415 0.165 1
1 474 . 10 1 1 A 58 58 VAL C C 58 175.000 176.201 -1.201 1
1 475 . 10 1 1 A 58 58 VAL CA C 58 62.800 62.503 0.297 1
1 476 . 10 1 1 A 58 58 VAL CB C 58 34.100 31.853 2.247 1
1 479 . 10 1 1 A 58 58 VAL N N 58 125.100 123.327 1.773 1
1 480 . 10 1 1 A 59 59 ILE H H 59 8.750 8.977 -0.227 1
1 481 . 10 1 1 A 59 59 ILE HA H 59 4.430 4.890 -0.460 1
1 489 . 10 1 1 A 59 59 ILE C C 59 173.900 174.898 -0.998 1
1 490 . 10 1 1 A 59 59 ILE CA C 59 60.900 59.401 1.499 1
1 491 . 10 1 1 A 59 59 ILE CB C 59 41.100 39.387 1.713 1
1 495 . 10 1 1 A 59 59 ILE N N 59 125.000 124.362 0.638 1
1 496 . 10 1 1 A 60 60 VAL H H 60 8.540 8.450 0.090 1
1 497 . 10 1 1 A 60 60 VAL HA H 60 5.540 5.091 0.449 1
1 505 . 10 1 1 A 60 60 VAL C C 60 175.900 174.369 1.531 1
1 506 . 10 1 1 A 60 60 VAL CA C 60 60.200 61.819 -1.619 1
1 507 . 10 1 1 A 60 60 VAL CB C 60 31.800 33.431 -1.631 1
1 510 . 10 1 1 A 60 60 VAL N N 60 128.600 122.868 5.732 1
1 511 . 10 1 1 A 61 61 SER H H 61 8.720 8.603 0.117 1
1 512 . 10 1 1 A 61 61 SER HA H 61 5.000 5.210 -0.210 1
1 515 . 10 1 1 A 61 61 SER C C 61 175.700 174.189 1.511 1
1 516 . 10 1 1 A 61 61 SER CA C 61 56.500 56.370 0.130 1
1 517 . 10 1 1 A 61 61 SER CB C 61 64.400 65.528 -1.128 1
1 518 . 10 1 1 A 61 61 SER N N 61 115.900 121.816 -5.916 1
1 519 . 10 1 1 A 62 62 ASN H H 62 9.650 9.191 0.459 1
1 520 . 10 1 1 A 62 62 ASN HA H 62 4.670 4.511 0.159 1
1 525 . 10 1 1 A 62 62 ASN CA C 62 56.500 55.683 0.817 1
1 526 . 10 1 1 A 62 62 ASN CB C 62 38.600 38.107 0.493 1
1 528 . 10 1 1 A 62 62 ASN N N 62 129.400 125.269 4.131 1
1 530 . 10 1 1 A 63 63 ASN H H 63 8.920 8.270 0.650 1
1 531 . 10 1 1 A 63 63 ASN HA H 63 4.490 4.490 0.000 1
1 536 . 10 1 1 A 63 63 ASN C C 63 175.200 177.173 -1.973 1
1 537 . 10 1 1 A 63 63 ASN CA C 63 55.700 56.169 -0.469 1
1 538 . 10 1 1 A 63 63 ASN CB C 63 37.600 38.930 -1.330 1
1 539 . 10 1 1 A 63 63 ASN N N 63 119.500 117.801 1.699 1
1 541 . 10 1 1 A 64 64 PHE H H 64 6.950 7.992 -1.042 1
1 542 . 10 1 1 A 64 64 PHE HA H 64 4.690 4.463 0.227 1
1 545 . 10 1 1 A 64 64 PHE C C 64 174.200 176.758 -2.558 1
1 546 . 10 1 1 A 64 64 PHE CA C 64 54.900 59.706 -4.806 1
1 547 . 10 1 1 A 64 64 PHE CB C 64 37.500 39.809 -2.309 1
1 548 . 10 1 1 A 64 64 PHE N N 64 113.700 119.938 -6.238 1
1 549 . 10 1 1 A 65 65 GLU H H 65 7.470 8.597 -1.127 1
1 550 . 10 1 1 A 65 65 GLU HA H 65 4.010 4.025 -0.015 1
1 555 . 10 1 1 A 65 65 GLU C C 65 174.800 176.725 -1.925 1
1 556 . 10 1 1 A 65 65 GLU CA C 65 58.400 57.562 0.838 1
1 557 . 10 1 1 A 65 65 GLU CB C 65 29.700 28.441 1.259 1
1 559 . 10 1 1 A 65 65 GLU N N 65 120.500 117.500 3.000 1
1 560 . 10 1 1 A 66 66 ASP H H 66 9.010 7.688 1.322 1
1 561 . 10 1 1 A 66 66 ASP HA H 66 4.390 4.704 -0.314 1
1 564 . 10 1 1 A 66 66 ASP C C 66 175.000 175.679 -0.679 1
1 565 . 10 1 1 A 66 66 ASP CA C 66 55.800 53.913 1.887 1
1 566 . 10 1 1 A 66 66 ASP CB C 66 39.800 41.276 -1.476 1
1 567 . 10 1 1 A 66 66 ASP N N 66 119.200 120.806 -1.606 1
1 568 . 10 1 1 A 67 67 LYS H H 67 7.800 7.436 0.364 1
1 569 . 10 1 1 A 67 67 LYS C C 67 177.400 175.561 1.839 1
1 570 . 10 1 1 A 67 67 LYS CA C 67 54.700 57.815 -3.115 1
1 571 . 10 1 1 A 67 67 LYS CB C 67 38.400 30.221 8.179 1
1 575 . 10 1 1 A 67 67 LYS N N 67 117.200 116.823 0.377 1
1 576 . 10 1 1 A 68 68 LYS H H 68 9.340 7.623 1.717 1
1 577 . 10 1 1 A 68 68 LYS HA H 68 4.400 4.324 0.076 1
1 586 . 10 1 1 A 68 68 LYS C C 68 177.500 177.629 -0.129 1
1 587 . 10 1 1 A 68 68 LYS CA C 68 55.900 56.412 -0.512 1
1 588 . 10 1 1 A 68 68 LYS CB C 68 32.700 32.351 0.349 1
1 592 . 10 1 1 A 68 68 LYS N N 68 125.800 121.056 4.744 1
1 593 . 10 1 1 A 69 69 LEU H H 69 8.710 8.500 0.210 1
1 594 . 10 1 1 A 69 69 LEU HA H 69 3.630 4.278 -0.648 1
1 603 . 10 1 1 A 69 69 LEU C C 69 178.400 178.833 -0.433 1
1 604 . 10 1 1 A 69 69 LEU CA C 69 60.300 57.927 2.373 1
1 605 . 10 1 1 A 69 69 LEU CB C 69 41.600 41.429 0.171 1
1 608 . 10 1 1 A 69 69 LEU N N 69 124.300 125.471 -1.171 1
1 609 . 10 1 1 A 70 70 LEU H H 70 8.700 8.184 0.516 1
1 610 . 10 1 1 A 70 70 LEU HA H 70 3.930 4.006 -0.076 1
1 620 . 10 1 1 A 70 70 LEU C C 70 179.400 178.228 1.172 1
1 621 . 10 1 1 A 70 70 LEU CA C 70 58.200 58.017 0.183 1
1 622 . 10 1 1 A 70 70 LEU CB C 70 41.700 40.982 0.718 1
1 626 . 10 1 1 A 70 70 LEU N N 70 116.100 119.323 -3.223 1
1 627 . 10 1 1 A 71 71 ASP H H 71 7.130 8.423 -1.293 1
1 628 . 10 1 1 A 71 71 ASP HA H 71 4.660 4.368 0.292 1
1 631 . 10 1 1 A 71 71 ASP C C 71 179.000 178.355 0.645 1
1 632 . 10 1 1 A 71 71 ASP CA C 71 57.100 57.584 -0.484 1
1 633 . 10 1 1 A 71 71 ASP CB C 71 40.800 41.011 -0.211 1
1 634 . 10 1 1 A 71 71 ASP N N 71 117.600 119.558 -1.958 1
1 635 . 10 1 1 A 72 72 ARG H H 72 8.190 8.033 0.157 1
1 636 . 10 1 1 A 72 72 ARG HA H 72 3.930 4.007 -0.077 1
1 637 . 10 1 1 A 72 72 ARG C C 72 177.000 178.390 -1.390 1
1 638 . 10 1 1 A 72 72 ARG CA C 72 60.100 59.040 1.060 1
1 639 . 10 1 1 A 72 72 ARG CB C 72 29.300 30.005 -0.705 1
1 642 . 10 1 1 A 72 72 ARG N N 72 122.200 120.158 2.042 1
1 643 . 10 1 1 A 73 73 HIS H H 73 8.030 8.287 -0.257 1
1 644 . 10 1 1 A 73 73 HIS HA H 73 4.100 4.222 -0.122 1
1 648 . 10 1 1 A 73 73 HIS C C 73 177.300 177.000 0.300 1
1 649 . 10 1 1 A 73 73 HIS CA C 73 58.100 59.958 -1.858 1
1 650 . 10 1 1 A 73 73 HIS CB C 73 30.200 29.448 0.752 1
1 652 . 10 1 1 A 73 73 HIS N N 73 116.800 118.998 -2.198 1
1 653 . 10 1 1 A 74 74 ARG H H 74 8.290 8.512 -0.222 1
1 654 . 10 1 1 A 74 74 ARG HA H 74 4.080 4.027 0.053 1
1 661 . 10 1 1 A 74 74 ARG C C 74 178.700 178.726 -0.026 1
1 662 . 10 1 1 A 74 74 ARG CA C 74 59.700 58.984 0.716 1
1 663 . 10 1 1 A 74 74 ARG CB C 74 30.400 30.218 0.182 1
1 666 . 10 1 1 A 74 74 ARG N N 74 118.200 118.271 -0.071 1
1 667 . 10 1 1 A 75 75 LEU H H 75 7.740 7.912 -0.172 1
1 668 . 10 1 1 A 75 75 LEU HA H 75 4.270 3.999 0.271 1
1 678 . 10 1 1 A 75 75 LEU CA C 75 58.300 57.989 0.311 1
1 679 . 10 1 1 A 75 75 LEU CB C 75 42.000 42.020 -0.020 1
1 683 . 10 1 1 A 75 75 LEU N N 75 121.200 121.306 -0.106 1
1 684 . 10 1 1 A 76 76 VAL H H 76 7.590 8.116 -0.526 1
1 685 . 10 1 1 A 76 76 VAL HA H 76 3.360 3.433 -0.073 1
1 693 . 10 1 1 A 76 76 VAL C C 76 176.800 177.539 -0.739 1
1 694 . 10 1 1 A 76 76 VAL CA C 76 67.500 66.888 0.612 1
1 695 . 10 1 1 A 76 76 VAL CB C 76 31.500 31.226 0.274 1
1 698 . 10 1 1 A 76 76 VAL N N 76 119.300 117.232 2.068 1
1 699 . 10 1 1 A 77 77 ASN H H 77 8.690 8.374 0.316 1
1 700 . 10 1 1 A 77 77 ASN HA H 77 4.190 4.370 -0.180 1
1 705 . 10 1 1 A 77 77 ASN C C 77 178.000 178.251 -0.251 1
1 706 . 10 1 1 A 77 77 ASN CA C 77 55.400 56.293 -0.893 1
1 707 . 10 1 1 A 77 77 ASN CB C 77 37.600 38.427 -0.827 1
1 708 . 10 1 1 A 77 77 ASN N N 77 117.100 118.628 -1.528 1
1 710 . 10 1 1 A 78 78 THR H H 78 8.050 7.802 0.248 1
1 711 . 10 1 1 A 78 78 THR HA H 78 3.970 3.925 0.045 1
1 716 . 10 1 1 A 78 78 THR C C 78 176.900 176.084 0.816 1
1 717 . 10 1 1 A 78 78 THR CA C 78 66.700 67.241 -0.541 1
1 718 . 10 1 1 A 78 78 THR CB C 78 68.800 68.666 0.134 1
1 720 . 10 1 1 A 78 78 THR N N 78 116.300 116.071 0.229 1
1 721 . 10 1 1 A 79 79 ILE H H 79 8.020 7.540 0.480 1
1 722 . 10 1 1 A 79 79 ILE HA H 79 3.670 3.833 -0.163 1
1 730 . 10 1 1 A 79 79 ILE CA C 79 65.000 63.879 1.121 1
1 731 . 10 1 1 A 79 79 ILE CB C 79 38.500 38.175 0.325 1
1 734 . 10 1 1 A 79 79 ILE N N 79 124.800 119.485 5.315 1
1 735 . 10 1 1 A 80 80 LEU H H 80 7.770 8.007 -0.237 1
1 745 . 10 1 1 A 80 80 LEU C C 80 176.000 179.043 -3.043 1
1 746 . 10 1 1 A 80 80 LEU CA C 80 52.900 56.082 -3.182 1
1 747 . 10 1 1 A 80 80 LEU CB C 80 41.100 41.076 0.024 1
1 751 . 10 1 1 A 80 80 LEU N N 80 115.200 119.221 -4.021 1
1 752 . 10 1 1 A 81 81 LYS H H 81 6.880 7.910 -1.030 1
1 753 . 10 1 1 A 81 81 LYS HA H 81 3.820 3.878 -0.058 1
1 762 . 10 1 1 A 81 81 LYS C C 81 178.400 178.749 -0.349 1
1 763 . 10 1 1 A 81 81 LYS CA C 81 60.700 59.798 0.902 1
1 764 . 10 1 1 A 81 81 LYS CB C 81 32.800 32.523 0.277 1
1 768 . 10 1 1 A 81 81 LYS N N 81 120.300 120.993 -0.693 1
1 769 . 10 1 1 A 82 82 GLU H H 82 8.620 8.073 0.547 1
1 770 . 10 1 1 A 82 82 GLU HA H 82 4.020 3.973 0.047 1
1 773 . 10 1 1 A 82 82 GLU C C 82 178.500 179.274 -0.774 1
1 774 . 10 1 1 A 82 82 GLU CA C 82 59.000 59.306 -0.306 1
1 775 . 10 1 1 A 82 82 GLU CB C 82 28.700 29.249 -0.549 1
1 777 . 10 1 1 A 82 82 GLU N N 82 116.700 118.237 -1.537 1
1 778 . 10 1 1 A 83 83 GLU H H 83 8.070 7.801 0.269 1
1 779 . 10 1 1 A 83 83 GLU HA H 83 3.980 3.915 0.065 1
1 784 . 10 1 1 A 83 83 GLU C C 83 179.300 179.046 0.254 1
1 785 . 10 1 1 A 83 83 GLU CA C 83 60.900 59.126 1.774 1
1 786 . 10 1 1 A 83 83 GLU CB C 83 28.900 29.087 -0.187 1
1 788 . 10 1 1 A 83 83 GLU N N 83 120.300 120.288 0.012 1
1 789 . 10 1 1 A 84 84 LEU H H 84 8.480 8.442 0.038 1
1 790 . 10 1 1 A 84 84 LEU HA H 84 3.910 3.960 -0.050 1
1 800 . 10 1 1 A 84 84 LEU C C 84 178.200 179.159 -0.959 1
1 801 . 10 1 1 A 84 84 LEU CA C 84 57.000 58.087 -1.087 1
1 802 . 10 1 1 A 84 84 LEU CB C 84 40.800 41.403 -0.603 1
1 806 . 10 1 1 A 84 84 LEU N N 84 116.700 120.277 -3.577 1
1 807 . 10 1 1 A 85 85 GLN H H 85 7.130 7.455 -0.325 1
1 808 . 10 1 1 A 85 85 GLN HA H 85 4.140 4.040 0.100 1
1 815 . 10 1 1 A 85 85 GLN C C 85 176.300 177.190 -0.890 1
1 816 . 10 1 1 A 85 85 GLN CA C 85 57.900 58.687 -0.787 1
1 817 . 10 1 1 A 85 85 GLN CB C 85 28.900 28.333 0.567 1
1 819 . 10 1 1 A 85 85 GLN N N 85 115.400 116.424 -1.024 1
1 821 . 10 1 1 A 86 86 ASN H H 86 7.630 7.912 -0.282 1
1 822 . 10 1 1 A 86 86 ASN HA H 86 5.020 4.824 0.196 1
1 827 . 10 1 1 A 86 86 ASN C C 86 174.100 175.505 -1.405 1
1 828 . 10 1 1 A 86 86 ASN CA C 86 52.800 54.392 -1.592 1
1 829 . 10 1 1 A 86 86 ASN CB C 86 40.400 39.820 0.580 1
1 830 . 10 1 1 A 86 86 ASN N N 86 114.000 115.596 -1.596 1
1 832 . 10 1 1 A 87 87 ILE H H 87 7.300 7.678 -0.378 1
1 833 . 10 1 1 A 87 87 ILE HA H 87 4.320 4.535 -0.215 1
1 843 . 10 1 1 A 87 87 ILE C C 87 174.500 176.694 -2.194 1
1 844 . 10 1 1 A 87 87 ILE CA C 87 60.400 60.110 0.290 1
1 845 . 10 1 1 A 87 87 ILE CB C 87 40.600 38.975 1.625 1
1 849 . 10 1 1 A 87 87 ILE N N 87 119.300 119.252 0.048 1
1 850 . 10 1 1 A 88 88 HIS H H 88 9.140 8.691 0.449 1
1 851 . 10 1 1 A 88 88 HIS HA H 88 4.680 4.549 0.131 1
1 855 . 10 1 1 A 88 88 HIS CA C 88 57.300 58.024 -0.724 1
1 856 . 10 1 1 A 88 88 HIS CB C 88 30.200 31.560 -1.360 1
1 858 . 10 1 1 A 88 88 HIS N N 88 125.000 124.944 0.056 1
1 859 . 10 1 1 A 89 89 ALA H H 89 7.600 7.940 -0.340 1
1 860 . 10 1 1 A 89 89 ALA HA H 89 4.620 4.578 0.042 1
1 864 . 10 1 1 A 89 89 ALA C C 89 174.300 175.702 -1.402 1
1 865 . 10 1 1 A 89 89 ALA CA C 89 52.300 50.935 1.365 1
1 866 . 10 1 1 A 89 89 ALA CB C 89 21.300 21.464 -0.164 1
1 867 . 10 1 1 A 89 89 ALA N N 89 120.100 119.287 0.813 1
1 868 . 10 1 1 A 90 90 PHE H H 90 8.830 9.192 -0.362 1
1 869 . 10 1 1 A 90 90 PHE HA H 90 5.220 5.025 0.195 1
1 877 . 10 1 1 A 90 90 PHE C C 90 173.700 174.108 -0.408 1
1 878 . 10 1 1 A 90 90 PHE CA C 90 57.200 57.029 0.171 1
1 879 . 10 1 1 A 90 90 PHE CB C 90 42.000 40.410 1.590 1
1 885 . 10 1 1 A 90 90 PHE N N 90 126.100 126.961 -0.861 1
1 886 . 10 1 1 A 91 91 SER H H 91 8.320 8.984 -0.664 1
1 887 . 10 1 1 A 91 91 SER HA H 91 4.730 5.160 -0.430 1
1 891 . 10 1 1 A 91 91 SER C C 91 172.600 172.428 0.172 1
1 892 . 10 1 1 A 91 91 SER CA C 91 56.500 55.989 0.511 1
1 893 . 10 1 1 A 91 91 SER CB C 91 64.100 65.938 -1.838 1
1 894 . 10 1 1 A 91 91 SER N N 91 123.100 123.122 -0.022 1
1 895 . 10 1 1 A 92 92 MET H H 92 8.660 8.906 -0.246 1
1 896 . 10 1 1 A 92 92 MET HA H 92 5.490 5.382 0.108 1
1 901 . 10 1 1 A 92 92 MET C C 92 174.300 174.301 -0.001 1
1 902 . 10 1 1 A 92 92 MET CA C 92 53.600 53.476 0.124 1
1 903 . 10 1 1 A 92 92 MET CB C 92 37.500 35.424 2.076 1
1 906 . 10 1 1 A 92 92 MET N N 92 119.600 121.149 -1.549 1
1 907 . 10 1 1 A 93 93 LYS H H 93 8.190 8.901 -0.711 1
1 908 . 10 1 1 A 93 93 LYS HA H 93 4.450 4.897 -0.447 1
1 917 . 10 1 1 A 93 93 LYS C C 93 174.400 175.338 -0.938 1
1 918 . 10 1 1 A 93 93 LYS CA C 93 55.400 55.144 0.256 1
1 919 . 10 1 1 A 93 93 LYS CB C 93 34.700 33.986 0.714 1
1 923 . 10 1 1 A 93 93 LYS N N 93 122.700 120.526 2.174 1
1 924 . 10 1 1 A 94 94 CYS H H 94 8.340 8.746 -0.406 1
1 925 . 10 1 1 A 94 94 CYS HA H 94 4.960 4.932 0.028 1
1 928 . 10 1 1 A 94 94 CYS C C 94 173.600 174.222 -0.622 1
1 929 . 10 1 1 A 94 94 CYS CA C 94 56.600 57.988 -1.388 1
1 930 . 10 1 1 A 94 94 CYS CB C 94 29.800 28.497 1.303 1
1 931 . 10 1 1 A 94 94 CYS N N 94 120.300 125.182 -4.882 1
1 932 . 10 1 1 A 95 95 HIS H H 95 9.040 8.703 0.337 1
1 933 . 10 1 1 A 95 95 HIS HA H 95 5.440 5.199 0.241 1
1 936 . 10 1 1 A 95 95 HIS C C 95 175.700 174.457 1.243 1
1 937 . 10 1 1 A 95 95 HIS CA C 95 53.600 54.565 -0.965 1
1 938 . 10 1 1 A 95 95 HIS CB C 95 35.300 34.290 1.010 1
1 939 . 10 1 1 A 95 95 HIS N N 95 122.000 122.281 -0.281 1
1 940 . 10 1 1 A 96 96 THR H H 96 8.910 8.700 0.210 1
1 941 . 10 1 1 A 96 96 THR HA H 96 5.150 4.990 0.160 1
1 945 . 10 1 1 A 96 96 THR CA C 96 60.100 58.318 1.782 1
1 946 . 10 1 1 A 96 96 THR CB C 96 67.600 69.890 -2.290 1
1 948 . 10 1 1 A 96 96 THR N N 96 113.600 112.354 1.246 1
1 949 . 10 1 1 A 97 97 PRO HA H 97 4.060 4.332 -0.272 1
1 956 . 10 1 1 A 97 97 PRO C C 97 178.600 178.950 -0.350 1
1 957 . 10 1 1 A 97 97 PRO CA C 97 66.600 66.105 0.495 1
1 958 . 10 1 1 A 97 97 PRO CB C 97 31.600 31.727 -0.127 1
1 961 . 10 1 1 A 98 98 LEU H H 98 8.410 7.702 0.708 1
1 962 . 10 1 1 A 98 98 LEU HA H 98 4.230 4.021 0.209 1
1 971 . 10 1 1 A 98 98 LEU C C 98 179.800 179.487 0.313 1
1 972 . 10 1 1 A 98 98 LEU CA C 98 58.200 57.643 0.557 1
1 973 . 10 1 1 A 98 98 LEU CB C 98 42.000 41.503 0.497 1
1 976 . 10 1 1 A 98 98 LEU N N 98 118.300 116.858 1.442 1
1 977 . 10 1 1 A 99 99 GLU H H 99 7.660 8.333 -0.673 1
1 978 . 10 1 1 A 99 99 GLU HA H 99 3.900 3.990 -0.090 1
1 983 . 10 1 1 A 99 99 GLU C C 99 180.200 178.830 1.370 1
1 984 . 10 1 1 A 99 99 GLU CA C 99 58.400 59.720 -1.320 1
1 985 . 10 1 1 A 99 99 GLU CB C 99 30.400 29.370 1.030 1
1 987 . 10 1 1 A 99 99 GLU N N 99 118.100 118.044 0.056 1
1 988 . 10 1 1 A 100 100 TYR H H 100 8.770 8.435 0.335 1
1 989 . 10 1 1 A 100 100 TYR HA H 100 3.860 4.096 -0.236 1
1 996 . 10 1 1 A 100 100 TYR C C 100 176.800 177.651 -0.851 1
1 997 . 10 1 1 A 100 100 TYR CA C 100 60.800 61.326 -0.526 1
1 998 . 10 1 1 A 100 100 TYR CB C 100 39.200 38.593 0.607 1
1 1003 . 10 1 1 A 100 100 TYR N N 100 120.100 121.805 -1.705 1
1 1004 . 10 1 1 A 101 101 ASP H H 101 8.100 8.328 -0.228 1
1 1005 . 10 1 1 A 101 101 ASP HA H 101 4.180 4.201 -0.021 1
1 1008 . 10 1 1 A 101 101 ASP C C 101 178.700 178.304 0.396 1
1 1009 . 10 1 1 A 101 101 ASP CA C 101 57.300 57.478 -0.178 1
1 1010 . 10 1 1 A 101 101 ASP CB C 101 40.800 41.370 -0.570 1
1 1011 . 10 1 1 A 101 101 ASP N N 101 118.400 118.838 -0.438 1
1 1012 . 10 1 1 A 102 102 LYS H H 102 7.480 7.532 -0.052 1
1 1013 . 10 1 1 A 102 102 LYS HA H 102 4.070 4.060 0.010 1
1 1020 . 10 1 1 A 102 102 LYS CA C 102 58.300 58.017 0.283 1
1 1021 . 10 1 1 A 102 102 LYS CB C 102 32.300 32.318 -0.018 1
1 1024 . 10 1 1 A 102 102 LYS N N 102 117.500 118.809 -1.309 1
1 1025 . 10 1 1 A 103 103 LEU H H 103 7.580 7.794 -0.214 1
1 1026 . 10 1 1 A 103 103 LEU HA H 103 4.050 3.915 0.135 1
1 1036 . 10 1 1 A 103 103 LEU C C 103 178.700 179.361 -0.661 1
1 1037 . 10 1 1 A 103 103 LEU CA C 103 56.800 57.737 -0.937 1
1 1038 . 10 1 1 A 103 103 LEU CB C 103 42.000 41.332 0.668 1
1 1042 . 10 1 1 A 103 103 LEU N N 103 120.100 119.586 0.514 1
1 1043 . 10 1 1 A 104 104 LYS H H 104 7.730 7.771 -0.041 1
1 1044 . 10 1 1 A 104 104 LYS HA H 104 3.960 3.968 -0.008 1
1 1053 . 10 1 1 A 104 104 LYS CA C 104 56.700 58.174 -1.474 1
1 1054 . 10 1 1 A 104 104 LYS CB C 104 31.700 30.871 0.829 1
1 1058 . 10 1 1 A 104 104 LYS N N 104 118.500 118.380 0.120 1
1 1059 . 10 1 1 A 105 105 SER H H 105 7.790 7.539 0.251 1
1 1060 . 10 1 1 A 105 105 SER HA H 105 4.330 4.145 0.185 1
1 1063 . 10 1 1 A 105 105 SER C C 105 174.700 175.464 -0.764 1
1 1064 . 10 1 1 A 105 105 SER CA C 105 58.900 61.008 -2.108 1
1 1065 . 10 1 1 A 105 105 SER CB C 105 63.500 63.047 0.453 1
1 1066 . 10 1 1 A 105 105 SER N N 105 114.900 115.659 -0.759 1
1 1067 . 10 1 1 A 106 106 LYS H H 106 8.000 7.346 0.654 1
1 1068 . 10 1 1 A 106 106 LYS HA H 106 4.300 4.548 -0.248 1
1 1077 . 10 1 1 A 106 106 LYS C C 106 177.000 176.945 0.055 1
1 1078 . 10 1 1 A 106 106 LYS CA C 106 56.600 56.798 -0.198 1
1 1079 . 10 1 1 A 106 106 LYS CB C 106 32.800 34.576 -1.776 1
1 1081 . 10 1 1 A 106 106 LYS N N 106 122.400 115.435 6.965 1
1 1082 . 10 1 1 A 107 107 GLY H H 107 8.310 7.507 0.803 1
1 1083 . 10 1 1 A 107 107 GLY HA2 H 107 3.990 3.963 0.027 1
1 1084 . 10 1 1 A 107 107 GLY HA3 H 107 3.990 3.989 0.001 1
1 1085 . 10 1 1 A 107 107 GLY CA C 107 45.300 45.467 -0.167 1
1 1086 . 10 1 1 A 107 107 GLY N N 107 110.000 107.765 2.235 1
1 1 . 11 1 1 A 11 11 SER HA H 11 4.510 4.328 0.182 1
1 4 . 11 1 1 A 11 11 SER C C 11 174.600 174.242 0.358 1
1 5 . 11 1 1 A 11 11 SER CA C 11 58.400 58.362 0.038 1
1 6 . 11 1 1 A 11 11 SER CB C 11 63.800 63.725 0.075 1
1 7 . 11 1 1 A 12 12 SER H H 12 8.630 8.704 -0.074 1
1 8 . 11 1 1 A 12 12 SER HA H 12 4.500 4.561 -0.061 1
1 11 . 11 1 1 A 12 12 SER C C 12 175.000 174.910 0.090 1
1 12 . 11 1 1 A 12 12 SER CA C 12 58.600 59.104 -0.504 1
1 13 . 11 1 1 A 12 12 SER CB C 12 63.900 62.276 1.624 1
1 14 . 11 1 1 A 12 12 SER N N 12 118.300 121.511 -3.211 1
1 15 . 11 1 1 A 13 13 GLY H H 13 8.560 8.464 0.096 1
1 16 . 11 1 1 A 13 13 GLY HA2 H 13 4.050 4.200 -0.150 1
1 17 . 11 1 1 A 13 13 GLY HA3 H 13 4.050 4.202 -0.152 1
1 18 . 11 1 1 A 13 13 GLY C C 13 174.300 174.713 -0.413 1
1 19 . 11 1 1 A 13 13 GLY CA C 13 45.400 45.838 -0.438 1
1 20 . 11 1 1 A 13 13 GLY N N 13 111.000 114.678 -3.678 1
1 21 . 11 1 1 A 14 14 ARG H H 14 8.260 7.815 0.445 1
1 22 . 11 1 1 A 14 14 ARG HA H 14 4.320 4.617 -0.297 1
1 29 . 11 1 1 A 14 14 ARG C C 14 176.400 177.048 -0.648 1
1 30 . 11 1 1 A 14 14 ARG CA C 14 56.300 56.761 -0.461 1
1 31 . 11 1 1 A 14 14 ARG CB C 14 30.600 32.257 -1.657 1
1 34 . 11 1 1 A 14 14 ARG N N 14 120.400 118.791 1.609 1
1 35 . 11 1 1 A 15 15 GLU H H 15 8.660 8.284 0.376 1
1 36 . 11 1 1 A 15 15 GLU HA H 15 4.210 4.552 -0.342 1
1 41 . 11 1 1 A 15 15 GLU C C 15 176.200 178.059 -1.859 1
1 42 . 11 1 1 A 15 15 GLU CA C 15 57.200 56.539 0.661 1
1 43 . 11 1 1 A 15 15 GLU CB C 15 29.700 29.469 0.231 1
1 45 . 11 1 1 A 15 15 GLU N N 15 121.100 117.587 3.513 1
1 46 . 11 1 1 A 16 16 ASN H H 16 8.420 8.693 -0.273 1
1 47 . 11 1 1 A 16 16 ASN HA H 16 4.680 4.993 -0.313 1
1 52 . 11 1 1 A 16 16 ASN C C 16 175.100 175.885 -0.785 1
1 53 . 11 1 1 A 16 16 ASN CA C 16 53.300 54.862 -1.562 1
1 54 . 11 1 1 A 16 16 ASN CB C 16 38.700 36.968 1.732 1
1 55 . 11 1 1 A 16 16 ASN N N 16 118.900 120.167 -1.267 1
1 57 . 11 1 1 A 17 17 LEU H H 17 8.110 7.609 0.501 1
1 58 . 11 1 1 A 17 17 LEU HA H 17 4.210 4.152 0.058 1
1 68 . 11 1 1 A 17 17 LEU C C 17 177.000 175.782 1.218 1
1 69 . 11 1 1 A 17 17 LEU CA C 17 55.600 55.623 -0.023 1
1 70 . 11 1 1 A 17 17 LEU CB C 17 42.200 41.914 0.286 1
1 74 . 11 1 1 A 17 17 LEU N N 17 121.900 117.299 4.601 1
1 75 . 11 1 1 A 18 18 TYR H H 18 8.070 8.256 -0.186 1
1 76 . 11 1 1 A 18 18 TYR HA H 18 4.530 4.960 -0.430 1
1 83 . 11 1 1 A 18 18 TYR C C 18 175.700 175.727 -0.027 1
1 84 . 11 1 1 A 18 18 TYR CA C 18 58.000 56.024 1.976 1
1 85 . 11 1 1 A 18 18 TYR CB C 18 38.700 38.963 -0.263 1
1 90 . 11 1 1 A 18 18 TYR N N 18 119.500 118.422 1.078 1
1 91 . 11 1 1 A 19 19 PHE H H 19 8.120 8.253 -0.133 1
1 92 . 11 1 1 A 19 19 PHE HA H 19 4.560 4.507 0.053 1
1 99 . 11 1 1 A 19 19 PHE C C 19 175.500 175.908 -0.408 1
1 100 . 11 1 1 A 19 19 PHE CA C 19 57.900 58.883 -0.983 1
1 101 . 11 1 1 A 19 19 PHE CB C 19 39.500 38.171 1.329 1
1 106 . 11 1 1 A 19 19 PHE N N 19 121.200 121.825 -0.625 1
1 107 . 11 1 1 A 20 20 GLN H H 20 8.300 8.141 0.159 1
1 108 . 11 1 1 A 20 20 GLN HA H 20 4.200 4.280 -0.080 1
1 115 . 11 1 1 A 20 20 GLN C C 20 176.000 176.441 -0.441 1
1 116 . 11 1 1 A 20 20 GLN CA C 20 56.100 55.172 0.928 1
1 117 . 11 1 1 A 20 20 GLN CB C 20 29.100 27.719 1.381 1
1 119 . 11 1 1 A 20 20 GLN N N 20 121.700 118.845 2.855 1
1 121 . 11 1 1 A 21 21 GLY H H 21 7.970 8.294 -0.324 1
1 122 . 11 1 1 A 21 21 GLY HA2 H 21 3.940 3.805 0.135 1
1 123 . 11 1 1 A 21 21 GLY HA3 H 21 3.830 3.873 -0.043 1
1 124 . 11 1 1 A 21 21 GLY CA C 21 45.400 47.602 -2.202 1
1 125 . 11 1 1 A 21 21 GLY N N 21 108.500 109.284 -0.784 1
1 126 . 11 1 1 A 22 22 HIS H H 22 8.280 8.302 -0.022 1
1 127 . 11 1 1 A 22 22 HIS C C 22 174.000 176.282 -2.282 1
1 128 . 11 1 1 A 22 22 HIS CA C 22 56.000 56.358 -0.358 1
1 129 . 11 1 1 A 22 22 HIS CB C 22 29.900 29.946 -0.046 1
1 130 . 11 1 1 A 22 22 HIS N N 22 118.700 119.582 -0.882 1
1 134 . 11 1 1 A 23 23 MET C C 23 175.900 175.556 0.344 1
1 135 . 11 1 1 A 23 23 MET CB C 23 32.700 33.035 -0.335 1
1 137 . 11 1 1 A 24 24 CYS H H 24 8.390 7.596 0.794 1
1 138 . 11 1 1 A 24 24 CYS HA H 24 4.620 4.701 -0.081 1
1 141 . 11 1 1 A 24 24 CYS C C 24 175.400 174.605 0.795 1
1 142 . 11 1 1 A 24 24 CYS CA C 24 58.000 58.030 -0.030 1
1 143 . 11 1 1 A 24 24 CYS CB C 24 27.900 30.756 -2.856 1
1 144 . 11 1 1 A 24 24 CYS N N 24 120.600 115.331 5.269 1
1 145 . 11 1 1 A 25 25 ILE H H 25 8.550 8.636 -0.086 1
1 146 . 11 1 1 A 25 25 ILE HA H 25 4.010 3.910 0.100 1
1 156 . 11 1 1 A 25 25 ILE C C 25 176.200 176.950 -0.750 1
1 157 . 11 1 1 A 25 25 ILE CA C 25 63.400 64.546 -1.146 1
1 158 . 11 1 1 A 25 25 ILE CB C 25 38.100 37.702 0.398 1
1 162 . 11 1 1 A 25 25 ILE N N 25 124.600 127.033 -2.433 1
1 163 . 11 1 1 A 26 26 GLN H H 26 8.860 7.665 1.195 1
1 164 . 11 1 1 A 26 26 GLN HA H 26 3.340 3.792 -0.452 1
1 171 . 11 1 1 A 26 26 GLN C C 26 176.800 177.787 -0.987 1
1 172 . 11 1 1 A 26 26 GLN CA C 26 60.200 58.944 1.256 1
1 173 . 11 1 1 A 26 26 GLN CB C 26 27.800 28.050 -0.250 1
1 175 . 11 1 1 A 26 26 GLN N N 26 121.900 120.767 1.133 1
1 177 . 11 1 1 A 27 27 LYS H H 27 7.340 7.739 -0.399 1
1 178 . 11 1 1 A 27 27 LYS HA H 27 4.070 4.104 -0.034 1
1 181 . 11 1 1 A 27 27 LYS C C 27 177.900 178.510 -0.610 1
1 182 . 11 1 1 A 27 27 LYS CA C 27 58.300 58.748 -0.448 1
1 183 . 11 1 1 A 27 27 LYS CB C 27 31.800 32.448 -0.648 1
1 187 . 11 1 1 A 27 27 LYS N N 27 117.700 120.092 -2.392 1
1 188 . 11 1 1 A 28 28 VAL H H 28 7.570 7.755 -0.185 1
1 189 . 11 1 1 A 28 28 VAL HA H 28 3.680 3.667 0.013 1
1 197 . 11 1 1 A 28 28 VAL C C 28 178.600 177.878 0.722 1
1 198 . 11 1 1 A 28 28 VAL CA C 28 66.400 66.350 0.050 1
1 199 . 11 1 1 A 28 28 VAL CB C 28 31.800 31.493 0.307 1
1 202 . 11 1 1 A 28 28 VAL N N 28 119.900 119.534 0.366 1
1 203 . 11 1 1 A 29 29 ILE H H 29 8.180 8.010 0.170 1
1 204 . 11 1 1 A 29 29 ILE HA H 29 3.290 3.658 -0.368 1
1 212 . 11 1 1 A 29 29 ILE C C 29 177.500 177.769 -0.269 1
1 213 . 11 1 1 A 29 29 ILE CA C 29 65.900 65.732 0.168 1
1 214 . 11 1 1 A 29 29 ILE CB C 29 37.600 37.684 -0.084 1
1 218 . 11 1 1 A 29 29 ILE N N 29 118.500 119.964 -1.464 1
1 219 . 11 1 1 A 30 30 GLU H H 30 8.370 8.507 -0.137 1
1 220 . 11 1 1 A 30 30 GLU HA H 30 3.610 3.922 -0.312 1
1 225 . 11 1 1 A 30 30 GLU C C 30 179.000 178.634 0.366 1
1 226 . 11 1 1 A 30 30 GLU CA C 30 60.400 59.872 0.528 1
1 227 . 11 1 1 A 30 30 GLU CB C 30 29.600 29.148 0.452 1
1 229 . 11 1 1 A 30 30 GLU N N 30 119.200 119.064 0.136 1
1 230 . 11 1 1 A 31 31 ASP H H 31 8.710 8.127 0.583 1
1 231 . 11 1 1 A 31 31 ASP HA H 31 4.370 4.348 0.022 1
1 234 . 11 1 1 A 31 31 ASP CA C 31 57.600 57.163 0.437 1
1 235 . 11 1 1 A 31 31 ASP CB C 31 40.200 41.059 -0.859 1
1 236 . 11 1 1 A 31 31 ASP N N 31 125.100 120.490 4.610 1
1 237 . 11 1 1 A 32 32 LYS H H 32 8.430 7.929 0.501 1
1 238 . 11 1 1 A 32 32 LYS HA H 32 4.030 4.094 -0.064 1
1 243 . 11 1 1 A 32 32 LYS C C 32 180.300 179.500 0.800 1
1 244 . 11 1 1 A 32 32 LYS CA C 32 60.400 59.522 0.878 1
1 245 . 11 1 1 A 32 32 LYS CB C 32 33.100 31.975 1.125 1
1 248 . 11 1 1 A 32 32 LYS N N 32 120.700 119.592 1.108 1
1 249 . 11 1 1 A 33 33 LEU H H 33 8.580 7.645 0.935 1
1 250 . 11 1 1 A 33 33 LEU HA H 33 4.000 4.053 -0.053 1
1 260 . 11 1 1 A 33 33 LEU C C 33 179.200 179.168 0.032 1
1 261 . 11 1 1 A 33 33 LEU CA C 33 58.000 57.807 0.193 1
1 262 . 11 1 1 A 33 33 LEU CB C 33 42.500 41.149 1.351 1
1 266 . 11 1 1 A 33 33 LEU N N 33 117.200 119.276 -2.076 1
1 267 . 11 1 1 A 34 34 SER H H 34 8.670 8.072 0.598 1
1 268 . 11 1 1 A 34 34 SER HA H 34 4.100 4.242 -0.142 1
1 271 . 11 1 1 A 34 34 SER C C 34 176.900 176.832 0.068 1
1 272 . 11 1 1 A 34 34 SER CA C 34 62.500 61.522 0.978 1
1 273 . 11 1 1 A 34 34 SER CB C 34 62.500 63.005 -0.505 1
1 274 . 11 1 1 A 34 34 SER N N 34 115.500 117.588 -2.088 1
1 275 . 11 1 1 A 35 35 SER H H 35 8.080 8.294 -0.214 1
1 276 . 11 1 1 A 35 35 SER HA H 35 4.200 4.163 0.037 1
1 279 . 11 1 1 A 35 35 SER C C 35 175.900 175.925 -0.025 1
1 280 . 11 1 1 A 35 35 SER CA C 35 60.900 61.462 -0.562 1
1 281 . 11 1 1 A 35 35 SER CB C 35 62.900 63.107 -0.207 1
1 282 . 11 1 1 A 35 35 SER N N 35 115.300 117.912 -2.612 1
1 283 . 11 1 1 A 36 36 ALA H H 36 7.570 7.712 -0.142 1
1 284 . 11 1 1 A 36 36 ALA HA H 36 4.340 4.331 0.009 1
1 288 . 11 1 1 A 36 36 ALA C C 36 179.200 179.665 -0.465 1
1 289 . 11 1 1 A 36 36 ALA CA C 36 54.300 54.281 0.019 1
1 290 . 11 1 1 A 36 36 ALA CB C 36 20.900 19.443 1.457 1
1 291 . 11 1 1 A 36 36 ALA N N 36 119.000 122.975 -3.975 1
1 292 . 11 1 1 A 37 37 LEU H H 37 7.960 8.255 -0.295 1
1 293 . 11 1 1 A 37 37 LEU HA H 37 4.530 4.255 0.275 1
1 303 . 11 1 1 A 37 37 LEU CA C 37 53.500 55.612 -2.112 1
1 304 . 11 1 1 A 37 37 LEU CB C 37 42.600 42.465 0.135 1
1 308 . 11 1 1 A 37 37 LEU N N 37 111.800 116.467 -4.667 1
1 309 . 11 1 1 A 38 38 LYS H H 38 7.600 7.827 -0.227 1
1 310 . 11 1 1 A 38 38 LYS HA H 38 4.250 4.293 -0.043 1
1 313 . 11 1 1 A 38 38 LYS CA C 38 56.200 57.271 -1.071 1
1 314 . 11 1 1 A 38 38 LYS CB C 38 30.800 30.983 -0.183 1
1 315 . 11 1 1 A 38 38 LYS N N 38 117.200 119.481 -2.281 1
1 316 . 11 1 1 A 39 39 PRO HA H 39 4.670 4.696 -0.026 1
1 323 . 11 1 1 A 39 39 PRO C C 39 178.100 176.091 2.009 1
1 324 . 11 1 1 A 39 39 PRO CA C 39 63.300 62.355 0.945 1
1 325 . 11 1 1 A 39 39 PRO CB C 39 32.700 32.828 -0.128 1
1 328 . 11 1 1 A 40 40 THR H H 40 8.500 8.799 -0.299 1
1 329 . 11 1 1 A 40 40 THR HA H 40 4.290 4.511 -0.221 1
1 334 . 11 1 1 A 40 40 THR C C 40 175.700 174.681 1.019 1
1 335 . 11 1 1 A 40 40 THR CA C 40 63.200 61.755 1.445 1
1 336 . 11 1 1 A 40 40 THR CB C 40 67.600 69.852 -2.252 1
1 338 . 11 1 1 A 40 40 THR N N 40 114.500 109.040 5.460 1
1 339 . 11 1 1 A 41 41 PHE H H 41 7.300 7.326 -0.026 1
1 340 . 11 1 1 A 41 41 PHE HA H 41 4.510 4.648 -0.138 1
1 347 . 11 1 1 A 41 41 PHE C C 41 171.500 173.017 -1.517 1
1 348 . 11 1 1 A 41 41 PHE CA C 41 58.800 56.528 2.272 1
1 349 . 11 1 1 A 41 41 PHE CB C 41 41.000 42.176 -1.176 1
1 354 . 11 1 1 A 41 41 PHE N N 41 121.100 121.471 -0.371 1
1 355 . 11 1 1 A 42 42 LEU H H 42 7.530 7.690 -0.160 1
1 356 . 11 1 1 A 42 42 LEU HA H 42 4.910 4.735 0.175 1
1 366 . 11 1 1 A 42 42 LEU C C 42 173.700 173.229 0.471 1
1 367 . 11 1 1 A 42 42 LEU CA C 42 53.500 53.901 -0.401 1
1 368 . 11 1 1 A 42 42 LEU CB C 42 45.300 45.544 -0.244 1
1 372 . 11 1 1 A 42 42 LEU N N 42 129.100 127.770 1.330 1
1 373 . 11 1 1 A 43 43 GLU H H 43 8.690 8.816 -0.126 1
1 374 . 11 1 1 A 43 43 GLU HA H 43 4.400 4.616 -0.216 1
1 379 . 11 1 1 A 43 43 GLU C C 43 173.500 174.624 -1.124 1
1 380 . 11 1 1 A 43 43 GLU CA C 43 55.800 54.540 1.260 1
1 381 . 11 1 1 A 43 43 GLU CB C 43 34.100 32.277 1.823 1
1 383 . 11 1 1 A 43 43 GLU N N 43 126.900 127.867 -0.967 1
1 384 . 11 1 1 A 44 44 LEU H H 44 9.000 8.805 0.195 1
1 385 . 11 1 1 A 44 44 LEU HA H 44 5.130 5.007 0.123 1
1 395 . 11 1 1 A 44 44 LEU C C 44 175.100 175.790 -0.690 1
1 396 . 11 1 1 A 44 44 LEU CA C 44 53.700 53.322 0.378 1
1 397 . 11 1 1 A 44 44 LEU CB C 44 44.600 42.758 1.842 1
1 401 . 11 1 1 A 44 44 LEU N N 44 129.900 128.433 1.467 1
1 402 . 11 1 1 A 45 45 VAL H H 45 9.000 9.438 -0.438 1
1 403 . 11 1 1 A 45 45 VAL HA H 45 4.370 4.374 -0.004 1
1 411 . 11 1 1 A 45 45 VAL C C 45 175.100 175.378 -0.278 1
1 412 . 11 1 1 A 45 45 VAL CA C 45 61.200 60.994 0.206 1
1 413 . 11 1 1 A 45 45 VAL CB C 45 35.400 33.981 1.419 1
1 416 . 11 1 1 A 45 45 VAL N N 45 122.300 124.776 -2.476 1
1 417 . 11 1 1 A 46 46 ASP H H 46 9.080 8.712 0.368 1
1 418 . 11 1 1 A 46 46 ASP HA H 46 4.530 4.793 -0.263 1
1 421 . 11 1 1 A 46 46 ASP C C 46 176.900 176.226 0.674 1
1 422 . 11 1 1 A 46 46 ASP CA C 46 53.900 54.474 -0.574 1
1 423 . 11 1 1 A 46 46 ASP CB C 46 40.600 41.037 -0.437 1
1 424 . 11 1 1 A 46 46 ASP N N 46 127.400 127.219 0.181 1
1 425 . 11 1 1 A 47 47 LYS H H 47 8.490 8.625 -0.135 1
1 426 . 11 1 1 A 47 47 LYS HA H 47 4.560 4.526 0.034 1
1 427 . 11 1 1 A 47 47 LYS CA C 47 54.200 54.841 -0.641 1
1 428 . 11 1 1 A 47 47 LYS CB C 47 30.400 32.695 -2.295 1
1 429 . 11 1 1 A 47 47 LYS N N 47 129.500 128.733 0.767 1
1 430 . 11 1 1 A 54 54 SER HA H 54 5.550 5.150 0.400 1
1 433 . 11 1 1 A 54 54 SER C C 54 172.900 173.079 -0.179 1
1 434 . 11 1 1 A 54 54 SER CA C 54 57.300 56.182 1.118 1
1 435 . 11 1 1 A 54 54 SER CB C 54 65.800 66.302 -0.502 1
1 436 . 11 1 1 A 55 55 PHE H H 55 8.340 8.646 -0.306 1
1 437 . 11 1 1 A 55 55 PHE HA H 55 5.700 5.312 0.388 1
1 442 . 11 1 1 A 55 55 PHE C C 55 174.400 173.661 0.739 1
1 443 . 11 1 1 A 55 55 PHE CA C 55 56.700 56.194 0.506 1
1 444 . 11 1 1 A 55 55 PHE CB C 55 45.300 43.605 1.695 1
1 447 . 11 1 1 A 55 55 PHE N N 55 119.600 119.708 -0.108 1
1 448 . 11 1 1 A 56 56 ASP H H 56 8.840 8.959 -0.119 1
1 449 . 11 1 1 A 56 56 ASP HA H 56 5.350 5.258 0.092 1
1 452 . 11 1 1 A 56 56 ASP C C 56 174.400 174.698 -0.298 1
1 453 . 11 1 1 A 56 56 ASP CA C 56 52.900 52.599 0.301 1
1 454 . 11 1 1 A 56 56 ASP CB C 56 43.700 42.991 0.709 1
1 455 . 11 1 1 A 56 56 ASP N N 56 121.500 123.122 -1.622 1
1 456 . 11 1 1 A 57 57 ALA H H 57 8.780 9.145 -0.365 1
1 457 . 11 1 1 A 57 57 ALA HA H 57 5.620 5.448 0.172 1
1 461 . 11 1 1 A 57 57 ALA C C 57 176.400 175.492 0.908 1
1 462 . 11 1 1 A 57 57 ALA CA C 57 50.200 50.022 0.178 1
1 463 . 11 1 1 A 57 57 ALA CB C 57 23.600 21.136 2.464 1
1 464 . 11 1 1 A 57 57 ALA N N 57 125.000 129.459 -4.459 1
1 465 . 11 1 1 A 58 58 VAL H H 58 9.080 9.237 -0.157 1
1 466 . 11 1 1 A 58 58 VAL HA H 58 4.580 4.672 -0.092 1
1 474 . 11 1 1 A 58 58 VAL C C 58 175.000 174.448 0.552 1
1 475 . 11 1 1 A 58 58 VAL CA C 58 62.800 61.956 0.844 1
1 476 . 11 1 1 A 58 58 VAL CB C 58 34.100 32.191 1.909 1
1 479 . 11 1 1 A 58 58 VAL N N 58 125.100 123.230 1.870 1
1 480 . 11 1 1 A 59 59 ILE H H 59 8.750 9.273 -0.523 1
1 481 . 11 1 1 A 59 59 ILE HA H 59 4.430 4.982 -0.552 1
1 489 . 11 1 1 A 59 59 ILE C C 59 173.900 173.763 0.137 1
1 490 . 11 1 1 A 59 59 ILE CA C 59 60.900 59.947 0.953 1
1 491 . 11 1 1 A 59 59 ILE CB C 59 41.100 40.535 0.565 1
1 495 . 11 1 1 A 59 59 ILE N N 59 125.000 129.546 -4.546 1
1 496 . 11 1 1 A 60 60 VAL H H 60 8.540 8.925 -0.385 1
1 497 . 11 1 1 A 60 60 VAL HA H 60 5.540 5.251 0.289 1
1 505 . 11 1 1 A 60 60 VAL C C 60 175.900 174.755 1.145 1
1 506 . 11 1 1 A 60 60 VAL CA C 60 60.200 61.018 -0.818 1
1 507 . 11 1 1 A 60 60 VAL CB C 60 31.800 32.891 -1.091 1
1 510 . 11 1 1 A 60 60 VAL N N 60 128.600 130.844 -2.244 1
1 511 . 11 1 1 A 61 61 SER H H 61 8.720 8.561 0.159 1
1 512 . 11 1 1 A 61 61 SER HA H 61 5.000 5.141 -0.141 1
1 515 . 11 1 1 A 61 61 SER C C 61 175.700 173.997 1.703 1
1 516 . 11 1 1 A 61 61 SER CA C 61 56.500 56.548 -0.048 1
1 517 . 11 1 1 A 61 61 SER CB C 61 64.400 65.313 -0.913 1
1 518 . 11 1 1 A 61 61 SER N N 61 115.900 121.531 -5.631 1
1 519 . 11 1 1 A 62 62 ASN H H 62 9.650 9.236 0.414 1
1 520 . 11 1 1 A 62 62 ASN HA H 62 4.670 4.528 0.142 1
1 525 . 11 1 1 A 62 62 ASN CA C 62 56.500 55.699 0.801 1
1 526 . 11 1 1 A 62 62 ASN CB C 62 38.600 38.120 0.480 1
1 528 . 11 1 1 A 62 62 ASN N N 62 129.400 124.514 4.886 1
1 530 . 11 1 1 A 63 63 ASN H H 63 8.920 8.264 0.656 1
1 531 . 11 1 1 A 63 63 ASN HA H 63 4.490 4.520 -0.030 1
1 536 . 11 1 1 A 63 63 ASN C C 63 175.200 177.196 -1.996 1
1 537 . 11 1 1 A 63 63 ASN CA C 63 55.700 55.808 -0.108 1
1 538 . 11 1 1 A 63 63 ASN CB C 63 37.600 38.805 -1.205 1
1 539 . 11 1 1 A 63 63 ASN N N 63 119.500 117.798 1.702 1
1 541 . 11 1 1 A 64 64 PHE H H 64 6.950 7.600 -0.650 1
1 542 . 11 1 1 A 64 64 PHE HA H 64 4.690 4.365 0.325 1
1 545 . 11 1 1 A 64 64 PHE C C 64 174.200 177.261 -3.061 1
1 546 . 11 1 1 A 64 64 PHE CA C 64 54.900 59.844 -4.944 1
1 547 . 11 1 1 A 64 64 PHE CB C 64 37.500 39.818 -2.318 1
1 548 . 11 1 1 A 64 64 PHE N N 64 113.700 120.358 -6.658 1
1 549 . 11 1 1 A 65 65 GLU H H 65 7.470 8.993 -1.523 1
1 550 . 11 1 1 A 65 65 GLU HA H 65 4.010 4.088 -0.078 1
1 555 . 11 1 1 A 65 65 GLU C C 65 174.800 177.684 -2.884 1
1 556 . 11 1 1 A 65 65 GLU CA C 65 58.400 58.138 0.262 1
1 557 . 11 1 1 A 65 65 GLU CB C 65 29.700 27.866 1.834 1
1 559 . 11 1 1 A 65 65 GLU N N 65 120.500 117.411 3.089 1
1 560 . 11 1 1 A 66 66 ASP H H 66 9.010 7.679 1.331 1
1 561 . 11 1 1 A 66 66 ASP HA H 66 4.390 4.669 -0.279 1
1 564 . 11 1 1 A 66 66 ASP C C 66 175.000 175.630 -0.630 1
1 565 . 11 1 1 A 66 66 ASP CA C 66 55.800 53.834 1.966 1
1 566 . 11 1 1 A 66 66 ASP CB C 66 39.800 41.161 -1.361 1
1 567 . 11 1 1 A 66 66 ASP N N 66 119.200 121.110 -1.910 1
1 568 . 11 1 1 A 67 67 LYS H H 67 7.800 7.515 0.285 1
1 569 . 11 1 1 A 67 67 LYS C C 67 177.400 175.262 2.138 1
1 570 . 11 1 1 A 67 67 LYS CA C 67 54.700 57.559 -2.859 1
1 571 . 11 1 1 A 67 67 LYS CB C 67 38.400 31.921 6.479 1
1 575 . 11 1 1 A 67 67 LYS N N 67 117.200 119.234 -2.034 1
1 576 . 11 1 1 A 68 68 LYS H H 68 9.340 7.835 1.505 1
1 577 . 11 1 1 A 68 68 LYS HA H 68 4.400 4.457 -0.057 1
1 586 . 11 1 1 A 68 68 LYS C C 68 177.500 176.212 1.288 1
1 587 . 11 1 1 A 68 68 LYS CA C 68 55.900 54.773 1.127 1
1 588 . 11 1 1 A 68 68 LYS CB C 68 32.700 30.428 2.272 1
1 592 . 11 1 1 A 68 68 LYS N N 68 125.800 121.172 4.628 1
1 593 . 11 1 1 A 69 69 LEU H H 69 8.710 7.983 0.727 1
1 594 . 11 1 1 A 69 69 LEU HA H 69 3.630 4.286 -0.656 1
1 603 . 11 1 1 A 69 69 LEU C C 69 178.400 178.195 0.205 1
1 604 . 11 1 1 A 69 69 LEU CA C 69 60.300 58.175 2.125 1
1 605 . 11 1 1 A 69 69 LEU CB C 69 41.600 41.822 -0.222 1
1 608 . 11 1 1 A 69 69 LEU N N 69 124.300 126.044 -1.744 1
1 609 . 11 1 1 A 70 70 LEU H H 70 8.700 8.111 0.589 1
1 610 . 11 1 1 A 70 70 LEU HA H 70 3.930 3.983 -0.053 1
1 620 . 11 1 1 A 70 70 LEU C C 70 179.400 178.443 0.957 1
1 621 . 11 1 1 A 70 70 LEU CA C 70 58.200 58.150 0.050 1
1 622 . 11 1 1 A 70 70 LEU CB C 70 41.700 41.250 0.450 1
1 626 . 11 1 1 A 70 70 LEU N N 70 116.100 116.995 -0.895 1
1 627 . 11 1 1 A 71 71 ASP H H 71 7.130 8.493 -1.363 1
1 628 . 11 1 1 A 71 71 ASP HA H 71 4.660 4.331 0.329 1
1 631 . 11 1 1 A 71 71 ASP C C 71 179.000 178.611 0.389 1
1 632 . 11 1 1 A 71 71 ASP CA C 71 57.100 57.706 -0.606 1
1 633 . 11 1 1 A 71 71 ASP CB C 71 40.800 41.258 -0.458 1
1 634 . 11 1 1 A 71 71 ASP N N 71 117.600 119.587 -1.987 1
1 635 . 11 1 1 A 72 72 ARG H H 72 8.190 7.986 0.204 1
1 636 . 11 1 1 A 72 72 ARG HA H 72 3.930 3.976 -0.046 1
1 637 . 11 1 1 A 72 72 ARG C C 72 177.000 178.560 -1.560 1
1 638 . 11 1 1 A 72 72 ARG CA C 72 60.100 59.151 0.949 1
1 639 . 11 1 1 A 72 72 ARG CB C 72 29.300 29.883 -0.583 1
1 642 . 11 1 1 A 72 72 ARG N N 72 122.200 120.083 2.117 1
1 643 . 11 1 1 A 73 73 HIS H H 73 8.030 8.547 -0.517 1
1 644 . 11 1 1 A 73 73 HIS HA H 73 4.100 4.274 -0.174 1
1 648 . 11 1 1 A 73 73 HIS C C 73 177.300 176.916 0.384 1
1 649 . 11 1 1 A 73 73 HIS CA C 73 58.100 59.753 -1.653 1
1 650 . 11 1 1 A 73 73 HIS CB C 73 30.200 29.915 0.285 1
1 652 . 11 1 1 A 73 73 HIS N N 73 116.800 119.503 -2.703 1
1 653 . 11 1 1 A 74 74 ARG H H 74 8.290 8.245 0.045 1
1 654 . 11 1 1 A 74 74 ARG HA H 74 4.080 4.026 0.054 1
1 661 . 11 1 1 A 74 74 ARG C C 74 178.700 178.787 -0.087 1
1 662 . 11 1 1 A 74 74 ARG CA C 74 59.700 58.998 0.702 1
1 663 . 11 1 1 A 74 74 ARG CB C 74 30.400 30.186 0.214 1
1 666 . 11 1 1 A 74 74 ARG N N 74 118.200 118.604 -0.404 1
1 667 . 11 1 1 A 75 75 LEU H H 75 7.740 8.269 -0.529 1
1 668 . 11 1 1 A 75 75 LEU HA H 75 4.270 4.067 0.203 1
1 678 . 11 1 1 A 75 75 LEU CA C 75 58.300 58.138 0.162 1
1 679 . 11 1 1 A 75 75 LEU CB C 75 42.000 42.218 -0.218 1
1 683 . 11 1 1 A 75 75 LEU N N 75 121.200 120.925 0.275 1
1 684 . 11 1 1 A 76 76 VAL H H 76 7.590 7.942 -0.352 1
1 685 . 11 1 1 A 76 76 VAL HA H 76 3.360 3.485 -0.125 1
1 693 . 11 1 1 A 76 76 VAL C C 76 176.800 177.274 -0.474 1
1 694 . 11 1 1 A 76 76 VAL CA C 76 67.500 67.006 0.494 1
1 695 . 11 1 1 A 76 76 VAL CB C 76 31.500 31.076 0.424 1
1 698 . 11 1 1 A 76 76 VAL N N 76 119.300 117.323 1.977 1
1 699 . 11 1 1 A 77 77 ASN H H 77 8.690 8.229 0.461 1
1 700 . 11 1 1 A 77 77 ASN HA H 77 4.190 4.417 -0.227 1
1 705 . 11 1 1 A 77 77 ASN C C 77 178.000 177.979 0.021 1
1 706 . 11 1 1 A 77 77 ASN CA C 77 55.400 56.180 -0.780 1
1 707 . 11 1 1 A 77 77 ASN CB C 77 37.600 37.363 0.237 1
1 708 . 11 1 1 A 77 77 ASN N N 77 117.100 119.571 -2.471 1
1 710 . 11 1 1 A 78 78 THR H H 78 8.050 8.083 -0.033 1
1 711 . 11 1 1 A 78 78 THR HA H 78 3.970 4.050 -0.080 1
1 716 . 11 1 1 A 78 78 THR C C 78 176.900 176.992 -0.092 1
1 717 . 11 1 1 A 78 78 THR CA C 78 66.700 66.869 -0.169 1
1 718 . 11 1 1 A 78 78 THR CB C 78 68.800 67.948 0.852 1
1 720 . 11 1 1 A 78 78 THR N N 78 116.300 117.794 -1.494 1
1 721 . 11 1 1 A 79 79 ILE H H 79 8.020 7.532 0.488 1
1 722 . 11 1 1 A 79 79 ILE HA H 79 3.670 3.766 -0.096 1
1 730 . 11 1 1 A 79 79 ILE CA C 79 65.000 64.212 0.788 1
1 731 . 11 1 1 A 79 79 ILE CB C 79 38.500 38.044 0.456 1
1 734 . 11 1 1 A 79 79 ILE N N 79 124.800 121.178 3.622 1
1 735 . 11 1 1 A 80 80 LEU H H 80 7.770 8.351 -0.581 1
1 745 . 11 1 1 A 80 80 LEU C C 80 176.000 178.990 -2.990 1
1 746 . 11 1 1 A 80 80 LEU CA C 80 52.900 55.773 -2.873 1
1 747 . 11 1 1 A 80 80 LEU CB C 80 41.100 41.587 -0.487 1
1 751 . 11 1 1 A 80 80 LEU N N 80 115.200 119.156 -3.956 1
1 752 . 11 1 1 A 81 81 LYS H H 81 6.880 7.935 -1.055 1
1 753 . 11 1 1 A 81 81 LYS HA H 81 3.820 3.920 -0.100 1
1 762 . 11 1 1 A 81 81 LYS C C 81 178.400 179.349 -0.949 1
1 763 . 11 1 1 A 81 81 LYS CA C 81 60.700 59.861 0.839 1
1 764 . 11 1 1 A 81 81 LYS CB C 81 32.800 32.541 0.259 1
1 768 . 11 1 1 A 81 81 LYS N N 81 120.300 121.309 -1.009 1
1 769 . 11 1 1 A 82 82 GLU H H 82 8.620 8.296 0.324 1
1 770 . 11 1 1 A 82 82 GLU HA H 82 4.020 4.128 -0.108 1
1 773 . 11 1 1 A 82 82 GLU C C 82 178.500 178.928 -0.428 1
1 774 . 11 1 1 A 82 82 GLU CA C 82 59.000 59.309 -0.309 1
1 775 . 11 1 1 A 82 82 GLU CB C 82 28.700 28.989 -0.289 1
1 777 . 11 1 1 A 82 82 GLU N N 82 116.700 118.762 -2.062 1
1 778 . 11 1 1 A 83 83 GLU H H 83 8.070 7.852 0.218 1
1 779 . 11 1 1 A 83 83 GLU HA H 83 3.980 3.991 -0.011 1
1 784 . 11 1 1 A 83 83 GLU C C 83 179.300 179.078 0.222 1
1 785 . 11 1 1 A 83 83 GLU CA C 83 60.900 59.155 1.745 1
1 786 . 11 1 1 A 83 83 GLU CB C 83 28.900 29.427 -0.527 1
1 788 . 11 1 1 A 83 83 GLU N N 83 120.300 120.071 0.229 1
1 789 . 11 1 1 A 84 84 LEU H H 84 8.480 8.527 -0.047 1
1 790 . 11 1 1 A 84 84 LEU HA H 84 3.910 3.948 -0.038 1
1 800 . 11 1 1 A 84 84 LEU C C 84 178.200 179.282 -1.082 1
1 801 . 11 1 1 A 84 84 LEU CA C 84 57.000 58.112 -1.112 1
1 802 . 11 1 1 A 84 84 LEU CB C 84 40.800 41.385 -0.585 1
1 806 . 11 1 1 A 84 84 LEU N N 84 116.700 120.062 -3.362 1
1 807 . 11 1 1 A 85 85 GLN H H 85 7.130 7.656 -0.526 1
1 808 . 11 1 1 A 85 85 GLN HA H 85 4.140 4.108 0.032 1
1 815 . 11 1 1 A 85 85 GLN C C 85 176.300 177.338 -1.038 1
1 816 . 11 1 1 A 85 85 GLN CA C 85 57.900 58.312 -0.412 1
1 817 . 11 1 1 A 85 85 GLN CB C 85 28.900 28.248 0.652 1
1 819 . 11 1 1 A 85 85 GLN N N 85 115.400 116.476 -1.076 1
1 821 . 11 1 1 A 86 86 ASN H H 86 7.630 7.997 -0.367 1
1 822 . 11 1 1 A 86 86 ASN HA H 86 5.020 4.817 0.203 1
1 827 . 11 1 1 A 86 86 ASN C C 86 174.100 175.161 -1.061 1
1 828 . 11 1 1 A 86 86 ASN CA C 86 52.800 54.246 -1.446 1
1 829 . 11 1 1 A 86 86 ASN CB C 86 40.400 39.295 1.105 1
1 830 . 11 1 1 A 86 86 ASN N N 86 114.000 115.745 -1.745 1
1 832 . 11 1 1 A 87 87 ILE H H 87 7.300 8.084 -0.784 1
1 833 . 11 1 1 A 87 87 ILE HA H 87 4.320 4.741 -0.421 1
1 843 . 11 1 1 A 87 87 ILE C C 87 174.500 175.666 -1.166 1
1 844 . 11 1 1 A 87 87 ILE CA C 87 60.400 59.529 0.871 1
1 845 . 11 1 1 A 87 87 ILE CB C 87 40.600 41.318 -0.718 1
1 849 . 11 1 1 A 87 87 ILE N N 87 119.300 118.885 0.415 1
1 850 . 11 1 1 A 88 88 HIS H H 88 9.140 8.562 0.578 1
1 851 . 11 1 1 A 88 88 HIS HA H 88 4.680 4.989 -0.309 1
1 855 . 11 1 1 A 88 88 HIS CA C 88 57.300 55.066 2.234 1
1 856 . 11 1 1 A 88 88 HIS CB C 88 30.200 31.345 -1.145 1
1 858 . 11 1 1 A 88 88 HIS N N 88 125.000 119.536 5.464 1
1 859 . 11 1 1 A 89 89 ALA H H 89 7.600 7.373 0.227 1
1 860 . 11 1 1 A 89 89 ALA HA H 89 4.620 4.428 0.192 1
1 864 . 11 1 1 A 89 89 ALA C C 89 174.300 175.345 -1.045 1
1 865 . 11 1 1 A 89 89 ALA CA C 89 52.300 51.688 0.612 1
1 866 . 11 1 1 A 89 89 ALA CB C 89 21.300 20.075 1.225 1
1 867 . 11 1 1 A 89 89 ALA N N 89 120.100 120.932 -0.832 1
1 868 . 11 1 1 A 90 90 PHE H H 90 8.830 8.989 -0.159 1
1 869 . 11 1 1 A 90 90 PHE HA H 90 5.220 5.382 -0.162 1
1 877 . 11 1 1 A 90 90 PHE C C 90 173.700 173.586 0.114 1
1 878 . 11 1 1 A 90 90 PHE CA C 90 57.200 56.593 0.607 1
1 879 . 11 1 1 A 90 90 PHE CB C 90 42.000 42.677 -0.677 1
1 885 . 11 1 1 A 90 90 PHE N N 90 126.100 126.151 -0.051 1
1 886 . 11 1 1 A 91 91 SER H H 91 8.320 8.689 -0.369 1
1 887 . 11 1 1 A 91 91 SER HA H 91 4.730 5.334 -0.604 1
1 891 . 11 1 1 A 91 91 SER C C 91 172.600 173.340 -0.740 1
1 892 . 11 1 1 A 91 91 SER CA C 91 56.500 55.528 0.972 1
1 893 . 11 1 1 A 91 91 SER CB C 91 64.100 65.905 -1.805 1
1 894 . 11 1 1 A 91 91 SER N N 91 123.100 120.980 2.120 1
1 895 . 11 1 1 A 92 92 MET H H 92 8.660 9.154 -0.494 1
1 896 . 11 1 1 A 92 92 MET HA H 92 5.490 5.540 -0.050 1
1 901 . 11 1 1 A 92 92 MET C C 92 174.300 174.928 -0.628 1
1 902 . 11 1 1 A 92 92 MET CA C 92 53.600 53.233 0.367 1
1 903 . 11 1 1 A 92 92 MET CB C 92 37.500 35.234 2.266 1
1 906 . 11 1 1 A 92 92 MET N N 92 119.600 120.327 -0.727 1
1 907 . 11 1 1 A 93 93 LYS H H 93 8.190 9.145 -0.955 1
1 908 . 11 1 1 A 93 93 LYS HA H 93 4.450 4.963 -0.513 1
1 917 . 11 1 1 A 93 93 LYS C C 93 174.400 175.120 -0.720 1
1 918 . 11 1 1 A 93 93 LYS CA C 93 55.400 54.467 0.933 1
1 919 . 11 1 1 A 93 93 LYS CB C 93 34.700 34.910 -0.210 1
1 923 . 11 1 1 A 93 93 LYS N N 93 122.700 120.316 2.384 1
1 924 . 11 1 1 A 94 94 CYS H H 94 8.340 8.786 -0.446 1
1 925 . 11 1 1 A 94 94 CYS HA H 94 4.960 5.507 -0.547 1
1 928 . 11 1 1 A 94 94 CYS C C 94 173.600 173.660 -0.060 1
1 929 . 11 1 1 A 94 94 CYS CA C 94 56.600 57.176 -0.576 1
1 930 . 11 1 1 A 94 94 CYS CB C 94 29.800 29.679 0.121 1
1 931 . 11 1 1 A 94 94 CYS N N 94 120.300 124.428 -4.128 1
1 932 . 11 1 1 A 95 95 HIS H H 95 9.040 9.010 0.030 1
1 933 . 11 1 1 A 95 95 HIS HA H 95 5.440 5.204 0.236 1
1 936 . 11 1 1 A 95 95 HIS C C 95 175.700 174.762 0.938 1
1 937 . 11 1 1 A 95 95 HIS CA C 95 53.600 54.532 -0.932 1
1 938 . 11 1 1 A 95 95 HIS CB C 95 35.300 34.907 0.393 1
1 939 . 11 1 1 A 95 95 HIS N N 95 122.000 120.386 1.614 1
1 940 . 11 1 1 A 96 96 THR H H 96 8.910 8.923 -0.013 1
1 941 . 11 1 1 A 96 96 THR HA H 96 5.150 5.018 0.132 1
1 945 . 11 1 1 A 96 96 THR CA C 96 60.100 58.788 1.312 1
1 946 . 11 1 1 A 96 96 THR CB C 96 67.600 69.950 -2.350 1
1 948 . 11 1 1 A 96 96 THR N N 96 113.600 112.539 1.061 1
1 949 . 11 1 1 A 97 97 PRO HA H 97 4.060 4.546 -0.486 1
1 956 . 11 1 1 A 97 97 PRO C C 97 178.600 178.556 0.044 1
1 957 . 11 1 1 A 97 97 PRO CA C 97 66.600 64.813 1.787 1
1 958 . 11 1 1 A 97 97 PRO CB C 97 31.600 31.960 -0.360 1
1 961 . 11 1 1 A 98 98 LEU H H 98 8.410 7.700 0.710 1
1 962 . 11 1 1 A 98 98 LEU HA H 98 4.230 4.041 0.189 1
1 971 . 11 1 1 A 98 98 LEU C C 98 179.800 179.322 0.478 1
1 972 . 11 1 1 A 98 98 LEU CA C 98 58.200 57.778 0.422 1
1 973 . 11 1 1 A 98 98 LEU CB C 98 42.000 41.611 0.389 1
1 976 . 11 1 1 A 98 98 LEU N N 98 118.300 117.879 0.421 1
1 977 . 11 1 1 A 99 99 GLU H H 99 7.660 7.906 -0.246 1
1 978 . 11 1 1 A 99 99 GLU HA H 99 3.900 3.925 -0.025 1
1 983 . 11 1 1 A 99 99 GLU C C 99 180.200 178.920 1.280 1
1 984 . 11 1 1 A 99 99 GLU CA C 99 58.400 59.806 -1.406 1
1 985 . 11 1 1 A 99 99 GLU CB C 99 30.400 29.538 0.862 1
1 987 . 11 1 1 A 99 99 GLU N N 99 118.100 117.492 0.608 1
1 988 . 11 1 1 A 100 100 TYR H H 100 8.770 8.020 0.750 1
1 989 . 11 1 1 A 100 100 TYR HA H 100 3.860 4.134 -0.274 1
1 996 . 11 1 1 A 100 100 TYR C C 100 176.800 177.354 -0.554 1
1 997 . 11 1 1 A 100 100 TYR CA C 100 60.800 61.180 -0.380 1
1 998 . 11 1 1 A 100 100 TYR CB C 100 39.200 38.600 0.600 1
1 1003 . 11 1 1 A 100 100 TYR N N 100 120.100 121.935 -1.835 1
1 1004 . 11 1 1 A 101 101 ASP H H 101 8.100 8.697 -0.597 1
1 1005 . 11 1 1 A 101 101 ASP HA H 101 4.180 4.092 0.088 1
1 1008 . 11 1 1 A 101 101 ASP C C 101 178.700 178.210 0.490 1
1 1009 . 11 1 1 A 101 101 ASP CA C 101 57.300 57.620 -0.320 1
1 1010 . 11 1 1 A 101 101 ASP CB C 101 40.800 42.119 -1.319 1
1 1011 . 11 1 1 A 101 101 ASP N N 101 118.400 119.321 -0.921 1
1 1012 . 11 1 1 A 102 102 LYS H H 102 7.480 7.272 0.208 1
1 1013 . 11 1 1 A 102 102 LYS HA H 102 4.070 3.928 0.142 1
1 1020 . 11 1 1 A 102 102 LYS CA C 102 58.300 59.676 -1.376 1
1 1021 . 11 1 1 A 102 102 LYS CB C 102 32.300 32.325 -0.025 1
1 1024 . 11 1 1 A 102 102 LYS N N 102 117.500 118.807 -1.307 1
1 1025 . 11 1 1 A 103 103 LEU H H 103 7.580 7.819 -0.239 1
1 1026 . 11 1 1 A 103 103 LEU HA H 103 4.050 3.885 0.165 1
1 1036 . 11 1 1 A 103 103 LEU C C 103 178.700 179.349 -0.649 1
1 1037 . 11 1 1 A 103 103 LEU CA C 103 56.800 57.760 -0.960 1
1 1038 . 11 1 1 A 103 103 LEU CB C 103 42.000 40.976 1.024 1
1 1042 . 11 1 1 A 103 103 LEU N N 103 120.100 120.107 -0.007 1
1 1043 . 11 1 1 A 104 104 LYS H H 104 7.730 7.835 -0.105 1
1 1044 . 11 1 1 A 104 104 LYS HA H 104 3.960 3.849 0.111 1
1 1053 . 11 1 1 A 104 104 LYS CA C 104 56.700 58.693 -1.993 1
1 1054 . 11 1 1 A 104 104 LYS CB C 104 31.700 31.401 0.299 1
1 1058 . 11 1 1 A 104 104 LYS N N 104 118.500 118.282 0.218 1
1 1059 . 11 1 1 A 105 105 SER H H 105 7.790 7.914 -0.124 1
1 1060 . 11 1 1 A 105 105 SER HA H 105 4.330 4.100 0.230 1
1 1063 . 11 1 1 A 105 105 SER C C 105 174.700 175.347 -0.647 1
1 1064 . 11 1 1 A 105 105 SER CA C 105 58.900 61.444 -2.544 1
1 1065 . 11 1 1 A 105 105 SER CB C 105 63.500 62.928 0.572 1
1 1066 . 11 1 1 A 105 105 SER N N 105 114.900 114.790 0.110 1
1 1067 . 11 1 1 A 106 106 LYS H H 106 8.000 7.650 0.350 1
1 1068 . 11 1 1 A 106 106 LYS HA H 106 4.300 4.384 -0.084 1
1 1077 . 11 1 1 A 106 106 LYS C C 106 177.000 177.101 -0.101 1
1 1078 . 11 1 1 A 106 106 LYS CA C 106 56.600 56.679 -0.079 1
1 1079 . 11 1 1 A 106 106 LYS CB C 106 32.800 34.574 -1.774 1
1 1081 . 11 1 1 A 106 106 LYS N N 106 122.400 117.187 5.213 1
1 1082 . 11 1 1 A 107 107 GLY H H 107 8.310 7.820 0.490 1
1 1083 . 11 1 1 A 107 107 GLY HA2 H 107 3.990 3.874 0.116 1
1 1084 . 11 1 1 A 107 107 GLY HA3 H 107 3.990 3.899 0.091 1
1 1085 . 11 1 1 A 107 107 GLY CA C 107 45.300 45.393 -0.093 1
1 1086 . 11 1 1 A 107 107 GLY N N 107 110.000 108.388 1.612 1
1 1 . 12 1 1 A 11 11 SER HA H 11 4.510 5.189 -0.679 1
1 4 . 12 1 1 A 11 11 SER C C 11 174.600 173.365 1.235 1
1 5 . 12 1 1 A 11 11 SER CA C 11 58.400 57.634 0.766 1
1 6 . 12 1 1 A 11 11 SER CB C 11 63.800 65.012 -1.212 1
1 7 . 12 1 1 A 12 12 SER H H 12 8.630 8.841 -0.211 1
1 8 . 12 1 1 A 12 12 SER HA H 12 4.500 5.417 -0.917 1
1 11 . 12 1 1 A 12 12 SER C C 12 175.000 173.908 1.092 1
1 12 . 12 1 1 A 12 12 SER CA C 12 58.600 56.673 1.927 1
1 13 . 12 1 1 A 12 12 SER CB C 12 63.900 64.926 -1.026 1
1 14 . 12 1 1 A 12 12 SER N N 12 118.300 119.449 -1.149 1
1 15 . 12 1 1 A 13 13 GLY H H 13 8.560 8.392 0.168 1
1 16 . 12 1 1 A 13 13 GLY HA2 H 13 4.050 4.169 -0.119 1
1 17 . 12 1 1 A 13 13 GLY HA3 H 13 4.050 4.172 -0.122 1
1 18 . 12 1 1 A 13 13 GLY C C 13 174.300 174.748 -0.448 1
1 19 . 12 1 1 A 13 13 GLY CA C 13 45.400 45.684 -0.284 1
1 20 . 12 1 1 A 13 13 GLY N N 13 111.000 111.744 -0.744 1
1 21 . 12 1 1 A 14 14 ARG H H 14 8.260 7.969 0.291 1
1 22 . 12 1 1 A 14 14 ARG HA H 14 4.320 4.664 -0.344 1
1 29 . 12 1 1 A 14 14 ARG C C 14 176.400 177.185 -0.785 1
1 30 . 12 1 1 A 14 14 ARG CA C 14 56.300 56.553 -0.253 1
1 31 . 12 1 1 A 14 14 ARG CB C 14 30.600 32.613 -2.013 1
1 34 . 12 1 1 A 14 14 ARG N N 14 120.400 117.763 2.637 1
1 35 . 12 1 1 A 15 15 GLU H H 15 8.660 8.354 0.306 1
1 36 . 12 1 1 A 15 15 GLU HA H 15 4.210 4.532 -0.322 1
1 41 . 12 1 1 A 15 15 GLU C C 15 176.200 177.376 -1.176 1
1 42 . 12 1 1 A 15 15 GLU CA C 15 57.200 57.270 -0.070 1
1 43 . 12 1 1 A 15 15 GLU CB C 15 29.700 29.509 0.191 1
1 45 . 12 1 1 A 15 15 GLU N N 15 121.100 119.741 1.359 1
1 46 . 12 1 1 A 16 16 ASN H H 16 8.420 8.728 -0.308 1
1 47 . 12 1 1 A 16 16 ASN HA H 16 4.680 4.590 0.090 1
1 52 . 12 1 1 A 16 16 ASN C C 16 175.100 176.284 -1.184 1
1 53 . 12 1 1 A 16 16 ASN CA C 16 53.300 54.928 -1.628 1
1 54 . 12 1 1 A 16 16 ASN CB C 16 38.700 36.940 1.760 1
1 55 . 12 1 1 A 16 16 ASN N N 16 118.900 119.363 -0.463 1
1 57 . 12 1 1 A 17 17 LEU H H 17 8.110 7.729 0.381 1
1 58 . 12 1 1 A 17 17 LEU HA H 17 4.210 4.208 0.002 1
1 68 . 12 1 1 A 17 17 LEU C C 17 177.000 176.561 0.439 1
1 69 . 12 1 1 A 17 17 LEU CA C 17 55.600 56.044 -0.444 1
1 70 . 12 1 1 A 17 17 LEU CB C 17 42.200 41.834 0.366 1
1 74 . 12 1 1 A 17 17 LEU N N 17 121.900 117.731 4.169 1
1 75 . 12 1 1 A 18 18 TYR H H 18 8.070 7.711 0.359 1
1 76 . 12 1 1 A 18 18 TYR HA H 18 4.530 5.055 -0.525 1
1 83 . 12 1 1 A 18 18 TYR C C 18 175.700 175.995 -0.295 1
1 84 . 12 1 1 A 18 18 TYR CA C 18 58.000 56.942 1.058 1
1 85 . 12 1 1 A 18 18 TYR CB C 18 38.700 40.168 -1.468 1
1 90 . 12 1 1 A 18 18 TYR N N 18 119.500 118.766 0.734 1
1 91 . 12 1 1 A 19 19 PHE H H 19 8.120 9.010 -0.890 1
1 92 . 12 1 1 A 19 19 PHE HA H 19 4.560 4.852 -0.292 1
1 99 . 12 1 1 A 19 19 PHE C C 19 175.500 174.996 0.504 1
1 100 . 12 1 1 A 19 19 PHE CA C 19 57.900 57.210 0.690 1
1 101 . 12 1 1 A 19 19 PHE CB C 19 39.500 38.699 0.801 1
1 106 . 12 1 1 A 19 19 PHE N N 19 121.200 120.298 0.902 1
1 107 . 12 1 1 A 20 20 GLN H H 20 8.300 7.837 0.463 1
1 108 . 12 1 1 A 20 20 GLN HA H 20 4.200 3.965 0.235 1
1 115 . 12 1 1 A 20 20 GLN C C 20 176.000 175.876 0.124 1
1 116 . 12 1 1 A 20 20 GLN CA C 20 56.100 56.862 -0.762 1
1 117 . 12 1 1 A 20 20 GLN CB C 20 29.100 25.926 3.174 1
1 119 . 12 1 1 A 20 20 GLN N N 20 121.700 113.346 8.354 1
1 121 . 12 1 1 A 21 21 GLY H H 21 7.970 7.127 0.843 1
1 122 . 12 1 1 A 21 21 GLY HA2 H 21 3.940 3.124 0.816 1
1 123 . 12 1 1 A 21 21 GLY HA3 H 21 3.830 3.364 0.466 1
1 124 . 12 1 1 A 21 21 GLY CA C 21 45.400 46.901 -1.501 1
1 125 . 12 1 1 A 21 21 GLY N N 21 108.500 106.381 2.119 1
1 126 . 12 1 1 A 22 22 HIS H H 22 8.280 7.487 0.793 1
1 127 . 12 1 1 A 22 22 HIS C C 22 174.000 174.312 -0.312 1
1 128 . 12 1 1 A 22 22 HIS CA C 22 56.000 53.916 2.084 1
1 129 . 12 1 1 A 22 22 HIS CB C 22 29.900 30.640 -0.740 1
1 130 . 12 1 1 A 22 22 HIS N N 22 118.700 113.298 5.402 1
1 134 . 12 1 1 A 23 23 MET C C 23 175.900 175.938 -0.038 1
1 135 . 12 1 1 A 23 23 MET CB C 23 32.700 34.842 -2.142 1
1 137 . 12 1 1 A 24 24 CYS H H 24 8.390 7.678 0.712 1
1 138 . 12 1 1 A 24 24 CYS HA H 24 4.620 4.734 -0.114 1
1 141 . 12 1 1 A 24 24 CYS C C 24 175.400 174.619 0.781 1
1 142 . 12 1 1 A 24 24 CYS CA C 24 58.000 57.985 0.015 1
1 143 . 12 1 1 A 24 24 CYS CB C 24 27.900 30.915 -3.015 1
1 144 . 12 1 1 A 24 24 CYS N N 24 120.600 114.262 6.338 1
1 145 . 12 1 1 A 25 25 ILE H H 25 8.550 8.687 -0.137 1
1 146 . 12 1 1 A 25 25 ILE HA H 25 4.010 3.919 0.091 1
1 156 . 12 1 1 A 25 25 ILE C C 25 176.200 176.918 -0.718 1
1 157 . 12 1 1 A 25 25 ILE CA C 25 63.400 63.983 -0.583 1
1 158 . 12 1 1 A 25 25 ILE CB C 25 38.100 37.851 0.249 1
1 162 . 12 1 1 A 25 25 ILE N N 25 124.600 127.940 -3.340 1
1 163 . 12 1 1 A 26 26 GLN H H 26 8.860 7.718 1.142 1
1 164 . 12 1 1 A 26 26 GLN HA H 26 3.340 3.678 -0.338 1
1 171 . 12 1 1 A 26 26 GLN C C 26 176.800 177.870 -1.070 1
1 172 . 12 1 1 A 26 26 GLN CA C 26 60.200 58.971 1.229 1
1 173 . 12 1 1 A 26 26 GLN CB C 26 27.800 27.978 -0.178 1
1 175 . 12 1 1 A 26 26 GLN N N 26 121.900 121.346 0.554 1
1 177 . 12 1 1 A 27 27 LYS H H 27 7.340 7.576 -0.236 1
1 178 . 12 1 1 A 27 27 LYS HA H 27 4.070 4.138 -0.068 1
1 181 . 12 1 1 A 27 27 LYS C C 27 177.900 178.736 -0.836 1
1 182 . 12 1 1 A 27 27 LYS CA C 27 58.300 58.749 -0.449 1
1 183 . 12 1 1 A 27 27 LYS CB C 27 31.800 31.875 -0.075 1
1 187 . 12 1 1 A 27 27 LYS N N 27 117.700 119.795 -2.095 1
1 188 . 12 1 1 A 28 28 VAL H H 28 7.570 7.632 -0.062 1
1 189 . 12 1 1 A 28 28 VAL HA H 28 3.680 3.630 0.050 1
1 197 . 12 1 1 A 28 28 VAL C C 28 178.600 178.529 0.071 1
1 198 . 12 1 1 A 28 28 VAL CA C 28 66.400 66.407 -0.007 1
1 199 . 12 1 1 A 28 28 VAL CB C 28 31.800 31.688 0.112 1
1 202 . 12 1 1 A 28 28 VAL N N 28 119.900 119.365 0.535 1
1 203 . 12 1 1 A 29 29 ILE H H 29 8.180 7.972 0.208 1
1 204 . 12 1 1 A 29 29 ILE HA H 29 3.290 3.750 -0.460 1
1 212 . 12 1 1 A 29 29 ILE C C 29 177.500 178.002 -0.502 1
1 213 . 12 1 1 A 29 29 ILE CA C 29 65.900 65.650 0.250 1
1 214 . 12 1 1 A 29 29 ILE CB C 29 37.600 37.658 -0.058 1
1 218 . 12 1 1 A 29 29 ILE N N 29 118.500 119.334 -0.834 1
1 219 . 12 1 1 A 30 30 GLU H H 30 8.370 8.491 -0.121 1
1 220 . 12 1 1 A 30 30 GLU HA H 30 3.610 3.857 -0.247 1
1 225 . 12 1 1 A 30 30 GLU C C 30 179.000 178.494 0.506 1
1 226 . 12 1 1 A 30 30 GLU CA C 30 60.400 59.915 0.485 1
1 227 . 12 1 1 A 30 30 GLU CB C 30 29.600 29.212 0.388 1
1 229 . 12 1 1 A 30 30 GLU N N 30 119.200 121.040 -1.840 1
1 230 . 12 1 1 A 31 31 ASP H H 31 8.710 8.274 0.436 1
1 231 . 12 1 1 A 31 31 ASP HA H 31 4.370 4.332 0.038 1
1 234 . 12 1 1 A 31 31 ASP CA C 31 57.600 57.233 0.367 1
1 235 . 12 1 1 A 31 31 ASP CB C 31 40.200 40.966 -0.766 1
1 236 . 12 1 1 A 31 31 ASP N N 31 125.100 120.357 4.743 1
1 237 . 12 1 1 A 32 32 LYS H H 32 8.430 7.925 0.505 1
1 238 . 12 1 1 A 32 32 LYS HA H 32 4.030 4.032 -0.002 1
1 243 . 12 1 1 A 32 32 LYS C C 32 180.300 179.322 0.978 1
1 244 . 12 1 1 A 32 32 LYS CA C 32 60.400 59.768 0.632 1
1 245 . 12 1 1 A 32 32 LYS CB C 32 33.100 32.087 1.013 1
1 248 . 12 1 1 A 32 32 LYS N N 32 120.700 120.244 0.456 1
1 249 . 12 1 1 A 33 33 LEU H H 33 8.580 7.626 0.954 1
1 250 . 12 1 1 A 33 33 LEU HA H 33 4.000 4.052 -0.052 1
1 260 . 12 1 1 A 33 33 LEU C C 33 179.200 178.815 0.385 1
1 261 . 12 1 1 A 33 33 LEU CA C 33 58.000 57.738 0.262 1
1 262 . 12 1 1 A 33 33 LEU CB C 33 42.500 41.202 1.298 1
1 266 . 12 1 1 A 33 33 LEU N N 33 117.200 119.104 -1.904 1
1 267 . 12 1 1 A 34 34 SER H H 34 8.670 7.720 0.950 1
1 268 . 12 1 1 A 34 34 SER HA H 34 4.100 4.181 -0.081 1
1 271 . 12 1 1 A 34 34 SER C C 34 176.900 177.179 -0.279 1
1 272 . 12 1 1 A 34 34 SER CA C 34 62.500 61.455 1.045 1
1 273 . 12 1 1 A 34 34 SER CB C 34 62.500 62.793 -0.293 1
1 274 . 12 1 1 A 34 34 SER N N 34 115.500 115.473 0.027 1
1 275 . 12 1 1 A 35 35 SER H H 35 8.080 7.889 0.191 1
1 276 . 12 1 1 A 35 35 SER HA H 35 4.200 4.197 0.003 1
1 279 . 12 1 1 A 35 35 SER C C 35 175.900 175.868 0.032 1
1 280 . 12 1 1 A 35 35 SER CA C 35 60.900 61.419 -0.519 1
1 281 . 12 1 1 A 35 35 SER CB C 35 62.900 63.225 -0.325 1
1 282 . 12 1 1 A 35 35 SER N N 35 115.300 116.957 -1.657 1
1 283 . 12 1 1 A 36 36 ALA H H 36 7.570 7.831 -0.261 1
1 284 . 12 1 1 A 36 36 ALA HA H 36 4.340 4.283 0.057 1
1 288 . 12 1 1 A 36 36 ALA C C 36 179.200 179.782 -0.582 1
1 289 . 12 1 1 A 36 36 ALA CA C 36 54.300 54.507 -0.207 1
1 290 . 12 1 1 A 36 36 ALA CB C 36 20.900 19.196 1.704 1
1 291 . 12 1 1 A 36 36 ALA N N 36 119.000 123.603 -4.603 1
1 292 . 12 1 1 A 37 37 LEU H H 37 7.960 8.199 -0.239 1
1 293 . 12 1 1 A 37 37 LEU HA H 37 4.530 4.183 0.347 1
1 303 . 12 1 1 A 37 37 LEU CA C 37 53.500 56.143 -2.643 1
1 304 . 12 1 1 A 37 37 LEU CB C 37 42.600 42.643 -0.043 1
1 308 . 12 1 1 A 37 37 LEU N N 37 111.800 116.213 -4.413 1
1 309 . 12 1 1 A 38 38 LYS H H 38 7.600 7.799 -0.199 1
1 310 . 12 1 1 A 38 38 LYS HA H 38 4.250 4.288 -0.038 1
1 313 . 12 1 1 A 38 38 LYS CA C 38 56.200 57.170 -0.970 1
1 314 . 12 1 1 A 38 38 LYS CB C 38 30.800 30.971 -0.171 1
1 315 . 12 1 1 A 38 38 LYS N N 38 117.200 119.428 -2.228 1
1 316 . 12 1 1 A 39 39 PRO HA H 39 4.670 4.690 -0.020 1
1 323 . 12 1 1 A 39 39 PRO C C 39 178.100 176.868 1.232 1
1 324 . 12 1 1 A 39 39 PRO CA C 39 63.300 62.105 1.195 1
1 325 . 12 1 1 A 39 39 PRO CB C 39 32.700 32.678 0.022 1
1 328 . 12 1 1 A 40 40 THR H H 40 8.500 8.585 -0.085 1
1 329 . 12 1 1 A 40 40 THR HA H 40 4.290 4.353 -0.063 1
1 334 . 12 1 1 A 40 40 THR C C 40 175.700 174.814 0.886 1
1 335 . 12 1 1 A 40 40 THR CA C 40 63.200 62.758 0.442 1
1 336 . 12 1 1 A 40 40 THR CB C 40 67.600 69.321 -1.721 1
1 338 . 12 1 1 A 40 40 THR N N 40 114.500 111.917 2.583 1
1 339 . 12 1 1 A 41 41 PHE H H 41 7.300 7.359 -0.059 1
1 340 . 12 1 1 A 41 41 PHE HA H 41 4.510 4.671 -0.161 1
1 347 . 12 1 1 A 41 41 PHE C C 41 171.500 172.912 -1.412 1
1 348 . 12 1 1 A 41 41 PHE CA C 41 58.800 56.753 2.047 1
1 349 . 12 1 1 A 41 41 PHE CB C 41 41.000 42.112 -1.112 1
1 354 . 12 1 1 A 41 41 PHE N N 41 121.100 121.572 -0.472 1
1 355 . 12 1 1 A 42 42 LEU H H 42 7.530 8.397 -0.867 1
1 356 . 12 1 1 A 42 42 LEU HA H 42 4.910 5.037 -0.127 1
1 366 . 12 1 1 A 42 42 LEU C C 42 173.700 174.072 -0.372 1
1 367 . 12 1 1 A 42 42 LEU CA C 42 53.500 53.861 -0.361 1
1 368 . 12 1 1 A 42 42 LEU CB C 42 45.300 45.824 -0.524 1
1 372 . 12 1 1 A 42 42 LEU N N 42 129.100 128.623 0.477 1
1 373 . 12 1 1 A 43 43 GLU H H 43 8.690 8.629 0.061 1
1 374 . 12 1 1 A 43 43 GLU HA H 43 4.400 4.906 -0.506 1
1 379 . 12 1 1 A 43 43 GLU C C 43 173.500 174.404 -0.904 1
1 380 . 12 1 1 A 43 43 GLU CA C 43 55.800 54.647 1.153 1
1 381 . 12 1 1 A 43 43 GLU CB C 43 34.100 33.190 0.910 1
1 383 . 12 1 1 A 43 43 GLU N N 43 126.900 126.603 0.297 1
1 384 . 12 1 1 A 44 44 LEU H H 44 9.000 8.797 0.203 1
1 385 . 12 1 1 A 44 44 LEU HA H 44 5.130 5.128 0.002 1
1 395 . 12 1 1 A 44 44 LEU C C 44 175.100 175.795 -0.695 1
1 396 . 12 1 1 A 44 44 LEU CA C 44 53.700 53.158 0.542 1
1 397 . 12 1 1 A 44 44 LEU CB C 44 44.600 42.295 2.305 1
1 401 . 12 1 1 A 44 44 LEU N N 44 129.900 128.538 1.362 1
1 402 . 12 1 1 A 45 45 VAL H H 45 9.000 9.589 -0.589 1
1 403 . 12 1 1 A 45 45 VAL HA H 45 4.370 4.550 -0.180 1
1 411 . 12 1 1 A 45 45 VAL C C 45 175.100 174.843 0.257 1
1 412 . 12 1 1 A 45 45 VAL CA C 45 61.200 61.298 -0.098 1
1 413 . 12 1 1 A 45 45 VAL CB C 45 35.400 33.576 1.824 1
1 416 . 12 1 1 A 45 45 VAL N N 45 122.300 125.071 -2.771 1
1 417 . 12 1 1 A 46 46 ASP H H 46 9.080 8.888 0.192 1
1 418 . 12 1 1 A 46 46 ASP HA H 46 4.530 4.752 -0.222 1
1 421 . 12 1 1 A 46 46 ASP C C 46 176.900 175.578 1.322 1
1 422 . 12 1 1 A 46 46 ASP CA C 46 53.900 53.432 0.468 1
1 423 . 12 1 1 A 46 46 ASP CB C 46 40.600 40.504 0.096 1
1 424 . 12 1 1 A 46 46 ASP N N 46 127.400 127.146 0.254 1
1 425 . 12 1 1 A 47 47 LYS H H 47 8.490 8.604 -0.114 1
1 426 . 12 1 1 A 47 47 LYS HA H 47 4.560 4.448 0.112 1
1 427 . 12 1 1 A 47 47 LYS CA C 47 54.200 55.237 -1.037 1
1 428 . 12 1 1 A 47 47 LYS CB C 47 30.400 30.550 -0.150 1
1 429 . 12 1 1 A 47 47 LYS N N 47 129.500 126.870 2.630 1
1 430 . 12 1 1 A 54 54 SER HA H 54 5.550 5.074 0.476 1
1 433 . 12 1 1 A 54 54 SER C C 54 172.900 172.312 0.588 1
1 434 . 12 1 1 A 54 54 SER CA C 54 57.300 57.597 -0.297 1
1 435 . 12 1 1 A 54 54 SER CB C 54 65.800 66.323 -0.523 1
1 436 . 12 1 1 A 55 55 PHE H H 55 8.340 9.184 -0.844 1
1 437 . 12 1 1 A 55 55 PHE HA H 55 5.700 5.173 0.527 1
1 442 . 12 1 1 A 55 55 PHE C C 55 174.400 173.390 1.010 1
1 443 . 12 1 1 A 55 55 PHE CA C 55 56.700 56.189 0.511 1
1 444 . 12 1 1 A 55 55 PHE CB C 55 45.300 43.670 1.630 1
1 447 . 12 1 1 A 55 55 PHE N N 55 119.600 123.631 -4.031 1
1 448 . 12 1 1 A 56 56 ASP H H 56 8.840 9.077 -0.237 1
1 449 . 12 1 1 A 56 56 ASP HA H 56 5.350 5.569 -0.219 1
1 452 . 12 1 1 A 56 56 ASP C C 56 174.400 174.436 -0.036 1
1 453 . 12 1 1 A 56 56 ASP CA C 56 52.900 52.382 0.518 1
1 454 . 12 1 1 A 56 56 ASP CB C 56 43.700 44.514 -0.814 1
1 455 . 12 1 1 A 56 56 ASP N N 56 121.500 120.314 1.186 1
1 456 . 12 1 1 A 57 57 ALA H H 57 8.780 8.854 -0.074 1
1 457 . 12 1 1 A 57 57 ALA HA H 57 5.620 5.127 0.493 1
1 461 . 12 1 1 A 57 57 ALA C C 57 176.400 175.844 0.556 1
1 462 . 12 1 1 A 57 57 ALA CA C 57 50.200 50.213 -0.013 1
1 463 . 12 1 1 A 57 57 ALA CB C 57 23.600 20.781 2.819 1
1 464 . 12 1 1 A 57 57 ALA N N 57 125.000 129.343 -4.343 1
1 465 . 12 1 1 A 58 58 VAL H H 58 9.080 9.087 -0.007 1
1 466 . 12 1 1 A 58 58 VAL HA H 58 4.580 4.516 0.064 1
1 474 . 12 1 1 A 58 58 VAL C C 58 175.000 174.617 0.383 1
1 475 . 12 1 1 A 58 58 VAL CA C 58 62.800 62.659 0.141 1
1 476 . 12 1 1 A 58 58 VAL CB C 58 34.100 31.580 2.520 1
1 479 . 12 1 1 A 58 58 VAL N N 58 125.100 123.282 1.818 1
1 480 . 12 1 1 A 59 59 ILE H H 59 8.750 9.073 -0.323 1
1 481 . 12 1 1 A 59 59 ILE HA H 59 4.430 4.964 -0.534 1
1 489 . 12 1 1 A 59 59 ILE C C 59 173.900 173.810 0.090 1
1 490 . 12 1 1 A 59 59 ILE CA C 59 60.900 60.157 0.743 1
1 491 . 12 1 1 A 59 59 ILE CB C 59 41.100 40.553 0.547 1
1 495 . 12 1 1 A 59 59 ILE N N 59 125.000 129.554 -4.554 1
1 496 . 12 1 1 A 60 60 VAL H H 60 8.540 9.078 -0.538 1
1 497 . 12 1 1 A 60 60 VAL HA H 60 5.540 5.404 0.136 1
1 505 . 12 1 1 A 60 60 VAL C C 60 175.900 174.819 1.081 1
1 506 . 12 1 1 A 60 60 VAL CA C 60 60.200 61.286 -1.086 1
1 507 . 12 1 1 A 60 60 VAL CB C 60 31.800 32.458 -0.658 1
1 510 . 12 1 1 A 60 60 VAL N N 60 128.600 132.202 -3.602 1
1 511 . 12 1 1 A 61 61 SER H H 61 8.720 8.817 -0.097 1
1 512 . 12 1 1 A 61 61 SER HA H 61 5.000 5.140 -0.140 1
1 515 . 12 1 1 A 61 61 SER C C 61 175.700 174.164 1.536 1
1 516 . 12 1 1 A 61 61 SER CA C 61 56.500 56.713 -0.213 1
1 517 . 12 1 1 A 61 61 SER CB C 61 64.400 65.521 -1.121 1
1 518 . 12 1 1 A 61 61 SER N N 61 115.900 121.525 -5.625 1
1 519 . 12 1 1 A 62 62 ASN H H 62 9.650 9.189 0.461 1
1 520 . 12 1 1 A 62 62 ASN HA H 62 4.670 4.495 0.175 1
1 525 . 12 1 1 A 62 62 ASN CA C 62 56.500 55.615 0.885 1
1 526 . 12 1 1 A 62 62 ASN CB C 62 38.600 38.099 0.501 1
1 528 . 12 1 1 A 62 62 ASN N N 62 129.400 124.731 4.669 1
1 530 . 12 1 1 A 63 63 ASN H H 63 8.920 7.925 0.995 1
1 531 . 12 1 1 A 63 63 ASN HA H 63 4.490 4.301 0.189 1
1 536 . 12 1 1 A 63 63 ASN C C 63 175.200 176.425 -1.225 1
1 537 . 12 1 1 A 63 63 ASN CA C 63 55.700 55.269 0.431 1
1 538 . 12 1 1 A 63 63 ASN CB C 63 37.600 38.207 -0.607 1
1 539 . 12 1 1 A 63 63 ASN N N 63 119.500 117.610 1.890 1
1 541 . 12 1 1 A 64 64 PHE H H 64 6.950 7.517 -0.567 1
1 542 . 12 1 1 A 64 64 PHE HA H 64 4.690 4.857 -0.167 1
1 545 . 12 1 1 A 64 64 PHE C C 64 174.200 176.120 -1.920 1
1 546 . 12 1 1 A 64 64 PHE CA C 64 54.900 57.195 -2.295 1
1 547 . 12 1 1 A 64 64 PHE CB C 64 37.500 39.164 -1.664 1
1 548 . 12 1 1 A 64 64 PHE N N 64 113.700 115.415 -1.715 1
1 549 . 12 1 1 A 65 65 GLU H H 65 7.470 8.800 -1.330 1
1 550 . 12 1 1 A 65 65 GLU HA H 65 4.010 4.174 -0.164 1
1 555 . 12 1 1 A 65 65 GLU C C 65 174.800 176.957 -2.157 1
1 556 . 12 1 1 A 65 65 GLU CA C 65 58.400 58.360 0.040 1
1 557 . 12 1 1 A 65 65 GLU CB C 65 29.700 27.967 1.733 1
1 559 . 12 1 1 A 65 65 GLU N N 65 120.500 118.973 1.527 1
1 560 . 12 1 1 A 66 66 ASP H H 66 9.010 7.832 1.178 1
1 561 . 12 1 1 A 66 66 ASP HA H 66 4.390 4.803 -0.413 1
1 564 . 12 1 1 A 66 66 ASP C C 66 175.000 175.714 -0.714 1
1 565 . 12 1 1 A 66 66 ASP CA C 66 55.800 53.424 2.376 1
1 566 . 12 1 1 A 66 66 ASP CB C 66 39.800 40.809 -1.009 1
1 567 . 12 1 1 A 66 66 ASP N N 66 119.200 121.032 -1.832 1
1 568 . 12 1 1 A 67 67 LYS H H 67 7.800 7.699 0.101 1
1 569 . 12 1 1 A 67 67 LYS C C 67 177.400 175.521 1.879 1
1 570 . 12 1 1 A 67 67 LYS CA C 67 54.700 57.384 -2.684 1
1 571 . 12 1 1 A 67 67 LYS CB C 67 38.400 29.697 8.703 1
1 575 . 12 1 1 A 67 67 LYS N N 67 117.200 115.761 1.439 1
1 576 . 12 1 1 A 68 68 LYS H H 68 9.340 8.323 1.017 1
1 577 . 12 1 1 A 68 68 LYS HA H 68 4.400 4.608 -0.208 1
1 586 . 12 1 1 A 68 68 LYS C C 68 177.500 176.381 1.119 1
1 587 . 12 1 1 A 68 68 LYS CA C 68 55.900 55.122 0.778 1
1 588 . 12 1 1 A 68 68 LYS CB C 68 32.700 30.872 1.828 1
1 592 . 12 1 1 A 68 68 LYS N N 68 125.800 119.198 6.602 1
1 593 . 12 1 1 A 69 69 LEU H H 69 8.710 8.235 0.475 1
1 594 . 12 1 1 A 69 69 LEU HA H 69 3.630 4.063 -0.433 1
1 603 . 12 1 1 A 69 69 LEU C C 69 178.400 178.181 0.219 1
1 604 . 12 1 1 A 69 69 LEU CA C 69 60.300 58.171 2.129 1
1 605 . 12 1 1 A 69 69 LEU CB C 69 41.600 42.025 -0.425 1
1 608 . 12 1 1 A 69 69 LEU N N 69 124.300 126.093 -1.793 1
1 609 . 12 1 1 A 70 70 LEU H H 70 8.700 8.029 0.671 1
1 610 . 12 1 1 A 70 70 LEU HA H 70 3.930 4.008 -0.078 1
1 620 . 12 1 1 A 70 70 LEU C C 70 179.400 178.501 0.899 1
1 621 . 12 1 1 A 70 70 LEU CA C 70 58.200 57.973 0.227 1
1 622 . 12 1 1 A 70 70 LEU CB C 70 41.700 41.171 0.529 1
1 626 . 12 1 1 A 70 70 LEU N N 70 116.100 117.178 -1.078 1
1 627 . 12 1 1 A 71 71 ASP H H 71 7.130 8.465 -1.335 1
1 628 . 12 1 1 A 71 71 ASP HA H 71 4.660 4.416 0.244 1
1 631 . 12 1 1 A 71 71 ASP C C 71 179.000 178.507 0.493 1
1 632 . 12 1 1 A 71 71 ASP CA C 71 57.100 57.564 -0.464 1
1 633 . 12 1 1 A 71 71 ASP CB C 71 40.800 41.040 -0.240 1
1 634 . 12 1 1 A 71 71 ASP N N 71 117.600 119.680 -2.080 1
1 635 . 12 1 1 A 72 72 ARG H H 72 8.190 7.858 0.332 1
1 636 . 12 1 1 A 72 72 ARG HA H 72 3.930 4.077 -0.147 1
1 637 . 12 1 1 A 72 72 ARG C C 72 177.000 178.615 -1.615 1
1 638 . 12 1 1 A 72 72 ARG CA C 72 60.100 59.048 1.052 1
1 639 . 12 1 1 A 72 72 ARG CB C 72 29.300 29.509 -0.209 1
1 642 . 12 1 1 A 72 72 ARG N N 72 122.200 120.339 1.861 1
1 643 . 12 1 1 A 73 73 HIS H H 73 8.030 8.027 0.003 1
1 644 . 12 1 1 A 73 73 HIS HA H 73 4.100 4.255 -0.155 1
1 648 . 12 1 1 A 73 73 HIS C C 73 177.300 177.130 0.170 1
1 649 . 12 1 1 A 73 73 HIS CA C 73 58.100 59.946 -1.846 1
1 650 . 12 1 1 A 73 73 HIS CB C 73 30.200 29.813 0.387 1
1 652 . 12 1 1 A 73 73 HIS N N 73 116.800 119.419 -2.619 1
1 653 . 12 1 1 A 74 74 ARG H H 74 8.290 8.251 0.039 1
1 654 . 12 1 1 A 74 74 ARG HA H 74 4.080 4.048 0.032 1
1 661 . 12 1 1 A 74 74 ARG C C 74 178.700 179.052 -0.352 1
1 662 . 12 1 1 A 74 74 ARG CA C 74 59.700 58.897 0.803 1
1 663 . 12 1 1 A 74 74 ARG CB C 74 30.400 30.124 0.276 1
1 666 . 12 1 1 A 74 74 ARG N N 74 118.200 118.576 -0.376 1
1 667 . 12 1 1 A 75 75 LEU H H 75 7.740 8.405 -0.665 1
1 668 . 12 1 1 A 75 75 LEU HA H 75 4.270 4.105 0.165 1
1 678 . 12 1 1 A 75 75 LEU CA C 75 58.300 58.164 0.136 1
1 679 . 12 1 1 A 75 75 LEU CB C 75 42.000 41.913 0.087 1
1 683 . 12 1 1 A 75 75 LEU N N 75 121.200 121.133 0.067 1
1 684 . 12 1 1 A 76 76 VAL H H 76 7.590 7.815 -0.225 1
1 685 . 12 1 1 A 76 76 VAL HA H 76 3.360 3.494 -0.134 1
1 693 . 12 1 1 A 76 76 VAL C C 76 176.800 177.315 -0.515 1
1 694 . 12 1 1 A 76 76 VAL CA C 76 67.500 66.996 0.504 1
1 695 . 12 1 1 A 76 76 VAL CB C 76 31.500 31.135 0.365 1
1 698 . 12 1 1 A 76 76 VAL N N 76 119.300 117.965 1.335 1
1 699 . 12 1 1 A 77 77 ASN H H 77 8.690 7.921 0.769 1
1 700 . 12 1 1 A 77 77 ASN HA H 77 4.190 4.438 -0.248 1
1 705 . 12 1 1 A 77 77 ASN C C 77 178.000 178.293 -0.293 1
1 706 . 12 1 1 A 77 77 ASN CA C 77 55.400 56.349 -0.949 1
1 707 . 12 1 1 A 77 77 ASN CB C 77 37.600 38.290 -0.690 1
1 708 . 12 1 1 A 77 77 ASN N N 77 117.100 119.580 -2.480 1
1 710 . 12 1 1 A 78 78 THR H H 78 8.050 8.232 -0.182 1
1 711 . 12 1 1 A 78 78 THR HA H 78 3.970 3.946 0.024 1
1 716 . 12 1 1 A 78 78 THR C C 78 176.900 176.377 0.523 1
1 717 . 12 1 1 A 78 78 THR CA C 78 66.700 67.356 -0.656 1
1 718 . 12 1 1 A 78 78 THR CB C 78 68.800 68.817 -0.017 1
1 720 . 12 1 1 A 78 78 THR N N 78 116.300 116.309 -0.009 1
1 721 . 12 1 1 A 79 79 ILE H H 79 8.020 7.890 0.130 1
1 722 . 12 1 1 A 79 79 ILE HA H 79 3.670 3.824 -0.154 1
1 730 . 12 1 1 A 79 79 ILE CA C 79 65.000 64.205 0.795 1
1 731 . 12 1 1 A 79 79 ILE CB C 79 38.500 37.995 0.505 1
1 734 . 12 1 1 A 79 79 ILE N N 79 124.800 120.550 4.250 1
1 735 . 12 1 1 A 80 80 LEU H H 80 7.770 8.078 -0.308 1
1 745 . 12 1 1 A 80 80 LEU C C 80 176.000 178.666 -2.666 1
1 746 . 12 1 1 A 80 80 LEU CA C 80 52.900 55.609 -2.709 1
1 747 . 12 1 1 A 80 80 LEU CB C 80 41.100 41.514 -0.414 1
1 751 . 12 1 1 A 80 80 LEU N N 80 115.200 119.315 -4.115 1
1 752 . 12 1 1 A 81 81 LYS H H 81 6.880 7.789 -0.909 1
1 753 . 12 1 1 A 81 81 LYS HA H 81 3.820 3.854 -0.034 1
1 762 . 12 1 1 A 81 81 LYS C C 81 178.400 179.062 -0.662 1
1 763 . 12 1 1 A 81 81 LYS CA C 81 60.700 59.790 0.910 1
1 764 . 12 1 1 A 81 81 LYS CB C 81 32.800 32.424 0.376 1
1 768 . 12 1 1 A 81 81 LYS N N 81 120.300 121.379 -1.079 1
1 769 . 12 1 1 A 82 82 GLU H H 82 8.620 7.647 0.973 1
1 770 . 12 1 1 A 82 82 GLU HA H 82 4.020 4.072 -0.052 1
1 773 . 12 1 1 A 82 82 GLU C C 82 178.500 178.692 -0.192 1
1 774 . 12 1 1 A 82 82 GLU CA C 82 59.000 58.981 0.019 1
1 775 . 12 1 1 A 82 82 GLU CB C 82 28.700 29.228 -0.528 1
1 777 . 12 1 1 A 82 82 GLU N N 82 116.700 118.875 -2.175 1
1 778 . 12 1 1 A 83 83 GLU H H 83 8.070 7.676 0.394 1
1 779 . 12 1 1 A 83 83 GLU HA H 83 3.980 3.937 0.043 1
1 784 . 12 1 1 A 83 83 GLU C C 83 179.300 178.792 0.508 1
1 785 . 12 1 1 A 83 83 GLU CA C 83 60.900 59.203 1.697 1
1 786 . 12 1 1 A 83 83 GLU CB C 83 28.900 29.449 -0.549 1
1 788 . 12 1 1 A 83 83 GLU N N 83 120.300 119.687 0.613 1
1 789 . 12 1 1 A 84 84 LEU H H 84 8.480 8.420 0.060 1
1 790 . 12 1 1 A 84 84 LEU HA H 84 3.910 3.867 0.043 1
1 800 . 12 1 1 A 84 84 LEU C C 84 178.200 179.459 -1.259 1
1 801 . 12 1 1 A 84 84 LEU CA C 84 57.000 58.028 -1.028 1
1 802 . 12 1 1 A 84 84 LEU CB C 84 40.800 41.317 -0.517 1
1 806 . 12 1 1 A 84 84 LEU N N 84 116.700 120.002 -3.302 1
1 807 . 12 1 1 A 85 85 GLN H H 85 7.130 7.687 -0.557 1
1 808 . 12 1 1 A 85 85 GLN HA H 85 4.140 4.013 0.127 1
1 815 . 12 1 1 A 85 85 GLN C C 85 176.300 177.157 -0.857 1
1 816 . 12 1 1 A 85 85 GLN CA C 85 57.900 58.715 -0.815 1
1 817 . 12 1 1 A 85 85 GLN CB C 85 28.900 28.334 0.566 1
1 819 . 12 1 1 A 85 85 GLN N N 85 115.400 116.456 -1.056 1
1 821 . 12 1 1 A 86 86 ASN H H 86 7.630 7.819 -0.189 1
1 822 . 12 1 1 A 86 86 ASN HA H 86 5.020 4.750 0.270 1
1 827 . 12 1 1 A 86 86 ASN C C 86 174.100 174.600 -0.500 1
1 828 . 12 1 1 A 86 86 ASN CA C 86 52.800 53.303 -0.503 1
1 829 . 12 1 1 A 86 86 ASN CB C 86 40.400 39.253 1.147 1
1 830 . 12 1 1 A 86 86 ASN N N 86 114.000 115.607 -1.607 1
1 832 . 12 1 1 A 87 87 ILE H H 87 7.300 7.835 -0.535 1
1 833 . 12 1 1 A 87 87 ILE HA H 87 4.320 4.529 -0.209 1
1 843 . 12 1 1 A 87 87 ILE C C 87 174.500 175.009 -0.509 1
1 844 . 12 1 1 A 87 87 ILE CA C 87 60.400 59.281 1.119 1
1 845 . 12 1 1 A 87 87 ILE CB C 87 40.600 41.541 -0.941 1
1 849 . 12 1 1 A 87 87 ILE N N 87 119.300 119.229 0.071 1
1 850 . 12 1 1 A 88 88 HIS H H 88 9.140 8.444 0.696 1
1 851 . 12 1 1 A 88 88 HIS HA H 88 4.680 4.715 -0.035 1
1 855 . 12 1 1 A 88 88 HIS CA C 88 57.300 57.341 -0.041 1
1 856 . 12 1 1 A 88 88 HIS CB C 88 30.200 30.817 -0.617 1
1 858 . 12 1 1 A 88 88 HIS N N 88 125.000 121.292 3.708 1
1 859 . 12 1 1 A 89 89 ALA H H 89 7.600 8.184 -0.584 1
1 860 . 12 1 1 A 89 89 ALA HA H 89 4.620 4.449 0.171 1
1 864 . 12 1 1 A 89 89 ALA C C 89 174.300 177.080 -2.780 1
1 865 . 12 1 1 A 89 89 ALA CA C 89 52.300 51.392 0.908 1
1 866 . 12 1 1 A 89 89 ALA CB C 89 21.300 18.352 2.948 1
1 867 . 12 1 1 A 89 89 ALA N N 89 120.100 118.909 1.191 1
1 868 . 12 1 1 A 90 90 PHE H H 90 8.830 8.531 0.299 1
1 869 . 12 1 1 A 90 90 PHE HA H 90 5.220 4.804 0.416 1
1 877 . 12 1 1 A 90 90 PHE C C 90 173.700 174.898 -1.198 1
1 878 . 12 1 1 A 90 90 PHE CA C 90 57.200 59.326 -2.126 1
1 879 . 12 1 1 A 90 90 PHE CB C 90 42.000 39.912 2.088 1
1 885 . 12 1 1 A 90 90 PHE N N 90 126.100 123.002 3.098 1
1 886 . 12 1 1 A 91 91 SER H H 91 8.320 8.010 0.310 1
1 887 . 12 1 1 A 91 91 SER HA H 91 4.730 4.859 -0.129 1
1 891 . 12 1 1 A 91 91 SER C C 91 172.600 171.872 0.728 1
1 892 . 12 1 1 A 91 91 SER CA C 91 56.500 56.201 0.299 1
1 893 . 12 1 1 A 91 91 SER CB C 91 64.100 65.797 -1.697 1
1 894 . 12 1 1 A 91 91 SER N N 91 123.100 121.497 1.603 1
1 895 . 12 1 1 A 92 92 MET H H 92 8.660 8.850 -0.190 1
1 896 . 12 1 1 A 92 92 MET HA H 92 5.490 5.291 0.199 1
1 901 . 12 1 1 A 92 92 MET C C 92 174.300 174.161 0.139 1
1 902 . 12 1 1 A 92 92 MET CA C 92 53.600 53.581 0.019 1
1 903 . 12 1 1 A 92 92 MET CB C 92 37.500 35.704 1.796 1
1 906 . 12 1 1 A 92 92 MET N N 92 119.600 120.037 -0.437 1
1 907 . 12 1 1 A 93 93 LYS H H 93 8.190 8.969 -0.779 1
1 908 . 12 1 1 A 93 93 LYS HA H 93 4.450 4.860 -0.410 1
1 917 . 12 1 1 A 93 93 LYS C C 93 174.400 175.507 -1.107 1
1 918 . 12 1 1 A 93 93 LYS CA C 93 55.400 54.641 0.759 1
1 919 . 12 1 1 A 93 93 LYS CB C 93 34.700 34.325 0.375 1
1 923 . 12 1 1 A 93 93 LYS N N 93 122.700 119.825 2.875 1
1 924 . 12 1 1 A 94 94 CYS H H 94 8.340 8.687 -0.347 1
1 925 . 12 1 1 A 94 94 CYS HA H 94 4.960 4.889 0.071 1
1 928 . 12 1 1 A 94 94 CYS C C 94 173.600 174.154 -0.554 1
1 929 . 12 1 1 A 94 94 CYS CA C 94 56.600 58.178 -1.578 1
1 930 . 12 1 1 A 94 94 CYS CB C 94 29.800 28.617 1.183 1
1 931 . 12 1 1 A 94 94 CYS N N 94 120.300 124.942 -4.642 1
1 932 . 12 1 1 A 95 95 HIS H H 95 9.040 9.227 -0.187 1
1 933 . 12 1 1 A 95 95 HIS HA H 95 5.440 5.171 0.269 1
1 936 . 12 1 1 A 95 95 HIS C C 95 175.700 174.383 1.317 1
1 937 . 12 1 1 A 95 95 HIS CA C 95 53.600 54.559 -0.959 1
1 938 . 12 1 1 A 95 95 HIS CB C 95 35.300 34.177 1.123 1
1 939 . 12 1 1 A 95 95 HIS N N 95 122.000 121.414 0.586 1
1 940 . 12 1 1 A 96 96 THR H H 96 8.910 8.657 0.253 1
1 941 . 12 1 1 A 96 96 THR HA H 96 5.150 4.970 0.180 1
1 945 . 12 1 1 A 96 96 THR CA C 96 60.100 58.662 1.438 1
1 946 . 12 1 1 A 96 96 THR CB C 96 67.600 69.830 -2.230 1
1 948 . 12 1 1 A 96 96 THR N N 96 113.600 112.378 1.222 1
1 949 . 12 1 1 A 97 97 PRO HA H 97 4.060 4.423 -0.363 1
1 956 . 12 1 1 A 97 97 PRO C C 97 178.600 178.823 -0.223 1
1 957 . 12 1 1 A 97 97 PRO CA C 97 66.600 65.622 0.978 1
1 958 . 12 1 1 A 97 97 PRO CB C 97 31.600 31.778 -0.178 1
1 961 . 12 1 1 A 98 98 LEU H H 98 8.410 7.575 0.835 1
1 962 . 12 1 1 A 98 98 LEU HA H 98 4.230 4.017 0.213 1
1 971 . 12 1 1 A 98 98 LEU C C 98 179.800 179.253 0.547 1
1 972 . 12 1 1 A 98 98 LEU CA C 98 58.200 57.627 0.573 1
1 973 . 12 1 1 A 98 98 LEU CB C 98 42.000 41.425 0.575 1
1 976 . 12 1 1 A 98 98 LEU N N 98 118.300 117.399 0.901 1
1 977 . 12 1 1 A 99 99 GLU H H 99 7.660 8.004 -0.344 1
1 978 . 12 1 1 A 99 99 GLU HA H 99 3.900 3.979 -0.079 1
1 983 . 12 1 1 A 99 99 GLU C C 99 180.200 178.708 1.492 1
1 984 . 12 1 1 A 99 99 GLU CA C 99 58.400 59.611 -1.211 1
1 985 . 12 1 1 A 99 99 GLU CB C 99 30.400 29.380 1.020 1
1 987 . 12 1 1 A 99 99 GLU N N 99 118.100 118.061 0.039 1
1 988 . 12 1 1 A 100 100 TYR H H 100 8.770 8.158 0.612 1
1 989 . 12 1 1 A 100 100 TYR HA H 100 3.860 4.142 -0.282 1
1 996 . 12 1 1 A 100 100 TYR C C 100 176.800 177.603 -0.803 1
1 997 . 12 1 1 A 100 100 TYR CA C 100 60.800 61.224 -0.424 1
1 998 . 12 1 1 A 100 100 TYR CB C 100 39.200 38.618 0.582 1
1 1003 . 12 1 1 A 100 100 TYR N N 100 120.100 121.489 -1.389 1
1 1004 . 12 1 1 A 101 101 ASP H H 101 8.100 8.197 -0.097 1
1 1005 . 12 1 1 A 101 101 ASP HA H 101 4.180 4.046 0.134 1
1 1008 . 12 1 1 A 101 101 ASP C C 101 178.700 178.534 0.166 1
1 1009 . 12 1 1 A 101 101 ASP CA C 101 57.300 57.419 -0.119 1
1 1010 . 12 1 1 A 101 101 ASP CB C 101 40.800 42.012 -1.212 1
1 1011 . 12 1 1 A 101 101 ASP N N 101 118.400 119.023 -0.623 1
1 1012 . 12 1 1 A 102 102 LYS H H 102 7.480 7.638 -0.158 1
1 1013 . 12 1 1 A 102 102 LYS HA H 102 4.070 4.049 0.021 1
1 1020 . 12 1 1 A 102 102 LYS CA C 102 58.300 58.963 -0.663 1
1 1021 . 12 1 1 A 102 102 LYS CB C 102 32.300 32.079 0.221 1
1 1024 . 12 1 1 A 102 102 LYS N N 102 117.500 118.813 -1.313 1
1 1025 . 12 1 1 A 103 103 LEU H H 103 7.580 7.790 -0.210 1
1 1026 . 12 1 1 A 103 103 LEU HA H 103 4.050 3.910 0.140 1
1 1036 . 12 1 1 A 103 103 LEU C C 103 178.700 179.501 -0.801 1
1 1037 . 12 1 1 A 103 103 LEU CA C 103 56.800 57.816 -1.016 1
1 1038 . 12 1 1 A 103 103 LEU CB C 103 42.000 41.407 0.593 1
1 1042 . 12 1 1 A 103 103 LEU N N 103 120.100 120.275 -0.175 1
1 1043 . 12 1 1 A 104 104 LYS H H 104 7.730 8.100 -0.370 1
1 1044 . 12 1 1 A 104 104 LYS HA H 104 3.960 3.926 0.034 1
1 1053 . 12 1 1 A 104 104 LYS CA C 104 56.700 58.334 -1.634 1
1 1054 . 12 1 1 A 104 104 LYS CB C 104 31.700 30.777 0.923 1
1 1058 . 12 1 1 A 104 104 LYS N N 104 118.500 118.318 0.182 1
1 1059 . 12 1 1 A 105 105 SER H H 105 7.790 7.518 0.272 1
1 1060 . 12 1 1 A 105 105 SER HA H 105 4.330 4.094 0.236 1
1 1063 . 12 1 1 A 105 105 SER C C 105 174.700 175.778 -1.078 1
1 1064 . 12 1 1 A 105 105 SER CA C 105 58.900 60.959 -2.059 1
1 1065 . 12 1 1 A 105 105 SER CB C 105 63.500 62.999 0.501 1
1 1066 . 12 1 1 A 105 105 SER N N 105 114.900 115.293 -0.393 1
1 1067 . 12 1 1 A 106 106 LYS H H 106 8.000 7.350 0.650 1
1 1068 . 12 1 1 A 106 106 LYS HA H 106 4.300 4.425 -0.125 1
1 1077 . 12 1 1 A 106 106 LYS C C 106 177.000 177.308 -0.308 1
1 1078 . 12 1 1 A 106 106 LYS CA C 106 56.600 56.179 0.421 1
1 1079 . 12 1 1 A 106 106 LYS CB C 106 32.800 34.557 -1.757 1
1 1081 . 12 1 1 A 106 106 LYS N N 106 122.400 115.412 6.988 1
1 1082 . 12 1 1 A 107 107 GLY H H 107 8.310 8.289 0.021 1
1 1083 . 12 1 1 A 107 107 GLY HA2 H 107 3.990 3.945 0.045 1
1 1084 . 12 1 1 A 107 107 GLY HA3 H 107 3.990 3.975 0.015 1
1 1085 . 12 1 1 A 107 107 GLY CA C 107 45.300 45.624 -0.324 1
1 1086 . 12 1 1 A 107 107 GLY N N 107 110.000 109.581 0.419 1
1 1 . 13 1 1 A 11 11 SER HA H 11 4.510 4.488 0.022 1
1 4 . 13 1 1 A 11 11 SER C C 11 174.600 174.863 -0.263 1
1 5 . 13 1 1 A 11 11 SER CA C 11 58.400 59.068 -0.668 1
1 6 . 13 1 1 A 11 11 SER CB C 11 63.800 64.359 -0.559 1
1 7 . 13 1 1 A 12 12 SER H H 12 8.630 8.726 -0.096 1
1 8 . 13 1 1 A 12 12 SER HA H 12 4.500 4.320 0.180 1
1 11 . 13 1 1 A 12 12 SER C C 12 175.000 174.229 0.771 1
1 12 . 13 1 1 A 12 12 SER CA C 12 58.600 59.084 -0.484 1
1 13 . 13 1 1 A 12 12 SER CB C 12 63.900 61.901 1.999 1
1 14 . 13 1 1 A 12 12 SER N N 12 118.300 114.188 4.112 1
1 15 . 13 1 1 A 13 13 GLY H H 13 8.560 9.230 -0.670 1
1 16 . 13 1 1 A 13 13 GLY HA2 H 13 4.050 4.160 -0.110 1
1 17 . 13 1 1 A 13 13 GLY HA3 H 13 4.050 4.167 -0.117 1
1 18 . 13 1 1 A 13 13 GLY C C 13 174.300 175.787 -1.487 1
1 19 . 13 1 1 A 13 13 GLY CA C 13 45.400 46.090 -0.690 1
1 20 . 13 1 1 A 13 13 GLY N N 13 111.000 113.353 -2.353 1
1 21 . 13 1 1 A 14 14 ARG H H 14 8.260 8.023 0.237 1
1 22 . 13 1 1 A 14 14 ARG HA H 14 4.320 4.542 -0.222 1
1 29 . 13 1 1 A 14 14 ARG C C 14 176.400 177.363 -0.963 1
1 30 . 13 1 1 A 14 14 ARG CA C 14 56.300 56.150 0.150 1
1 31 . 13 1 1 A 14 14 ARG CB C 14 30.600 32.071 -1.471 1
1 34 . 13 1 1 A 14 14 ARG N N 14 120.400 117.715 2.685 1
1 35 . 13 1 1 A 15 15 GLU H H 15 8.660 8.281 0.379 1
1 36 . 13 1 1 A 15 15 GLU HA H 15 4.210 4.509 -0.299 1
1 41 . 13 1 1 A 15 15 GLU C C 15 176.200 178.294 -2.094 1
1 42 . 13 1 1 A 15 15 GLU CA C 15 57.200 57.380 -0.180 1
1 43 . 13 1 1 A 15 15 GLU CB C 15 29.700 30.498 -0.798 1
1 45 . 13 1 1 A 15 15 GLU N N 15 121.100 118.701 2.399 1
1 46 . 13 1 1 A 16 16 ASN H H 16 8.420 8.611 -0.191 1
1 47 . 13 1 1 A 16 16 ASN HA H 16 4.680 4.626 0.054 1
1 52 . 13 1 1 A 16 16 ASN C C 16 175.100 176.145 -1.045 1
1 53 . 13 1 1 A 16 16 ASN CA C 16 53.300 54.321 -1.021 1
1 54 . 13 1 1 A 16 16 ASN CB C 16 38.700 37.120 1.580 1
1 55 . 13 1 1 A 16 16 ASN N N 16 118.900 118.829 0.071 1
1 57 . 13 1 1 A 17 17 LEU H H 17 8.110 7.743 0.367 1
1 58 . 13 1 1 A 17 17 LEU HA H 17 4.210 4.159 0.051 1
1 68 . 13 1 1 A 17 17 LEU C C 17 177.000 176.971 0.029 1
1 69 . 13 1 1 A 17 17 LEU CA C 17 55.600 56.866 -1.266 1
1 70 . 13 1 1 A 17 17 LEU CB C 17 42.200 41.939 0.261 1
1 74 . 13 1 1 A 17 17 LEU N N 17 121.900 118.935 2.965 1
1 75 . 13 1 1 A 18 18 TYR H H 18 8.070 7.690 0.380 1
1 76 . 13 1 1 A 18 18 TYR HA H 18 4.530 4.764 -0.234 1
1 83 . 13 1 1 A 18 18 TYR C C 18 175.700 175.979 -0.279 1
1 84 . 13 1 1 A 18 18 TYR CA C 18 58.000 56.904 1.096 1
1 85 . 13 1 1 A 18 18 TYR CB C 18 38.700 37.137 1.563 1
1 90 . 13 1 1 A 18 18 TYR N N 18 119.500 117.183 2.317 1
1 91 . 13 1 1 A 19 19 PHE H H 19 8.120 8.466 -0.346 1
1 92 . 13 1 1 A 19 19 PHE HA H 19 4.560 4.774 -0.214 1
1 99 . 13 1 1 A 19 19 PHE C C 19 175.500 175.078 0.422 1
1 100 . 13 1 1 A 19 19 PHE CA C 19 57.900 57.173 0.727 1
1 101 . 13 1 1 A 19 19 PHE CB C 19 39.500 38.597 0.903 1
1 106 . 13 1 1 A 19 19 PHE N N 19 121.200 120.611 0.589 1
1 107 . 13 1 1 A 20 20 GLN H H 20 8.300 7.803 0.497 1
1 108 . 13 1 1 A 20 20 GLN HA H 20 4.200 3.913 0.287 1
1 115 . 13 1 1 A 20 20 GLN C C 20 176.000 175.263 0.737 1
1 116 . 13 1 1 A 20 20 GLN CA C 20 56.100 56.913 -0.813 1
1 117 . 13 1 1 A 20 20 GLN CB C 20 29.100 25.945 3.155 1
1 119 . 13 1 1 A 20 20 GLN N N 20 121.700 112.601 9.099 1
1 121 . 13 1 1 A 21 21 GLY H H 21 7.970 7.128 0.842 1
1 122 . 13 1 1 A 21 21 GLY HA2 H 21 3.940 2.863 1.077 1
1 123 . 13 1 1 A 21 21 GLY HA3 H 21 3.830 3.483 0.347 1
1 124 . 13 1 1 A 21 21 GLY CA C 21 45.400 46.502 -1.102 1
1 125 . 13 1 1 A 21 21 GLY N N 21 108.500 105.773 2.727 1
1 126 . 13 1 1 A 22 22 HIS H H 22 8.280 7.513 0.767 1
1 127 . 13 1 1 A 22 22 HIS C C 22 174.000 174.894 -0.894 1
1 128 . 13 1 1 A 22 22 HIS CA C 22 56.000 57.104 -1.104 1
1 129 . 13 1 1 A 22 22 HIS CB C 22 29.900 30.683 -0.783 1
1 130 . 13 1 1 A 22 22 HIS N N 22 118.700 119.211 -0.511 1
1 134 . 13 1 1 A 23 23 MET C C 23 175.900 175.083 0.817 1
1 135 . 13 1 1 A 23 23 MET CB C 23 32.700 32.701 -0.001 1
1 137 . 13 1 1 A 24 24 CYS H H 24 8.390 8.494 -0.104 1
1 138 . 13 1 1 A 24 24 CYS HA H 24 4.620 4.928 -0.308 1
1 141 . 13 1 1 A 24 24 CYS C C 24 175.400 174.803 0.597 1
1 142 . 13 1 1 A 24 24 CYS CA C 24 58.000 57.723 0.277 1
1 143 . 13 1 1 A 24 24 CYS CB C 24 27.900 30.938 -3.038 1
1 144 . 13 1 1 A 24 24 CYS N N 24 120.600 124.883 -4.283 1
1 145 . 13 1 1 A 25 25 ILE H H 25 8.550 8.657 -0.107 1
1 146 . 13 1 1 A 25 25 ILE HA H 25 4.010 3.851 0.159 1
1 156 . 13 1 1 A 25 25 ILE C C 25 176.200 176.954 -0.754 1
1 157 . 13 1 1 A 25 25 ILE CA C 25 63.400 64.105 -0.705 1
1 158 . 13 1 1 A 25 25 ILE CB C 25 38.100 37.754 0.346 1
1 162 . 13 1 1 A 25 25 ILE N N 25 124.600 126.421 -1.821 1
1 163 . 13 1 1 A 26 26 GLN H H 26 8.860 7.635 1.225 1
1 164 . 13 1 1 A 26 26 GLN HA H 26 3.340 3.658 -0.318 1
1 171 . 13 1 1 A 26 26 GLN C C 26 176.800 178.267 -1.467 1
1 172 . 13 1 1 A 26 26 GLN CA C 26 60.200 58.839 1.361 1
1 173 . 13 1 1 A 26 26 GLN CB C 26 27.800 27.853 -0.053 1
1 175 . 13 1 1 A 26 26 GLN N N 26 121.900 121.098 0.802 1
1 177 . 13 1 1 A 27 27 LYS H H 27 7.340 7.698 -0.358 1
1 178 . 13 1 1 A 27 27 LYS HA H 27 4.070 4.002 0.068 1
1 181 . 13 1 1 A 27 27 LYS C C 27 177.900 178.531 -0.631 1
1 182 . 13 1 1 A 27 27 LYS CA C 27 58.300 58.960 -0.660 1
1 183 . 13 1 1 A 27 27 LYS CB C 27 31.800 32.248 -0.448 1
1 187 . 13 1 1 A 27 27 LYS N N 27 117.700 120.373 -2.673 1
1 188 . 13 1 1 A 28 28 VAL H H 28 7.570 7.512 0.058 1
1 189 . 13 1 1 A 28 28 VAL HA H 28 3.680 3.611 0.069 1
1 197 . 13 1 1 A 28 28 VAL C C 28 178.600 178.095 0.505 1
1 198 . 13 1 1 A 28 28 VAL CA C 28 66.400 66.269 0.131 1
1 199 . 13 1 1 A 28 28 VAL CB C 28 31.800 31.593 0.207 1
1 202 . 13 1 1 A 28 28 VAL N N 28 119.900 118.898 1.002 1
1 203 . 13 1 1 A 29 29 ILE H H 29 8.180 8.081 0.099 1
1 204 . 13 1 1 A 29 29 ILE HA H 29 3.290 3.329 -0.039 1
1 212 . 13 1 1 A 29 29 ILE C C 29 177.500 177.776 -0.276 1
1 213 . 13 1 1 A 29 29 ILE CA C 29 65.900 65.690 0.210 1
1 214 . 13 1 1 A 29 29 ILE CB C 29 37.600 37.657 -0.057 1
1 218 . 13 1 1 A 29 29 ILE N N 29 118.500 119.813 -1.313 1
1 219 . 13 1 1 A 30 30 GLU H H 30 8.370 8.515 -0.145 1
1 220 . 13 1 1 A 30 30 GLU HA H 30 3.610 3.856 -0.246 1
1 225 . 13 1 1 A 30 30 GLU C C 30 179.000 179.250 -0.250 1
1 226 . 13 1 1 A 30 30 GLU CA C 30 60.400 59.762 0.638 1
1 227 . 13 1 1 A 30 30 GLU CB C 30 29.600 29.001 0.599 1
1 229 . 13 1 1 A 30 30 GLU N N 30 119.200 118.712 0.488 1
1 230 . 13 1 1 A 31 31 ASP H H 31 8.710 8.297 0.413 1
1 231 . 13 1 1 A 31 31 ASP HA H 31 4.370 4.528 -0.158 1
1 234 . 13 1 1 A 31 31 ASP CA C 31 57.600 56.523 1.077 1
1 235 . 13 1 1 A 31 31 ASP CB C 31 40.200 40.413 -0.213 1
1 236 . 13 1 1 A 31 31 ASP N N 31 125.100 120.391 4.709 1
1 237 . 13 1 1 A 32 32 LYS H H 32 8.430 7.595 0.835 1
1 238 . 13 1 1 A 32 32 LYS HA H 32 4.030 4.031 -0.001 1
1 243 . 13 1 1 A 32 32 LYS C C 32 180.300 179.541 0.759 1
1 244 . 13 1 1 A 32 32 LYS CA C 32 60.400 59.140 1.260 1
1 245 . 13 1 1 A 32 32 LYS CB C 32 33.100 32.327 0.773 1
1 248 . 13 1 1 A 32 32 LYS N N 32 120.700 120.981 -0.281 1
1 249 . 13 1 1 A 33 33 LEU H H 33 8.580 7.682 0.898 1
1 250 . 13 1 1 A 33 33 LEU HA H 33 4.000 3.990 0.010 1
1 260 . 13 1 1 A 33 33 LEU C C 33 179.200 178.454 0.746 1
1 261 . 13 1 1 A 33 33 LEU CA C 33 58.000 57.803 0.197 1
1 262 . 13 1 1 A 33 33 LEU CB C 33 42.500 41.066 1.434 1
1 266 . 13 1 1 A 33 33 LEU N N 33 117.200 117.573 -0.373 1
1 267 . 13 1 1 A 34 34 SER H H 34 8.670 8.266 0.404 1
1 268 . 13 1 1 A 34 34 SER HA H 34 4.100 4.188 -0.088 1
1 271 . 13 1 1 A 34 34 SER C C 34 176.900 177.234 -0.334 1
1 272 . 13 1 1 A 34 34 SER CA C 34 62.500 61.598 0.902 1
1 273 . 13 1 1 A 34 34 SER CB C 34 62.500 62.475 0.025 1
1 274 . 13 1 1 A 34 34 SER N N 34 115.500 114.482 1.018 1
1 275 . 13 1 1 A 35 35 SER H H 35 8.080 7.640 0.440 1
1 276 . 13 1 1 A 35 35 SER HA H 35 4.200 4.085 0.115 1
1 279 . 13 1 1 A 35 35 SER C C 35 175.900 175.994 -0.094 1
1 280 . 13 1 1 A 35 35 SER CA C 35 60.900 61.523 -0.623 1
1 281 . 13 1 1 A 35 35 SER CB C 35 62.900 63.062 -0.162 1
1 282 . 13 1 1 A 35 35 SER N N 35 115.300 116.511 -1.211 1
1 283 . 13 1 1 A 36 36 ALA H H 36 7.570 7.410 0.160 1
1 284 . 13 1 1 A 36 36 ALA HA H 36 4.340 4.309 0.031 1
1 288 . 13 1 1 A 36 36 ALA C C 36 179.200 179.792 -0.592 1
1 289 . 13 1 1 A 36 36 ALA CA C 36 54.300 54.411 -0.111 1
1 290 . 13 1 1 A 36 36 ALA CB C 36 20.900 19.367 1.533 1
1 291 . 13 1 1 A 36 36 ALA N N 36 119.000 122.906 -3.906 1
1 292 . 13 1 1 A 37 37 LEU H H 37 7.960 8.200 -0.240 1
1 293 . 13 1 1 A 37 37 LEU HA H 37 4.530 4.234 0.296 1
1 303 . 13 1 1 A 37 37 LEU CA C 37 53.500 55.625 -2.125 1
1 304 . 13 1 1 A 37 37 LEU CB C 37 42.600 42.173 0.427 1
1 308 . 13 1 1 A 37 37 LEU N N 37 111.800 116.769 -4.969 1
1 309 . 13 1 1 A 38 38 LYS H H 38 7.600 7.591 0.009 1
1 310 . 13 1 1 A 38 38 LYS HA H 38 4.250 4.414 -0.164 1
1 313 . 13 1 1 A 38 38 LYS CA C 38 56.200 56.761 -0.561 1
1 314 . 13 1 1 A 38 38 LYS CB C 38 30.800 30.819 -0.019 1
1 315 . 13 1 1 A 38 38 LYS N N 38 117.200 115.276 1.924 1
1 316 . 13 1 1 A 39 39 PRO HA H 39 4.670 4.584 0.086 1
1 323 . 13 1 1 A 39 39 PRO C C 39 178.100 177.586 0.514 1
1 324 . 13 1 1 A 39 39 PRO CA C 39 63.300 62.442 0.858 1
1 325 . 13 1 1 A 39 39 PRO CB C 39 32.700 32.195 0.505 1
1 328 . 13 1 1 A 40 40 THR H H 40 8.500 8.361 0.139 1
1 329 . 13 1 1 A 40 40 THR HA H 40 4.290 4.126 0.164 1
1 334 . 13 1 1 A 40 40 THR C C 40 175.700 174.532 1.168 1
1 335 . 13 1 1 A 40 40 THR CA C 40 63.200 64.569 -1.369 1
1 336 . 13 1 1 A 40 40 THR CB C 40 67.600 69.111 -1.511 1
1 338 . 13 1 1 A 40 40 THR N N 40 114.500 114.570 -0.070 1
1 339 . 13 1 1 A 41 41 PHE H H 41 7.300 7.727 -0.427 1
1 340 . 13 1 1 A 41 41 PHE HA H 41 4.510 4.748 -0.238 1
1 347 . 13 1 1 A 41 41 PHE C C 41 171.500 172.840 -1.340 1
1 348 . 13 1 1 A 41 41 PHE CA C 41 58.800 57.014 1.786 1
1 349 . 13 1 1 A 41 41 PHE CB C 41 41.000 42.480 -1.480 1
1 354 . 13 1 1 A 41 41 PHE N N 41 121.100 120.817 0.283 1
1 355 . 13 1 1 A 42 42 LEU H H 42 7.530 8.287 -0.757 1
1 356 . 13 1 1 A 42 42 LEU HA H 42 4.910 4.829 0.081 1
1 366 . 13 1 1 A 42 42 LEU C C 42 173.700 173.553 0.147 1
1 367 . 13 1 1 A 42 42 LEU CA C 42 53.500 53.621 -0.121 1
1 368 . 13 1 1 A 42 42 LEU CB C 42 45.300 45.682 -0.382 1
1 372 . 13 1 1 A 42 42 LEU N N 42 129.100 128.539 0.561 1
1 373 . 13 1 1 A 43 43 GLU H H 43 8.690 8.919 -0.229 1
1 374 . 13 1 1 A 43 43 GLU HA H 43 4.400 4.865 -0.465 1
1 379 . 13 1 1 A 43 43 GLU C C 43 173.500 174.851 -1.351 1
1 380 . 13 1 1 A 43 43 GLU CA C 43 55.800 54.563 1.237 1
1 381 . 13 1 1 A 43 43 GLU CB C 43 34.100 32.552 1.548 1
1 383 . 13 1 1 A 43 43 GLU N N 43 126.900 128.160 -1.260 1
1 384 . 13 1 1 A 44 44 LEU H H 44 9.000 8.965 0.035 1
1 385 . 13 1 1 A 44 44 LEU HA H 44 5.130 4.924 0.206 1
1 395 . 13 1 1 A 44 44 LEU C C 44 175.100 175.934 -0.834 1
1 396 . 13 1 1 A 44 44 LEU CA C 44 53.700 53.422 0.278 1
1 397 . 13 1 1 A 44 44 LEU CB C 44 44.600 41.383 3.217 1
1 401 . 13 1 1 A 44 44 LEU N N 44 129.900 128.871 1.029 1
1 402 . 13 1 1 A 45 45 VAL H H 45 9.000 9.173 -0.173 1
1 403 . 13 1 1 A 45 45 VAL HA H 45 4.370 4.529 -0.159 1
1 411 . 13 1 1 A 45 45 VAL C C 45 175.100 174.787 0.313 1
1 412 . 13 1 1 A 45 45 VAL CA C 45 61.200 60.857 0.343 1
1 413 . 13 1 1 A 45 45 VAL CB C 45 35.400 34.824 0.576 1
1 416 . 13 1 1 A 45 45 VAL N N 45 122.300 125.237 -2.937 1
1 417 . 13 1 1 A 46 46 ASP H H 46 9.080 8.728 0.352 1
1 418 . 13 1 1 A 46 46 ASP HA H 46 4.530 4.632 -0.102 1
1 421 . 13 1 1 A 46 46 ASP C C 46 176.900 175.693 1.207 1
1 422 . 13 1 1 A 46 46 ASP CA C 46 53.900 54.246 -0.346 1
1 423 . 13 1 1 A 46 46 ASP CB C 46 40.600 40.856 -0.256 1
1 424 . 13 1 1 A 46 46 ASP N N 46 127.400 126.330 1.070 1
1 425 . 13 1 1 A 47 47 LYS H H 47 8.490 7.870 0.620 1
1 426 . 13 1 1 A 47 47 LYS HA H 47 4.560 4.494 0.066 1
1 427 . 13 1 1 A 47 47 LYS CA C 47 54.200 56.910 -2.710 1
1 428 . 13 1 1 A 47 47 LYS CB C 47 30.400 32.775 -2.375 1
1 429 . 13 1 1 A 47 47 LYS N N 47 129.500 125.388 4.112 1
1 430 . 13 1 1 A 54 54 SER HA H 54 5.550 5.686 -0.136 1
1 433 . 13 1 1 A 54 54 SER C C 54 172.900 172.993 -0.093 1
1 434 . 13 1 1 A 54 54 SER CA C 54 57.300 56.031 1.269 1
1 435 . 13 1 1 A 54 54 SER CB C 54 65.800 65.898 -0.098 1
1 436 . 13 1 1 A 55 55 PHE H H 55 8.340 8.986 -0.646 1
1 437 . 13 1 1 A 55 55 PHE HA H 55 5.700 5.095 0.605 1
1 442 . 13 1 1 A 55 55 PHE C C 55 174.400 173.842 0.558 1
1 443 . 13 1 1 A 55 55 PHE CA C 55 56.700 56.314 0.386 1
1 444 . 13 1 1 A 55 55 PHE CB C 55 45.300 41.713 3.587 1
1 447 . 13 1 1 A 55 55 PHE N N 55 119.600 120.897 -1.297 1
1 448 . 13 1 1 A 56 56 ASP H H 56 8.840 9.029 -0.189 1
1 449 . 13 1 1 A 56 56 ASP HA H 56 5.350 5.420 -0.070 1
1 452 . 13 1 1 A 56 56 ASP C C 56 174.400 174.352 0.048 1
1 453 . 13 1 1 A 56 56 ASP CA C 56 52.900 52.363 0.537 1
1 454 . 13 1 1 A 56 56 ASP CB C 56 43.700 42.507 1.193 1
1 455 . 13 1 1 A 56 56 ASP N N 56 121.500 124.291 -2.791 1
1 456 . 13 1 1 A 57 57 ALA H H 57 8.780 8.896 -0.116 1
1 457 . 13 1 1 A 57 57 ALA HA H 57 5.620 5.165 0.455 1
1 461 . 13 1 1 A 57 57 ALA C C 57 176.400 176.001 0.399 1
1 462 . 13 1 1 A 57 57 ALA CA C 57 50.200 50.132 0.068 1
1 463 . 13 1 1 A 57 57 ALA CB C 57 23.600 20.644 2.956 1
1 464 . 13 1 1 A 57 57 ALA N N 57 125.000 129.383 -4.383 1
1 465 . 13 1 1 A 58 58 VAL H H 58 9.080 8.817 0.263 1
1 466 . 13 1 1 A 58 58 VAL HA H 58 4.580 4.383 0.197 1
1 474 . 13 1 1 A 58 58 VAL C C 58 175.000 175.996 -0.996 1
1 475 . 13 1 1 A 58 58 VAL CA C 58 62.800 62.776 0.024 1
1 476 . 13 1 1 A 58 58 VAL CB C 58 34.100 31.874 2.226 1
1 479 . 13 1 1 A 58 58 VAL N N 58 125.100 122.813 2.287 1
1 480 . 13 1 1 A 59 59 ILE H H 59 8.750 8.915 -0.165 1
1 481 . 13 1 1 A 59 59 ILE HA H 59 4.430 4.916 -0.486 1
1 489 . 13 1 1 A 59 59 ILE C C 59 173.900 174.830 -0.930 1
1 490 . 13 1 1 A 59 59 ILE CA C 59 60.900 59.637 1.263 1
1 491 . 13 1 1 A 59 59 ILE CB C 59 41.100 39.246 1.854 1
1 495 . 13 1 1 A 59 59 ILE N N 59 125.000 124.672 0.328 1
1 496 . 13 1 1 A 60 60 VAL H H 60 8.540 8.565 -0.025 1
1 497 . 13 1 1 A 60 60 VAL HA H 60 5.540 5.044 0.496 1
1 505 . 13 1 1 A 60 60 VAL C C 60 175.900 174.481 1.419 1
1 506 . 13 1 1 A 60 60 VAL CA C 60 60.200 61.821 -1.621 1
1 507 . 13 1 1 A 60 60 VAL CB C 60 31.800 33.404 -1.604 1
1 510 . 13 1 1 A 60 60 VAL N N 60 128.600 124.337 4.263 1
1 511 . 13 1 1 A 61 61 SER H H 61 8.720 8.630 0.090 1
1 512 . 13 1 1 A 61 61 SER HA H 61 5.000 5.256 -0.256 1
1 515 . 13 1 1 A 61 61 SER C C 61 175.700 174.232 1.468 1
1 516 . 13 1 1 A 61 61 SER CA C 61 56.500 56.408 0.092 1
1 517 . 13 1 1 A 61 61 SER CB C 61 64.400 65.598 -1.198 1
1 518 . 13 1 1 A 61 61 SER N N 61 115.900 121.853 -5.953 1
1 519 . 13 1 1 A 62 62 ASN H H 62 9.650 9.246 0.404 1
1 520 . 13 1 1 A 62 62 ASN HA H 62 4.670 4.567 0.103 1
1 525 . 13 1 1 A 62 62 ASN CA C 62 56.500 55.610 0.890 1
1 526 . 13 1 1 A 62 62 ASN CB C 62 38.600 38.170 0.430 1
1 528 . 13 1 1 A 62 62 ASN N N 62 129.400 124.833 4.567 1
1 530 . 13 1 1 A 63 63 ASN H H 63 8.920 8.354 0.566 1
1 531 . 13 1 1 A 63 63 ASN HA H 63 4.490 4.589 -0.099 1
1 536 . 13 1 1 A 63 63 ASN C C 63 175.200 176.860 -1.660 1
1 537 . 13 1 1 A 63 63 ASN CA C 63 55.700 54.969 0.731 1
1 538 . 13 1 1 A 63 63 ASN CB C 63 37.600 38.185 -0.585 1
1 539 . 13 1 1 A 63 63 ASN N N 63 119.500 118.448 1.052 1
1 541 . 13 1 1 A 64 64 PHE H H 64 6.950 7.778 -0.828 1
1 542 . 13 1 1 A 64 64 PHE HA H 64 4.690 4.684 0.006 1
1 545 . 13 1 1 A 64 64 PHE C C 64 174.200 177.039 -2.839 1
1 546 . 13 1 1 A 64 64 PHE CA C 64 54.900 59.720 -4.820 1
1 547 . 13 1 1 A 64 64 PHE CB C 64 37.500 40.525 -3.025 1
1 548 . 13 1 1 A 64 64 PHE N N 64 113.700 120.344 -6.644 1
1 549 . 13 1 1 A 65 65 GLU H H 65 7.470 8.535 -1.065 1
1 550 . 13 1 1 A 65 65 GLU HA H 65 4.010 4.047 -0.037 1
1 555 . 13 1 1 A 65 65 GLU C C 65 174.800 176.413 -1.613 1
1 556 . 13 1 1 A 65 65 GLU CA C 65 58.400 57.976 0.424 1
1 557 . 13 1 1 A 65 65 GLU CB C 65 29.700 27.905 1.795 1
1 559 . 13 1 1 A 65 65 GLU N N 65 120.500 117.220 3.280 1
1 560 . 13 1 1 A 66 66 ASP H H 66 9.010 7.720 1.290 1
1 561 . 13 1 1 A 66 66 ASP HA H 66 4.390 4.731 -0.341 1
1 564 . 13 1 1 A 66 66 ASP C C 66 175.000 175.668 -0.668 1
1 565 . 13 1 1 A 66 66 ASP CA C 66 55.800 53.418 2.382 1
1 566 . 13 1 1 A 66 66 ASP CB C 66 39.800 40.726 -0.926 1
1 567 . 13 1 1 A 66 66 ASP N N 66 119.200 120.565 -1.365 1
1 568 . 13 1 1 A 67 67 LYS H H 67 7.800 7.632 0.168 1
1 569 . 13 1 1 A 67 67 LYS C C 67 177.400 175.135 2.265 1
1 570 . 13 1 1 A 67 67 LYS CA C 67 54.700 57.081 -2.381 1
1 571 . 13 1 1 A 67 67 LYS CB C 67 38.400 30.940 7.460 1
1 575 . 13 1 1 A 67 67 LYS N N 67 117.200 119.097 -1.897 1
1 576 . 13 1 1 A 68 68 LYS H H 68 9.340 8.097 1.243 1
1 577 . 13 1 1 A 68 68 LYS HA H 68 4.400 4.413 -0.013 1
1 586 . 13 1 1 A 68 68 LYS C C 68 177.500 176.550 0.950 1
1 587 . 13 1 1 A 68 68 LYS CA C 68 55.900 55.235 0.665 1
1 588 . 13 1 1 A 68 68 LYS CB C 68 32.700 31.297 1.403 1
1 592 . 13 1 1 A 68 68 LYS N N 68 125.800 119.382 6.418 1
1 593 . 13 1 1 A 69 69 LEU H H 69 8.710 8.647 0.063 1
1 594 . 13 1 1 A 69 69 LEU HA H 69 3.630 4.145 -0.515 1
1 603 . 13 1 1 A 69 69 LEU C C 69 178.400 178.449 -0.049 1
1 604 . 13 1 1 A 69 69 LEU CA C 69 60.300 58.280 2.020 1
1 605 . 13 1 1 A 69 69 LEU CB C 69 41.600 42.041 -0.441 1
1 608 . 13 1 1 A 69 69 LEU N N 69 124.300 126.864 -2.564 1
1 609 . 13 1 1 A 70 70 LEU H H 70 8.700 7.981 0.719 1
1 610 . 13 1 1 A 70 70 LEU HA H 70 3.930 3.977 -0.047 1
1 620 . 13 1 1 A 70 70 LEU C C 70 179.400 178.866 0.534 1
1 621 . 13 1 1 A 70 70 LEU CA C 70 58.200 58.152 0.048 1
1 622 . 13 1 1 A 70 70 LEU CB C 70 41.700 41.271 0.429 1
1 626 . 13 1 1 A 70 70 LEU N N 70 116.100 117.226 -1.126 1
1 627 . 13 1 1 A 71 71 ASP H H 71 7.130 8.096 -0.966 1
1 628 . 13 1 1 A 71 71 ASP HA H 71 4.660 4.387 0.273 1
1 631 . 13 1 1 A 71 71 ASP C C 71 179.000 179.016 -0.016 1
1 632 . 13 1 1 A 71 71 ASP CA C 71 57.100 56.996 0.104 1
1 633 . 13 1 1 A 71 71 ASP CB C 71 40.800 40.596 0.204 1
1 634 . 13 1 1 A 71 71 ASP N N 71 117.600 120.046 -2.446 1
1 635 . 13 1 1 A 72 72 ARG H H 72 8.190 8.355 -0.165 1
1 636 . 13 1 1 A 72 72 ARG HA H 72 3.930 4.138 -0.208 1
1 637 . 13 1 1 A 72 72 ARG C C 72 177.000 178.508 -1.508 1
1 638 . 13 1 1 A 72 72 ARG CA C 72 60.100 58.910 1.190 1
1 639 . 13 1 1 A 72 72 ARG CB C 72 29.300 30.013 -0.713 1
1 642 . 13 1 1 A 72 72 ARG N N 72 122.200 118.407 3.793 1
1 643 . 13 1 1 A 73 73 HIS H H 73 8.030 8.138 -0.108 1
1 644 . 13 1 1 A 73 73 HIS HA H 73 4.100 4.279 -0.179 1
1 648 . 13 1 1 A 73 73 HIS C C 73 177.300 176.985 0.315 1
1 649 . 13 1 1 A 73 73 HIS CA C 73 58.100 59.728 -1.628 1
1 650 . 13 1 1 A 73 73 HIS CB C 73 30.200 29.878 0.322 1
1 652 . 13 1 1 A 73 73 HIS N N 73 116.800 120.437 -3.637 1
1 653 . 13 1 1 A 74 74 ARG H H 74 8.290 8.392 -0.102 1
1 654 . 13 1 1 A 74 74 ARG HA H 74 4.080 4.041 0.039 1
1 661 . 13 1 1 A 74 74 ARG C C 74 178.700 178.871 -0.171 1
1 662 . 13 1 1 A 74 74 ARG CA C 74 59.700 58.915 0.785 1
1 663 . 13 1 1 A 74 74 ARG CB C 74 30.400 30.174 0.226 1
1 666 . 13 1 1 A 74 74 ARG N N 74 118.200 118.465 -0.265 1
1 667 . 13 1 1 A 75 75 LEU H H 75 7.740 8.164 -0.424 1
1 668 . 13 1 1 A 75 75 LEU HA H 75 4.270 4.029 0.241 1
1 678 . 13 1 1 A 75 75 LEU CA C 75 58.300 58.100 0.200 1
1 679 . 13 1 1 A 75 75 LEU CB C 75 42.000 41.935 0.065 1
1 683 . 13 1 1 A 75 75 LEU N N 75 121.200 121.221 -0.021 1
1 684 . 13 1 1 A 76 76 VAL H H 76 7.590 7.962 -0.372 1
1 685 . 13 1 1 A 76 76 VAL HA H 76 3.360 3.410 -0.050 1
1 693 . 13 1 1 A 76 76 VAL C C 76 176.800 177.433 -0.633 1
1 694 . 13 1 1 A 76 76 VAL CA C 76 67.500 66.977 0.523 1
1 695 . 13 1 1 A 76 76 VAL CB C 76 31.500 30.993 0.507 1
1 698 . 13 1 1 A 76 76 VAL N N 76 119.300 117.630 1.670 1
1 699 . 13 1 1 A 77 77 ASN H H 77 8.690 8.115 0.575 1
1 700 . 13 1 1 A 77 77 ASN HA H 77 4.190 4.424 -0.234 1
1 705 . 13 1 1 A 77 77 ASN C C 77 178.000 178.326 -0.326 1
1 706 . 13 1 1 A 77 77 ASN CA C 77 55.400 56.314 -0.914 1
1 707 . 13 1 1 A 77 77 ASN CB C 77 37.600 38.416 -0.816 1
1 708 . 13 1 1 A 77 77 ASN N N 77 117.100 119.097 -1.997 1
1 710 . 13 1 1 A 78 78 THR H H 78 8.050 8.017 0.033 1
1 711 . 13 1 1 A 78 78 THR HA H 78 3.970 3.930 0.040 1
1 716 . 13 1 1 A 78 78 THR C C 78 176.900 176.601 0.299 1
1 717 . 13 1 1 A 78 78 THR CA C 78 66.700 67.338 -0.638 1
1 718 . 13 1 1 A 78 78 THR CB C 78 68.800 68.877 -0.077 1
1 720 . 13 1 1 A 78 78 THR N N 78 116.300 116.166 0.134 1
1 721 . 13 1 1 A 79 79 ILE H H 79 8.020 7.977 0.043 1
1 722 . 13 1 1 A 79 79 ILE HA H 79 3.670 3.719 -0.049 1
1 730 . 13 1 1 A 79 79 ILE CA C 79 65.000 64.177 0.823 1
1 731 . 13 1 1 A 79 79 ILE CB C 79 38.500 37.914 0.586 1
1 734 . 13 1 1 A 79 79 ILE N N 79 124.800 120.857 3.943 1
1 735 . 13 1 1 A 80 80 LEU H H 80 7.770 8.155 -0.385 1
1 745 . 13 1 1 A 80 80 LEU C C 80 176.000 178.710 -2.710 1
1 746 . 13 1 1 A 80 80 LEU CA C 80 52.900 55.665 -2.765 1
1 747 . 13 1 1 A 80 80 LEU CB C 80 41.100 41.440 -0.340 1
1 751 . 13 1 1 A 80 80 LEU N N 80 115.200 119.146 -3.946 1
1 752 . 13 1 1 A 81 81 LYS H H 81 6.880 7.756 -0.876 1
1 753 . 13 1 1 A 81 81 LYS HA H 81 3.820 3.863 -0.043 1
1 762 . 13 1 1 A 81 81 LYS C C 81 178.400 179.148 -0.748 1
1 763 . 13 1 1 A 81 81 LYS CA C 81 60.700 59.731 0.969 1
1 764 . 13 1 1 A 81 81 LYS CB C 81 32.800 32.471 0.329 1
1 768 . 13 1 1 A 81 81 LYS N N 81 120.300 121.209 -0.909 1
1 769 . 13 1 1 A 82 82 GLU H H 82 8.620 8.378 0.242 1
1 770 . 13 1 1 A 82 82 GLU HA H 82 4.020 4.039 -0.019 1
1 773 . 13 1 1 A 82 82 GLU C C 82 178.500 179.014 -0.514 1
1 774 . 13 1 1 A 82 82 GLU CA C 82 59.000 59.122 -0.122 1
1 775 . 13 1 1 A 82 82 GLU CB C 82 28.700 29.106 -0.406 1
1 777 . 13 1 1 A 82 82 GLU N N 82 116.700 117.369 -0.669 1
1 778 . 13 1 1 A 83 83 GLU H H 83 8.070 7.778 0.292 1
1 779 . 13 1 1 A 83 83 GLU HA H 83 3.980 3.941 0.039 1
1 784 . 13 1 1 A 83 83 GLU C C 83 179.300 179.247 0.053 1
1 785 . 13 1 1 A 83 83 GLU CA C 83 60.900 59.068 1.832 1
1 786 . 13 1 1 A 83 83 GLU CB C 83 28.900 29.420 -0.520 1
1 788 . 13 1 1 A 83 83 GLU N N 83 120.300 119.918 0.382 1
1 789 . 13 1 1 A 84 84 LEU H H 84 8.480 8.667 -0.187 1
1 790 . 13 1 1 A 84 84 LEU HA H 84 3.910 3.931 -0.021 1
1 800 . 13 1 1 A 84 84 LEU C C 84 178.200 178.948 -0.748 1
1 801 . 13 1 1 A 84 84 LEU CA C 84 57.000 57.946 -0.946 1
1 802 . 13 1 1 A 84 84 LEU CB C 84 40.800 41.034 -0.234 1
1 806 . 13 1 1 A 84 84 LEU N N 84 116.700 120.057 -3.357 1
1 807 . 13 1 1 A 85 85 GLN H H 85 7.130 7.558 -0.428 1
1 808 . 13 1 1 A 85 85 GLN HA H 85 4.140 4.107 0.033 1
1 815 . 13 1 1 A 85 85 GLN C C 85 176.300 176.870 -0.570 1
1 816 . 13 1 1 A 85 85 GLN CA C 85 57.900 58.218 -0.318 1
1 817 . 13 1 1 A 85 85 GLN CB C 85 28.900 28.659 0.241 1
1 819 . 13 1 1 A 85 85 GLN N N 85 115.400 116.673 -1.273 1
1 821 . 13 1 1 A 86 86 ASN H H 86 7.630 7.886 -0.256 1
1 822 . 13 1 1 A 86 86 ASN HA H 86 5.020 4.800 0.220 1
1 827 . 13 1 1 A 86 86 ASN C C 86 174.100 173.923 0.177 1
1 828 . 13 1 1 A 86 86 ASN CA C 86 52.800 53.075 -0.275 1
1 829 . 13 1 1 A 86 86 ASN CB C 86 40.400 39.294 1.106 1
1 830 . 13 1 1 A 86 86 ASN N N 86 114.000 115.839 -1.839 1
1 832 . 13 1 1 A 87 87 ILE H H 87 7.300 7.759 -0.459 1
1 833 . 13 1 1 A 87 87 ILE HA H 87 4.320 4.737 -0.417 1
1 843 . 13 1 1 A 87 87 ILE C C 87 174.500 176.077 -1.577 1
1 844 . 13 1 1 A 87 87 ILE CA C 87 60.400 59.925 0.475 1
1 845 . 13 1 1 A 87 87 ILE CB C 87 40.600 40.899 -0.299 1
1 849 . 13 1 1 A 87 87 ILE N N 87 119.300 119.764 -0.464 1
1 850 . 13 1 1 A 88 88 HIS H H 88 9.140 8.816 0.324 1
1 851 . 13 1 1 A 88 88 HIS HA H 88 4.680 4.421 0.259 1
1 855 . 13 1 1 A 88 88 HIS CA C 88 57.300 58.839 -1.539 1
1 856 . 13 1 1 A 88 88 HIS CB C 88 30.200 31.090 -0.890 1
1 858 . 13 1 1 A 88 88 HIS N N 88 125.000 125.392 -0.392 1
1 859 . 13 1 1 A 89 89 ALA H H 89 7.600 7.776 -0.176 1
1 860 . 13 1 1 A 89 89 ALA HA H 89 4.620 4.453 0.167 1
1 864 . 13 1 1 A 89 89 ALA C C 89 174.300 175.569 -1.269 1
1 865 . 13 1 1 A 89 89 ALA CA C 89 52.300 51.771 0.529 1
1 866 . 13 1 1 A 89 89 ALA CB C 89 21.300 20.533 0.767 1
1 867 . 13 1 1 A 89 89 ALA N N 89 120.100 118.530 1.570 1
1 868 . 13 1 1 A 90 90 PHE H H 90 8.830 9.306 -0.476 1
1 869 . 13 1 1 A 90 90 PHE HA H 90 5.220 5.326 -0.106 1
1 877 . 13 1 1 A 90 90 PHE C C 90 173.700 174.116 -0.416 1
1 878 . 13 1 1 A 90 90 PHE CA C 90 57.200 57.150 0.050 1
1 879 . 13 1 1 A 90 90 PHE CB C 90 42.000 42.465 -0.465 1
1 885 . 13 1 1 A 90 90 PHE N N 90 126.100 127.151 -1.051 1
1 886 . 13 1 1 A 91 91 SER H H 91 8.320 8.317 0.003 1
1 887 . 13 1 1 A 91 91 SER HA H 91 4.730 4.981 -0.251 1
1 891 . 13 1 1 A 91 91 SER C C 91 172.600 172.901 -0.301 1
1 892 . 13 1 1 A 91 91 SER CA C 91 56.500 57.137 -0.637 1
1 893 . 13 1 1 A 91 91 SER CB C 91 64.100 66.004 -1.904 1
1 894 . 13 1 1 A 91 91 SER N N 91 123.100 122.938 0.162 1
1 895 . 13 1 1 A 92 92 MET H H 92 8.660 9.280 -0.620 1
1 896 . 13 1 1 A 92 92 MET HA H 92 5.490 5.422 0.068 1
1 901 . 13 1 1 A 92 92 MET C C 92 174.300 174.933 -0.633 1
1 902 . 13 1 1 A 92 92 MET CA C 92 53.600 53.176 0.424 1
1 903 . 13 1 1 A 92 92 MET CB C 92 37.500 35.559 1.941 1
1 906 . 13 1 1 A 92 92 MET N N 92 119.600 121.318 -1.718 1
1 907 . 13 1 1 A 93 93 LYS H H 93 8.190 9.066 -0.876 1
1 908 . 13 1 1 A 93 93 LYS HA H 93 4.450 4.817 -0.367 1
1 917 . 13 1 1 A 93 93 LYS C C 93 174.400 175.297 -0.897 1
1 918 . 13 1 1 A 93 93 LYS CA C 93 55.400 54.389 1.011 1
1 919 . 13 1 1 A 93 93 LYS CB C 93 34.700 34.738 -0.038 1
1 923 . 13 1 1 A 93 93 LYS N N 93 122.700 120.125 2.575 1
1 924 . 13 1 1 A 94 94 CYS H H 94 8.340 8.452 -0.112 1
1 925 . 13 1 1 A 94 94 CYS HA H 94 4.960 4.708 0.252 1
1 928 . 13 1 1 A 94 94 CYS C C 94 173.600 174.219 -0.619 1
1 929 . 13 1 1 A 94 94 CYS CA C 94 56.600 57.267 -0.667 1
1 930 . 13 1 1 A 94 94 CYS CB C 94 29.800 27.819 1.981 1
1 931 . 13 1 1 A 94 94 CYS N N 94 120.300 124.046 -3.746 1
1 932 . 13 1 1 A 95 95 HIS H H 95 9.040 8.564 0.476 1
1 933 . 13 1 1 A 95 95 HIS HA H 95 5.440 5.215 0.225 1
1 936 . 13 1 1 A 95 95 HIS C C 95 175.700 174.819 0.881 1
1 937 . 13 1 1 A 95 95 HIS CA C 95 53.600 54.582 -0.982 1
1 938 . 13 1 1 A 95 95 HIS CB C 95 35.300 34.112 1.188 1
1 939 . 13 1 1 A 95 95 HIS N N 95 122.000 120.693 1.307 1
1 940 . 13 1 1 A 96 96 THR H H 96 8.910 8.699 0.211 1
1 941 . 13 1 1 A 96 96 THR HA H 96 5.150 4.995 0.155 1
1 945 . 13 1 1 A 96 96 THR CA C 96 60.100 59.087 1.013 1
1 946 . 13 1 1 A 96 96 THR CB C 96 67.600 70.517 -2.917 1
1 948 . 13 1 1 A 96 96 THR N N 96 113.600 112.617 0.983 1
1 949 . 13 1 1 A 97 97 PRO HA H 97 4.060 4.425 -0.365 1
1 956 . 13 1 1 A 97 97 PRO C C 97 178.600 178.786 -0.186 1
1 957 . 13 1 1 A 97 97 PRO CA C 97 66.600 65.794 0.806 1
1 958 . 13 1 1 A 97 97 PRO CB C 97 31.600 31.593 0.007 1
1 961 . 13 1 1 A 98 98 LEU H H 98 8.410 7.588 0.822 1
1 962 . 13 1 1 A 98 98 LEU HA H 98 4.230 4.070 0.160 1
1 971 . 13 1 1 A 98 98 LEU C C 98 179.800 178.653 1.147 1
1 972 . 13 1 1 A 98 98 LEU CA C 98 58.200 57.759 0.441 1
1 973 . 13 1 1 A 98 98 LEU CB C 98 42.000 41.490 0.510 1
1 976 . 13 1 1 A 98 98 LEU N N 98 118.300 117.671 0.629 1
1 977 . 13 1 1 A 99 99 GLU H H 99 7.660 8.459 -0.799 1
1 978 . 13 1 1 A 99 99 GLU HA H 99 3.900 4.030 -0.130 1
1 983 . 13 1 1 A 99 99 GLU C C 99 180.200 178.978 1.222 1
1 984 . 13 1 1 A 99 99 GLU CA C 99 58.400 59.974 -1.574 1
1 985 . 13 1 1 A 99 99 GLU CB C 99 30.400 29.539 0.861 1
1 987 . 13 1 1 A 99 99 GLU N N 99 118.100 117.948 0.152 1
1 988 . 13 1 1 A 100 100 TYR H H 100 8.770 8.387 0.383 1
1 989 . 13 1 1 A 100 100 TYR HA H 100 3.860 4.081 -0.221 1
1 996 . 13 1 1 A 100 100 TYR C C 100 176.800 177.530 -0.730 1
1 997 . 13 1 1 A 100 100 TYR CA C 100 60.800 60.728 0.072 1
1 998 . 13 1 1 A 100 100 TYR CB C 100 39.200 38.384 0.816 1
1 1003 . 13 1 1 A 100 100 TYR N N 100 120.100 121.878 -1.778 1
1 1004 . 13 1 1 A 101 101 ASP H H 101 8.100 8.158 -0.058 1
1 1005 . 13 1 1 A 101 101 ASP HA H 101 4.180 4.147 0.033 1
1 1008 . 13 1 1 A 101 101 ASP C C 101 178.700 178.131 0.569 1
1 1009 . 13 1 1 A 101 101 ASP CA C 101 57.300 57.438 -0.138 1
1 1010 . 13 1 1 A 101 101 ASP CB C 101 40.800 41.356 -0.556 1
1 1011 . 13 1 1 A 101 101 ASP N N 101 118.400 119.241 -0.841 1
1 1012 . 13 1 1 A 102 102 LYS H H 102 7.480 7.622 -0.142 1
1 1013 . 13 1 1 A 102 102 LYS HA H 102 4.070 4.127 -0.057 1
1 1020 . 13 1 1 A 102 102 LYS CA C 102 58.300 57.944 0.356 1
1 1021 . 13 1 1 A 102 102 LYS CB C 102 32.300 32.317 -0.017 1
1 1024 . 13 1 1 A 102 102 LYS N N 102 117.500 118.524 -1.024 1
1 1025 . 13 1 1 A 103 103 LEU H H 103 7.580 7.749 -0.169 1
1 1026 . 13 1 1 A 103 103 LEU HA H 103 4.050 4.021 0.029 1
1 1036 . 13 1 1 A 103 103 LEU C C 103 178.700 179.352 -0.652 1
1 1037 . 13 1 1 A 103 103 LEU CA C 103 56.800 57.702 -0.902 1
1 1038 . 13 1 1 A 103 103 LEU CB C 103 42.000 41.591 0.409 1
1 1042 . 13 1 1 A 103 103 LEU N N 103 120.100 118.890 1.210 1
1 1043 . 13 1 1 A 104 104 LYS H H 104 7.730 7.874 -0.144 1
1 1044 . 13 1 1 A 104 104 LYS HA H 104 3.960 4.183 -0.223 1
1 1053 . 13 1 1 A 104 104 LYS CA C 104 56.700 58.456 -1.756 1
1 1054 . 13 1 1 A 104 104 LYS CB C 104 31.700 31.035 0.665 1
1 1058 . 13 1 1 A 104 104 LYS N N 104 118.500 118.447 0.053 1
1 1059 . 13 1 1 A 105 105 SER H H 105 7.790 7.777 0.013 1
1 1060 . 13 1 1 A 105 105 SER HA H 105 4.330 4.317 0.013 1
1 1063 . 13 1 1 A 105 105 SER C C 105 174.700 174.037 0.663 1
1 1064 . 13 1 1 A 105 105 SER CA C 105 58.900 60.390 -1.490 1
1 1065 . 13 1 1 A 105 105 SER CB C 105 63.500 63.057 0.443 1
1 1066 . 13 1 1 A 105 105 SER N N 105 114.900 115.088 -0.188 1
1 1067 . 13 1 1 A 106 106 LYS H H 106 8.000 7.398 0.602 1
1 1068 . 13 1 1 A 106 106 LYS HA H 106 4.300 4.540 -0.240 1
1 1077 . 13 1 1 A 106 106 LYS C C 106 177.000 176.259 0.741 1
1 1078 . 13 1 1 A 106 106 LYS CA C 106 56.600 55.275 1.325 1
1 1079 . 13 1 1 A 106 106 LYS CB C 106 32.800 33.088 -0.288 1
1 1081 . 13 1 1 A 106 106 LYS N N 106 122.400 115.701 6.699 1
1 1082 . 13 1 1 A 107 107 GLY H H 107 8.310 8.609 -0.299 1
1 1083 . 13 1 1 A 107 107 GLY HA2 H 107 3.990 3.718 0.272 1
1 1084 . 13 1 1 A 107 107 GLY HA3 H 107 3.990 3.887 0.103 1
1 1085 . 13 1 1 A 107 107 GLY CA C 107 45.300 46.520 -1.220 1
1 1086 . 13 1 1 A 107 107 GLY N N 107 110.000 107.591 2.409 1
1 1 . 14 1 1 A 11 11 SER HA H 11 4.510 3.834 0.676 1
1 4 . 14 1 1 A 11 11 SER C C 11 174.600 174.673 -0.073 1
1 5 . 14 1 1 A 11 11 SER CA C 11 58.400 60.930 -2.530 1
1 6 . 14 1 1 A 11 11 SER CB C 11 63.800 60.899 2.901 1
1 7 . 14 1 1 A 12 12 SER H H 12 8.630 8.304 0.326 1
1 8 . 14 1 1 A 12 12 SER HA H 12 4.500 4.748 -0.248 1
1 11 . 14 1 1 A 12 12 SER C C 12 175.000 174.921 0.079 1
1 12 . 14 1 1 A 12 12 SER CA C 12 58.600 58.290 0.310 1
1 13 . 14 1 1 A 12 12 SER CB C 12 63.900 63.444 0.456 1
1 14 . 14 1 1 A 12 12 SER N N 12 118.300 114.997 3.303 1
1 15 . 14 1 1 A 13 13 GLY H H 13 8.560 8.101 0.459 1
1 16 . 14 1 1 A 13 13 GLY HA2 H 13 4.050 3.889 0.161 1
1 17 . 14 1 1 A 13 13 GLY HA3 H 13 4.050 3.892 0.158 1
1 18 . 14 1 1 A 13 13 GLY C C 13 174.300 175.063 -0.763 1
1 19 . 14 1 1 A 13 13 GLY CA C 13 45.400 46.438 -1.038 1
1 20 . 14 1 1 A 13 13 GLY N N 13 111.000 109.750 1.250 1
1 21 . 14 1 1 A 14 14 ARG H H 14 8.260 7.951 0.309 1
1 22 . 14 1 1 A 14 14 ARG HA H 14 4.320 4.549 -0.229 1
1 29 . 14 1 1 A 14 14 ARG C C 14 176.400 177.599 -1.199 1
1 30 . 14 1 1 A 14 14 ARG CA C 14 56.300 57.130 -0.830 1
1 31 . 14 1 1 A 14 14 ARG CB C 14 30.600 32.122 -1.522 1
1 34 . 14 1 1 A 14 14 ARG N N 14 120.400 119.005 1.395 1
1 35 . 14 1 1 A 15 15 GLU H H 15 8.660 7.747 0.913 1
1 36 . 14 1 1 A 15 15 GLU HA H 15 4.210 4.417 -0.207 1
1 41 . 14 1 1 A 15 15 GLU C C 15 176.200 177.994 -1.794 1
1 42 . 14 1 1 A 15 15 GLU CA C 15 57.200 56.948 0.252 1
1 43 . 14 1 1 A 15 15 GLU CB C 15 29.700 29.923 -0.223 1
1 45 . 14 1 1 A 15 15 GLU N N 15 121.100 118.357 2.743 1
1 46 . 14 1 1 A 16 16 ASN H H 16 8.420 8.603 -0.183 1
1 47 . 14 1 1 A 16 16 ASN HA H 16 4.680 4.552 0.128 1
1 52 . 14 1 1 A 16 16 ASN C C 16 175.100 175.973 -0.873 1
1 53 . 14 1 1 A 16 16 ASN CA C 16 53.300 54.152 -0.852 1
1 54 . 14 1 1 A 16 16 ASN CB C 16 38.700 36.949 1.751 1
1 55 . 14 1 1 A 16 16 ASN N N 16 118.900 118.792 0.108 1
1 57 . 14 1 1 A 17 17 LEU H H 17 8.110 7.799 0.311 1
1 58 . 14 1 1 A 17 17 LEU HA H 17 4.210 4.239 -0.029 1
1 68 . 14 1 1 A 17 17 LEU C C 17 177.000 176.230 0.770 1
1 69 . 14 1 1 A 17 17 LEU CA C 17 55.600 55.688 -0.088 1
1 70 . 14 1 1 A 17 17 LEU CB C 17 42.200 42.539 -0.339 1
1 74 . 14 1 1 A 17 17 LEU N N 17 121.900 118.244 3.656 1
1 75 . 14 1 1 A 18 18 TYR H H 18 8.070 7.885 0.185 1
1 76 . 14 1 1 A 18 18 TYR HA H 18 4.530 5.223 -0.693 1
1 83 . 14 1 1 A 18 18 TYR C C 18 175.700 175.921 -0.221 1
1 84 . 14 1 1 A 18 18 TYR CA C 18 58.000 56.309 1.691 1
1 85 . 14 1 1 A 18 18 TYR CB C 18 38.700 42.260 -3.560 1
1 90 . 14 1 1 A 18 18 TYR N N 18 119.500 117.381 2.119 1
1 91 . 14 1 1 A 19 19 PHE H H 19 8.120 8.509 -0.389 1
1 92 . 14 1 1 A 19 19 PHE HA H 19 4.560 4.940 -0.380 1
1 99 . 14 1 1 A 19 19 PHE C C 19 175.500 176.613 -1.113 1
1 100 . 14 1 1 A 19 19 PHE CA C 19 57.900 57.399 0.501 1
1 101 . 14 1 1 A 19 19 PHE CB C 19 39.500 39.038 0.462 1
1 106 . 14 1 1 A 19 19 PHE N N 19 121.200 119.737 1.463 1
1 107 . 14 1 1 A 20 20 GLN H H 20 8.300 7.767 0.533 1
1 108 . 14 1 1 A 20 20 GLN HA H 20 4.200 3.801 0.399 1
1 115 . 14 1 1 A 20 20 GLN C C 20 176.000 176.022 -0.022 1
1 116 . 14 1 1 A 20 20 GLN CA C 20 56.100 58.394 -2.294 1
1 117 . 14 1 1 A 20 20 GLN CB C 20 29.100 26.565 2.535 1
1 119 . 14 1 1 A 20 20 GLN N N 20 121.700 112.839 8.861 1
1 121 . 14 1 1 A 21 21 GLY H H 21 7.970 8.500 -0.530 1
1 122 . 14 1 1 A 21 21 GLY HA2 H 21 3.940 3.884 0.056 1
1 123 . 14 1 1 A 21 21 GLY HA3 H 21 3.830 3.998 -0.168 1
1 124 . 14 1 1 A 21 21 GLY CA C 21 45.400 47.002 -1.602 1
1 125 . 14 1 1 A 21 21 GLY N N 21 108.500 106.920 1.580 1
1 126 . 14 1 1 A 22 22 HIS H H 22 8.280 8.244 0.036 1
1 127 . 14 1 1 A 22 22 HIS C C 22 174.000 173.517 0.483 1
1 128 . 14 1 1 A 22 22 HIS CA C 22 56.000 56.221 -0.221 1
1 129 . 14 1 1 A 22 22 HIS CB C 22 29.900 32.044 -2.144 1
1 130 . 14 1 1 A 22 22 HIS N N 22 118.700 119.465 -0.765 1
1 134 . 14 1 1 A 23 23 MET C C 23 175.900 175.284 0.616 1
1 135 . 14 1 1 A 23 23 MET CB C 23 32.700 31.072 1.628 1
1 137 . 14 1 1 A 24 24 CYS H H 24 8.390 8.350 0.040 1
1 138 . 14 1 1 A 24 24 CYS HA H 24 4.620 4.533 0.087 1
1 141 . 14 1 1 A 24 24 CYS C C 24 175.400 175.182 0.218 1
1 142 . 14 1 1 A 24 24 CYS CA C 24 58.000 57.477 0.523 1
1 143 . 14 1 1 A 24 24 CYS CB C 24 27.900 27.913 -0.013 1
1 144 . 14 1 1 A 24 24 CYS N N 24 120.600 123.586 -2.986 1
1 145 . 14 1 1 A 25 25 ILE H H 25 8.550 8.618 -0.068 1
1 146 . 14 1 1 A 25 25 ILE HA H 25 4.010 3.837 0.173 1
1 156 . 14 1 1 A 25 25 ILE C C 25 176.200 176.787 -0.587 1
1 157 . 14 1 1 A 25 25 ILE CA C 25 63.400 63.891 -0.491 1
1 158 . 14 1 1 A 25 25 ILE CB C 25 38.100 37.617 0.483 1
1 162 . 14 1 1 A 25 25 ILE N N 25 124.600 128.450 -3.850 1
1 163 . 14 1 1 A 26 26 GLN H H 26 8.860 7.946 0.914 1
1 164 . 14 1 1 A 26 26 GLN HA H 26 3.340 3.828 -0.488 1
1 171 . 14 1 1 A 26 26 GLN C C 26 176.800 178.432 -1.632 1
1 172 . 14 1 1 A 26 26 GLN CA C 26 60.200 59.130 1.070 1
1 173 . 14 1 1 A 26 26 GLN CB C 26 27.800 28.579 -0.779 1
1 175 . 14 1 1 A 26 26 GLN N N 26 121.900 120.997 0.903 1
1 177 . 14 1 1 A 27 27 LYS H H 27 7.340 7.578 -0.238 1
1 178 . 14 1 1 A 27 27 LYS HA H 27 4.070 4.281 -0.211 1
1 181 . 14 1 1 A 27 27 LYS C C 27 177.900 178.452 -0.552 1
1 182 . 14 1 1 A 27 27 LYS CA C 27 58.300 58.648 -0.348 1
1 183 . 14 1 1 A 27 27 LYS CB C 27 31.800 32.451 -0.651 1
1 187 . 14 1 1 A 27 27 LYS N N 27 117.700 120.035 -2.335 1
1 188 . 14 1 1 A 28 28 VAL H H 28 7.570 7.609 -0.039 1
1 189 . 14 1 1 A 28 28 VAL HA H 28 3.680 3.571 0.109 1
1 197 . 14 1 1 A 28 28 VAL C C 28 178.600 177.755 0.845 1
1 198 . 14 1 1 A 28 28 VAL CA C 28 66.400 66.371 0.029 1
1 199 . 14 1 1 A 28 28 VAL CB C 28 31.800 31.315 0.485 1
1 202 . 14 1 1 A 28 28 VAL N N 28 119.900 119.496 0.404 1
1 203 . 14 1 1 A 29 29 ILE H H 29 8.180 8.144 0.036 1
1 204 . 14 1 1 A 29 29 ILE HA H 29 3.290 3.938 -0.648 1
1 212 . 14 1 1 A 29 29 ILE C C 29 177.500 177.865 -0.365 1
1 213 . 14 1 1 A 29 29 ILE CA C 29 65.900 65.787 0.113 1
1 214 . 14 1 1 A 29 29 ILE CB C 29 37.600 37.735 -0.135 1
1 218 . 14 1 1 A 29 29 ILE N N 29 118.500 120.100 -1.600 1
1 219 . 14 1 1 A 30 30 GLU H H 30 8.370 8.206 0.164 1
1 220 . 14 1 1 A 30 30 GLU HA H 30 3.610 3.866 -0.256 1
1 225 . 14 1 1 A 30 30 GLU C C 30 179.000 179.111 -0.111 1
1 226 . 14 1 1 A 30 30 GLU CA C 30 60.400 59.780 0.620 1
1 227 . 14 1 1 A 30 30 GLU CB C 30 29.600 29.099 0.501 1
1 229 . 14 1 1 A 30 30 GLU N N 30 119.200 118.760 0.440 1
1 230 . 14 1 1 A 31 31 ASP H H 31 8.710 8.220 0.490 1
1 231 . 14 1 1 A 31 31 ASP HA H 31 4.370 4.419 -0.049 1
1 234 . 14 1 1 A 31 31 ASP CA C 31 57.600 56.576 1.024 1
1 235 . 14 1 1 A 31 31 ASP CB C 31 40.200 40.107 0.093 1
1 236 . 14 1 1 A 31 31 ASP N N 31 125.100 120.493 4.607 1
1 237 . 14 1 1 A 32 32 LYS H H 32 8.430 7.636 0.794 1
1 238 . 14 1 1 A 32 32 LYS HA H 32 4.030 4.054 -0.024 1
1 243 . 14 1 1 A 32 32 LYS C C 32 180.300 179.463 0.837 1
1 244 . 14 1 1 A 32 32 LYS CA C 32 60.400 59.383 1.017 1
1 245 . 14 1 1 A 32 32 LYS CB C 32 33.100 32.362 0.738 1
1 248 . 14 1 1 A 32 32 LYS N N 32 120.700 120.708 -0.008 1
1 249 . 14 1 1 A 33 33 LEU H H 33 8.580 7.545 1.035 1
1 250 . 14 1 1 A 33 33 LEU HA H 33 4.000 4.033 -0.033 1
1 260 . 14 1 1 A 33 33 LEU C C 33 179.200 179.423 -0.223 1
1 261 . 14 1 1 A 33 33 LEU CA C 33 58.000 57.683 0.317 1
1 262 . 14 1 1 A 33 33 LEU CB C 33 42.500 41.152 1.348 1
1 266 . 14 1 1 A 33 33 LEU N N 33 117.200 118.756 -1.556 1
1 267 . 14 1 1 A 34 34 SER H H 34 8.670 8.338 0.332 1
1 268 . 14 1 1 A 34 34 SER HA H 34 4.100 4.223 -0.123 1
1 271 . 14 1 1 A 34 34 SER C C 34 176.900 176.803 0.097 1
1 272 . 14 1 1 A 34 34 SER CA C 34 62.500 61.635 0.865 1
1 273 . 14 1 1 A 34 34 SER CB C 34 62.500 62.793 -0.293 1
1 274 . 14 1 1 A 34 34 SER N N 34 115.500 117.611 -2.111 1
1 275 . 14 1 1 A 35 35 SER H H 35 8.080 7.663 0.417 1
1 276 . 14 1 1 A 35 35 SER HA H 35 4.200 4.147 0.053 1
1 279 . 14 1 1 A 35 35 SER C C 35 175.900 175.877 0.023 1
1 280 . 14 1 1 A 35 35 SER CA C 35 60.900 61.391 -0.491 1
1 281 . 14 1 1 A 35 35 SER CB C 35 62.900 63.088 -0.188 1
1 282 . 14 1 1 A 35 35 SER N N 35 115.300 117.675 -2.375 1
1 283 . 14 1 1 A 36 36 ALA H H 36 7.570 7.677 -0.107 1
1 284 . 14 1 1 A 36 36 ALA HA H 36 4.340 4.312 0.028 1
1 288 . 14 1 1 A 36 36 ALA C C 36 179.200 179.738 -0.538 1
1 289 . 14 1 1 A 36 36 ALA CA C 36 54.300 54.208 0.092 1
1 290 . 14 1 1 A 36 36 ALA CB C 36 20.900 19.391 1.509 1
1 291 . 14 1 1 A 36 36 ALA N N 36 119.000 122.963 -3.963 1
1 292 . 14 1 1 A 37 37 LEU H H 37 7.960 8.206 -0.246 1
1 293 . 14 1 1 A 37 37 LEU HA H 37 4.530 4.073 0.457 1
1 303 . 14 1 1 A 37 37 LEU CA C 37 53.500 56.030 -2.530 1
1 304 . 14 1 1 A 37 37 LEU CB C 37 42.600 42.507 0.093 1
1 308 . 14 1 1 A 37 37 LEU N N 37 111.800 116.450 -4.650 1
1 309 . 14 1 1 A 38 38 LYS H H 38 7.600 7.672 -0.072 1
1 310 . 14 1 1 A 38 38 LYS HA H 38 4.250 4.137 0.113 1
1 313 . 14 1 1 A 38 38 LYS CA C 38 56.200 56.647 -0.447 1
1 314 . 14 1 1 A 38 38 LYS CB C 38 30.800 30.699 0.101 1
1 315 . 14 1 1 A 38 38 LYS N N 38 117.200 115.306 1.894 1
1 316 . 14 1 1 A 39 39 PRO HA H 39 4.670 4.532 0.138 1
1 323 . 14 1 1 A 39 39 PRO C C 39 178.100 177.602 0.498 1
1 324 . 14 1 1 A 39 39 PRO CA C 39 63.300 62.318 0.982 1
1 325 . 14 1 1 A 39 39 PRO CB C 39 32.700 32.113 0.587 1
1 328 . 14 1 1 A 40 40 THR H H 40 8.500 8.380 0.120 1
1 329 . 14 1 1 A 40 40 THR HA H 40 4.290 4.108 0.182 1
1 334 . 14 1 1 A 40 40 THR C C 40 175.700 174.496 1.204 1
1 335 . 14 1 1 A 40 40 THR CA C 40 63.200 64.359 -1.159 1
1 336 . 14 1 1 A 40 40 THR CB C 40 67.600 69.098 -1.498 1
1 338 . 14 1 1 A 40 40 THR N N 40 114.500 114.256 0.244 1
1 339 . 14 1 1 A 41 41 PHE H H 41 7.300 7.419 -0.119 1
1 340 . 14 1 1 A 41 41 PHE HA H 41 4.510 4.629 -0.119 1
1 347 . 14 1 1 A 41 41 PHE C C 41 171.500 172.950 -1.450 1
1 348 . 14 1 1 A 41 41 PHE CA C 41 58.800 56.938 1.862 1
1 349 . 14 1 1 A 41 41 PHE CB C 41 41.000 42.330 -1.330 1
1 354 . 14 1 1 A 41 41 PHE N N 41 121.100 120.775 0.325 1
1 355 . 14 1 1 A 42 42 LEU H H 42 7.530 8.263 -0.733 1
1 356 . 14 1 1 A 42 42 LEU HA H 42 4.910 5.057 -0.147 1
1 366 . 14 1 1 A 42 42 LEU C C 42 173.700 173.610 0.090 1
1 367 . 14 1 1 A 42 42 LEU CA C 42 53.500 54.085 -0.585 1
1 368 . 14 1 1 A 42 42 LEU CB C 42 45.300 45.747 -0.447 1
1 372 . 14 1 1 A 42 42 LEU N N 42 129.100 128.382 0.718 1
1 373 . 14 1 1 A 43 43 GLU H H 43 8.690 9.138 -0.448 1
1 374 . 14 1 1 A 43 43 GLU HA H 43 4.400 4.941 -0.541 1
1 379 . 14 1 1 A 43 43 GLU C C 43 173.500 174.812 -1.312 1
1 380 . 14 1 1 A 43 43 GLU CA C 43 55.800 54.556 1.244 1
1 381 . 14 1 1 A 43 43 GLU CB C 43 34.100 32.764 1.336 1
1 383 . 14 1 1 A 43 43 GLU N N 43 126.900 127.631 -0.731 1
1 384 . 14 1 1 A 44 44 LEU H H 44 9.000 8.877 0.123 1
1 385 . 14 1 1 A 44 44 LEU HA H 44 5.130 4.827 0.303 1
1 395 . 14 1 1 A 44 44 LEU C C 44 175.100 176.240 -1.140 1
1 396 . 14 1 1 A 44 44 LEU CA C 44 53.700 53.867 -0.167 1
1 397 . 14 1 1 A 44 44 LEU CB C 44 44.600 41.914 2.686 1
1 401 . 14 1 1 A 44 44 LEU N N 44 129.900 128.497 1.403 1
1 402 . 14 1 1 A 45 45 VAL H H 45 9.000 9.446 -0.446 1
1 403 . 14 1 1 A 45 45 VAL HA H 45 4.370 4.564 -0.194 1
1 411 . 14 1 1 A 45 45 VAL C C 45 175.100 175.345 -0.245 1
1 412 . 14 1 1 A 45 45 VAL CA C 45 61.200 61.192 0.008 1
1 413 . 14 1 1 A 45 45 VAL CB C 45 35.400 33.715 1.685 1
1 416 . 14 1 1 A 45 45 VAL N N 45 122.300 125.161 -2.861 1
1 417 . 14 1 1 A 46 46 ASP H H 46 9.080 8.684 0.396 1
1 418 . 14 1 1 A 46 46 ASP HA H 46 4.530 4.789 -0.259 1
1 421 . 14 1 1 A 46 46 ASP C C 46 176.900 176.957 -0.057 1
1 422 . 14 1 1 A 46 46 ASP CA C 46 53.900 54.028 -0.128 1
1 423 . 14 1 1 A 46 46 ASP CB C 46 40.600 40.947 -0.347 1
1 424 . 14 1 1 A 46 46 ASP N N 46 127.400 127.986 -0.586 1
1 425 . 14 1 1 A 47 47 LYS H H 47 8.490 8.674 -0.184 1
1 426 . 14 1 1 A 47 47 LYS HA H 47 4.560 4.434 0.126 1
1 427 . 14 1 1 A 47 47 LYS CA C 47 54.200 54.997 -0.797 1
1 428 . 14 1 1 A 47 47 LYS CB C 47 30.400 31.685 -1.285 1
1 429 . 14 1 1 A 47 47 LYS N N 47 129.500 127.971 1.529 1
1 430 . 14 1 1 A 54 54 SER HA H 54 5.550 5.273 0.277 1
1 433 . 14 1 1 A 54 54 SER C C 54 172.900 172.747 0.153 1
1 434 . 14 1 1 A 54 54 SER CA C 54 57.300 57.733 -0.433 1
1 435 . 14 1 1 A 54 54 SER CB C 54 65.800 66.854 -1.054 1
1 436 . 14 1 1 A 55 55 PHE H H 55 8.340 9.108 -0.768 1
1 437 . 14 1 1 A 55 55 PHE HA H 55 5.700 5.210 0.490 1
1 442 . 14 1 1 A 55 55 PHE C C 55 174.400 173.635 0.765 1
1 443 . 14 1 1 A 55 55 PHE CA C 55 56.700 56.160 0.540 1
1 444 . 14 1 1 A 55 55 PHE CB C 55 45.300 42.575 2.725 1
1 447 . 14 1 1 A 55 55 PHE N N 55 119.600 120.733 -1.133 1
1 448 . 14 1 1 A 56 56 ASP H H 56 8.840 8.809 0.031 1
1 449 . 14 1 1 A 56 56 ASP HA H 56 5.350 5.536 -0.186 1
1 452 . 14 1 1 A 56 56 ASP C C 56 174.400 174.628 -0.228 1
1 453 . 14 1 1 A 56 56 ASP CA C 56 52.900 52.524 0.376 1
1 454 . 14 1 1 A 56 56 ASP CB C 56 43.700 44.187 -0.487 1
1 455 . 14 1 1 A 56 56 ASP N N 56 121.500 124.046 -2.546 1
1 456 . 14 1 1 A 57 57 ALA H H 57 8.780 8.908 -0.128 1
1 457 . 14 1 1 A 57 57 ALA HA H 57 5.620 5.288 0.332 1
1 461 . 14 1 1 A 57 57 ALA C C 57 176.400 175.607 0.793 1
1 462 . 14 1 1 A 57 57 ALA CA C 57 50.200 50.398 -0.198 1
1 463 . 14 1 1 A 57 57 ALA CB C 57 23.600 21.524 2.076 1
1 464 . 14 1 1 A 57 57 ALA N N 57 125.000 129.391 -4.391 1
1 465 . 14 1 1 A 58 58 VAL H H 58 9.080 9.116 -0.036 1
1 466 . 14 1 1 A 58 58 VAL HA H 58 4.580 4.510 0.070 1
1 474 . 14 1 1 A 58 58 VAL C C 58 175.000 174.561 0.439 1
1 475 . 14 1 1 A 58 58 VAL CA C 58 62.800 62.389 0.411 1
1 476 . 14 1 1 A 58 58 VAL CB C 58 34.100 31.765 2.335 1
1 479 . 14 1 1 A 58 58 VAL N N 58 125.100 123.251 1.849 1
1 480 . 14 1 1 A 59 59 ILE H H 59 8.750 9.177 -0.427 1
1 481 . 14 1 1 A 59 59 ILE HA H 59 4.430 5.080 -0.650 1
1 489 . 14 1 1 A 59 59 ILE C C 59 173.900 173.911 -0.011 1
1 490 . 14 1 1 A 59 59 ILE CA C 59 60.900 60.133 0.767 1
1 491 . 14 1 1 A 59 59 ILE CB C 59 41.100 40.767 0.333 1
1 495 . 14 1 1 A 59 59 ILE N N 59 125.000 129.507 -4.507 1
1 496 . 14 1 1 A 60 60 VAL H H 60 8.540 9.344 -0.804 1
1 497 . 14 1 1 A 60 60 VAL HA H 60 5.540 5.813 -0.273 1
1 505 . 14 1 1 A 60 60 VAL C C 60 175.900 174.970 0.930 1
1 506 . 14 1 1 A 60 60 VAL CA C 60 60.200 60.829 -0.629 1
1 507 . 14 1 1 A 60 60 VAL CB C 60 31.800 32.860 -1.060 1
1 510 . 14 1 1 A 60 60 VAL N N 60 128.600 132.162 -3.562 1
1 511 . 14 1 1 A 61 61 SER H H 61 8.720 8.280 0.440 1
1 512 . 14 1 1 A 61 61 SER HA H 61 5.000 4.961 0.039 1
1 515 . 14 1 1 A 61 61 SER C C 61 175.700 174.866 0.834 1
1 516 . 14 1 1 A 61 61 SER CA C 61 56.500 56.170 0.330 1
1 517 . 14 1 1 A 61 61 SER CB C 61 64.400 66.149 -1.749 1
1 518 . 14 1 1 A 61 61 SER N N 61 115.900 119.849 -3.949 1
1 519 . 14 1 1 A 62 62 ASN H H 62 9.650 9.104 0.546 1
1 520 . 14 1 1 A 62 62 ASN HA H 62 4.670 4.413 0.257 1
1 525 . 14 1 1 A 62 62 ASN CA C 62 56.500 55.955 0.545 1
1 526 . 14 1 1 A 62 62 ASN CB C 62 38.600 38.105 0.495 1
1 528 . 14 1 1 A 62 62 ASN N N 62 129.400 121.422 7.978 1
1 530 . 14 1 1 A 63 63 ASN H H 63 8.920 8.074 0.846 1
1 531 . 14 1 1 A 63 63 ASN HA H 63 4.490 4.349 0.141 1
1 536 . 14 1 1 A 63 63 ASN C C 63 175.200 176.764 -1.564 1
1 537 . 14 1 1 A 63 63 ASN CA C 63 55.700 55.874 -0.174 1
1 538 . 14 1 1 A 63 63 ASN CB C 63 37.600 38.401 -0.801 1
1 539 . 14 1 1 A 63 63 ASN N N 63 119.500 118.268 1.232 1
1 541 . 14 1 1 A 64 64 PHE H H 64 6.950 7.451 -0.501 1
1 542 . 14 1 1 A 64 64 PHE HA H 64 4.690 4.579 0.111 1
1 545 . 14 1 1 A 64 64 PHE C C 64 174.200 176.909 -2.709 1
1 546 . 14 1 1 A 64 64 PHE CA C 64 54.900 58.117 -3.217 1
1 547 . 14 1 1 A 64 64 PHE CB C 64 37.500 39.106 -1.606 1
1 548 . 14 1 1 A 64 64 PHE N N 64 113.700 115.920 -2.220 1
1 549 . 14 1 1 A 65 65 GLU H H 65 7.470 8.704 -1.234 1
1 550 . 14 1 1 A 65 65 GLU HA H 65 4.010 4.173 -0.163 1
1 555 . 14 1 1 A 65 65 GLU C C 65 174.800 177.964 -3.164 1
1 556 . 14 1 1 A 65 65 GLU CA C 65 58.400 58.482 -0.082 1
1 557 . 14 1 1 A 65 65 GLU CB C 65 29.700 27.834 1.866 1
1 559 . 14 1 1 A 65 65 GLU N N 65 120.500 118.763 1.737 1
1 560 . 14 1 1 A 66 66 ASP H H 66 9.010 7.774 1.236 1
1 561 . 14 1 1 A 66 66 ASP HA H 66 4.390 4.735 -0.345 1
1 564 . 14 1 1 A 66 66 ASP C C 66 175.000 175.887 -0.887 1
1 565 . 14 1 1 A 66 66 ASP CA C 66 55.800 54.492 1.308 1
1 566 . 14 1 1 A 66 66 ASP CB C 66 39.800 41.434 -1.634 1
1 567 . 14 1 1 A 66 66 ASP N N 66 119.200 120.898 -1.698 1
1 568 . 14 1 1 A 67 67 LYS H H 67 7.800 7.806 -0.006 1
1 569 . 14 1 1 A 67 67 LYS C C 67 177.400 175.363 2.037 1
1 570 . 14 1 1 A 67 67 LYS CA C 67 54.700 57.717 -3.017 1
1 571 . 14 1 1 A 67 67 LYS CB C 67 38.400 31.435 6.965 1
1 575 . 14 1 1 A 67 67 LYS N N 67 117.200 119.585 -2.385 1
1 576 . 14 1 1 A 68 68 LYS H H 68 9.340 8.072 1.268 1
1 577 . 14 1 1 A 68 68 LYS HA H 68 4.400 4.335 0.065 1
1 586 . 14 1 1 A 68 68 LYS C C 68 177.500 178.006 -0.506 1
1 587 . 14 1 1 A 68 68 LYS CA C 68 55.900 56.170 -0.270 1
1 588 . 14 1 1 A 68 68 LYS CB C 68 32.700 32.254 0.446 1
1 592 . 14 1 1 A 68 68 LYS N N 68 125.800 120.452 5.348 1
1 593 . 14 1 1 A 69 69 LEU H H 69 8.710 8.480 0.230 1
1 594 . 14 1 1 A 69 69 LEU HA H 69 3.630 3.916 -0.286 1
1 603 . 14 1 1 A 69 69 LEU C C 69 178.400 178.665 -0.265 1
1 604 . 14 1 1 A 69 69 LEU CA C 69 60.300 58.191 2.109 1
1 605 . 14 1 1 A 69 69 LEU CB C 69 41.600 41.514 0.086 1
1 608 . 14 1 1 A 69 69 LEU N N 69 124.300 125.860 -1.560 1
1 609 . 14 1 1 A 70 70 LEU H H 70 8.700 8.052 0.648 1
1 610 . 14 1 1 A 70 70 LEU HA H 70 3.930 4.000 -0.070 1
1 620 . 14 1 1 A 70 70 LEU C C 70 179.400 178.459 0.941 1
1 621 . 14 1 1 A 70 70 LEU CA C 70 58.200 57.950 0.250 1
1 622 . 14 1 1 A 70 70 LEU CB C 70 41.700 41.181 0.519 1
1 626 . 14 1 1 A 70 70 LEU N N 70 116.100 117.789 -1.689 1
1 627 . 14 1 1 A 71 71 ASP H H 71 7.130 8.457 -1.327 1
1 628 . 14 1 1 A 71 71 ASP HA H 71 4.660 4.342 0.318 1
1 631 . 14 1 1 A 71 71 ASP C C 71 179.000 178.276 0.724 1
1 632 . 14 1 1 A 71 71 ASP CA C 71 57.100 57.860 -0.760 1
1 633 . 14 1 1 A 71 71 ASP CB C 71 40.800 41.355 -0.555 1
1 634 . 14 1 1 A 71 71 ASP N N 71 117.600 119.701 -2.101 1
1 635 . 14 1 1 A 72 72 ARG H H 72 8.190 8.432 -0.242 1
1 636 . 14 1 1 A 72 72 ARG HA H 72 3.930 4.384 -0.454 1
1 637 . 14 1 1 A 72 72 ARG C C 72 177.000 178.526 -1.526 1
1 638 . 14 1 1 A 72 72 ARG CA C 72 60.100 59.008 1.092 1
1 639 . 14 1 1 A 72 72 ARG CB C 72 29.300 30.022 -0.722 1
1 642 . 14 1 1 A 72 72 ARG N N 72 122.200 118.156 4.044 1
1 643 . 14 1 1 A 73 73 HIS H H 73 8.030 8.196 -0.166 1
1 644 . 14 1 1 A 73 73 HIS HA H 73 4.100 4.242 -0.142 1
1 648 . 14 1 1 A 73 73 HIS C C 73 177.300 177.255 0.045 1
1 649 . 14 1 1 A 73 73 HIS CA C 73 58.100 59.927 -1.827 1
1 650 . 14 1 1 A 73 73 HIS CB C 73 30.200 29.755 0.445 1
1 652 . 14 1 1 A 73 73 HIS N N 73 116.800 120.321 -3.521 1
1 653 . 14 1 1 A 74 74 ARG H H 74 8.290 8.367 -0.077 1
1 654 . 14 1 1 A 74 74 ARG HA H 74 4.080 4.010 0.070 1
1 661 . 14 1 1 A 74 74 ARG C C 74 178.700 178.748 -0.048 1
1 662 . 14 1 1 A 74 74 ARG CA C 74 59.700 58.975 0.725 1
1 663 . 14 1 1 A 74 74 ARG CB C 74 30.400 29.869 0.531 1
1 666 . 14 1 1 A 74 74 ARG N N 74 118.200 118.475 -0.275 1
1 667 . 14 1 1 A 75 75 LEU H H 75 7.740 8.062 -0.322 1
1 668 . 14 1 1 A 75 75 LEU HA H 75 4.270 4.052 0.218 1
1 678 . 14 1 1 A 75 75 LEU CA C 75 58.300 58.134 0.166 1
1 679 . 14 1 1 A 75 75 LEU CB C 75 42.000 42.170 -0.170 1
1 683 . 14 1 1 A 75 75 LEU N N 75 121.200 121.553 -0.353 1
1 684 . 14 1 1 A 76 76 VAL H H 76 7.590 8.059 -0.469 1
1 685 . 14 1 1 A 76 76 VAL HA H 76 3.360 3.567 -0.207 1
1 693 . 14 1 1 A 76 76 VAL C C 76 176.800 177.270 -0.470 1
1 694 . 14 1 1 A 76 76 VAL CA C 76 67.500 66.953 0.547 1
1 695 . 14 1 1 A 76 76 VAL CB C 76 31.500 31.460 0.040 1
1 698 . 14 1 1 A 76 76 VAL N N 76 119.300 117.243 2.057 1
1 699 . 14 1 1 A 77 77 ASN H H 77 8.690 8.023 0.667 1
1 700 . 14 1 1 A 77 77 ASN HA H 77 4.190 4.432 -0.242 1
1 705 . 14 1 1 A 77 77 ASN C C 77 178.000 178.145 -0.145 1
1 706 . 14 1 1 A 77 77 ASN CA C 77 55.400 56.301 -0.901 1
1 707 . 14 1 1 A 77 77 ASN CB C 77 37.600 38.130 -0.530 1
1 708 . 14 1 1 A 77 77 ASN N N 77 117.100 118.112 -1.012 1
1 710 . 14 1 1 A 78 78 THR H H 78 8.050 7.863 0.187 1
1 711 . 14 1 1 A 78 78 THR HA H 78 3.970 3.965 0.005 1
1 716 . 14 1 1 A 78 78 THR C C 78 176.900 176.580 0.320 1
1 717 . 14 1 1 A 78 78 THR CA C 78 66.700 67.309 -0.609 1
1 718 . 14 1 1 A 78 78 THR CB C 78 68.800 68.754 0.046 1
1 720 . 14 1 1 A 78 78 THR N N 78 116.300 116.496 -0.196 1
1 721 . 14 1 1 A 79 79 ILE H H 79 8.020 7.810 0.210 1
1 722 . 14 1 1 A 79 79 ILE HA H 79 3.670 3.753 -0.083 1
1 730 . 14 1 1 A 79 79 ILE CA C 79 65.000 64.207 0.793 1
1 731 . 14 1 1 A 79 79 ILE CB C 79 38.500 38.011 0.489 1
1 734 . 14 1 1 A 79 79 ILE N N 79 124.800 120.887 3.913 1
1 735 . 14 1 1 A 80 80 LEU H H 80 7.770 8.355 -0.585 1
1 745 . 14 1 1 A 80 80 LEU C C 80 176.000 179.238 -3.238 1
1 746 . 14 1 1 A 80 80 LEU CA C 80 52.900 56.417 -3.517 1
1 747 . 14 1 1 A 80 80 LEU CB C 80 41.100 41.491 -0.391 1
1 751 . 14 1 1 A 80 80 LEU N N 80 115.200 119.089 -3.889 1
1 752 . 14 1 1 A 81 81 LYS H H 81 6.880 7.885 -1.005 1
1 753 . 14 1 1 A 81 81 LYS HA H 81 3.820 3.992 -0.172 1
1 762 . 14 1 1 A 81 81 LYS C C 81 178.400 178.946 -0.546 1
1 763 . 14 1 1 A 81 81 LYS CA C 81 60.700 59.768 0.932 1
1 764 . 14 1 1 A 81 81 LYS CB C 81 32.800 31.954 0.846 1
1 768 . 14 1 1 A 81 81 LYS N N 81 120.300 120.992 -0.692 1
1 769 . 14 1 1 A 82 82 GLU H H 82 8.620 8.050 0.570 1
1 770 . 14 1 1 A 82 82 GLU HA H 82 4.020 4.008 0.012 1
1 773 . 14 1 1 A 82 82 GLU C C 82 178.500 178.576 -0.076 1
1 774 . 14 1 1 A 82 82 GLU CA C 82 59.000 59.469 -0.469 1
1 775 . 14 1 1 A 82 82 GLU CB C 82 28.700 29.162 -0.462 1
1 777 . 14 1 1 A 82 82 GLU N N 82 116.700 118.499 -1.799 1
1 778 . 14 1 1 A 83 83 GLU H H 83 8.070 7.845 0.225 1
1 779 . 14 1 1 A 83 83 GLU HA H 83 3.980 3.940 0.040 1
1 784 . 14 1 1 A 83 83 GLU C C 83 179.300 179.019 0.281 1
1 785 . 14 1 1 A 83 83 GLU CA C 83 60.900 58.999 1.901 1
1 786 . 14 1 1 A 83 83 GLU CB C 83 28.900 29.087 -0.187 1
1 788 . 14 1 1 A 83 83 GLU N N 83 120.300 119.457 0.843 1
1 789 . 14 1 1 A 84 84 LEU H H 84 8.480 8.522 -0.042 1
1 790 . 14 1 1 A 84 84 LEU HA H 84 3.910 3.935 -0.025 1
1 800 . 14 1 1 A 84 84 LEU C C 84 178.200 179.360 -1.160 1
1 801 . 14 1 1 A 84 84 LEU CA C 84 57.000 58.075 -1.075 1
1 802 . 14 1 1 A 84 84 LEU CB C 84 40.800 41.321 -0.521 1
1 806 . 14 1 1 A 84 84 LEU N N 84 116.700 120.121 -3.421 1
1 807 . 14 1 1 A 85 85 GLN H H 85 7.130 7.570 -0.440 1
1 808 . 14 1 1 A 85 85 GLN HA H 85 4.140 4.014 0.126 1
1 815 . 14 1 1 A 85 85 GLN C C 85 176.300 177.279 -0.979 1
1 816 . 14 1 1 A 85 85 GLN CA C 85 57.900 58.649 -0.749 1
1 817 . 14 1 1 A 85 85 GLN CB C 85 28.900 28.245 0.655 1
1 819 . 14 1 1 A 85 85 GLN N N 85 115.400 116.844 -1.444 1
1 821 . 14 1 1 A 86 86 ASN H H 86 7.630 7.858 -0.228 1
1 822 . 14 1 1 A 86 86 ASN HA H 86 5.020 4.796 0.224 1
1 827 . 14 1 1 A 86 86 ASN C C 86 174.100 174.989 -0.889 1
1 828 . 14 1 1 A 86 86 ASN CA C 86 52.800 53.744 -0.944 1
1 829 . 14 1 1 A 86 86 ASN CB C 86 40.400 39.137 1.263 1
1 830 . 14 1 1 A 86 86 ASN N N 86 114.000 115.842 -1.842 1
1 832 . 14 1 1 A 87 87 ILE H H 87 7.300 8.226 -0.926 1
1 833 . 14 1 1 A 87 87 ILE HA H 87 4.320 4.668 -0.348 1
1 843 . 14 1 1 A 87 87 ILE C C 87 174.500 176.062 -1.562 1
1 844 . 14 1 1 A 87 87 ILE CA C 87 60.400 59.852 0.548 1
1 845 . 14 1 1 A 87 87 ILE CB C 87 40.600 40.654 -0.054 1
1 849 . 14 1 1 A 87 87 ILE N N 87 119.300 119.945 -0.645 1
1 850 . 14 1 1 A 88 88 HIS H H 88 9.140 8.860 0.280 1
1 851 . 14 1 1 A 88 88 HIS HA H 88 4.680 4.415 0.265 1
1 855 . 14 1 1 A 88 88 HIS CA C 88 57.300 59.150 -1.850 1
1 856 . 14 1 1 A 88 88 HIS CB C 88 30.200 30.965 -0.765 1
1 858 . 14 1 1 A 88 88 HIS N N 88 125.000 125.309 -0.309 1
1 859 . 14 1 1 A 89 89 ALA H H 89 7.600 7.901 -0.301 1
1 860 . 14 1 1 A 89 89 ALA HA H 89 4.620 4.689 -0.069 1
1 864 . 14 1 1 A 89 89 ALA C C 89 174.300 175.415 -1.115 1
1 865 . 14 1 1 A 89 89 ALA CA C 89 52.300 51.740 0.560 1
1 866 . 14 1 1 A 89 89 ALA CB C 89 21.300 21.417 -0.117 1
1 867 . 14 1 1 A 89 89 ALA N N 89 120.100 118.289 1.811 1
1 868 . 14 1 1 A 90 90 PHE H H 90 8.830 9.301 -0.471 1
1 869 . 14 1 1 A 90 90 PHE HA H 90 5.220 5.467 -0.247 1
1 877 . 14 1 1 A 90 90 PHE C C 90 173.700 173.927 -0.227 1
1 878 . 14 1 1 A 90 90 PHE CA C 90 57.200 56.398 0.802 1
1 879 . 14 1 1 A 90 90 PHE CB C 90 42.000 42.457 -0.457 1
1 885 . 14 1 1 A 90 90 PHE N N 90 126.100 126.129 -0.029 1
1 886 . 14 1 1 A 91 91 SER H H 91 8.320 8.938 -0.618 1
1 887 . 14 1 1 A 91 91 SER HA H 91 4.730 5.312 -0.582 1
1 891 . 14 1 1 A 91 91 SER C C 91 172.600 173.279 -0.679 1
1 892 . 14 1 1 A 91 91 SER CA C 91 56.500 55.935 0.565 1
1 893 . 14 1 1 A 91 91 SER CB C 91 64.100 65.096 -0.996 1
1 894 . 14 1 1 A 91 91 SER N N 91 123.100 121.067 2.033 1
1 895 . 14 1 1 A 92 92 MET H H 92 8.660 8.940 -0.280 1
1 896 . 14 1 1 A 92 92 MET HA H 92 5.490 5.265 0.225 1
1 901 . 14 1 1 A 92 92 MET C C 92 174.300 175.017 -0.717 1
1 902 . 14 1 1 A 92 92 MET CA C 92 53.600 53.070 0.530 1
1 903 . 14 1 1 A 92 92 MET CB C 92 37.500 34.742 2.758 1
1 906 . 14 1 1 A 92 92 MET N N 92 119.600 121.333 -1.733 1
1 907 . 14 1 1 A 93 93 LYS H H 93 8.190 9.103 -0.913 1
1 908 . 14 1 1 A 93 93 LYS HA H 93 4.450 4.846 -0.396 1
1 917 . 14 1 1 A 93 93 LYS C C 93 174.400 174.874 -0.474 1
1 918 . 14 1 1 A 93 93 LYS CA C 93 55.400 55.143 0.257 1
1 919 . 14 1 1 A 93 93 LYS CB C 93 34.700 33.811 0.889 1
1 923 . 14 1 1 A 93 93 LYS N N 93 122.700 122.434 0.266 1
1 924 . 14 1 1 A 94 94 CYS H H 94 8.340 8.928 -0.588 1
1 925 . 14 1 1 A 94 94 CYS HA H 94 4.960 4.839 0.121 1
1 928 . 14 1 1 A 94 94 CYS C C 94 173.600 174.185 -0.585 1
1 929 . 14 1 1 A 94 94 CYS CA C 94 56.600 58.136 -1.536 1
1 930 . 14 1 1 A 94 94 CYS CB C 94 29.800 28.322 1.478 1
1 931 . 14 1 1 A 94 94 CYS N N 94 120.300 125.518 -5.218 1
1 932 . 14 1 1 A 95 95 HIS H H 95 9.040 9.203 -0.163 1
1 933 . 14 1 1 A 95 95 HIS HA H 95 5.440 5.428 0.012 1
1 936 . 14 1 1 A 95 95 HIS C C 95 175.700 173.874 1.826 1
1 937 . 14 1 1 A 95 95 HIS CA C 95 53.600 54.679 -1.079 1
1 938 . 14 1 1 A 95 95 HIS CB C 95 35.300 33.424 1.876 1
1 939 . 14 1 1 A 95 95 HIS N N 95 122.000 127.316 -5.316 1
1 940 . 14 1 1 A 96 96 THR H H 96 8.910 8.371 0.539 1
1 941 . 14 1 1 A 96 96 THR HA H 96 5.150 4.897 0.253 1
1 945 . 14 1 1 A 96 96 THR CA C 96 60.100 59.075 1.025 1
1 946 . 14 1 1 A 96 96 THR CB C 96 67.600 69.529 -1.929 1
1 948 . 14 1 1 A 96 96 THR N N 96 113.600 115.319 -1.719 1
1 949 . 14 1 1 A 97 97 PRO HA H 97 4.060 4.603 -0.543 1
1 956 . 14 1 1 A 97 97 PRO C C 97 178.600 177.673 0.927 1
1 957 . 14 1 1 A 97 97 PRO CA C 97 66.600 64.722 1.878 1
1 958 . 14 1 1 A 97 97 PRO CB C 97 31.600 32.003 -0.403 1
1 961 . 14 1 1 A 98 98 LEU H H 98 8.410 7.729 0.681 1
1 962 . 14 1 1 A 98 98 LEU HA H 98 4.230 4.077 0.153 1
1 971 . 14 1 1 A 98 98 LEU C C 98 179.800 178.338 1.462 1
1 972 . 14 1 1 A 98 98 LEU CA C 98 58.200 57.637 0.563 1
1 973 . 14 1 1 A 98 98 LEU CB C 98 42.000 41.767 0.233 1
1 976 . 14 1 1 A 98 98 LEU N N 98 118.300 118.027 0.273 1
1 977 . 14 1 1 A 99 99 GLU H H 99 7.660 8.258 -0.598 1
1 978 . 14 1 1 A 99 99 GLU HA H 99 3.900 4.030 -0.130 1
1 983 . 14 1 1 A 99 99 GLU C C 99 180.200 178.603 1.597 1
1 984 . 14 1 1 A 99 99 GLU CA C 99 58.400 59.404 -1.004 1
1 985 . 14 1 1 A 99 99 GLU CB C 99 30.400 29.381 1.019 1
1 987 . 14 1 1 A 99 99 GLU N N 99 118.100 117.948 0.152 1
1 988 . 14 1 1 A 100 100 TYR H H 100 8.770 8.115 0.655 1
1 989 . 14 1 1 A 100 100 TYR HA H 100 3.860 4.432 -0.572 1
1 996 . 14 1 1 A 100 100 TYR C C 100 176.800 177.583 -0.783 1
1 997 . 14 1 1 A 100 100 TYR CA C 100 60.800 61.177 -0.377 1
1 998 . 14 1 1 A 100 100 TYR CB C 100 39.200 38.681 0.519 1
1 1003 . 14 1 1 A 100 100 TYR N N 100 120.100 122.677 -2.577 1
1 1004 . 14 1 1 A 101 101 ASP H H 101 8.100 8.323 -0.223 1
1 1005 . 14 1 1 A 101 101 ASP HA H 101 4.180 4.180 0.000 1
1 1008 . 14 1 1 A 101 101 ASP C C 101 178.700 178.529 0.171 1
1 1009 . 14 1 1 A 101 101 ASP CA C 101 57.300 57.556 -0.256 1
1 1010 . 14 1 1 A 101 101 ASP CB C 101 40.800 41.593 -0.793 1
1 1011 . 14 1 1 A 101 101 ASP N N 101 118.400 119.157 -0.757 1
1 1012 . 14 1 1 A 102 102 LYS H H 102 7.480 7.893 -0.413 1
1 1013 . 14 1 1 A 102 102 LYS HA H 102 4.070 4.077 -0.007 1
1 1020 . 14 1 1 A 102 102 LYS CA C 102 58.300 58.396 -0.096 1
1 1021 . 14 1 1 A 102 102 LYS CB C 102 32.300 31.924 0.376 1
1 1024 . 14 1 1 A 102 102 LYS N N 102 117.500 118.598 -1.098 1
1 1025 . 14 1 1 A 103 103 LEU H H 103 7.580 7.862 -0.282 1
1 1026 . 14 1 1 A 103 103 LEU HA H 103 4.050 4.034 0.016 1
1 1036 . 14 1 1 A 103 103 LEU C C 103 178.700 179.538 -0.838 1
1 1037 . 14 1 1 A 103 103 LEU CA C 103 56.800 57.839 -1.039 1
1 1038 . 14 1 1 A 103 103 LEU CB C 103 42.000 41.631 0.369 1
1 1042 . 14 1 1 A 103 103 LEU N N 103 120.100 120.291 -0.191 1
1 1043 . 14 1 1 A 104 104 LYS H H 104 7.730 7.845 -0.115 1
1 1044 . 14 1 1 A 104 104 LYS HA H 104 3.960 4.014 -0.054 1
1 1053 . 14 1 1 A 104 104 LYS CA C 104 56.700 58.502 -1.802 1
1 1054 . 14 1 1 A 104 104 LYS CB C 104 31.700 31.082 0.618 1
1 1058 . 14 1 1 A 104 104 LYS N N 104 118.500 118.441 0.059 1
1 1059 . 14 1 1 A 105 105 SER H H 105 7.790 7.461 0.329 1
1 1060 . 14 1 1 A 105 105 SER HA H 105 4.330 4.215 0.115 1
1 1063 . 14 1 1 A 105 105 SER C C 105 174.700 174.073 0.627 1
1 1064 . 14 1 1 A 105 105 SER CA C 105 58.900 61.301 -2.401 1
1 1065 . 14 1 1 A 105 105 SER CB C 105 63.500 62.966 0.534 1
1 1066 . 14 1 1 A 105 105 SER N N 105 114.900 115.540 -0.640 1
1 1067 . 14 1 1 A 106 106 LYS H H 106 8.000 7.133 0.867 1
1 1068 . 14 1 1 A 106 106 LYS HA H 106 4.300 4.692 -0.392 1
1 1077 . 14 1 1 A 106 106 LYS C C 106 177.000 176.553 0.447 1
1 1078 . 14 1 1 A 106 106 LYS CA C 106 56.600 54.372 2.228 1
1 1079 . 14 1 1 A 106 106 LYS CB C 106 32.800 33.806 -1.006 1
1 1081 . 14 1 1 A 106 106 LYS N N 106 122.400 116.369 6.031 1
1 1082 . 14 1 1 A 107 107 GLY H H 107 8.310 8.345 -0.035 1
1 1083 . 14 1 1 A 107 107 GLY HA2 H 107 3.990 4.166 -0.176 1
1 1084 . 14 1 1 A 107 107 GLY HA3 H 107 3.990 4.173 -0.183 1
1 1085 . 14 1 1 A 107 107 GLY CA C 107 45.300 45.685 -0.385 1
1 1086 . 14 1 1 A 107 107 GLY N N 107 110.000 107.870 2.130 1
1 1 . 15 1 1 A 11 11 SER HA H 11 4.510 4.216 0.294 1
1 4 . 15 1 1 A 11 11 SER C C 11 174.600 174.774 -0.174 1
1 5 . 15 1 1 A 11 11 SER CA C 11 58.400 60.878 -2.478 1
1 6 . 15 1 1 A 11 11 SER CB C 11 63.800 63.505 0.295 1
1 7 . 15 1 1 A 12 12 SER H H 12 8.630 7.769 0.861 1
1 8 . 15 1 1 A 12 12 SER HA H 12 4.500 4.413 0.087 1
1 11 . 15 1 1 A 12 12 SER C C 12 175.000 174.373 0.627 1
1 12 . 15 1 1 A 12 12 SER CA C 12 58.600 58.314 0.286 1
1 13 . 15 1 1 A 12 12 SER CB C 12 63.900 62.793 1.107 1
1 14 . 15 1 1 A 12 12 SER N N 12 118.300 114.153 4.147 1
1 15 . 15 1 1 A 13 13 GLY H H 13 8.560 8.561 -0.001 1
1 16 . 15 1 1 A 13 13 GLY HA2 H 13 4.050 3.883 0.167 1
1 17 . 15 1 1 A 13 13 GLY HA3 H 13 4.050 3.900 0.150 1
1 18 . 15 1 1 A 13 13 GLY C C 13 174.300 174.558 -0.258 1
1 19 . 15 1 1 A 13 13 GLY CA C 13 45.400 46.348 -0.948 1
1 20 . 15 1 1 A 13 13 GLY N N 13 111.000 111.688 -0.688 1
1 21 . 15 1 1 A 14 14 ARG H H 14 8.260 7.947 0.313 1
1 22 . 15 1 1 A 14 14 ARG HA H 14 4.320 4.621 -0.301 1
1 29 . 15 1 1 A 14 14 ARG C C 14 176.400 177.414 -1.014 1
1 30 . 15 1 1 A 14 14 ARG CA C 14 56.300 56.757 -0.457 1
1 31 . 15 1 1 A 14 14 ARG CB C 14 30.600 32.473 -1.873 1
1 34 . 15 1 1 A 14 14 ARG N N 14 120.400 116.321 4.079 1
1 35 . 15 1 1 A 15 15 GLU H H 15 8.660 8.233 0.427 1
1 36 . 15 1 1 A 15 15 GLU HA H 15 4.210 4.509 -0.299 1
1 41 . 15 1 1 A 15 15 GLU C C 15 176.200 177.371 -1.171 1
1 42 . 15 1 1 A 15 15 GLU CA C 15 57.200 56.501 0.699 1
1 43 . 15 1 1 A 15 15 GLU CB C 15 29.700 29.453 0.247 1
1 45 . 15 1 1 A 15 15 GLU N N 15 121.100 118.043 3.057 1
1 46 . 15 1 1 A 16 16 ASN H H 16 8.420 8.466 -0.046 1
1 47 . 15 1 1 A 16 16 ASN HA H 16 4.680 4.565 0.115 1
1 52 . 15 1 1 A 16 16 ASN C C 16 175.100 175.646 -0.546 1
1 53 . 15 1 1 A 16 16 ASN CA C 16 53.300 53.649 -0.349 1
1 54 . 15 1 1 A 16 16 ASN CB C 16 38.700 37.422 1.278 1
1 55 . 15 1 1 A 16 16 ASN N N 16 118.900 118.625 0.275 1
1 57 . 15 1 1 A 17 17 LEU H H 17 8.110 7.811 0.299 1
1 58 . 15 1 1 A 17 17 LEU HA H 17 4.210 4.414 -0.204 1
1 68 . 15 1 1 A 17 17 LEU C C 17 177.000 176.119 0.881 1
1 69 . 15 1 1 A 17 17 LEU CA C 17 55.600 54.042 1.558 1
1 70 . 15 1 1 A 17 17 LEU CB C 17 42.200 41.402 0.798 1
1 74 . 15 1 1 A 17 17 LEU N N 17 121.900 117.426 4.474 1
1 75 . 15 1 1 A 18 18 TYR H H 18 8.070 7.395 0.675 1
1 76 . 15 1 1 A 18 18 TYR HA H 18 4.530 5.063 -0.533 1
1 83 . 15 1 1 A 18 18 TYR C C 18 175.700 176.249 -0.549 1
1 84 . 15 1 1 A 18 18 TYR CA C 18 58.000 56.473 1.527 1
1 85 . 15 1 1 A 18 18 TYR CB C 18 38.700 42.059 -3.359 1
1 90 . 15 1 1 A 18 18 TYR N N 18 119.500 120.165 -0.665 1
1 91 . 15 1 1 A 19 19 PHE H H 19 8.120 8.725 -0.605 1
1 92 . 15 1 1 A 19 19 PHE HA H 19 4.560 4.593 -0.033 1
1 99 . 15 1 1 A 19 19 PHE C C 19 175.500 175.774 -0.274 1
1 100 . 15 1 1 A 19 19 PHE CA C 19 57.900 57.663 0.237 1
1 101 . 15 1 1 A 19 19 PHE CB C 19 39.500 39.047 0.453 1
1 106 . 15 1 1 A 19 19 PHE N N 19 121.200 119.483 1.717 1
1 107 . 15 1 1 A 20 20 GLN H H 20 8.300 7.402 0.898 1
1 108 . 15 1 1 A 20 20 GLN HA H 20 4.200 3.908 0.292 1
1 115 . 15 1 1 A 20 20 GLN C C 20 176.000 176.847 -0.847 1
1 116 . 15 1 1 A 20 20 GLN CA C 20 56.100 57.718 -1.618 1
1 117 . 15 1 1 A 20 20 GLN CB C 20 29.100 28.169 0.931 1
1 119 . 15 1 1 A 20 20 GLN N N 20 121.700 121.543 0.157 1
1 121 . 15 1 1 A 21 21 GLY H H 21 7.970 8.961 -0.991 1
1 122 . 15 1 1 A 21 21 GLY HA2 H 21 3.940 4.115 -0.175 1
1 123 . 15 1 1 A 21 21 GLY HA3 H 21 3.830 4.162 -0.332 1
1 124 . 15 1 1 A 21 21 GLY CA C 21 45.400 45.646 -0.246 1
1 125 . 15 1 1 A 21 21 GLY N N 21 108.500 113.220 -4.720 1
1 126 . 15 1 1 A 22 22 HIS H H 22 8.280 8.478 -0.198 1
1 127 . 15 1 1 A 22 22 HIS C C 22 174.000 175.332 -1.332 1
1 128 . 15 1 1 A 22 22 HIS CA C 22 56.000 56.989 -0.989 1
1 129 . 15 1 1 A 22 22 HIS CB C 22 29.900 29.537 0.363 1
1 130 . 15 1 1 A 22 22 HIS N N 22 118.700 119.392 -0.692 1
1 134 . 15 1 1 A 23 23 MET C C 23 175.900 174.740 1.160 1
1 135 . 15 1 1 A 23 23 MET CB C 23 32.700 36.651 -3.951 1
1 137 . 15 1 1 A 24 24 CYS H H 24 8.390 8.812 -0.422 1
1 138 . 15 1 1 A 24 24 CYS HA H 24 4.620 4.601 0.019 1
1 141 . 15 1 1 A 24 24 CYS C C 24 175.400 175.811 -0.411 1
1 142 . 15 1 1 A 24 24 CYS CA C 24 58.000 59.357 -1.357 1
1 143 . 15 1 1 A 24 24 CYS CB C 24 27.900 28.611 -0.711 1
1 144 . 15 1 1 A 24 24 CYS N N 24 120.600 120.341 0.259 1
1 145 . 15 1 1 A 25 25 ILE H H 25 8.550 8.651 -0.101 1
1 146 . 15 1 1 A 25 25 ILE HA H 25 4.010 3.904 0.106 1
1 156 . 15 1 1 A 25 25 ILE C C 25 176.200 176.926 -0.726 1
1 157 . 15 1 1 A 25 25 ILE CA C 25 63.400 64.382 -0.982 1
1 158 . 15 1 1 A 25 25 ILE CB C 25 38.100 37.797 0.303 1
1 162 . 15 1 1 A 25 25 ILE N N 25 124.600 128.039 -3.439 1
1 163 . 15 1 1 A 26 26 GLN H H 26 8.860 7.792 1.068 1
1 164 . 15 1 1 A 26 26 GLN HA H 26 3.340 3.438 -0.098 1
1 171 . 15 1 1 A 26 26 GLN C C 26 176.800 177.920 -1.120 1
1 172 . 15 1 1 A 26 26 GLN CA C 26 60.200 58.968 1.232 1
1 173 . 15 1 1 A 26 26 GLN CB C 26 27.800 28.128 -0.328 1
1 175 . 15 1 1 A 26 26 GLN N N 26 121.900 120.721 1.179 1
1 177 . 15 1 1 A 27 27 LYS H H 27 7.340 7.440 -0.100 1
1 178 . 15 1 1 A 27 27 LYS HA H 27 4.070 4.249 -0.179 1
1 181 . 15 1 1 A 27 27 LYS C C 27 177.900 179.324 -1.424 1
1 182 . 15 1 1 A 27 27 LYS CA C 27 58.300 59.045 -0.745 1
1 183 . 15 1 1 A 27 27 LYS CB C 27 31.800 32.242 -0.442 1
1 187 . 15 1 1 A 27 27 LYS N N 27 117.700 119.809 -2.109 1
1 188 . 15 1 1 A 28 28 VAL H H 28 7.570 7.684 -0.114 1
1 189 . 15 1 1 A 28 28 VAL HA H 28 3.680 3.574 0.106 1
1 197 . 15 1 1 A 28 28 VAL C C 28 178.600 177.976 0.624 1
1 198 . 15 1 1 A 28 28 VAL CA C 28 66.400 66.325 0.075 1
1 199 . 15 1 1 A 28 28 VAL CB C 28 31.800 31.578 0.222 1
1 202 . 15 1 1 A 28 28 VAL N N 28 119.900 119.999 -0.099 1
1 203 . 15 1 1 A 29 29 ILE H H 29 8.180 8.227 -0.047 1
1 204 . 15 1 1 A 29 29 ILE HA H 29 3.290 3.372 -0.082 1
1 212 . 15 1 1 A 29 29 ILE C C 29 177.500 178.147 -0.647 1
1 213 . 15 1 1 A 29 29 ILE CA C 29 65.900 65.721 0.179 1
1 214 . 15 1 1 A 29 29 ILE CB C 29 37.600 37.749 -0.149 1
1 218 . 15 1 1 A 29 29 ILE N N 29 118.500 120.252 -1.752 1
1 219 . 15 1 1 A 30 30 GLU H H 30 8.370 7.944 0.426 1
1 220 . 15 1 1 A 30 30 GLU HA H 30 3.610 3.888 -0.278 1
1 225 . 15 1 1 A 30 30 GLU C C 30 179.000 178.040 0.960 1
1 226 . 15 1 1 A 30 30 GLU CA C 30 60.400 59.547 0.853 1
1 227 . 15 1 1 A 30 30 GLU CB C 30 29.600 28.906 0.694 1
1 229 . 15 1 1 A 30 30 GLU N N 30 119.200 120.489 -1.289 1
1 230 . 15 1 1 A 31 31 ASP H H 31 8.710 7.955 0.755 1
1 231 . 15 1 1 A 31 31 ASP HA H 31 4.370 3.765 0.605 1
1 234 . 15 1 1 A 31 31 ASP CA C 31 57.600 57.081 0.519 1
1 235 . 15 1 1 A 31 31 ASP CB C 31 40.200 41.204 -1.004 1
1 236 . 15 1 1 A 31 31 ASP N N 31 125.100 119.760 5.340 1
1 237 . 15 1 1 A 32 32 LYS H H 32 8.430 7.748 0.682 1
1 238 . 15 1 1 A 32 32 LYS HA H 32 4.030 4.023 0.007 1
1 243 . 15 1 1 A 32 32 LYS C C 32 180.300 179.449 0.851 1
1 244 . 15 1 1 A 32 32 LYS CA C 32 60.400 59.286 1.114 1
1 245 . 15 1 1 A 32 32 LYS CB C 32 33.100 32.045 1.055 1
1 248 . 15 1 1 A 32 32 LYS N N 32 120.700 120.420 0.280 1
1 249 . 15 1 1 A 33 33 LEU H H 33 8.580 7.835 0.745 1
1 250 . 15 1 1 A 33 33 LEU HA H 33 4.000 3.978 0.022 1
1 260 . 15 1 1 A 33 33 LEU C C 33 179.200 179.326 -0.126 1
1 261 . 15 1 1 A 33 33 LEU CA C 33 58.000 57.882 0.118 1
1 262 . 15 1 1 A 33 33 LEU CB C 33 42.500 41.153 1.347 1
1 266 . 15 1 1 A 33 33 LEU N N 33 117.200 119.226 -2.026 1
1 267 . 15 1 1 A 34 34 SER H H 34 8.670 7.924 0.746 1
1 268 . 15 1 1 A 34 34 SER HA H 34 4.100 4.275 -0.175 1
1 271 . 15 1 1 A 34 34 SER C C 34 176.900 176.788 0.112 1
1 272 . 15 1 1 A 34 34 SER CA C 34 62.500 61.536 0.964 1
1 273 . 15 1 1 A 34 34 SER CB C 34 62.500 63.027 -0.527 1
1 274 . 15 1 1 A 34 34 SER N N 34 115.500 117.817 -2.317 1
1 275 . 15 1 1 A 35 35 SER H H 35 8.080 7.858 0.222 1
1 276 . 15 1 1 A 35 35 SER HA H 35 4.200 4.084 0.116 1
1 279 . 15 1 1 A 35 35 SER C C 35 175.900 175.830 0.070 1
1 280 . 15 1 1 A 35 35 SER CA C 35 60.900 61.350 -0.450 1
1 281 . 15 1 1 A 35 35 SER CB C 35 62.900 62.988 -0.088 1
1 282 . 15 1 1 A 35 35 SER N N 35 115.300 117.815 -2.515 1
1 283 . 15 1 1 A 36 36 ALA H H 36 7.570 7.363 0.207 1
1 284 . 15 1 1 A 36 36 ALA HA H 36 4.340 4.322 0.018 1
1 288 . 15 1 1 A 36 36 ALA C C 36 179.200 179.600 -0.400 1
1 289 . 15 1 1 A 36 36 ALA CA C 36 54.300 53.994 0.306 1
1 290 . 15 1 1 A 36 36 ALA CB C 36 20.900 19.565 1.335 1
1 291 . 15 1 1 A 36 36 ALA N N 36 119.000 122.830 -3.830 1
1 292 . 15 1 1 A 37 37 LEU H H 37 7.960 8.176 -0.216 1
1 293 . 15 1 1 A 37 37 LEU HA H 37 4.530 4.203 0.327 1
1 303 . 15 1 1 A 37 37 LEU CA C 37 53.500 55.883 -2.383 1
1 304 . 15 1 1 A 37 37 LEU CB C 37 42.600 42.355 0.245 1
1 308 . 15 1 1 A 37 37 LEU N N 37 111.800 116.544 -4.744 1
1 309 . 15 1 1 A 38 38 LYS H H 38 7.600 7.614 -0.014 1
1 310 . 15 1 1 A 38 38 LYS HA H 38 4.250 4.409 -0.159 1
1 313 . 15 1 1 A 38 38 LYS CA C 38 56.200 56.760 -0.560 1
1 314 . 15 1 1 A 38 38 LYS CB C 38 30.800 30.663 0.137 1
1 315 . 15 1 1 A 38 38 LYS N N 38 117.200 115.780 1.420 1
1 316 . 15 1 1 A 39 39 PRO HA H 39 4.670 4.685 -0.015 1
1 323 . 15 1 1 A 39 39 PRO C C 39 178.100 176.780 1.320 1
1 324 . 15 1 1 A 39 39 PRO CA C 39 63.300 62.153 1.147 1
1 325 . 15 1 1 A 39 39 PRO CB C 39 32.700 32.651 0.049 1
1 328 . 15 1 1 A 40 40 THR H H 40 8.500 8.599 -0.099 1
1 329 . 15 1 1 A 40 40 THR HA H 40 4.290 4.452 -0.162 1
1 334 . 15 1 1 A 40 40 THR C C 40 175.700 174.752 0.948 1
1 335 . 15 1 1 A 40 40 THR CA C 40 63.200 62.622 0.578 1
1 336 . 15 1 1 A 40 40 THR CB C 40 67.600 69.520 -1.920 1
1 338 . 15 1 1 A 40 40 THR N N 40 114.500 111.508 2.992 1
1 339 . 15 1 1 A 41 41 PHE H H 41 7.300 7.288 0.012 1
1 340 . 15 1 1 A 41 41 PHE HA H 41 4.510 4.563 -0.053 1
1 347 . 15 1 1 A 41 41 PHE C C 41 171.500 172.985 -1.485 1
1 348 . 15 1 1 A 41 41 PHE CA C 41 58.800 56.225 2.575 1
1 349 . 15 1 1 A 41 41 PHE CB C 41 41.000 42.259 -1.259 1
1 354 . 15 1 1 A 41 41 PHE N N 41 121.100 121.426 -0.326 1
1 355 . 15 1 1 A 42 42 LEU H H 42 7.530 8.124 -0.594 1
1 356 . 15 1 1 A 42 42 LEU HA H 42 4.910 4.817 0.093 1
1 366 . 15 1 1 A 42 42 LEU C C 42 173.700 173.421 0.279 1
1 367 . 15 1 1 A 42 42 LEU CA C 42 53.500 53.969 -0.469 1
1 368 . 15 1 1 A 42 42 LEU CB C 42 45.300 45.388 -0.088 1
1 372 . 15 1 1 A 42 42 LEU N N 42 129.100 128.666 0.434 1
1 373 . 15 1 1 A 43 43 GLU H H 43 8.690 8.832 -0.142 1
1 374 . 15 1 1 A 43 43 GLU HA H 43 4.400 4.939 -0.539 1
1 379 . 15 1 1 A 43 43 GLU C C 43 173.500 174.912 -1.412 1
1 380 . 15 1 1 A 43 43 GLU CA C 43 55.800 54.715 1.085 1
1 381 . 15 1 1 A 43 43 GLU CB C 43 34.100 32.982 1.118 1
1 383 . 15 1 1 A 43 43 GLU N N 43 126.900 127.627 -0.727 1
1 384 . 15 1 1 A 44 44 LEU H H 44 9.000 9.158 -0.158 1
1 385 . 15 1 1 A 44 44 LEU HA H 44 5.130 5.107 0.023 1
1 395 . 15 1 1 A 44 44 LEU C C 44 175.100 176.107 -1.007 1
1 396 . 15 1 1 A 44 44 LEU CA C 44 53.700 53.544 0.156 1
1 397 . 15 1 1 A 44 44 LEU CB C 44 44.600 43.177 1.423 1
1 401 . 15 1 1 A 44 44 LEU N N 44 129.900 127.835 2.065 1
1 402 . 15 1 1 A 45 45 VAL H H 45 9.000 9.006 -0.006 1
1 403 . 15 1 1 A 45 45 VAL HA H 45 4.370 4.634 -0.264 1
1 411 . 15 1 1 A 45 45 VAL C C 45 175.100 174.857 0.243 1
1 412 . 15 1 1 A 45 45 VAL CA C 45 61.200 60.693 0.507 1
1 413 . 15 1 1 A 45 45 VAL CB C 45 35.400 35.149 0.251 1
1 416 . 15 1 1 A 45 45 VAL N N 45 122.300 124.785 -2.485 1
1 417 . 15 1 1 A 46 46 ASP H H 46 9.080 8.755 0.325 1
1 418 . 15 1 1 A 46 46 ASP HA H 46 4.530 5.043 -0.513 1
1 421 . 15 1 1 A 46 46 ASP C C 46 176.900 177.229 -0.329 1
1 422 . 15 1 1 A 46 46 ASP CA C 46 53.900 54.563 -0.663 1
1 423 . 15 1 1 A 46 46 ASP CB C 46 40.600 41.860 -1.260 1
1 424 . 15 1 1 A 46 46 ASP N N 46 127.400 126.752 0.648 1
1 425 . 15 1 1 A 47 47 LYS H H 47 8.490 9.009 -0.519 1
1 426 . 15 1 1 A 47 47 LYS HA H 47 4.560 4.353 0.207 1
1 427 . 15 1 1 A 47 47 LYS CA C 47 54.200 56.564 -2.364 1
1 428 . 15 1 1 A 47 47 LYS CB C 47 30.400 33.055 -2.655 1
1 429 . 15 1 1 A 47 47 LYS N N 47 129.500 127.400 2.100 1
1 430 . 15 1 1 A 54 54 SER HA H 54 5.550 5.514 0.036 1
1 433 . 15 1 1 A 54 54 SER C C 54 172.900 172.981 -0.081 1
1 434 . 15 1 1 A 54 54 SER CA C 54 57.300 56.292 1.008 1
1 435 . 15 1 1 A 54 54 SER CB C 54 65.800 65.762 0.038 1
1 436 . 15 1 1 A 55 55 PHE H H 55 8.340 8.831 -0.491 1
1 437 . 15 1 1 A 55 55 PHE HA H 55 5.700 5.219 0.481 1
1 442 . 15 1 1 A 55 55 PHE C C 55 174.400 173.633 0.767 1
1 443 . 15 1 1 A 55 55 PHE CA C 55 56.700 56.396 0.304 1
1 444 . 15 1 1 A 55 55 PHE CB C 55 45.300 42.189 3.111 1
1 447 . 15 1 1 A 55 55 PHE N N 55 119.600 121.410 -1.810 1
1 448 . 15 1 1 A 56 56 ASP H H 56 8.840 9.394 -0.554 1
1 449 . 15 1 1 A 56 56 ASP HA H 56 5.350 5.312 0.038 1
1 452 . 15 1 1 A 56 56 ASP C C 56 174.400 174.455 -0.055 1
1 453 . 15 1 1 A 56 56 ASP CA C 56 52.900 52.436 0.464 1
1 454 . 15 1 1 A 56 56 ASP CB C 56 43.700 42.604 1.096 1
1 455 . 15 1 1 A 56 56 ASP N N 56 121.500 124.244 -2.744 1
1 456 . 15 1 1 A 57 57 ALA H H 57 8.780 8.760 0.020 1
1 457 . 15 1 1 A 57 57 ALA HA H 57 5.620 5.332 0.288 1
1 461 . 15 1 1 A 57 57 ALA C C 57 176.400 175.666 0.734 1
1 462 . 15 1 1 A 57 57 ALA CA C 57 50.200 50.190 0.010 1
1 463 . 15 1 1 A 57 57 ALA CB C 57 23.600 20.782 2.818 1
1 464 . 15 1 1 A 57 57 ALA N N 57 125.000 129.479 -4.479 1
1 465 . 15 1 1 A 58 58 VAL H H 58 9.080 8.751 0.329 1
1 466 . 15 1 1 A 58 58 VAL HA H 58 4.580 4.457 0.123 1
1 474 . 15 1 1 A 58 58 VAL C C 58 175.000 175.967 -0.967 1
1 475 . 15 1 1 A 58 58 VAL CA C 58 62.800 62.547 0.253 1
1 476 . 15 1 1 A 58 58 VAL CB C 58 34.100 31.719 2.381 1
1 479 . 15 1 1 A 58 58 VAL N N 58 125.100 123.165 1.935 1
1 480 . 15 1 1 A 59 59 ILE H H 59 8.750 9.120 -0.370 1
1 481 . 15 1 1 A 59 59 ILE HA H 59 4.430 4.966 -0.536 1
1 489 . 15 1 1 A 59 59 ILE C C 59 173.900 174.808 -0.908 1
1 490 . 15 1 1 A 59 59 ILE CA C 59 60.900 59.367 1.533 1
1 491 . 15 1 1 A 59 59 ILE CB C 59 41.100 39.642 1.458 1
1 495 . 15 1 1 A 59 59 ILE N N 59 125.000 124.257 0.743 1
1 496 . 15 1 1 A 60 60 VAL H H 60 8.540 8.740 -0.200 1
1 497 . 15 1 1 A 60 60 VAL HA H 60 5.540 5.124 0.416 1
1 505 . 15 1 1 A 60 60 VAL C C 60 175.900 174.533 1.367 1
1 506 . 15 1 1 A 60 60 VAL CA C 60 60.200 61.282 -1.082 1
1 507 . 15 1 1 A 60 60 VAL CB C 60 31.800 33.505 -1.705 1
1 510 . 15 1 1 A 60 60 VAL N N 60 128.600 123.408 5.192 1
1 511 . 15 1 1 A 61 61 SER H H 61 8.720 8.493 0.227 1
1 512 . 15 1 1 A 61 61 SER HA H 61 5.000 5.078 -0.078 1
1 515 . 15 1 1 A 61 61 SER C C 61 175.700 173.964 1.736 1
1 516 . 15 1 1 A 61 61 SER CA C 61 56.500 56.792 -0.292 1
1 517 . 15 1 1 A 61 61 SER CB C 61 64.400 65.155 -0.755 1
1 518 . 15 1 1 A 61 61 SER N N 61 115.900 121.496 -5.596 1
1 519 . 15 1 1 A 62 62 ASN H H 62 9.650 9.149 0.501 1
1 520 . 15 1 1 A 62 62 ASN HA H 62 4.670 4.512 0.158 1
1 525 . 15 1 1 A 62 62 ASN CA C 62 56.500 55.696 0.804 1
1 526 . 15 1 1 A 62 62 ASN CB C 62 38.600 38.115 0.485 1
1 528 . 15 1 1 A 62 62 ASN N N 62 129.400 123.907 5.493 1
1 530 . 15 1 1 A 63 63 ASN H H 63 8.920 8.215 0.705 1
1 531 . 15 1 1 A 63 63 ASN HA H 63 4.490 4.511 -0.021 1
1 536 . 15 1 1 A 63 63 ASN C C 63 175.200 177.498 -2.298 1
1 537 . 15 1 1 A 63 63 ASN CA C 63 55.700 56.194 -0.494 1
1 538 . 15 1 1 A 63 63 ASN CB C 63 37.600 39.047 -1.447 1
1 539 . 15 1 1 A 63 63 ASN N N 63 119.500 117.938 1.562 1
1 541 . 15 1 1 A 64 64 PHE H H 64 6.950 7.665 -0.715 1
1 542 . 15 1 1 A 64 64 PHE HA H 64 4.690 4.263 0.427 1
1 545 . 15 1 1 A 64 64 PHE C C 64 174.200 177.419 -3.219 1
1 546 . 15 1 1 A 64 64 PHE CA C 64 54.900 59.832 -4.932 1
1 547 . 15 1 1 A 64 64 PHE CB C 64 37.500 39.699 -2.199 1
1 548 . 15 1 1 A 64 64 PHE N N 64 113.700 119.952 -6.252 1
1 549 . 15 1 1 A 65 65 GLU H H 65 7.470 8.386 -0.916 1
1 550 . 15 1 1 A 65 65 GLU HA H 65 4.010 4.024 -0.014 1
1 555 . 15 1 1 A 65 65 GLU C C 65 174.800 177.991 -3.191 1
1 556 . 15 1 1 A 65 65 GLU CA C 65 58.400 58.401 -0.001 1
1 557 . 15 1 1 A 65 65 GLU CB C 65 29.700 29.801 -0.101 1
1 559 . 15 1 1 A 65 65 GLU N N 65 120.500 119.339 1.161 1
1 560 . 15 1 1 A 66 66 ASP H H 66 9.010 7.666 1.344 1
1 561 . 15 1 1 A 66 66 ASP HA H 66 4.390 4.655 -0.265 1
1 564 . 15 1 1 A 66 66 ASP C C 66 175.000 175.567 -0.567 1
1 565 . 15 1 1 A 66 66 ASP CA C 66 55.800 54.226 1.574 1
1 566 . 15 1 1 A 66 66 ASP CB C 66 39.800 41.257 -1.457 1
1 567 . 15 1 1 A 66 66 ASP N N 66 119.200 119.578 -0.378 1
1 568 . 15 1 1 A 67 67 LYS H H 67 7.800 7.710 0.090 1
1 569 . 15 1 1 A 67 67 LYS C C 67 177.400 175.197 2.203 1
1 570 . 15 1 1 A 67 67 LYS CA C 67 54.700 57.214 -2.514 1
1 571 . 15 1 1 A 67 67 LYS CB C 67 38.400 29.002 9.398 1
1 575 . 15 1 1 A 67 67 LYS N N 67 117.200 116.254 0.946 1
1 576 . 15 1 1 A 68 68 LYS H H 68 9.340 8.233 1.107 1
1 577 . 15 1 1 A 68 68 LYS HA H 68 4.400 4.518 -0.118 1
1 586 . 15 1 1 A 68 68 LYS C C 68 177.500 176.448 1.052 1
1 587 . 15 1 1 A 68 68 LYS CA C 68 55.900 54.420 1.480 1
1 588 . 15 1 1 A 68 68 LYS CB C 68 32.700 30.859 1.841 1
1 592 . 15 1 1 A 68 68 LYS N N 68 125.800 119.171 6.629 1
1 593 . 15 1 1 A 69 69 LEU H H 69 8.710 8.304 0.406 1
1 594 . 15 1 1 A 69 69 LEU HA H 69 3.630 4.184 -0.554 1
1 603 . 15 1 1 A 69 69 LEU C C 69 178.400 178.229 0.171 1
1 604 . 15 1 1 A 69 69 LEU CA C 69 60.300 58.220 2.080 1
1 605 . 15 1 1 A 69 69 LEU CB C 69 41.600 42.036 -0.436 1
1 608 . 15 1 1 A 69 69 LEU N N 69 124.300 126.298 -1.998 1
1 609 . 15 1 1 A 70 70 LEU H H 70 8.700 7.985 0.715 1
1 610 . 15 1 1 A 70 70 LEU HA H 70 3.930 4.001 -0.071 1
1 620 . 15 1 1 A 70 70 LEU C C 70 179.400 178.400 1.000 1
1 621 . 15 1 1 A 70 70 LEU CA C 70 58.200 57.965 0.235 1
1 622 . 15 1 1 A 70 70 LEU CB C 70 41.700 41.196 0.504 1
1 626 . 15 1 1 A 70 70 LEU N N 70 116.100 117.052 -0.952 1
1 627 . 15 1 1 A 71 71 ASP H H 71 7.130 8.432 -1.302 1
1 628 . 15 1 1 A 71 71 ASP HA H 71 4.660 4.346 0.314 1
1 631 . 15 1 1 A 71 71 ASP C C 71 179.000 178.312 0.688 1
1 632 . 15 1 1 A 71 71 ASP CA C 71 57.100 57.578 -0.478 1
1 633 . 15 1 1 A 71 71 ASP CB C 71 40.800 41.031 -0.231 1
1 634 . 15 1 1 A 71 71 ASP N N 71 117.600 119.548 -1.948 1
1 635 . 15 1 1 A 72 72 ARG H H 72 8.190 8.078 0.112 1
1 636 . 15 1 1 A 72 72 ARG HA H 72 3.930 4.144 -0.214 1
1 637 . 15 1 1 A 72 72 ARG C C 72 177.000 178.474 -1.474 1
1 638 . 15 1 1 A 72 72 ARG CA C 72 60.100 58.803 1.297 1
1 639 . 15 1 1 A 72 72 ARG CB C 72 29.300 30.092 -0.792 1
1 642 . 15 1 1 A 72 72 ARG N N 72 122.200 117.940 4.260 1
1 643 . 15 1 1 A 73 73 HIS H H 73 8.030 7.786 0.244 1
1 644 . 15 1 1 A 73 73 HIS HA H 73 4.100 4.283 -0.183 1
1 648 . 15 1 1 A 73 73 HIS C C 73 177.300 177.415 -0.115 1
1 649 . 15 1 1 A 73 73 HIS CA C 73 58.100 59.641 -1.541 1
1 650 . 15 1 1 A 73 73 HIS CB C 73 30.200 29.987 0.213 1
1 652 . 15 1 1 A 73 73 HIS N N 73 116.800 120.321 -3.521 1
1 653 . 15 1 1 A 74 74 ARG H H 74 8.290 8.089 0.201 1
1 654 . 15 1 1 A 74 74 ARG HA H 74 4.080 3.964 0.116 1
1 661 . 15 1 1 A 74 74 ARG C C 74 178.700 178.780 -0.080 1
1 662 . 15 1 1 A 74 74 ARG CA C 74 59.700 58.988 0.712 1
1 663 . 15 1 1 A 74 74 ARG CB C 74 30.400 29.886 0.514 1
1 666 . 15 1 1 A 74 74 ARG N N 74 118.200 118.466 -0.266 1
1 667 . 15 1 1 A 75 75 LEU H H 75 7.740 8.414 -0.674 1
1 668 . 15 1 1 A 75 75 LEU HA H 75 4.270 4.019 0.251 1
1 678 . 15 1 1 A 75 75 LEU CA C 75 58.300 58.071 0.229 1
1 679 . 15 1 1 A 75 75 LEU CB C 75 42.000 41.917 0.083 1
1 683 . 15 1 1 A 75 75 LEU N N 75 121.200 121.221 -0.021 1
1 684 . 15 1 1 A 76 76 VAL H H 76 7.590 8.019 -0.429 1
1 685 . 15 1 1 A 76 76 VAL HA H 76 3.360 3.454 -0.094 1
1 693 . 15 1 1 A 76 76 VAL C C 76 176.800 177.214 -0.414 1
1 694 . 15 1 1 A 76 76 VAL CA C 76 67.500 66.834 0.666 1
1 695 . 15 1 1 A 76 76 VAL CB C 76 31.500 31.137 0.363 1
1 698 . 15 1 1 A 76 76 VAL N N 76 119.300 117.583 1.717 1
1 699 . 15 1 1 A 77 77 ASN H H 77 8.690 8.025 0.665 1
1 700 . 15 1 1 A 77 77 ASN HA H 77 4.190 4.414 -0.224 1
1 705 . 15 1 1 A 77 77 ASN C C 77 178.000 178.162 -0.162 1
1 706 . 15 1 1 A 77 77 ASN CA C 77 55.400 55.939 -0.539 1
1 707 . 15 1 1 A 77 77 ASN CB C 77 37.600 37.790 -0.190 1
1 708 . 15 1 1 A 77 77 ASN N N 77 117.100 118.620 -1.520 1
1 710 . 15 1 1 A 78 78 THR H H 78 8.050 7.825 0.225 1
1 711 . 15 1 1 A 78 78 THR HA H 78 3.970 3.975 -0.005 1
1 716 . 15 1 1 A 78 78 THR C C 78 176.900 176.509 0.391 1
1 717 . 15 1 1 A 78 78 THR CA C 78 66.700 67.091 -0.391 1
1 718 . 15 1 1 A 78 78 THR CB C 78 68.800 68.274 0.526 1
1 720 . 15 1 1 A 78 78 THR N N 78 116.300 118.346 -2.046 1
1 721 . 15 1 1 A 79 79 ILE H H 79 8.020 7.525 0.495 1
1 722 . 15 1 1 A 79 79 ILE HA H 79 3.670 3.851 -0.181 1
1 730 . 15 1 1 A 79 79 ILE CA C 79 65.000 64.108 0.892 1
1 731 . 15 1 1 A 79 79 ILE CB C 79 38.500 38.061 0.439 1
1 734 . 15 1 1 A 79 79 ILE N N 79 124.800 120.490 4.310 1
1 735 . 15 1 1 A 80 80 LEU H H 80 7.770 8.233 -0.463 1
1 745 . 15 1 1 A 80 80 LEU C C 80 176.000 178.331 -2.331 1
1 746 . 15 1 1 A 80 80 LEU CA C 80 52.900 55.361 -2.461 1
1 747 . 15 1 1 A 80 80 LEU CB C 80 41.100 41.312 -0.212 1
1 751 . 15 1 1 A 80 80 LEU N N 80 115.200 119.298 -4.098 1
1 752 . 15 1 1 A 81 81 LYS H H 81 6.880 7.629 -0.749 1
1 753 . 15 1 1 A 81 81 LYS HA H 81 3.820 3.873 -0.053 1
1 762 . 15 1 1 A 81 81 LYS C C 81 178.400 178.741 -0.341 1
1 763 . 15 1 1 A 81 81 LYS CA C 81 60.700 59.739 0.961 1
1 764 . 15 1 1 A 81 81 LYS CB C 81 32.800 32.474 0.326 1
1 768 . 15 1 1 A 81 81 LYS N N 81 120.300 121.214 -0.914 1
1 769 . 15 1 1 A 82 82 GLU H H 82 8.620 8.202 0.418 1
1 770 . 15 1 1 A 82 82 GLU HA H 82 4.020 4.095 -0.075 1
1 773 . 15 1 1 A 82 82 GLU C C 82 178.500 179.507 -1.007 1
1 774 . 15 1 1 A 82 82 GLU CA C 82 59.000 59.276 -0.276 1
1 775 . 15 1 1 A 82 82 GLU CB C 82 28.700 29.075 -0.375 1
1 777 . 15 1 1 A 82 82 GLU N N 82 116.700 118.014 -1.314 1
1 778 . 15 1 1 A 83 83 GLU H H 83 8.070 7.766 0.304 1
1 779 . 15 1 1 A 83 83 GLU HA H 83 3.980 3.986 -0.006 1
1 784 . 15 1 1 A 83 83 GLU C C 83 179.300 179.249 0.051 1
1 785 . 15 1 1 A 83 83 GLU CA C 83 60.900 59.099 1.801 1
1 786 . 15 1 1 A 83 83 GLU CB C 83 28.900 29.403 -0.503 1
1 788 . 15 1 1 A 83 83 GLU N N 83 120.300 120.016 0.284 1
1 789 . 15 1 1 A 84 84 LEU H H 84 8.480 8.659 -0.179 1
1 790 . 15 1 1 A 84 84 LEU HA H 84 3.910 3.950 -0.040 1
1 800 . 15 1 1 A 84 84 LEU C C 84 178.200 179.116 -0.916 1
1 801 . 15 1 1 A 84 84 LEU CA C 84 57.000 57.964 -0.964 1
1 802 . 15 1 1 A 84 84 LEU CB C 84 40.800 41.212 -0.412 1
1 806 . 15 1 1 A 84 84 LEU N N 84 116.700 119.994 -3.294 1
1 807 . 15 1 1 A 85 85 GLN H H 85 7.130 7.522 -0.392 1
1 808 . 15 1 1 A 85 85 GLN HA H 85 4.140 4.104 0.036 1
1 815 . 15 1 1 A 85 85 GLN C C 85 176.300 176.869 -0.569 1
1 816 . 15 1 1 A 85 85 GLN CA C 85 57.900 58.310 -0.410 1
1 817 . 15 1 1 A 85 85 GLN CB C 85 28.900 28.570 0.330 1
1 819 . 15 1 1 A 85 85 GLN N N 85 115.400 116.464 -1.064 1
1 821 . 15 1 1 A 86 86 ASN H H 86 7.630 7.625 0.005 1
1 822 . 15 1 1 A 86 86 ASN HA H 86 5.020 4.837 0.183 1
1 827 . 15 1 1 A 86 86 ASN C C 86 174.100 174.831 -0.731 1
1 828 . 15 1 1 A 86 86 ASN CA C 86 52.800 53.444 -0.644 1
1 829 . 15 1 1 A 86 86 ASN CB C 86 40.400 39.406 0.994 1
1 830 . 15 1 1 A 86 86 ASN N N 86 114.000 115.753 -1.753 1
1 832 . 15 1 1 A 87 87 ILE H H 87 7.300 7.955 -0.655 1
1 833 . 15 1 1 A 87 87 ILE HA H 87 4.320 4.680 -0.360 1
1 843 . 15 1 1 A 87 87 ILE C C 87 174.500 176.288 -1.788 1
1 844 . 15 1 1 A 87 87 ILE CA C 87 60.400 59.823 0.577 1
1 845 . 15 1 1 A 87 87 ILE CB C 87 40.600 40.458 0.142 1
1 849 . 15 1 1 A 87 87 ILE N N 87 119.300 120.014 -0.714 1
1 850 . 15 1 1 A 88 88 HIS H H 88 9.140 8.543 0.597 1
1 851 . 15 1 1 A 88 88 HIS HA H 88 4.680 4.448 0.232 1
1 855 . 15 1 1 A 88 88 HIS CA C 88 57.300 58.475 -1.175 1
1 856 . 15 1 1 A 88 88 HIS CB C 88 30.200 31.360 -1.160 1
1 858 . 15 1 1 A 88 88 HIS N N 88 125.000 125.293 -0.293 1
1 859 . 15 1 1 A 89 89 ALA H H 89 7.600 7.198 0.402 1
1 860 . 15 1 1 A 89 89 ALA HA H 89 4.620 4.561 0.059 1
1 864 . 15 1 1 A 89 89 ALA C C 89 174.300 175.542 -1.242 1
1 865 . 15 1 1 A 89 89 ALA CA C 89 52.300 51.747 0.553 1
1 866 . 15 1 1 A 89 89 ALA CB C 89 21.300 20.626 0.674 1
1 867 . 15 1 1 A 89 89 ALA N N 89 120.100 118.862 1.238 1
1 868 . 15 1 1 A 90 90 PHE H H 90 8.830 9.307 -0.477 1
1 869 . 15 1 1 A 90 90 PHE HA H 90 5.220 5.480 -0.260 1
1 877 . 15 1 1 A 90 90 PHE C C 90 173.700 174.140 -0.440 1
1 878 . 15 1 1 A 90 90 PHE CA C 90 57.200 56.804 0.396 1
1 879 . 15 1 1 A 90 90 PHE CB C 90 42.000 42.637 -0.637 1
1 885 . 15 1 1 A 90 90 PHE N N 90 126.100 127.014 -0.914 1
1 886 . 15 1 1 A 91 91 SER H H 91 8.320 8.430 -0.110 1
1 887 . 15 1 1 A 91 91 SER HA H 91 4.730 5.276 -0.546 1
1 891 . 15 1 1 A 91 91 SER C C 91 172.600 172.319 0.281 1
1 892 . 15 1 1 A 91 91 SER CA C 91 56.500 57.070 -0.570 1
1 893 . 15 1 1 A 91 91 SER CB C 91 64.100 66.095 -1.995 1
1 894 . 15 1 1 A 91 91 SER N N 91 123.100 122.688 0.412 1
1 895 . 15 1 1 A 92 92 MET H H 92 8.660 9.102 -0.442 1
1 896 . 15 1 1 A 92 92 MET HA H 92 5.490 5.299 0.191 1
1 901 . 15 1 1 A 92 92 MET C C 92 174.300 174.592 -0.292 1
1 902 . 15 1 1 A 92 92 MET CA C 92 53.600 53.371 0.229 1
1 903 . 15 1 1 A 92 92 MET CB C 92 37.500 35.480 2.020 1
1 906 . 15 1 1 A 92 92 MET N N 92 119.600 118.736 0.864 1
1 907 . 15 1 1 A 93 93 LYS H H 93 8.190 9.128 -0.938 1
1 908 . 15 1 1 A 93 93 LYS HA H 93 4.450 4.818 -0.368 1
1 917 . 15 1 1 A 93 93 LYS C C 93 174.400 175.322 -0.922 1
1 918 . 15 1 1 A 93 93 LYS CA C 93 55.400 54.656 0.744 1
1 919 . 15 1 1 A 93 93 LYS CB C 93 34.700 34.471 0.229 1
1 923 . 15 1 1 A 93 93 LYS N N 93 122.700 120.257 2.443 1
1 924 . 15 1 1 A 94 94 CYS H H 94 8.340 8.597 -0.257 1
1 925 . 15 1 1 A 94 94 CYS HA H 94 4.960 4.759 0.201 1
1 928 . 15 1 1 A 94 94 CYS C C 94 173.600 173.826 -0.226 1
1 929 . 15 1 1 A 94 94 CYS CA C 94 56.600 57.573 -0.973 1
1 930 . 15 1 1 A 94 94 CYS CB C 94 29.800 28.058 1.742 1
1 931 . 15 1 1 A 94 94 CYS N N 94 120.300 124.839 -4.539 1
1 932 . 15 1 1 A 95 95 HIS H H 95 9.040 8.859 0.181 1
1 933 . 15 1 1 A 95 95 HIS HA H 95 5.440 5.008 0.432 1
1 936 . 15 1 1 A 95 95 HIS C C 95 175.700 174.895 0.805 1
1 937 . 15 1 1 A 95 95 HIS CA C 95 53.600 54.815 -1.215 1
1 938 . 15 1 1 A 95 95 HIS CB C 95 35.300 34.072 1.228 1
1 939 . 15 1 1 A 95 95 HIS N N 95 122.000 121.478 0.522 1
1 940 . 15 1 1 A 96 96 THR H H 96 8.910 8.903 0.007 1
1 941 . 15 1 1 A 96 96 THR HA H 96 5.150 5.057 0.093 1
1 945 . 15 1 1 A 96 96 THR CA C 96 60.100 59.578 0.522 1
1 946 . 15 1 1 A 96 96 THR CB C 96 67.600 69.704 -2.104 1
1 948 . 15 1 1 A 96 96 THR N N 96 113.600 114.444 -0.844 1
1 949 . 15 1 1 A 97 97 PRO HA H 97 4.060 4.419 -0.359 1
1 956 . 15 1 1 A 97 97 PRO C C 97 178.600 177.708 0.892 1
1 957 . 15 1 1 A 97 97 PRO CA C 97 66.600 65.632 0.968 1
1 958 . 15 1 1 A 97 97 PRO CB C 97 31.600 31.913 -0.313 1
1 961 . 15 1 1 A 98 98 LEU H H 98 8.410 7.787 0.623 1
1 962 . 15 1 1 A 98 98 LEU HA H 98 4.230 4.099 0.131 1
1 971 . 15 1 1 A 98 98 LEU C C 98 179.800 178.165 1.635 1
1 972 . 15 1 1 A 98 98 LEU CA C 98 58.200 57.635 0.565 1
1 973 . 15 1 1 A 98 98 LEU CB C 98 42.000 41.827 0.173 1
1 976 . 15 1 1 A 98 98 LEU N N 98 118.300 117.880 0.420 1
1 977 . 15 1 1 A 99 99 GLU H H 99 7.660 8.275 -0.615 1
1 978 . 15 1 1 A 99 99 GLU HA H 99 3.900 4.053 -0.153 1
1 983 . 15 1 1 A 99 99 GLU C C 99 180.200 178.687 1.513 1
1 984 . 15 1 1 A 99 99 GLU CA C 99 58.400 58.862 -0.462 1
1 985 . 15 1 1 A 99 99 GLU CB C 99 30.400 29.154 1.246 1
1 987 . 15 1 1 A 99 99 GLU N N 99 118.100 119.092 -0.992 1
1 988 . 15 1 1 A 100 100 TYR H H 100 8.770 8.337 0.433 1
1 989 . 15 1 1 A 100 100 TYR HA H 100 3.860 4.199 -0.339 1
1 996 . 15 1 1 A 100 100 TYR C C 100 176.800 177.462 -0.662 1
1 997 . 15 1 1 A 100 100 TYR CA C 100 60.800 61.482 -0.682 1
1 998 . 15 1 1 A 100 100 TYR CB C 100 39.200 38.790 0.410 1
1 1003 . 15 1 1 A 100 100 TYR N N 100 120.100 121.221 -1.121 1
1 1004 . 15 1 1 A 101 101 ASP H H 101 8.100 8.023 0.077 1
1 1005 . 15 1 1 A 101 101 ASP HA H 101 4.180 4.038 0.142 1
1 1008 . 15 1 1 A 101 101 ASP C C 101 178.700 178.425 0.275 1
1 1009 . 15 1 1 A 101 101 ASP CA C 101 57.300 57.645 -0.345 1
1 1010 . 15 1 1 A 101 101 ASP CB C 101 40.800 41.285 -0.485 1
1 1011 . 15 1 1 A 101 101 ASP N N 101 118.400 118.937 -0.537 1
1 1012 . 15 1 1 A 102 102 LYS H H 102 7.480 7.493 -0.013 1
1 1013 . 15 1 1 A 102 102 LYS HA H 102 4.070 4.086 -0.016 1
1 1020 . 15 1 1 A 102 102 LYS CA C 102 58.300 59.378 -1.078 1
1 1021 . 15 1 1 A 102 102 LYS CB C 102 32.300 32.164 0.136 1
1 1024 . 15 1 1 A 102 102 LYS N N 102 117.500 118.734 -1.234 1
1 1025 . 15 1 1 A 103 103 LEU H H 103 7.580 7.624 -0.044 1
1 1026 . 15 1 1 A 103 103 LEU HA H 103 4.050 3.926 0.124 1
1 1036 . 15 1 1 A 103 103 LEU C C 103 178.700 179.449 -0.749 1
1 1037 . 15 1 1 A 103 103 LEU CA C 103 56.800 57.797 -0.997 1
1 1038 . 15 1 1 A 103 103 LEU CB C 103 42.000 40.902 1.098 1
1 1042 . 15 1 1 A 103 103 LEU N N 103 120.100 120.299 -0.199 1
1 1043 . 15 1 1 A 104 104 LYS H H 104 7.730 7.699 0.031 1
1 1044 . 15 1 1 A 104 104 LYS HA H 104 3.960 3.955 0.005 1
1 1053 . 15 1 1 A 104 104 LYS CA C 104 56.700 58.097 -1.397 1
1 1054 . 15 1 1 A 104 104 LYS CB C 104 31.700 31.253 0.447 1
1 1058 . 15 1 1 A 104 104 LYS N N 104 118.500 118.501 -0.001 1
1 1059 . 15 1 1 A 105 105 SER H H 105 7.790 7.581 0.209 1
1 1060 . 15 1 1 A 105 105 SER HA H 105 4.330 4.031 0.299 1
1 1063 . 15 1 1 A 105 105 SER C C 105 174.700 176.210 -1.510 1
1 1064 . 15 1 1 A 105 105 SER CA C 105 58.900 62.201 -3.301 1
1 1065 . 15 1 1 A 105 105 SER CB C 105 63.500 63.011 0.489 1
1 1066 . 15 1 1 A 105 105 SER N N 105 114.900 117.747 -2.847 1
1 1067 . 15 1 1 A 106 106 LYS H H 106 8.000 7.832 0.168 1
1 1068 . 15 1 1 A 106 106 LYS HA H 106 4.300 4.374 -0.074 1
1 1077 . 15 1 1 A 106 106 LYS C C 106 177.000 177.589 -0.589 1
1 1078 . 15 1 1 A 106 106 LYS CA C 106 56.600 56.148 0.452 1
1 1079 . 15 1 1 A 106 106 LYS CB C 106 32.800 34.234 -1.434 1
1 1081 . 15 1 1 A 106 106 LYS N N 106 122.400 115.821 6.579 1
1 1082 . 15 1 1 A 107 107 GLY H H 107 8.310 8.559 -0.249 1
1 1083 . 15 1 1 A 107 107 GLY HA2 H 107 3.990 3.901 0.089 1
1 1084 . 15 1 1 A 107 107 GLY HA3 H 107 3.990 3.933 0.057 1
1 1085 . 15 1 1 A 107 107 GLY CA C 107 45.300 46.384 -1.084 1
1 1086 . 15 1 1 A 107 107 GLY N N 107 110.000 109.670 0.330 1
1 1 . 16 1 1 A 11 11 SER HA H 11 4.510 4.313 0.197 1
1 4 . 16 1 1 A 11 11 SER C C 11 174.600 175.457 -0.857 1
1 5 . 16 1 1 A 11 11 SER CA C 11 58.400 59.914 -1.514 1
1 6 . 16 1 1 A 11 11 SER CB C 11 63.800 63.145 0.655 1
1 7 . 16 1 1 A 12 12 SER H H 12 8.630 8.578 0.052 1
1 8 . 16 1 1 A 12 12 SER HA H 12 4.500 4.943 -0.443 1
1 11 . 16 1 1 A 12 12 SER C C 12 175.000 175.217 -0.217 1
1 12 . 16 1 1 A 12 12 SER CA C 12 58.600 56.429 2.171 1
1 13 . 16 1 1 A 12 12 SER CB C 12 63.900 63.293 0.607 1
1 14 . 16 1 1 A 12 12 SER N N 12 118.300 117.390 0.910 1
1 15 . 16 1 1 A 13 13 GLY H H 13 8.560 8.459 0.101 1
1 16 . 16 1 1 A 13 13 GLY HA2 H 13 4.050 3.949 0.101 1
1 17 . 16 1 1 A 13 13 GLY HA3 H 13 4.050 3.956 0.094 1
1 18 . 16 1 1 A 13 13 GLY C C 13 174.300 174.768 -0.468 1
1 19 . 16 1 1 A 13 13 GLY CA C 13 45.400 45.563 -0.163 1
1 20 . 16 1 1 A 13 13 GLY N N 13 111.000 110.431 0.569 1
1 21 . 16 1 1 A 14 14 ARG H H 14 8.260 7.947 0.313 1
1 22 . 16 1 1 A 14 14 ARG HA H 14 4.320 4.402 -0.082 1
1 29 . 16 1 1 A 14 14 ARG C C 14 176.400 177.908 -1.508 1
1 30 . 16 1 1 A 14 14 ARG CA C 14 56.300 57.743 -1.443 1
1 31 . 16 1 1 A 14 14 ARG CB C 14 30.600 31.421 -0.821 1
1 34 . 16 1 1 A 14 14 ARG N N 14 120.400 119.008 1.392 1
1 35 . 16 1 1 A 15 15 GLU H H 15 8.660 8.209 0.451 1
1 36 . 16 1 1 A 15 15 GLU HA H 15 4.210 4.448 -0.238 1
1 41 . 16 1 1 A 15 15 GLU C C 15 176.200 177.919 -1.719 1
1 42 . 16 1 1 A 15 15 GLU CA C 15 57.200 57.817 -0.617 1
1 43 . 16 1 1 A 15 15 GLU CB C 15 29.700 30.256 -0.556 1
1 45 . 16 1 1 A 15 15 GLU N N 15 121.100 117.783 3.317 1
1 46 . 16 1 1 A 16 16 ASN H H 16 8.420 8.094 0.326 1
1 47 . 16 1 1 A 16 16 ASN HA H 16 4.680 4.530 0.150 1
1 52 . 16 1 1 A 16 16 ASN C C 16 175.100 175.578 -0.478 1
1 53 . 16 1 1 A 16 16 ASN CA C 16 53.300 53.724 -0.424 1
1 54 . 16 1 1 A 16 16 ASN CB C 16 38.700 36.979 1.721 1
1 55 . 16 1 1 A 16 16 ASN N N 16 118.900 117.572 1.328 1
1 57 . 16 1 1 A 17 17 LEU H H 17 8.110 7.741 0.369 1
1 58 . 16 1 1 A 17 17 LEU HA H 17 4.210 4.194 0.016 1
1 68 . 16 1 1 A 17 17 LEU C C 17 177.000 176.229 0.771 1
1 69 . 16 1 1 A 17 17 LEU CA C 17 55.600 55.346 0.254 1
1 70 . 16 1 1 A 17 17 LEU CB C 17 42.200 41.846 0.354 1
1 74 . 16 1 1 A 17 17 LEU N N 17 121.900 118.125 3.775 1
1 75 . 16 1 1 A 18 18 TYR H H 18 8.070 7.492 0.578 1
1 76 . 16 1 1 A 18 18 TYR HA H 18 4.530 4.686 -0.156 1
1 83 . 16 1 1 A 18 18 TYR C C 18 175.700 176.164 -0.464 1
1 84 . 16 1 1 A 18 18 TYR CA C 18 58.000 56.733 1.267 1
1 85 . 16 1 1 A 18 18 TYR CB C 18 38.700 40.259 -1.559 1
1 90 . 16 1 1 A 18 18 TYR N N 18 119.500 118.957 0.543 1
1 91 . 16 1 1 A 19 19 PHE H H 19 8.120 7.708 0.412 1
1 92 . 16 1 1 A 19 19 PHE HA H 19 4.560 4.565 -0.005 1
1 99 . 16 1 1 A 19 19 PHE C C 19 175.500 175.707 -0.207 1
1 100 . 16 1 1 A 19 19 PHE CA C 19 57.900 57.985 -0.085 1
1 101 . 16 1 1 A 19 19 PHE CB C 19 39.500 38.881 0.619 1
1 106 . 16 1 1 A 19 19 PHE N N 19 121.200 121.342 -0.142 1
1 107 . 16 1 1 A 20 20 GLN H H 20 8.300 7.704 0.596 1
1 108 . 16 1 1 A 20 20 GLN HA H 20 4.200 4.434 -0.234 1
1 115 . 16 1 1 A 20 20 GLN C C 20 176.000 176.469 -0.469 1
1 116 . 16 1 1 A 20 20 GLN CA C 20 56.100 56.370 -0.270 1
1 117 . 16 1 1 A 20 20 GLN CB C 20 29.100 29.315 -0.215 1
1 119 . 16 1 1 A 20 20 GLN N N 20 121.700 121.325 0.375 1
1 121 . 16 1 1 A 21 21 GLY H H 21 7.970 8.544 -0.574 1
1 122 . 16 1 1 A 21 21 GLY HA2 H 21 3.940 4.293 -0.353 1
1 123 . 16 1 1 A 21 21 GLY HA3 H 21 3.830 4.300 -0.470 1
1 124 . 16 1 1 A 21 21 GLY CA C 21 45.400 45.739 -0.339 1
1 125 . 16 1 1 A 21 21 GLY N N 21 108.500 111.553 -3.053 1
1 126 . 16 1 1 A 22 22 HIS H H 22 8.280 8.532 -0.252 1
1 127 . 16 1 1 A 22 22 HIS C C 22 174.000 174.724 -0.724 1
1 128 . 16 1 1 A 22 22 HIS CA C 22 56.000 54.734 1.266 1
1 129 . 16 1 1 A 22 22 HIS CB C 22 29.900 32.364 -2.464 1
1 130 . 16 1 1 A 22 22 HIS N N 22 118.700 120.458 -1.758 1
1 134 . 16 1 1 A 23 23 MET C C 23 175.900 176.271 -0.371 1
1 135 . 16 1 1 A 23 23 MET CB C 23 32.700 31.653 1.047 1
1 137 . 16 1 1 A 24 24 CYS H H 24 8.390 8.556 -0.166 1
1 138 . 16 1 1 A 24 24 CYS HA H 24 4.620 4.904 -0.284 1
1 141 . 16 1 1 A 24 24 CYS C C 24 175.400 174.966 0.434 1
1 142 . 16 1 1 A 24 24 CYS CA C 24 58.000 57.847 0.153 1
1 143 . 16 1 1 A 24 24 CYS CB C 24 27.900 32.255 -4.355 1
1 144 . 16 1 1 A 24 24 CYS N N 24 120.600 123.421 -2.821 1
1 145 . 16 1 1 A 25 25 ILE H H 25 8.550 8.665 -0.115 1
1 146 . 16 1 1 A 25 25 ILE HA H 25 4.010 3.872 0.138 1
1 156 . 16 1 1 A 25 25 ILE C C 25 176.200 177.010 -0.810 1
1 157 . 16 1 1 A 25 25 ILE CA C 25 63.400 64.122 -0.722 1
1 158 . 16 1 1 A 25 25 ILE CB C 25 38.100 37.811 0.289 1
1 162 . 16 1 1 A 25 25 ILE N N 25 124.600 126.940 -2.340 1
1 163 . 16 1 1 A 26 26 GLN H H 26 8.860 8.248 0.612 1
1 164 . 16 1 1 A 26 26 GLN HA H 26 3.340 3.733 -0.393 1
1 171 . 16 1 1 A 26 26 GLN C C 26 176.800 178.823 -2.023 1
1 172 . 16 1 1 A 26 26 GLN CA C 26 60.200 59.009 1.191 1
1 173 . 16 1 1 A 26 26 GLN CB C 26 27.800 28.114 -0.314 1
1 175 . 16 1 1 A 26 26 GLN N N 26 121.900 121.279 0.621 1
1 177 . 16 1 1 A 27 27 LYS H H 27 7.340 7.517 -0.177 1
1 178 . 16 1 1 A 27 27 LYS HA H 27 4.070 4.026 0.044 1
1 181 . 16 1 1 A 27 27 LYS C C 27 177.900 178.720 -0.820 1
1 182 . 16 1 1 A 27 27 LYS CA C 27 58.300 58.417 -0.117 1
1 183 . 16 1 1 A 27 27 LYS CB C 27 31.800 31.678 0.122 1
1 187 . 16 1 1 A 27 27 LYS N N 27 117.700 118.363 -0.663 1
1 188 . 16 1 1 A 28 28 VAL H H 28 7.570 7.619 -0.049 1
1 189 . 16 1 1 A 28 28 VAL HA H 28 3.680 3.599 0.081 1
1 197 . 16 1 1 A 28 28 VAL C C 28 178.600 178.490 0.110 1
1 198 . 16 1 1 A 28 28 VAL CA C 28 66.400 66.385 0.015 1
1 199 . 16 1 1 A 28 28 VAL CB C 28 31.800 31.633 0.167 1
1 202 . 16 1 1 A 28 28 VAL N N 28 119.900 119.664 0.236 1
1 203 . 16 1 1 A 29 29 ILE H H 29 8.180 7.936 0.244 1
1 204 . 16 1 1 A 29 29 ILE HA H 29 3.290 3.785 -0.495 1
1 212 . 16 1 1 A 29 29 ILE C C 29 177.500 178.041 -0.541 1
1 213 . 16 1 1 A 29 29 ILE CA C 29 65.900 65.602 0.298 1
1 214 . 16 1 1 A 29 29 ILE CB C 29 37.600 37.395 0.205 1
1 218 . 16 1 1 A 29 29 ILE N N 29 118.500 119.342 -0.842 1
1 219 . 16 1 1 A 30 30 GLU H H 30 8.370 8.424 -0.054 1
1 220 . 16 1 1 A 30 30 GLU HA H 30 3.610 3.784 -0.174 1
1 225 . 16 1 1 A 30 30 GLU C C 30 179.000 178.905 0.095 1
1 226 . 16 1 1 A 30 30 GLU CA C 30 60.400 59.851 0.549 1
1 227 . 16 1 1 A 30 30 GLU CB C 30 29.600 29.167 0.433 1
1 229 . 16 1 1 A 30 30 GLU N N 30 119.200 120.686 -1.486 1
1 230 . 16 1 1 A 31 31 ASP H H 31 8.710 8.516 0.194 1
1 231 . 16 1 1 A 31 31 ASP HA H 31 4.370 4.141 0.229 1
1 234 . 16 1 1 A 31 31 ASP CA C 31 57.600 56.489 1.111 1
1 235 . 16 1 1 A 31 31 ASP CB C 31 40.200 39.926 0.274 1
1 236 . 16 1 1 A 31 31 ASP N N 31 125.100 120.380 4.720 1
1 237 . 16 1 1 A 32 32 LYS H H 32 8.430 7.584 0.846 1
1 238 . 16 1 1 A 32 32 LYS HA H 32 4.030 4.018 0.012 1
1 243 . 16 1 1 A 32 32 LYS C C 32 180.300 179.537 0.763 1
1 244 . 16 1 1 A 32 32 LYS CA C 32 60.400 59.399 1.001 1
1 245 . 16 1 1 A 32 32 LYS CB C 32 33.100 32.012 1.088 1
1 248 . 16 1 1 A 32 32 LYS N N 32 120.700 121.255 -0.555 1
1 249 . 16 1 1 A 33 33 LEU H H 33 8.580 7.671 0.909 1
1 250 . 16 1 1 A 33 33 LEU HA H 33 4.000 4.078 -0.078 1
1 260 . 16 1 1 A 33 33 LEU C C 33 179.200 178.829 0.371 1
1 261 . 16 1 1 A 33 33 LEU CA C 33 58.000 57.575 0.425 1
1 262 . 16 1 1 A 33 33 LEU CB C 33 42.500 41.185 1.315 1
1 266 . 16 1 1 A 33 33 LEU N N 33 117.200 119.079 -1.879 1
1 267 . 16 1 1 A 34 34 SER H H 34 8.670 7.881 0.789 1
1 268 . 16 1 1 A 34 34 SER HA H 34 4.100 4.167 -0.067 1
1 271 . 16 1 1 A 34 34 SER C C 34 176.900 177.424 -0.524 1
1 272 . 16 1 1 A 34 34 SER CA C 34 62.500 61.386 1.114 1
1 273 . 16 1 1 A 34 34 SER CB C 34 62.500 62.720 -0.220 1
1 274 . 16 1 1 A 34 34 SER N N 34 115.500 115.695 -0.195 1
1 275 . 16 1 1 A 35 35 SER H H 35 8.080 7.916 0.164 1
1 276 . 16 1 1 A 35 35 SER HA H 35 4.200 4.088 0.112 1
1 279 . 16 1 1 A 35 35 SER C C 35 175.900 176.452 -0.552 1
1 280 . 16 1 1 A 35 35 SER CA C 35 60.900 61.610 -0.710 1
1 281 . 16 1 1 A 35 35 SER CB C 35 62.900 63.139 -0.239 1
1 282 . 16 1 1 A 35 35 SER N N 35 115.300 116.928 -1.628 1
1 283 . 16 1 1 A 36 36 ALA H H 36 7.570 7.815 -0.245 1
1 284 . 16 1 1 A 36 36 ALA HA H 36 4.340 4.116 0.224 1
1 288 . 16 1 1 A 36 36 ALA C C 36 179.200 180.228 -1.028 1
1 289 . 16 1 1 A 36 36 ALA CA C 36 54.300 54.908 -0.608 1
1 290 . 16 1 1 A 36 36 ALA CB C 36 20.900 18.632 2.268 1
1 291 . 16 1 1 A 36 36 ALA N N 36 119.000 123.632 -4.632 1
1 292 . 16 1 1 A 37 37 LEU H H 37 7.960 7.891 0.069 1
1 293 . 16 1 1 A 37 37 LEU HA H 37 4.530 4.220 0.310 1
1 303 . 16 1 1 A 37 37 LEU CA C 37 53.500 56.235 -2.735 1
1 304 . 16 1 1 A 37 37 LEU CB C 37 42.600 42.552 0.048 1
1 308 . 16 1 1 A 37 37 LEU N N 37 111.800 116.536 -4.736 1
1 309 . 16 1 1 A 38 38 LYS H H 38 7.600 7.653 -0.053 1
1 310 . 16 1 1 A 38 38 LYS HA H 38 4.250 4.613 -0.363 1
1 313 . 16 1 1 A 38 38 LYS CA C 38 56.200 57.186 -0.986 1
1 314 . 16 1 1 A 38 38 LYS CB C 38 30.800 31.033 -0.233 1
1 315 . 16 1 1 A 38 38 LYS N N 38 117.200 119.420 -2.220 1
1 316 . 16 1 1 A 39 39 PRO HA H 39 4.670 4.616 0.054 1
1 323 . 16 1 1 A 39 39 PRO C C 39 178.100 177.096 1.004 1
1 324 . 16 1 1 A 39 39 PRO CA C 39 63.300 62.103 1.197 1
1 325 . 16 1 1 A 39 39 PRO CB C 39 32.700 32.375 0.325 1
1 328 . 16 1 1 A 40 40 THR H H 40 8.500 8.462 0.038 1
1 329 . 16 1 1 A 40 40 THR HA H 40 4.290 4.292 -0.002 1
1 334 . 16 1 1 A 40 40 THR C C 40 175.700 174.622 1.078 1
1 335 . 16 1 1 A 40 40 THR CA C 40 63.200 63.046 0.154 1
1 336 . 16 1 1 A 40 40 THR CB C 40 67.600 69.195 -1.595 1
1 338 . 16 1 1 A 40 40 THR N N 40 114.500 110.810 3.690 1
1 339 . 16 1 1 A 41 41 PHE H H 41 7.300 7.542 -0.242 1
1 340 . 16 1 1 A 41 41 PHE HA H 41 4.510 4.720 -0.210 1
1 347 . 16 1 1 A 41 41 PHE C C 41 171.500 173.069 -1.569 1
1 348 . 16 1 1 A 41 41 PHE CA C 41 58.800 56.821 1.979 1
1 349 . 16 1 1 A 41 41 PHE CB C 41 41.000 42.000 -1.000 1
1 354 . 16 1 1 A 41 41 PHE N N 41 121.100 121.559 -0.459 1
1 355 . 16 1 1 A 42 42 LEU H H 42 7.530 8.392 -0.862 1
1 356 . 16 1 1 A 42 42 LEU HA H 42 4.910 5.242 -0.332 1
1 366 . 16 1 1 A 42 42 LEU C C 42 173.700 174.299 -0.599 1
1 367 . 16 1 1 A 42 42 LEU CA C 42 53.500 54.047 -0.547 1
1 368 . 16 1 1 A 42 42 LEU CB C 42 45.300 46.108 -0.808 1
1 372 . 16 1 1 A 42 42 LEU N N 42 129.100 128.620 0.480 1
1 373 . 16 1 1 A 43 43 GLU H H 43 8.690 8.232 0.458 1
1 374 . 16 1 1 A 43 43 GLU HA H 43 4.400 4.587 -0.187 1
1 379 . 16 1 1 A 43 43 GLU C C 43 173.500 174.281 -0.781 1
1 380 . 16 1 1 A 43 43 GLU CA C 43 55.800 55.165 0.635 1
1 381 . 16 1 1 A 43 43 GLU CB C 43 34.100 33.898 0.202 1
1 383 . 16 1 1 A 43 43 GLU N N 43 126.900 124.600 2.300 1
1 384 . 16 1 1 A 44 44 LEU H H 44 9.000 8.692 0.308 1
1 385 . 16 1 1 A 44 44 LEU HA H 44 5.130 4.774 0.356 1
1 395 . 16 1 1 A 44 44 LEU C C 44 175.100 175.948 -0.848 1
1 396 . 16 1 1 A 44 44 LEU CA C 44 53.700 53.572 0.128 1
1 397 . 16 1 1 A 44 44 LEU CB C 44 44.600 42.521 2.079 1
1 401 . 16 1 1 A 44 44 LEU N N 44 129.900 127.965 1.935 1
1 402 . 16 1 1 A 45 45 VAL H H 45 9.000 9.357 -0.357 1
1 403 . 16 1 1 A 45 45 VAL HA H 45 4.370 4.254 0.116 1
1 411 . 16 1 1 A 45 45 VAL C C 45 175.100 174.888 0.212 1
1 412 . 16 1 1 A 45 45 VAL CA C 45 61.200 60.884 0.316 1
1 413 . 16 1 1 A 45 45 VAL CB C 45 35.400 33.881 1.519 1
1 416 . 16 1 1 A 45 45 VAL N N 45 122.300 124.966 -2.666 1
1 417 . 16 1 1 A 46 46 ASP H H 46 9.080 8.676 0.404 1
1 418 . 16 1 1 A 46 46 ASP HA H 46 4.530 4.752 -0.222 1
1 421 . 16 1 1 A 46 46 ASP C C 46 176.900 175.672 1.228 1
1 422 . 16 1 1 A 46 46 ASP CA C 46 53.900 54.060 -0.160 1
1 423 . 16 1 1 A 46 46 ASP CB C 46 40.600 41.046 -0.446 1
1 424 . 16 1 1 A 46 46 ASP N N 46 127.400 127.013 0.387 1
1 425 . 16 1 1 A 47 47 LYS H H 47 8.490 8.796 -0.306 1
1 426 . 16 1 1 A 47 47 LYS HA H 47 4.560 4.440 0.120 1
1 427 . 16 1 1 A 47 47 LYS CA C 47 54.200 55.197 -0.997 1
1 428 . 16 1 1 A 47 47 LYS CB C 47 30.400 31.217 -0.817 1
1 429 . 16 1 1 A 47 47 LYS N N 47 129.500 128.433 1.067 1
1 430 . 16 1 1 A 54 54 SER HA H 54 5.550 5.682 -0.132 1
1 433 . 16 1 1 A 54 54 SER C C 54 172.900 172.512 0.388 1
1 434 . 16 1 1 A 54 54 SER CA C 54 57.300 56.830 0.470 1
1 435 . 16 1 1 A 54 54 SER CB C 54 65.800 65.890 -0.090 1
1 436 . 16 1 1 A 55 55 PHE H H 55 8.340 8.865 -0.525 1
1 437 . 16 1 1 A 55 55 PHE HA H 55 5.700 5.178 0.522 1
1 442 . 16 1 1 A 55 55 PHE C C 55 174.400 173.527 0.873 1
1 443 . 16 1 1 A 55 55 PHE CA C 55 56.700 56.094 0.606 1
1 444 . 16 1 1 A 55 55 PHE CB C 55 45.300 43.801 1.499 1
1 447 . 16 1 1 A 55 55 PHE N N 55 119.600 120.756 -1.156 1
1 448 . 16 1 1 A 56 56 ASP H H 56 8.840 8.699 0.141 1
1 449 . 16 1 1 A 56 56 ASP HA H 56 5.350 5.453 -0.103 1
1 452 . 16 1 1 A 56 56 ASP C C 56 174.400 174.097 0.303 1
1 453 . 16 1 1 A 56 56 ASP CA C 56 52.900 52.453 0.447 1
1 454 . 16 1 1 A 56 56 ASP CB C 56 43.700 43.364 0.336 1
1 455 . 16 1 1 A 56 56 ASP N N 56 121.500 123.184 -1.684 1
1 456 . 16 1 1 A 57 57 ALA H H 57 8.780 8.708 0.072 1
1 457 . 16 1 1 A 57 57 ALA HA H 57 5.620 5.158 0.462 1
1 461 . 16 1 1 A 57 57 ALA C C 57 176.400 176.205 0.195 1
1 462 . 16 1 1 A 57 57 ALA CA C 57 50.200 50.125 0.075 1
1 463 . 16 1 1 A 57 57 ALA CB C 57 23.600 20.726 2.874 1
1 464 . 16 1 1 A 57 57 ALA N N 57 125.000 129.167 -4.167 1
1 465 . 16 1 1 A 58 58 VAL H H 58 9.080 8.611 0.469 1
1 466 . 16 1 1 A 58 58 VAL HA H 58 4.580 4.245 0.335 1
1 474 . 16 1 1 A 58 58 VAL C C 58 175.000 174.585 0.415 1
1 475 . 16 1 1 A 58 58 VAL CA C 58 62.800 62.932 -0.132 1
1 476 . 16 1 1 A 58 58 VAL CB C 58 34.100 31.257 2.843 1
1 479 . 16 1 1 A 58 58 VAL N N 58 125.100 122.852 2.248 1
1 480 . 16 1 1 A 59 59 ILE H H 59 8.750 9.146 -0.396 1
1 481 . 16 1 1 A 59 59 ILE HA H 59 4.430 5.047 -0.617 1
1 489 . 16 1 1 A 59 59 ILE C C 59 173.900 173.922 -0.022 1
1 490 . 16 1 1 A 59 59 ILE CA C 59 60.900 59.970 0.930 1
1 491 . 16 1 1 A 59 59 ILE CB C 59 41.100 40.697 0.403 1
1 495 . 16 1 1 A 59 59 ILE N N 59 125.000 129.476 -4.476 1
1 496 . 16 1 1 A 60 60 VAL H H 60 8.540 9.360 -0.820 1
1 497 . 16 1 1 A 60 60 VAL HA H 60 5.540 5.404 0.136 1
1 505 . 16 1 1 A 60 60 VAL C C 60 175.900 174.822 1.078 1
1 506 . 16 1 1 A 60 60 VAL CA C 60 60.200 61.085 -0.885 1
1 507 . 16 1 1 A 60 60 VAL CB C 60 31.800 32.311 -0.511 1
1 510 . 16 1 1 A 60 60 VAL N N 60 128.600 131.823 -3.223 1
1 511 . 16 1 1 A 61 61 SER H H 61 8.720 8.631 0.089 1
1 512 . 16 1 1 A 61 61 SER HA H 61 5.000 5.125 -0.125 1
1 515 . 16 1 1 A 61 61 SER C C 61 175.700 174.007 1.693 1
1 516 . 16 1 1 A 61 61 SER CA C 61 56.500 56.562 -0.062 1
1 517 . 16 1 1 A 61 61 SER CB C 61 64.400 65.330 -0.930 1
1 518 . 16 1 1 A 61 61 SER N N 61 115.900 121.487 -5.587 1
1 519 . 16 1 1 A 62 62 ASN H H 62 9.650 9.160 0.490 1
1 520 . 16 1 1 A 62 62 ASN HA H 62 4.670 4.535 0.135 1
1 525 . 16 1 1 A 62 62 ASN CA C 62 56.500 55.654 0.846 1
1 526 . 16 1 1 A 62 62 ASN CB C 62 38.600 38.090 0.510 1
1 528 . 16 1 1 A 62 62 ASN N N 62 129.400 124.834 4.566 1
1 530 . 16 1 1 A 63 63 ASN H H 63 8.920 8.761 0.159 1
1 531 . 16 1 1 A 63 63 ASN HA H 63 4.490 4.518 -0.028 1
1 536 . 16 1 1 A 63 63 ASN C C 63 175.200 177.683 -2.483 1
1 537 . 16 1 1 A 63 63 ASN CA C 63 55.700 55.578 0.122 1
1 538 . 16 1 1 A 63 63 ASN CB C 63 37.600 37.430 0.170 1
1 539 . 16 1 1 A 63 63 ASN N N 63 119.500 115.414 4.086 1
1 541 . 16 1 1 A 64 64 PHE H H 64 6.950 7.851 -0.901 1
1 542 . 16 1 1 A 64 64 PHE HA H 64 4.690 4.244 0.446 1
1 545 . 16 1 1 A 64 64 PHE C C 64 174.200 177.473 -3.273 1
1 546 . 16 1 1 A 64 64 PHE CA C 64 54.900 59.837 -4.937 1
1 547 . 16 1 1 A 64 64 PHE CB C 64 37.500 39.942 -2.442 1
1 548 . 16 1 1 A 64 64 PHE N N 64 113.700 121.211 -7.511 1
1 549 . 16 1 1 A 65 65 GLU H H 65 7.470 8.295 -0.825 1
1 550 . 16 1 1 A 65 65 GLU HA H 65 4.010 4.030 -0.020 1
1 555 . 16 1 1 A 65 65 GLU C C 65 174.800 178.417 -3.617 1
1 556 . 16 1 1 A 65 65 GLU CA C 65 58.400 58.383 0.017 1
1 557 . 16 1 1 A 65 65 GLU CB C 65 29.700 29.750 -0.050 1
1 559 . 16 1 1 A 65 65 GLU N N 65 120.500 119.342 1.158 1
1 560 . 16 1 1 A 66 66 ASP H H 66 9.010 7.475 1.535 1
1 561 . 16 1 1 A 66 66 ASP HA H 66 4.390 4.560 -0.170 1
1 564 . 16 1 1 A 66 66 ASP C C 66 175.000 175.774 -0.774 1
1 565 . 16 1 1 A 66 66 ASP CA C 66 55.800 55.778 0.022 1
1 566 . 16 1 1 A 66 66 ASP CB C 66 39.800 41.294 -1.494 1
1 567 . 16 1 1 A 66 66 ASP N N 66 119.200 119.922 -0.722 1
1 568 . 16 1 1 A 67 67 LYS H H 67 7.800 7.699 0.101 1
1 569 . 16 1 1 A 67 67 LYS C C 67 177.400 175.660 1.740 1
1 570 . 16 1 1 A 67 67 LYS CA C 67 54.700 58.000 -3.300 1
1 571 . 16 1 1 A 67 67 LYS CB C 67 38.400 30.159 8.241 1
1 575 . 16 1 1 A 67 67 LYS N N 67 117.200 117.275 -0.075 1
1 576 . 16 1 1 A 68 68 LYS H H 68 9.340 7.788 1.552 1
1 577 . 16 1 1 A 68 68 LYS HA H 68 4.400 4.408 -0.008 1
1 586 . 16 1 1 A 68 68 LYS C C 68 177.500 177.694 -0.194 1
1 587 . 16 1 1 A 68 68 LYS CA C 68 55.900 55.357 0.543 1
1 588 . 16 1 1 A 68 68 LYS CB C 68 32.700 31.238 1.462 1
1 592 . 16 1 1 A 68 68 LYS N N 68 125.800 121.000 4.800 1
1 593 . 16 1 1 A 69 69 LEU H H 69 8.710 8.380 0.330 1
1 594 . 16 1 1 A 69 69 LEU HA H 69 3.630 3.957 -0.327 1
1 603 . 16 1 1 A 69 69 LEU C C 69 178.400 178.720 -0.320 1
1 604 . 16 1 1 A 69 69 LEU CA C 69 60.300 57.936 2.364 1
1 605 . 16 1 1 A 69 69 LEU CB C 69 41.600 41.267 0.333 1
1 608 . 16 1 1 A 69 69 LEU N N 69 124.300 124.594 -0.294 1
1 609 . 16 1 1 A 70 70 LEU H H 70 8.700 8.105 0.595 1
1 610 . 16 1 1 A 70 70 LEU HA H 70 3.930 4.007 -0.077 1
1 620 . 16 1 1 A 70 70 LEU C C 70 179.400 178.938 0.462 1
1 621 . 16 1 1 A 70 70 LEU CA C 70 58.200 58.184 0.016 1
1 622 . 16 1 1 A 70 70 LEU CB C 70 41.700 41.091 0.609 1
1 626 . 16 1 1 A 70 70 LEU N N 70 116.100 118.966 -2.866 1
1 627 . 16 1 1 A 71 71 ASP H H 71 7.130 8.138 -1.008 1
1 628 . 16 1 1 A 71 71 ASP HA H 71 4.660 4.380 0.280 1
1 631 . 16 1 1 A 71 71 ASP C C 71 179.000 178.955 0.045 1
1 632 . 16 1 1 A 71 71 ASP CA C 71 57.100 57.152 -0.052 1
1 633 . 16 1 1 A 71 71 ASP CB C 71 40.800 40.554 0.246 1
1 634 . 16 1 1 A 71 71 ASP N N 71 117.600 119.999 -2.399 1
1 635 . 16 1 1 A 72 72 ARG H H 72 8.190 7.983 0.207 1
1 636 . 16 1 1 A 72 72 ARG HA H 72 3.930 3.954 -0.024 1
1 637 . 16 1 1 A 72 72 ARG C C 72 177.000 178.453 -1.453 1
1 638 . 16 1 1 A 72 72 ARG CA C 72 60.100 59.219 0.881 1
1 639 . 16 1 1 A 72 72 ARG CB C 72 29.300 29.922 -0.622 1
1 642 . 16 1 1 A 72 72 ARG N N 72 122.200 120.958 1.242 1
1 643 . 16 1 1 A 73 73 HIS H H 73 8.030 8.318 -0.288 1
1 644 . 16 1 1 A 73 73 HIS HA H 73 4.100 4.278 -0.178 1
1 648 . 16 1 1 A 73 73 HIS C C 73 177.300 177.135 0.165 1
1 649 . 16 1 1 A 73 73 HIS CA C 73 58.100 59.829 -1.729 1
1 650 . 16 1 1 A 73 73 HIS CB C 73 30.200 29.831 0.369 1
1 652 . 16 1 1 A 73 73 HIS N N 73 116.800 119.214 -2.414 1
1 653 . 16 1 1 A 74 74 ARG H H 74 8.290 8.442 -0.152 1
1 654 . 16 1 1 A 74 74 ARG HA H 74 4.080 4.050 0.030 1
1 661 . 16 1 1 A 74 74 ARG C C 74 178.700 178.782 -0.082 1
1 662 . 16 1 1 A 74 74 ARG CA C 74 59.700 58.968 0.732 1
1 663 . 16 1 1 A 74 74 ARG CB C 74 30.400 29.961 0.439 1
1 666 . 16 1 1 A 74 74 ARG N N 74 118.200 118.621 -0.421 1
1 667 . 16 1 1 A 75 75 LEU H H 75 7.740 8.349 -0.609 1
1 668 . 16 1 1 A 75 75 LEU HA H 75 4.270 4.064 0.206 1
1 678 . 16 1 1 A 75 75 LEU CA C 75 58.300 58.196 0.104 1
1 679 . 16 1 1 A 75 75 LEU CB C 75 42.000 42.059 -0.059 1
1 683 . 16 1 1 A 75 75 LEU N N 75 121.200 121.379 -0.179 1
1 684 . 16 1 1 A 76 76 VAL H H 76 7.590 7.836 -0.246 1
1 685 . 16 1 1 A 76 76 VAL HA H 76 3.360 3.482 -0.122 1
1 693 . 16 1 1 A 76 76 VAL C C 76 176.800 177.288 -0.488 1
1 694 . 16 1 1 A 76 76 VAL CA C 76 67.500 66.945 0.555 1
1 695 . 16 1 1 A 76 76 VAL CB C 76 31.500 31.095 0.405 1
1 698 . 16 1 1 A 76 76 VAL N N 76 119.300 117.812 1.488 1
1 699 . 16 1 1 A 77 77 ASN H H 77 8.690 8.252 0.438 1
1 700 . 16 1 1 A 77 77 ASN HA H 77 4.190 4.428 -0.238 1
1 705 . 16 1 1 A 77 77 ASN C C 77 178.000 178.311 -0.311 1
1 706 . 16 1 1 A 77 77 ASN CA C 77 55.400 56.229 -0.829 1
1 707 . 16 1 1 A 77 77 ASN CB C 77 37.600 37.571 0.029 1
1 708 . 16 1 1 A 77 77 ASN N N 77 117.100 119.596 -2.496 1
1 710 . 16 1 1 A 78 78 THR H H 78 8.050 8.130 -0.080 1
1 711 . 16 1 1 A 78 78 THR HA H 78 3.970 3.959 0.011 1
1 716 . 16 1 1 A 78 78 THR C C 78 176.900 176.481 0.419 1
1 717 . 16 1 1 A 78 78 THR CA C 78 66.700 67.256 -0.556 1
1 718 . 16 1 1 A 78 78 THR CB C 78 68.800 68.629 0.171 1
1 720 . 16 1 1 A 78 78 THR N N 78 116.300 117.578 -1.278 1
1 721 . 16 1 1 A 79 79 ILE H H 79 8.020 7.521 0.499 1
1 722 . 16 1 1 A 79 79 ILE HA H 79 3.670 3.842 -0.172 1
1 730 . 16 1 1 A 79 79 ILE CA C 79 65.000 64.151 0.849 1
1 731 . 16 1 1 A 79 79 ILE CB C 79 38.500 38.053 0.447 1
1 734 . 16 1 1 A 79 79 ILE N N 79 124.800 120.766 4.034 1
1 735 . 16 1 1 A 80 80 LEU H H 80 7.770 8.231 -0.461 1
1 745 . 16 1 1 A 80 80 LEU C C 80 176.000 178.619 -2.619 1
1 746 . 16 1 1 A 80 80 LEU CA C 80 52.900 55.361 -2.461 1
1 747 . 16 1 1 A 80 80 LEU CB C 80 41.100 41.561 -0.461 1
1 751 . 16 1 1 A 80 80 LEU N N 80 115.200 119.400 -4.200 1
1 752 . 16 1 1 A 81 81 LYS H H 81 6.880 7.763 -0.883 1
1 753 . 16 1 1 A 81 81 LYS HA H 81 3.820 3.874 -0.054 1
1 762 . 16 1 1 A 81 81 LYS C C 81 178.400 179.029 -0.629 1
1 763 . 16 1 1 A 81 81 LYS CA C 81 60.700 59.754 0.946 1
1 764 . 16 1 1 A 81 81 LYS CB C 81 32.800 32.431 0.369 1
1 768 . 16 1 1 A 81 81 LYS N N 81 120.300 121.137 -0.837 1
1 769 . 16 1 1 A 82 82 GLU H H 82 8.620 8.450 0.170 1
1 770 . 16 1 1 A 82 82 GLU HA H 82 4.020 4.042 -0.022 1
1 773 . 16 1 1 A 82 82 GLU C C 82 178.500 178.815 -0.315 1
1 774 . 16 1 1 A 82 82 GLU CA C 82 59.000 59.330 -0.330 1
1 775 . 16 1 1 A 82 82 GLU CB C 82 28.700 29.082 -0.382 1
1 777 . 16 1 1 A 82 82 GLU N N 82 116.700 117.475 -0.775 1
1 778 . 16 1 1 A 83 83 GLU H H 83 8.070 7.801 0.269 1
1 779 . 16 1 1 A 83 83 GLU HA H 83 3.980 3.944 0.036 1
1 784 . 16 1 1 A 83 83 GLU C C 83 179.300 178.853 0.447 1
1 785 . 16 1 1 A 83 83 GLU CA C 83 60.900 59.221 1.679 1
1 786 . 16 1 1 A 83 83 GLU CB C 83 28.900 29.496 -0.596 1
1 788 . 16 1 1 A 83 83 GLU N N 83 120.300 119.883 0.417 1
1 789 . 16 1 1 A 84 84 LEU H H 84 8.480 8.283 0.197 1
1 790 . 16 1 1 A 84 84 LEU HA H 84 3.910 3.948 -0.038 1
1 800 . 16 1 1 A 84 84 LEU C C 84 178.200 179.266 -1.066 1
1 801 . 16 1 1 A 84 84 LEU CA C 84 57.000 58.080 -1.080 1
1 802 . 16 1 1 A 84 84 LEU CB C 84 40.800 41.370 -0.570 1
1 806 . 16 1 1 A 84 84 LEU N N 84 116.700 120.117 -3.417 1
1 807 . 16 1 1 A 85 85 GLN H H 85 7.130 7.736 -0.606 1
1 808 . 16 1 1 A 85 85 GLN HA H 85 4.140 4.044 0.096 1
1 815 . 16 1 1 A 85 85 GLN C C 85 176.300 177.336 -1.036 1
1 816 . 16 1 1 A 85 85 GLN CA C 85 57.900 58.663 -0.763 1
1 817 . 16 1 1 A 85 85 GLN CB C 85 28.900 28.316 0.584 1
1 819 . 16 1 1 A 85 85 GLN N N 85 115.400 116.661 -1.261 1
1 821 . 16 1 1 A 86 86 ASN H H 86 7.630 8.011 -0.381 1
1 822 . 16 1 1 A 86 86 ASN HA H 86 5.020 4.810 0.210 1
1 827 . 16 1 1 A 86 86 ASN C C 86 174.100 175.322 -1.222 1
1 828 . 16 1 1 A 86 86 ASN CA C 86 52.800 54.019 -1.219 1
1 829 . 16 1 1 A 86 86 ASN CB C 86 40.400 39.367 1.033 1
1 830 . 16 1 1 A 86 86 ASN N N 86 114.000 115.809 -1.809 1
1 832 . 16 1 1 A 87 87 ILE H H 87 7.300 7.791 -0.491 1
1 833 . 16 1 1 A 87 87 ILE HA H 87 4.320 4.730 -0.410 1
1 843 . 16 1 1 A 87 87 ILE C C 87 174.500 176.312 -1.812 1
1 844 . 16 1 1 A 87 87 ILE CA C 87 60.400 59.438 0.962 1
1 845 . 16 1 1 A 87 87 ILE CB C 87 40.600 40.885 -0.285 1
1 849 . 16 1 1 A 87 87 ILE N N 87 119.300 119.435 -0.135 1
1 850 . 16 1 1 A 88 88 HIS H H 88 9.140 8.899 0.241 1
1 851 . 16 1 1 A 88 88 HIS HA H 88 4.680 4.542 0.138 1
1 855 . 16 1 1 A 88 88 HIS CA C 88 57.300 58.038 -0.738 1
1 856 . 16 1 1 A 88 88 HIS CB C 88 30.200 31.614 -1.414 1
1 858 . 16 1 1 A 88 88 HIS N N 88 125.000 124.794 0.206 1
1 859 . 16 1 1 A 89 89 ALA H H 89 7.600 7.831 -0.231 1
1 860 . 16 1 1 A 89 89 ALA HA H 89 4.620 4.642 -0.022 1
1 864 . 16 1 1 A 89 89 ALA C C 89 174.300 175.502 -1.202 1
1 865 . 16 1 1 A 89 89 ALA CA C 89 52.300 51.521 0.779 1
1 866 . 16 1 1 A 89 89 ALA CB C 89 21.300 20.691 0.609 1
1 867 . 16 1 1 A 89 89 ALA N N 89 120.100 119.067 1.033 1
1 868 . 16 1 1 A 90 90 PHE H H 90 8.830 9.282 -0.452 1
1 869 . 16 1 1 A 90 90 PHE HA H 90 5.220 5.641 -0.421 1
1 877 . 16 1 1 A 90 90 PHE C C 90 173.700 173.921 -0.221 1
1 878 . 16 1 1 A 90 90 PHE CA C 90 57.200 56.371 0.829 1
1 879 . 16 1 1 A 90 90 PHE CB C 90 42.000 42.344 -0.344 1
1 885 . 16 1 1 A 90 90 PHE N N 90 126.100 126.660 -0.560 1
1 886 . 16 1 1 A 91 91 SER H H 91 8.320 8.795 -0.475 1
1 887 . 16 1 1 A 91 91 SER HA H 91 4.730 4.934 -0.204 1
1 891 . 16 1 1 A 91 91 SER C C 91 172.600 173.107 -0.507 1
1 892 . 16 1 1 A 91 91 SER CA C 91 56.500 55.723 0.777 1
1 893 . 16 1 1 A 91 91 SER CB C 91 64.100 66.094 -1.994 1
1 894 . 16 1 1 A 91 91 SER N N 91 123.100 121.040 2.060 1
1 895 . 16 1 1 A 92 92 MET H H 92 8.660 8.856 -0.196 1
1 896 . 16 1 1 A 92 92 MET HA H 92 5.490 5.255 0.235 1
1 901 . 16 1 1 A 92 92 MET C C 92 174.300 174.060 0.240 1
1 902 . 16 1 1 A 92 92 MET CA C 92 53.600 53.536 0.064 1
1 903 . 16 1 1 A 92 92 MET CB C 92 37.500 35.339 2.161 1
1 906 . 16 1 1 A 92 92 MET N N 92 119.600 118.303 1.297 1
1 907 . 16 1 1 A 93 93 LYS H H 93 8.190 8.815 -0.625 1
1 908 . 16 1 1 A 93 93 LYS HA H 93 4.450 4.746 -0.296 1
1 917 . 16 1 1 A 93 93 LYS C C 93 174.400 175.174 -0.774 1
1 918 . 16 1 1 A 93 93 LYS CA C 93 55.400 55.117 0.283 1
1 919 . 16 1 1 A 93 93 LYS CB C 93 34.700 33.136 1.564 1
1 923 . 16 1 1 A 93 93 LYS N N 93 122.700 120.692 2.008 1
1 924 . 16 1 1 A 94 94 CYS H H 94 8.340 8.709 -0.369 1
1 925 . 16 1 1 A 94 94 CYS HA H 94 4.960 4.864 0.096 1
1 928 . 16 1 1 A 94 94 CYS C C 94 173.600 173.826 -0.226 1
1 929 . 16 1 1 A 94 94 CYS CA C 94 56.600 57.575 -0.975 1
1 930 . 16 1 1 A 94 94 CYS CB C 94 29.800 28.479 1.321 1
1 931 . 16 1 1 A 94 94 CYS N N 94 120.300 124.944 -4.644 1
1 932 . 16 1 1 A 95 95 HIS H H 95 9.040 8.842 0.198 1
1 933 . 16 1 1 A 95 95 HIS HA H 95 5.440 4.915 0.525 1
1 936 . 16 1 1 A 95 95 HIS C C 95 175.700 174.802 0.898 1
1 937 . 16 1 1 A 95 95 HIS CA C 95 53.600 54.706 -1.106 1
1 938 . 16 1 1 A 95 95 HIS CB C 95 35.300 33.565 1.735 1
1 939 . 16 1 1 A 95 95 HIS N N 95 122.000 121.770 0.230 1
1 940 . 16 1 1 A 96 96 THR H H 96 8.910 8.674 0.236 1
1 941 . 16 1 1 A 96 96 THR HA H 96 5.150 5.048 0.102 1
1 945 . 16 1 1 A 96 96 THR CA C 96 60.100 59.463 0.637 1
1 946 . 16 1 1 A 96 96 THR CB C 96 67.600 69.561 -1.961 1
1 948 . 16 1 1 A 96 96 THR N N 96 113.600 113.691 -0.091 1
1 949 . 16 1 1 A 97 97 PRO HA H 97 4.060 4.560 -0.500 1
1 956 . 16 1 1 A 97 97 PRO C C 97 178.600 177.712 0.888 1
1 957 . 16 1 1 A 97 97 PRO CA C 97 66.600 64.884 1.716 1
1 958 . 16 1 1 A 97 97 PRO CB C 97 31.600 32.022 -0.422 1
1 961 . 16 1 1 A 98 98 LEU H H 98 8.410 7.783 0.627 1
1 962 . 16 1 1 A 98 98 LEU HA H 98 4.230 4.085 0.145 1
1 971 . 16 1 1 A 98 98 LEU C C 98 179.800 178.057 1.743 1
1 972 . 16 1 1 A 98 98 LEU CA C 98 58.200 57.451 0.749 1
1 973 . 16 1 1 A 98 98 LEU CB C 98 42.000 41.781 0.219 1
1 976 . 16 1 1 A 98 98 LEU N N 98 118.300 118.076 0.224 1
1 977 . 16 1 1 A 99 99 GLU H H 99 7.660 7.943 -0.283 1
1 978 . 16 1 1 A 99 99 GLU HA H 99 3.900 4.058 -0.158 1
1 983 . 16 1 1 A 99 99 GLU C C 99 180.200 178.776 1.424 1
1 984 . 16 1 1 A 99 99 GLU CA C 99 58.400 58.948 -0.548 1
1 985 . 16 1 1 A 99 99 GLU CB C 99 30.400 29.037 1.363 1
1 987 . 16 1 1 A 99 99 GLU N N 99 118.100 118.976 -0.876 1
1 988 . 16 1 1 A 100 100 TYR H H 100 8.770 8.554 0.216 1
1 989 . 16 1 1 A 100 100 TYR HA H 100 3.860 4.207 -0.347 1
1 996 . 16 1 1 A 100 100 TYR C C 100 176.800 177.485 -0.685 1
1 997 . 16 1 1 A 100 100 TYR CA C 100 60.800 61.290 -0.490 1
1 998 . 16 1 1 A 100 100 TYR CB C 100 39.200 38.562 0.638 1
1 1003 . 16 1 1 A 100 100 TYR N N 100 120.100 121.305 -1.205 1
1 1004 . 16 1 1 A 101 101 ASP H H 101 8.100 8.035 0.065 1
1 1005 . 16 1 1 A 101 101 ASP HA H 101 4.180 4.224 -0.044 1
1 1008 . 16 1 1 A 101 101 ASP C C 101 178.700 178.276 0.424 1
1 1009 . 16 1 1 A 101 101 ASP CA C 101 57.300 57.510 -0.210 1
1 1010 . 16 1 1 A 101 101 ASP CB C 101 40.800 42.032 -1.232 1
1 1011 . 16 1 1 A 101 101 ASP N N 101 118.400 118.972 -0.572 1
1 1012 . 16 1 1 A 102 102 LYS H H 102 7.480 7.908 -0.428 1
1 1013 . 16 1 1 A 102 102 LYS HA H 102 4.070 4.063 0.007 1
1 1020 . 16 1 1 A 102 102 LYS CA C 102 58.300 59.018 -0.718 1
1 1021 . 16 1 1 A 102 102 LYS CB C 102 32.300 32.326 -0.026 1
1 1024 . 16 1 1 A 102 102 LYS N N 102 117.500 119.081 -1.581 1
1 1025 . 16 1 1 A 103 103 LEU H H 103 7.580 7.685 -0.105 1
1 1026 . 16 1 1 A 103 103 LEU HA H 103 4.050 4.081 -0.031 1
1 1036 . 16 1 1 A 103 103 LEU C C 103 178.700 179.074 -0.374 1
1 1037 . 16 1 1 A 103 103 LEU CA C 103 56.800 56.674 0.126 1
1 1038 . 16 1 1 A 103 103 LEU CB C 103 42.000 41.483 0.517 1
1 1042 . 16 1 1 A 103 103 LEU N N 103 120.100 119.850 0.250 1
1 1043 . 16 1 1 A 104 104 LYS H H 104 7.730 8.022 -0.292 1
1 1044 . 16 1 1 A 104 104 LYS HA H 104 3.960 3.778 0.182 1
1 1053 . 16 1 1 A 104 104 LYS CA C 104 56.700 58.696 -1.996 1
1 1054 . 16 1 1 A 104 104 LYS CB C 104 31.700 31.539 0.161 1
1 1058 . 16 1 1 A 104 104 LYS N N 104 118.500 118.541 -0.041 1
1 1059 . 16 1 1 A 105 105 SER H H 105 7.790 7.178 0.612 1
1 1060 . 16 1 1 A 105 105 SER HA H 105 4.330 4.296 0.034 1
1 1063 . 16 1 1 A 105 105 SER C C 105 174.700 174.860 -0.160 1
1 1064 . 16 1 1 A 105 105 SER CA C 105 58.900 61.559 -2.659 1
1 1065 . 16 1 1 A 105 105 SER CB C 105 63.500 63.209 0.291 1
1 1066 . 16 1 1 A 105 105 SER N N 105 114.900 115.587 -0.687 1
1 1067 . 16 1 1 A 106 106 LYS H H 106 8.000 7.146 0.854 1
1 1068 . 16 1 1 A 106 106 LYS HA H 106 4.300 4.478 -0.178 1
1 1077 . 16 1 1 A 106 106 LYS C C 106 177.000 175.975 1.025 1
1 1078 . 16 1 1 A 106 106 LYS CA C 106 56.600 55.035 1.565 1
1 1079 . 16 1 1 A 106 106 LYS CB C 106 32.800 33.970 -1.170 1
1 1081 . 16 1 1 A 106 106 LYS N N 106 122.400 114.868 7.532 1
1 1082 . 16 1 1 A 107 107 GLY H H 107 8.310 8.552 -0.242 1
1 1083 . 16 1 1 A 107 107 GLY HA2 H 107 3.990 4.045 -0.055 1
1 1084 . 16 1 1 A 107 107 GLY HA3 H 107 3.990 4.055 -0.065 1
1 1085 . 16 1 1 A 107 107 GLY CA C 107 45.300 45.456 -0.156 1
1 1086 . 16 1 1 A 107 107 GLY N N 107 110.000 108.697 1.303 1
1 1 . 17 1 1 A 11 11 SER HA H 11 4.510 4.172 0.338 1
1 4 . 17 1 1 A 11 11 SER C C 11 174.600 175.130 -0.530 1
1 5 . 17 1 1 A 11 11 SER CA C 11 58.400 61.101 -2.701 1
1 6 . 17 1 1 A 11 11 SER CB C 11 63.800 63.247 0.553 1
1 7 . 17 1 1 A 12 12 SER H H 12 8.630 7.838 0.792 1
1 8 . 17 1 1 A 12 12 SER HA H 12 4.500 4.374 0.126 1
1 11 . 17 1 1 A 12 12 SER C C 12 175.000 174.349 0.651 1
1 12 . 17 1 1 A 12 12 SER CA C 12 58.600 58.589 0.011 1
1 13 . 17 1 1 A 12 12 SER CB C 12 63.900 62.549 1.351 1
1 14 . 17 1 1 A 12 12 SER N N 12 118.300 116.023 2.277 1
1 15 . 17 1 1 A 13 13 GLY H H 13 8.560 7.828 0.732 1
1 16 . 17 1 1 A 13 13 GLY HA2 H 13 4.050 4.005 0.045 1
1 17 . 17 1 1 A 13 13 GLY HA3 H 13 4.050 4.087 -0.037 1
1 18 . 17 1 1 A 13 13 GLY C C 13 174.300 174.544 -0.244 1
1 19 . 17 1 1 A 13 13 GLY CA C 13 45.400 45.540 -0.140 1
1 20 . 17 1 1 A 13 13 GLY N N 13 111.000 113.962 -2.962 1
1 21 . 17 1 1 A 14 14 ARG H H 14 8.260 7.769 0.491 1
1 22 . 17 1 1 A 14 14 ARG HA H 14 4.320 4.544 -0.224 1
1 29 . 17 1 1 A 14 14 ARG C C 14 176.400 177.097 -0.697 1
1 30 . 17 1 1 A 14 14 ARG CA C 14 56.300 56.332 -0.032 1
1 31 . 17 1 1 A 14 14 ARG CB C 14 30.600 32.843 -2.243 1
1 34 . 17 1 1 A 14 14 ARG N N 14 120.400 117.361 3.039 1
1 35 . 17 1 1 A 15 15 GLU H H 15 8.660 8.257 0.403 1
1 36 . 17 1 1 A 15 15 GLU HA H 15 4.210 4.294 -0.084 1
1 41 . 17 1 1 A 15 15 GLU C C 15 176.200 177.127 -0.927 1
1 42 . 17 1 1 A 15 15 GLU CA C 15 57.200 56.996 0.204 1
1 43 . 17 1 1 A 15 15 GLU CB C 15 29.700 29.188 0.512 1
1 45 . 17 1 1 A 15 15 GLU N N 15 121.100 118.390 2.710 1
1 46 . 17 1 1 A 16 16 ASN H H 16 8.420 8.667 -0.247 1
1 47 . 17 1 1 A 16 16 ASN HA H 16 4.680 4.590 0.090 1
1 52 . 17 1 1 A 16 16 ASN C C 16 175.100 176.734 -1.634 1
1 53 . 17 1 1 A 16 16 ASN CA C 16 53.300 54.973 -1.673 1
1 54 . 17 1 1 A 16 16 ASN CB C 16 38.700 36.876 1.824 1
1 55 . 17 1 1 A 16 16 ASN N N 16 118.900 120.005 -1.105 1
1 57 . 17 1 1 A 17 17 LEU H H 17 8.110 7.667 0.443 1
1 58 . 17 1 1 A 17 17 LEU HA H 17 4.210 4.132 0.078 1
1 68 . 17 1 1 A 17 17 LEU C C 17 177.000 176.668 0.332 1
1 69 . 17 1 1 A 17 17 LEU CA C 17 55.600 57.163 -1.563 1
1 70 . 17 1 1 A 17 17 LEU CB C 17 42.200 41.859 0.341 1
1 74 . 17 1 1 A 17 17 LEU N N 17 121.900 118.989 2.911 1
1 75 . 17 1 1 A 18 18 TYR H H 18 8.070 7.879 0.191 1
1 76 . 17 1 1 A 18 18 TYR HA H 18 4.530 4.703 -0.173 1
1 83 . 17 1 1 A 18 18 TYR C C 18 175.700 176.028 -0.328 1
1 84 . 17 1 1 A 18 18 TYR CA C 18 58.000 56.599 1.401 1
1 85 . 17 1 1 A 18 18 TYR CB C 18 38.700 36.950 1.750 1
1 90 . 17 1 1 A 18 18 TYR N N 18 119.500 117.366 2.134 1
1 91 . 17 1 1 A 19 19 PHE H H 19 8.120 7.865 0.255 1
1 92 . 17 1 1 A 19 19 PHE HA H 19 4.560 4.671 -0.111 1
1 99 . 17 1 1 A 19 19 PHE C C 19 175.500 175.507 -0.007 1
1 100 . 17 1 1 A 19 19 PHE CA C 19 57.900 57.635 0.265 1
1 101 . 17 1 1 A 19 19 PHE CB C 19 39.500 39.343 0.157 1
1 106 . 17 1 1 A 19 19 PHE N N 19 121.200 120.636 0.564 1
1 107 . 17 1 1 A 20 20 GLN H H 20 8.300 7.590 0.710 1
1 108 . 17 1 1 A 20 20 GLN HA H 20 4.200 4.351 -0.151 1
1 115 . 17 1 1 A 20 20 GLN C C 20 176.000 175.293 0.707 1
1 116 . 17 1 1 A 20 20 GLN CA C 20 56.100 55.498 0.602 1
1 117 . 17 1 1 A 20 20 GLN CB C 20 29.100 27.003 2.097 1
1 119 . 17 1 1 A 20 20 GLN N N 20 121.700 120.113 1.587 1
1 121 . 17 1 1 A 21 21 GLY H H 21 7.970 8.689 -0.719 1
1 122 . 17 1 1 A 21 21 GLY HA2 H 21 3.940 4.225 -0.285 1
1 123 . 17 1 1 A 21 21 GLY HA3 H 21 3.830 4.267 -0.437 1
1 124 . 17 1 1 A 21 21 GLY CA C 21 45.400 45.889 -0.489 1
1 125 . 17 1 1 A 21 21 GLY N N 21 108.500 109.896 -1.396 1
1 126 . 17 1 1 A 22 22 HIS H H 22 8.280 8.358 -0.078 1
1 127 . 17 1 1 A 22 22 HIS C C 22 174.000 175.174 -1.174 1
1 128 . 17 1 1 A 22 22 HIS CA C 22 56.000 56.545 -0.545 1
1 129 . 17 1 1 A 22 22 HIS CB C 22 29.900 29.972 -0.072 1
1 130 . 17 1 1 A 22 22 HIS N N 22 118.700 118.755 -0.055 1
1 134 . 17 1 1 A 23 23 MET C C 23 175.900 174.657 1.243 1
1 135 . 17 1 1 A 23 23 MET CB C 23 32.700 35.626 -2.926 1
1 137 . 17 1 1 A 24 24 CYS H H 24 8.390 8.723 -0.333 1
1 138 . 17 1 1 A 24 24 CYS HA H 24 4.620 4.512 0.108 1
1 141 . 17 1 1 A 24 24 CYS C C 24 175.400 175.950 -0.550 1
1 142 . 17 1 1 A 24 24 CYS CA C 24 58.000 58.730 -0.730 1
1 143 . 17 1 1 A 24 24 CYS CB C 24 27.900 28.329 -0.429 1
1 144 . 17 1 1 A 24 24 CYS N N 24 120.600 120.574 0.026 1
1 145 . 17 1 1 A 25 25 ILE H H 25 8.550 8.727 -0.177 1
1 146 . 17 1 1 A 25 25 ILE HA H 25 4.010 3.868 0.142 1
1 156 . 17 1 1 A 25 25 ILE C C 25 176.200 176.869 -0.669 1
1 157 . 17 1 1 A 25 25 ILE CA C 25 63.400 64.285 -0.885 1
1 158 . 17 1 1 A 25 25 ILE CB C 25 38.100 37.372 0.728 1
1 162 . 17 1 1 A 25 25 ILE N N 25 124.600 126.866 -2.266 1
1 163 . 17 1 1 A 26 26 GLN H H 26 8.860 8.063 0.797 1
1 164 . 17 1 1 A 26 26 GLN HA H 26 3.340 3.707 -0.367 1
1 171 . 17 1 1 A 26 26 GLN C C 26 176.800 178.338 -1.538 1
1 172 . 17 1 1 A 26 26 GLN CA C 26 60.200 59.104 1.096 1
1 173 . 17 1 1 A 26 26 GLN CB C 26 27.800 27.997 -0.197 1
1 175 . 17 1 1 A 26 26 GLN N N 26 121.900 121.143 0.757 1
1 177 . 17 1 1 A 27 27 LYS H H 27 7.340 7.671 -0.331 1
1 178 . 17 1 1 A 27 27 LYS HA H 27 4.070 4.131 -0.061 1
1 181 . 17 1 1 A 27 27 LYS C C 27 177.900 178.576 -0.676 1
1 182 . 17 1 1 A 27 27 LYS CA C 27 58.300 58.697 -0.397 1
1 183 . 17 1 1 A 27 27 LYS CB C 27 31.800 32.052 -0.252 1
1 187 . 17 1 1 A 27 27 LYS N N 27 117.700 119.995 -2.295 1
1 188 . 17 1 1 A 28 28 VAL H H 28 7.570 7.681 -0.111 1
1 189 . 17 1 1 A 28 28 VAL HA H 28 3.680 3.599 0.081 1
1 197 . 17 1 1 A 28 28 VAL C C 28 178.600 178.241 0.359 1
1 198 . 17 1 1 A 28 28 VAL CA C 28 66.400 66.361 0.039 1
1 199 . 17 1 1 A 28 28 VAL CB C 28 31.800 31.531 0.269 1
1 202 . 17 1 1 A 28 28 VAL N N 28 119.900 119.842 0.058 1
1 203 . 17 1 1 A 29 29 ILE H H 29 8.180 8.062 0.118 1
1 204 . 17 1 1 A 29 29 ILE HA H 29 3.290 3.464 -0.174 1
1 212 . 17 1 1 A 29 29 ILE C C 29 177.500 177.737 -0.237 1
1 213 . 17 1 1 A 29 29 ILE CA C 29 65.900 65.265 0.635 1
1 214 . 17 1 1 A 29 29 ILE CB C 29 37.600 37.463 0.137 1
1 218 . 17 1 1 A 29 29 ILE N N 29 118.500 120.720 -2.220 1
1 219 . 17 1 1 A 30 30 GLU H H 30 8.370 8.537 -0.167 1
1 220 . 17 1 1 A 30 30 GLU HA H 30 3.610 3.878 -0.268 1
1 225 . 17 1 1 A 30 30 GLU C C 30 179.000 179.021 -0.021 1
1 226 . 17 1 1 A 30 30 GLU CA C 30 60.400 59.871 0.529 1
1 227 . 17 1 1 A 30 30 GLU CB C 30 29.600 29.057 0.543 1
1 229 . 17 1 1 A 30 30 GLU N N 30 119.200 119.394 -0.194 1
1 230 . 17 1 1 A 31 31 ASP H H 31 8.710 7.908 0.802 1
1 231 . 17 1 1 A 31 31 ASP HA H 31 4.370 4.447 -0.077 1
1 234 . 17 1 1 A 31 31 ASP CA C 31 57.600 56.269 1.331 1
1 235 . 17 1 1 A 31 31 ASP CB C 31 40.200 40.380 -0.180 1
1 236 . 17 1 1 A 31 31 ASP N N 31 125.100 119.624 5.476 1
1 237 . 17 1 1 A 32 32 LYS H H 32 8.430 7.856 0.574 1
1 238 . 17 1 1 A 32 32 LYS HA H 32 4.030 4.020 0.010 1
1 243 . 17 1 1 A 32 32 LYS C C 32 180.300 179.475 0.825 1
1 244 . 17 1 1 A 32 32 LYS CA C 32 60.400 59.704 0.696 1
1 245 . 17 1 1 A 32 32 LYS CB C 32 33.100 32.131 0.969 1
1 248 . 17 1 1 A 32 32 LYS N N 32 120.700 120.572 0.128 1
1 249 . 17 1 1 A 33 33 LEU H H 33 8.580 7.561 1.019 1
1 250 . 17 1 1 A 33 33 LEU HA H 33 4.000 4.042 -0.042 1
1 260 . 17 1 1 A 33 33 LEU C C 33 179.200 178.851 0.349 1
1 261 . 17 1 1 A 33 33 LEU CA C 33 58.000 57.772 0.228 1
1 262 . 17 1 1 A 33 33 LEU CB C 33 42.500 41.171 1.329 1
1 266 . 17 1 1 A 33 33 LEU N N 33 117.200 119.173 -1.973 1
1 267 . 17 1 1 A 34 34 SER H H 34 8.670 7.800 0.870 1
1 268 . 17 1 1 A 34 34 SER HA H 34 4.100 4.157 -0.057 1
1 271 . 17 1 1 A 34 34 SER C C 34 176.900 177.361 -0.461 1
1 272 . 17 1 1 A 34 34 SER CA C 34 62.500 61.633 0.867 1
1 273 . 17 1 1 A 34 34 SER CB C 34 62.500 62.862 -0.362 1
1 274 . 17 1 1 A 34 34 SER N N 34 115.500 115.438 0.062 1
1 275 . 17 1 1 A 35 35 SER H H 35 8.080 8.460 -0.380 1
1 276 . 17 1 1 A 35 35 SER HA H 35 4.200 4.209 -0.009 1
1 279 . 17 1 1 A 35 35 SER C C 35 175.900 176.279 -0.379 1
1 280 . 17 1 1 A 35 35 SER CA C 35 60.900 61.499 -0.599 1
1 281 . 17 1 1 A 35 35 SER CB C 35 62.900 62.964 -0.064 1
1 282 . 17 1 1 A 35 35 SER N N 35 115.300 116.507 -1.207 1
1 283 . 17 1 1 A 36 36 ALA H H 36 7.570 7.756 -0.186 1
1 284 . 17 1 1 A 36 36 ALA HA H 36 4.340 4.338 0.002 1
1 288 . 17 1 1 A 36 36 ALA C C 36 179.200 179.189 0.011 1
1 289 . 17 1 1 A 36 36 ALA CA C 36 54.300 54.048 0.252 1
1 290 . 17 1 1 A 36 36 ALA CB C 36 20.900 19.139 1.761 1
1 291 . 17 1 1 A 36 36 ALA N N 36 119.000 122.814 -3.814 1
1 292 . 17 1 1 A 37 37 LEU H H 37 7.960 7.613 0.347 1
1 293 . 17 1 1 A 37 37 LEU HA H 37 4.530 4.423 0.107 1
1 303 . 17 1 1 A 37 37 LEU CA C 37 53.500 55.157 -1.657 1
1 304 . 17 1 1 A 37 37 LEU CB C 37 42.600 43.231 -0.631 1
1 308 . 17 1 1 A 37 37 LEU N N 37 111.800 115.265 -3.465 1
1 309 . 17 1 1 A 38 38 LYS H H 38 7.600 8.420 -0.820 1
1 310 . 17 1 1 A 38 38 LYS HA H 38 4.250 4.058 0.192 1
1 313 . 17 1 1 A 38 38 LYS CA C 38 56.200 56.833 -0.633 1
1 314 . 17 1 1 A 38 38 LYS CB C 38 30.800 30.845 -0.045 1
1 315 . 17 1 1 A 38 38 LYS N N 38 117.200 115.648 1.552 1
1 316 . 17 1 1 A 39 39 PRO HA H 39 4.670 4.582 0.088 1
1 323 . 17 1 1 A 39 39 PRO C C 39 178.100 177.716 0.384 1
1 324 . 17 1 1 A 39 39 PRO CA C 39 63.300 62.337 0.963 1
1 325 . 17 1 1 A 39 39 PRO CB C 39 32.700 32.288 0.412 1
1 328 . 17 1 1 A 40 40 THR H H 40 8.500 8.187 0.313 1
1 329 . 17 1 1 A 40 40 THR HA H 40 4.290 4.073 0.217 1
1 334 . 17 1 1 A 40 40 THR C C 40 175.700 174.357 1.343 1
1 335 . 17 1 1 A 40 40 THR CA C 40 63.200 64.887 -1.687 1
1 336 . 17 1 1 A 40 40 THR CB C 40 67.600 68.859 -1.259 1
1 338 . 17 1 1 A 40 40 THR N N 40 114.500 115.099 -0.599 1
1 339 . 17 1 1 A 41 41 PHE H H 41 7.300 7.438 -0.138 1
1 340 . 17 1 1 A 41 41 PHE HA H 41 4.510 4.340 0.170 1
1 347 . 17 1 1 A 41 41 PHE C C 41 171.500 173.033 -1.533 1
1 348 . 17 1 1 A 41 41 PHE CA C 41 58.800 56.746 2.054 1
1 349 . 17 1 1 A 41 41 PHE CB C 41 41.000 41.932 -0.932 1
1 354 . 17 1 1 A 41 41 PHE N N 41 121.100 120.694 0.406 1
1 355 . 17 1 1 A 42 42 LEU H H 42 7.530 8.483 -0.953 1
1 356 . 17 1 1 A 42 42 LEU HA H 42 4.910 5.282 -0.372 1
1 366 . 17 1 1 A 42 42 LEU C C 42 173.700 174.370 -0.670 1
1 367 . 17 1 1 A 42 42 LEU CA C 42 53.500 54.100 -0.600 1
1 368 . 17 1 1 A 42 42 LEU CB C 42 45.300 46.143 -0.843 1
1 372 . 17 1 1 A 42 42 LEU N N 42 129.100 129.022 0.078 1
1 373 . 17 1 1 A 43 43 GLU H H 43 8.690 8.461 0.229 1
1 374 . 17 1 1 A 43 43 GLU HA H 43 4.400 4.769 -0.369 1
1 379 . 17 1 1 A 43 43 GLU C C 43 173.500 174.230 -0.730 1
1 380 . 17 1 1 A 43 43 GLU CA C 43 55.800 54.931 0.869 1
1 381 . 17 1 1 A 43 43 GLU CB C 43 34.100 33.497 0.603 1
1 383 . 17 1 1 A 43 43 GLU N N 43 126.900 126.025 0.875 1
1 384 . 17 1 1 A 44 44 LEU H H 44 9.000 8.970 0.030 1
1 385 . 17 1 1 A 44 44 LEU HA H 44 5.130 5.203 -0.073 1
1 395 . 17 1 1 A 44 44 LEU C C 44 175.100 175.544 -0.444 1
1 396 . 17 1 1 A 44 44 LEU CA C 44 53.700 53.501 0.199 1
1 397 . 17 1 1 A 44 44 LEU CB C 44 44.600 43.037 1.563 1
1 401 . 17 1 1 A 44 44 LEU N N 44 129.900 127.646 2.254 1
1 402 . 17 1 1 A 45 45 VAL H H 45 9.000 9.666 -0.666 1
1 403 . 17 1 1 A 45 45 VAL HA H 45 4.370 4.658 -0.288 1
1 411 . 17 1 1 A 45 45 VAL C C 45 175.100 175.130 -0.030 1
1 412 . 17 1 1 A 45 45 VAL CA C 45 61.200 61.306 -0.106 1
1 413 . 17 1 1 A 45 45 VAL CB C 45 35.400 33.263 2.137 1
1 416 . 17 1 1 A 45 45 VAL N N 45 122.300 125.263 -2.963 1
1 417 . 17 1 1 A 46 46 ASP H H 46 9.080 9.010 0.070 1
1 418 . 17 1 1 A 46 46 ASP HA H 46 4.530 4.885 -0.355 1
1 421 . 17 1 1 A 46 46 ASP C C 46 176.900 174.965 1.935 1
1 422 . 17 1 1 A 46 46 ASP CA C 46 53.900 54.118 -0.218 1
1 423 . 17 1 1 A 46 46 ASP CB C 46 40.600 41.632 -1.032 1
1 424 . 17 1 1 A 46 46 ASP N N 46 127.400 128.916 -1.516 1
1 425 . 17 1 1 A 47 47 LYS H H 47 8.490 9.236 -0.746 1
1 426 . 17 1 1 A 47 47 LYS HA H 47 4.560 4.707 -0.147 1
1 427 . 17 1 1 A 47 47 LYS CA C 47 54.200 54.514 -0.314 1
1 428 . 17 1 1 A 47 47 LYS CB C 47 30.400 35.162 -4.762 1
1 429 . 17 1 1 A 47 47 LYS N N 47 129.500 126.029 3.471 1
1 430 . 17 1 1 A 54 54 SER HA H 54 5.550 5.249 0.301 1
1 433 . 17 1 1 A 54 54 SER C C 54 172.900 172.861 0.039 1
1 434 . 17 1 1 A 54 54 SER CA C 54 57.300 56.428 0.872 1
1 435 . 17 1 1 A 54 54 SER CB C 54 65.800 65.759 0.041 1
1 436 . 17 1 1 A 55 55 PHE H H 55 8.340 8.803 -0.463 1
1 437 . 17 1 1 A 55 55 PHE HA H 55 5.700 5.079 0.621 1
1 442 . 17 1 1 A 55 55 PHE C C 55 174.400 173.870 0.530 1
1 443 . 17 1 1 A 55 55 PHE CA C 55 56.700 56.350 0.350 1
1 444 . 17 1 1 A 55 55 PHE CB C 55 45.300 41.850 3.450 1
1 447 . 17 1 1 A 55 55 PHE N N 55 119.600 121.608 -2.008 1
1 448 . 17 1 1 A 56 56 ASP H H 56 8.840 9.306 -0.466 1
1 449 . 17 1 1 A 56 56 ASP HA H 56 5.350 5.387 -0.037 1
1 452 . 17 1 1 A 56 56 ASP C C 56 174.400 174.712 -0.312 1
1 453 . 17 1 1 A 56 56 ASP CA C 56 52.900 52.495 0.405 1
1 454 . 17 1 1 A 56 56 ASP CB C 56 43.700 43.360 0.340 1
1 455 . 17 1 1 A 56 56 ASP N N 56 121.500 124.078 -2.578 1
1 456 . 17 1 1 A 57 57 ALA H H 57 8.780 8.849 -0.069 1
1 457 . 17 1 1 A 57 57 ALA HA H 57 5.620 5.670 -0.050 1
1 461 . 17 1 1 A 57 57 ALA C C 57 176.400 176.131 0.269 1
1 462 . 17 1 1 A 57 57 ALA CA C 57 50.200 50.212 -0.012 1
1 463 . 17 1 1 A 57 57 ALA CB C 57 23.600 20.774 2.826 1
1 464 . 17 1 1 A 57 57 ALA N N 57 125.000 129.233 -4.233 1
1 465 . 17 1 1 A 58 58 VAL H H 58 9.080 8.692 0.388 1
1 466 . 17 1 1 A 58 58 VAL HA H 58 4.580 4.328 0.252 1
1 474 . 17 1 1 A 58 58 VAL C C 58 175.000 174.578 0.422 1
1 475 . 17 1 1 A 58 58 VAL CA C 58 62.800 63.092 -0.292 1
1 476 . 17 1 1 A 58 58 VAL CB C 58 34.100 31.456 2.644 1
1 479 . 17 1 1 A 58 58 VAL N N 58 125.100 123.343 1.757 1
1 480 . 17 1 1 A 59 59 ILE H H 59 8.750 9.239 -0.489 1
1 481 . 17 1 1 A 59 59 ILE HA H 59 4.430 5.001 -0.571 1
1 489 . 17 1 1 A 59 59 ILE C C 59 173.900 173.948 -0.048 1
1 490 . 17 1 1 A 59 59 ILE CA C 59 60.900 60.217 0.683 1
1 491 . 17 1 1 A 59 59 ILE CB C 59 41.100 40.668 0.432 1
1 495 . 17 1 1 A 59 59 ILE N N 59 125.000 129.587 -4.587 1
1 496 . 17 1 1 A 60 60 VAL H H 60 8.540 9.393 -0.853 1
1 497 . 17 1 1 A 60 60 VAL HA H 60 5.540 5.709 -0.169 1
1 505 . 17 1 1 A 60 60 VAL C C 60 175.900 174.850 1.050 1
1 506 . 17 1 1 A 60 60 VAL CA C 60 60.200 61.054 -0.854 1
1 507 . 17 1 1 A 60 60 VAL CB C 60 31.800 32.636 -0.836 1
1 510 . 17 1 1 A 60 60 VAL N N 60 128.600 131.705 -3.105 1
1 511 . 17 1 1 A 61 61 SER H H 61 8.720 8.139 0.581 1
1 512 . 17 1 1 A 61 61 SER HA H 61 5.000 4.758 0.242 1
1 515 . 17 1 1 A 61 61 SER C C 61 175.700 174.165 1.535 1
1 516 . 17 1 1 A 61 61 SER CA C 61 56.500 56.904 -0.404 1
1 517 . 17 1 1 A 61 61 SER CB C 61 64.400 65.576 -1.176 1
1 518 . 17 1 1 A 61 61 SER N N 61 115.900 120.619 -4.719 1
1 519 . 17 1 1 A 62 62 ASN H H 62 9.650 9.153 0.497 1
1 520 . 17 1 1 A 62 62 ASN HA H 62 4.670 4.466 0.204 1
1 525 . 17 1 1 A 62 62 ASN CA C 62 56.500 55.614 0.886 1
1 526 . 17 1 1 A 62 62 ASN CB C 62 38.600 38.057 0.543 1
1 528 . 17 1 1 A 62 62 ASN N N 62 129.400 121.147 8.253 1
1 530 . 17 1 1 A 63 63 ASN H H 63 8.920 8.222 0.698 1
1 531 . 17 1 1 A 63 63 ASN HA H 63 4.490 4.389 0.101 1
1 536 . 17 1 1 A 63 63 ASN C C 63 175.200 177.029 -1.829 1
1 537 . 17 1 1 A 63 63 ASN CA C 63 55.700 55.904 -0.204 1
1 538 . 17 1 1 A 63 63 ASN CB C 63 37.600 38.649 -1.049 1
1 539 . 17 1 1 A 63 63 ASN N N 63 119.500 117.773 1.727 1
1 541 . 17 1 1 A 64 64 PHE H H 64 6.950 7.152 -0.202 1
1 542 . 17 1 1 A 64 64 PHE HA H 64 4.690 4.663 0.027 1
1 545 . 17 1 1 A 64 64 PHE C C 64 174.200 176.395 -2.195 1
1 546 . 17 1 1 A 64 64 PHE CA C 64 54.900 57.377 -2.477 1
1 547 . 17 1 1 A 64 64 PHE CB C 64 37.500 38.548 -1.048 1
1 548 . 17 1 1 A 64 64 PHE N N 64 113.700 115.692 -1.992 1
1 549 . 17 1 1 A 65 65 GLU H H 65 7.470 8.539 -1.069 1
1 550 . 17 1 1 A 65 65 GLU HA H 65 4.010 4.253 -0.243 1
1 555 . 17 1 1 A 65 65 GLU C C 65 174.800 178.250 -3.450 1
1 556 . 17 1 1 A 65 65 GLU CA C 65 58.400 58.413 -0.013 1
1 557 . 17 1 1 A 65 65 GLU CB C 65 29.700 29.909 -0.209 1
1 559 . 17 1 1 A 65 65 GLU N N 65 120.500 121.779 -1.279 1
1 560 . 17 1 1 A 66 66 ASP H H 66 9.010 7.893 1.117 1
1 561 . 17 1 1 A 66 66 ASP HA H 66 4.390 4.710 -0.320 1
1 564 . 17 1 1 A 66 66 ASP C C 66 175.000 175.617 -0.617 1
1 565 . 17 1 1 A 66 66 ASP CA C 66 55.800 54.594 1.206 1
1 566 . 17 1 1 A 66 66 ASP CB C 66 39.800 41.244 -1.444 1
1 567 . 17 1 1 A 66 66 ASP N N 66 119.200 119.888 -0.688 1
1 568 . 17 1 1 A 67 67 LYS H H 67 7.800 7.914 -0.114 1
1 569 . 17 1 1 A 67 67 LYS C C 67 177.400 175.424 1.976 1
1 570 . 17 1 1 A 67 67 LYS CA C 67 54.700 57.483 -2.783 1
1 571 . 17 1 1 A 67 67 LYS CB C 67 38.400 28.840 9.560 1
1 575 . 17 1 1 A 67 67 LYS N N 67 117.200 116.979 0.221 1
1 576 . 17 1 1 A 68 68 LYS H H 68 9.340 8.237 1.103 1
1 577 . 17 1 1 A 68 68 LYS HA H 68 4.400 4.511 -0.111 1
1 586 . 17 1 1 A 68 68 LYS C C 68 177.500 177.309 0.191 1
1 587 . 17 1 1 A 68 68 LYS CA C 68 55.900 54.610 1.290 1
1 588 . 17 1 1 A 68 68 LYS CB C 68 32.700 30.908 1.792 1
1 592 . 17 1 1 A 68 68 LYS N N 68 125.800 119.965 5.835 1
1 593 . 17 1 1 A 69 69 LEU H H 69 8.710 8.343 0.367 1
1 594 . 17 1 1 A 69 69 LEU HA H 69 3.630 3.869 -0.239 1
1 603 . 17 1 1 A 69 69 LEU C C 69 178.400 178.642 -0.242 1
1 604 . 17 1 1 A 69 69 LEU CA C 69 60.300 57.804 2.496 1
1 605 . 17 1 1 A 69 69 LEU CB C 69 41.600 41.270 0.330 1
1 608 . 17 1 1 A 69 69 LEU N N 69 124.300 124.576 -0.276 1
1 609 . 17 1 1 A 70 70 LEU H H 70 8.700 8.056 0.644 1
1 610 . 17 1 1 A 70 70 LEU HA H 70 3.930 3.984 -0.054 1
1 620 . 17 1 1 A 70 70 LEU C C 70 179.400 178.848 0.552 1
1 621 . 17 1 1 A 70 70 LEU CA C 70 58.200 58.164 0.036 1
1 622 . 17 1 1 A 70 70 LEU CB C 70 41.700 40.989 0.711 1
1 626 . 17 1 1 A 70 70 LEU N N 70 116.100 119.269 -3.169 1
1 627 . 17 1 1 A 71 71 ASP H H 71 7.130 8.122 -0.992 1
1 628 . 17 1 1 A 71 71 ASP HA H 71 4.660 4.393 0.267 1
1 631 . 17 1 1 A 71 71 ASP C C 71 179.000 178.976 0.024 1
1 632 . 17 1 1 A 71 71 ASP CA C 71 57.100 57.106 -0.006 1
1 633 . 17 1 1 A 71 71 ASP CB C 71 40.800 40.534 0.266 1
1 634 . 17 1 1 A 71 71 ASP N N 71 117.600 120.001 -2.401 1
1 635 . 17 1 1 A 72 72 ARG H H 72 8.190 8.107 0.083 1
1 636 . 17 1 1 A 72 72 ARG HA H 72 3.930 3.535 0.395 1
1 637 . 17 1 1 A 72 72 ARG C C 72 177.000 178.280 -1.280 1
1 638 . 17 1 1 A 72 72 ARG CA C 72 60.100 58.942 1.158 1
1 639 . 17 1 1 A 72 72 ARG CB C 72 29.300 29.183 0.117 1
1 642 . 17 1 1 A 72 72 ARG N N 72 122.200 120.802 1.398 1
1 643 . 17 1 1 A 73 73 HIS H H 73 8.030 8.371 -0.341 1
1 644 . 17 1 1 A 73 73 HIS HA H 73 4.100 4.187 -0.087 1
1 648 . 17 1 1 A 73 73 HIS C C 73 177.300 177.110 0.190 1
1 649 . 17 1 1 A 73 73 HIS CA C 73 58.100 59.760 -1.660 1
1 650 . 17 1 1 A 73 73 HIS CB C 73 30.200 29.730 0.470 1
1 652 . 17 1 1 A 73 73 HIS N N 73 116.800 119.175 -2.375 1
1 653 . 17 1 1 A 74 74 ARG H H 74 8.290 8.306 -0.016 1
1 654 . 17 1 1 A 74 74 ARG HA H 74 4.080 4.011 0.069 1
1 661 . 17 1 1 A 74 74 ARG C C 74 178.700 178.791 -0.091 1
1 662 . 17 1 1 A 74 74 ARG CA C 74 59.700 59.007 0.693 1
1 663 . 17 1 1 A 74 74 ARG CB C 74 30.400 30.163 0.237 1
1 666 . 17 1 1 A 74 74 ARG N N 74 118.200 118.571 -0.371 1
1 667 . 17 1 1 A 75 75 LEU H H 75 7.740 8.340 -0.600 1
1 668 . 17 1 1 A 75 75 LEU HA H 75 4.270 4.079 0.191 1
1 678 . 17 1 1 A 75 75 LEU CA C 75 58.300 58.127 0.173 1
1 679 . 17 1 1 A 75 75 LEU CB C 75 42.000 42.342 -0.342 1
1 683 . 17 1 1 A 75 75 LEU N N 75 121.200 121.247 -0.047 1
1 684 . 17 1 1 A 76 76 VAL H H 76 7.590 7.801 -0.211 1
1 685 . 17 1 1 A 76 76 VAL HA H 76 3.360 3.540 -0.180 1
1 693 . 17 1 1 A 76 76 VAL C C 76 176.800 177.154 -0.354 1
1 694 . 17 1 1 A 76 76 VAL CA C 76 67.500 66.897 0.603 1
1 695 . 17 1 1 A 76 76 VAL CB C 76 31.500 31.207 0.293 1
1 698 . 17 1 1 A 76 76 VAL N N 76 119.300 117.626 1.674 1
1 699 . 17 1 1 A 77 77 ASN H H 77 8.690 8.177 0.513 1
1 700 . 17 1 1 A 77 77 ASN HA H 77 4.190 4.441 -0.251 1
1 705 . 17 1 1 A 77 77 ASN C C 77 178.000 178.257 -0.257 1
1 706 . 17 1 1 A 77 77 ASN CA C 77 55.400 56.338 -0.938 1
1 707 . 17 1 1 A 77 77 ASN CB C 77 37.600 37.903 -0.303 1
1 708 . 17 1 1 A 77 77 ASN N N 77 117.100 118.901 -1.801 1
1 710 . 17 1 1 A 78 78 THR H H 78 8.050 8.108 -0.058 1
1 711 . 17 1 1 A 78 78 THR HA H 78 3.970 3.940 0.030 1
1 716 . 17 1 1 A 78 78 THR C C 78 176.900 176.374 0.526 1
1 717 . 17 1 1 A 78 78 THR CA C 78 66.700 67.243 -0.543 1
1 718 . 17 1 1 A 78 78 THR CB C 78 68.800 68.712 0.088 1
1 720 . 17 1 1 A 78 78 THR N N 78 116.300 116.765 -0.465 1
1 721 . 17 1 1 A 79 79 ILE H H 79 8.020 7.537 0.483 1
1 722 . 17 1 1 A 79 79 ILE HA H 79 3.670 3.859 -0.189 1
1 730 . 17 1 1 A 79 79 ILE CA C 79 65.000 64.155 0.845 1
1 731 . 17 1 1 A 79 79 ILE CB C 79 38.500 38.038 0.462 1
1 734 . 17 1 1 A 79 79 ILE N N 79 124.800 121.336 3.464 1
1 735 . 17 1 1 A 80 80 LEU H H 80 7.770 8.400 -0.630 1
1 745 . 17 1 1 A 80 80 LEU C C 80 176.000 179.083 -3.083 1
1 746 . 17 1 1 A 80 80 LEU CA C 80 52.900 56.003 -3.103 1
1 747 . 17 1 1 A 80 80 LEU CB C 80 41.100 41.268 -0.168 1
1 751 . 17 1 1 A 80 80 LEU N N 80 115.200 119.229 -4.029 1
1 752 . 17 1 1 A 81 81 LYS H H 81 6.880 7.927 -1.047 1
1 753 . 17 1 1 A 81 81 LYS HA H 81 3.820 3.911 -0.091 1
1 762 . 17 1 1 A 81 81 LYS C C 81 178.400 178.973 -0.573 1
1 763 . 17 1 1 A 81 81 LYS CA C 81 60.700 59.844 0.856 1
1 764 . 17 1 1 A 81 81 LYS CB C 81 32.800 32.525 0.275 1
1 768 . 17 1 1 A 81 81 LYS N N 81 120.300 121.167 -0.867 1
1 769 . 17 1 1 A 82 82 GLU H H 82 8.620 8.087 0.533 1
1 770 . 17 1 1 A 82 82 GLU HA H 82 4.020 4.049 -0.029 1
1 773 . 17 1 1 A 82 82 GLU C C 82 178.500 178.767 -0.267 1
1 774 . 17 1 1 A 82 82 GLU CA C 82 59.000 59.167 -0.167 1
1 775 . 17 1 1 A 82 82 GLU CB C 82 28.700 29.172 -0.472 1
1 777 . 17 1 1 A 82 82 GLU N N 82 116.700 118.765 -2.065 1
1 778 . 17 1 1 A 83 83 GLU H H 83 8.070 7.704 0.366 1
1 779 . 17 1 1 A 83 83 GLU HA H 83 3.980 3.974 0.006 1
1 784 . 17 1 1 A 83 83 GLU C C 83 179.300 179.184 0.116 1
1 785 . 17 1 1 A 83 83 GLU CA C 83 60.900 59.007 1.893 1
1 786 . 17 1 1 A 83 83 GLU CB C 83 28.900 29.180 -0.280 1
1 788 . 17 1 1 A 83 83 GLU N N 83 120.300 119.688 0.612 1
1 789 . 17 1 1 A 84 84 LEU H H 84 8.480 8.562 -0.082 1
1 790 . 17 1 1 A 84 84 LEU HA H 84 3.910 3.918 -0.008 1
1 800 . 17 1 1 A 84 84 LEU C C 84 178.200 178.912 -0.712 1
1 801 . 17 1 1 A 84 84 LEU CA C 84 57.000 57.963 -0.963 1
1 802 . 17 1 1 A 84 84 LEU CB C 84 40.800 41.297 -0.497 1
1 806 . 17 1 1 A 84 84 LEU N N 84 116.700 119.970 -3.270 1
1 807 . 17 1 1 A 85 85 GLN H H 85 7.130 7.654 -0.524 1
1 808 . 17 1 1 A 85 85 GLN HA H 85 4.140 4.114 0.026 1
1 815 . 17 1 1 A 85 85 GLN C C 85 176.300 176.980 -0.680 1
1 816 . 17 1 1 A 85 85 GLN CA C 85 57.900 58.223 -0.323 1
1 817 . 17 1 1 A 85 85 GLN CB C 85 28.900 28.692 0.208 1
1 819 . 17 1 1 A 85 85 GLN N N 85 115.400 116.608 -1.208 1
1 821 . 17 1 1 A 86 86 ASN H H 86 7.630 7.758 -0.128 1
1 822 . 17 1 1 A 86 86 ASN HA H 86 5.020 4.811 0.209 1
1 827 . 17 1 1 A 86 86 ASN C C 86 174.100 174.500 -0.400 1
1 828 . 17 1 1 A 86 86 ASN CA C 86 52.800 53.122 -0.322 1
1 829 . 17 1 1 A 86 86 ASN CB C 86 40.400 39.276 1.124 1
1 830 . 17 1 1 A 86 86 ASN N N 86 114.000 115.754 -1.754 1
1 832 . 17 1 1 A 87 87 ILE H H 87 7.300 7.851 -0.551 1
1 833 . 17 1 1 A 87 87 ILE HA H 87 4.320 4.748 -0.428 1
1 843 . 17 1 1 A 87 87 ILE C C 87 174.500 176.067 -1.567 1
1 844 . 17 1 1 A 87 87 ILE CA C 87 60.400 59.568 0.832 1
1 845 . 17 1 1 A 87 87 ILE CB C 87 40.600 41.348 -0.748 1
1 849 . 17 1 1 A 87 87 ILE N N 87 119.300 119.684 -0.384 1
1 850 . 17 1 1 A 88 88 HIS H H 88 9.140 8.935 0.205 1
1 851 . 17 1 1 A 88 88 HIS HA H 88 4.680 4.611 0.069 1
1 855 . 17 1 1 A 88 88 HIS CA C 88 57.300 58.002 -0.702 1
1 856 . 17 1 1 A 88 88 HIS CB C 88 30.200 31.934 -1.734 1
1 858 . 17 1 1 A 88 88 HIS N N 88 125.000 124.852 0.148 1
1 859 . 17 1 1 A 89 89 ALA H H 89 7.600 7.949 -0.349 1
1 860 . 17 1 1 A 89 89 ALA HA H 89 4.620 4.694 -0.074 1
1 864 . 17 1 1 A 89 89 ALA C C 89 174.300 175.881 -1.581 1
1 865 . 17 1 1 A 89 89 ALA CA C 89 52.300 51.476 0.824 1
1 866 . 17 1 1 A 89 89 ALA CB C 89 21.300 20.176 1.124 1
1 867 . 17 1 1 A 89 89 ALA N N 89 120.100 119.362 0.738 1
1 868 . 17 1 1 A 90 90 PHE H H 90 8.830 9.341 -0.511 1
1 869 . 17 1 1 A 90 90 PHE HA H 90 5.220 5.204 0.016 1
1 877 . 17 1 1 A 90 90 PHE C C 90 173.700 174.458 -0.758 1
1 878 . 17 1 1 A 90 90 PHE CA C 90 57.200 58.050 -0.850 1
1 879 . 17 1 1 A 90 90 PHE CB C 90 42.000 41.142 0.858 1
1 885 . 17 1 1 A 90 90 PHE N N 90 126.100 127.276 -1.176 1
1 886 . 17 1 1 A 91 91 SER H H 91 8.320 8.262 0.058 1
1 887 . 17 1 1 A 91 91 SER HA H 91 4.730 5.131 -0.401 1
1 891 . 17 1 1 A 91 91 SER C C 91 172.600 172.342 0.258 1
1 892 . 17 1 1 A 91 91 SER CA C 91 56.500 57.079 -0.579 1
1 893 . 17 1 1 A 91 91 SER CB C 91 64.100 66.375 -2.275 1
1 894 . 17 1 1 A 91 91 SER N N 91 123.100 122.704 0.396 1
1 895 . 17 1 1 A 92 92 MET H H 92 8.660 8.978 -0.318 1
1 896 . 17 1 1 A 92 92 MET HA H 92 5.490 5.340 0.150 1
1 901 . 17 1 1 A 92 92 MET C C 92 174.300 173.923 0.377 1
1 902 . 17 1 1 A 92 92 MET CA C 92 53.600 53.597 0.003 1
1 903 . 17 1 1 A 92 92 MET CB C 92 37.500 35.788 1.712 1
1 906 . 17 1 1 A 92 92 MET N N 92 119.600 118.778 0.822 1
1 907 . 17 1 1 A 93 93 LYS H H 93 8.190 8.880 -0.690 1
1 908 . 17 1 1 A 93 93 LYS HA H 93 4.450 4.955 -0.505 1
1 917 . 17 1 1 A 93 93 LYS C C 93 174.400 175.121 -0.721 1
1 918 . 17 1 1 A 93 93 LYS CA C 93 55.400 54.669 0.731 1
1 919 . 17 1 1 A 93 93 LYS CB C 93 34.700 34.699 0.001 1
1 923 . 17 1 1 A 93 93 LYS N N 93 122.700 119.704 2.996 1
1 924 . 17 1 1 A 94 94 CYS H H 94 8.340 9.010 -0.670 1
1 925 . 17 1 1 A 94 94 CYS HA H 94 4.960 4.928 0.032 1
1 928 . 17 1 1 A 94 94 CYS C C 94 173.600 174.140 -0.540 1
1 929 . 17 1 1 A 94 94 CYS CA C 94 56.600 58.276 -1.676 1
1 930 . 17 1 1 A 94 94 CYS CB C 94 29.800 28.555 1.245 1
1 931 . 17 1 1 A 94 94 CYS N N 94 120.300 125.844 -5.544 1
1 932 . 17 1 1 A 95 95 HIS H H 95 9.040 8.935 0.105 1
1 933 . 17 1 1 A 95 95 HIS HA H 95 5.440 5.047 0.393 1
1 936 . 17 1 1 A 95 95 HIS C C 95 175.700 173.422 2.278 1
1 937 . 17 1 1 A 95 95 HIS CA C 95 53.600 55.755 -2.155 1
1 938 . 17 1 1 A 95 95 HIS CB C 95 35.300 33.577 1.723 1
1 939 . 17 1 1 A 95 95 HIS N N 95 122.000 125.830 -3.830 1
1 940 . 17 1 1 A 96 96 THR H H 96 8.910 8.340 0.570 1
1 941 . 17 1 1 A 96 96 THR HA H 96 5.150 4.932 0.218 1
1 945 . 17 1 1 A 96 96 THR CA C 96 60.100 59.078 1.022 1
1 946 . 17 1 1 A 96 96 THR CB C 96 67.600 69.607 -2.007 1
1 948 . 17 1 1 A 96 96 THR N N 96 113.600 115.222 -1.622 1
1 949 . 17 1 1 A 97 97 PRO HA H 97 4.060 4.313 -0.253 1
1 956 . 17 1 1 A 97 97 PRO C C 97 178.600 178.738 -0.138 1
1 957 . 17 1 1 A 97 97 PRO CA C 97 66.600 66.074 0.526 1
1 958 . 17 1 1 A 97 97 PRO CB C 97 31.600 31.853 -0.253 1
1 961 . 17 1 1 A 98 98 LEU H H 98 8.410 7.565 0.845 1
1 962 . 17 1 1 A 98 98 LEU HA H 98 4.230 3.986 0.244 1
1 971 . 17 1 1 A 98 98 LEU C C 98 179.800 179.104 0.696 1
1 972 . 17 1 1 A 98 98 LEU CA C 98 58.200 57.353 0.847 1
1 973 . 17 1 1 A 98 98 LEU CB C 98 42.000 40.736 1.264 1
1 976 . 17 1 1 A 98 98 LEU N N 98 118.300 116.330 1.970 1
1 977 . 17 1 1 A 99 99 GLU H H 99 7.660 8.227 -0.567 1
1 978 . 17 1 1 A 99 99 GLU HA H 99 3.900 4.051 -0.151 1
1 983 . 17 1 1 A 99 99 GLU C C 99 180.200 178.849 1.351 1
1 984 . 17 1 1 A 99 99 GLU CA C 99 58.400 59.144 -0.744 1
1 985 . 17 1 1 A 99 99 GLU CB C 99 30.400 29.088 1.312 1
1 987 . 17 1 1 A 99 99 GLU N N 99 118.100 120.381 -2.281 1
1 988 . 17 1 1 A 100 100 TYR H H 100 8.770 8.435 0.335 1
1 989 . 17 1 1 A 100 100 TYR HA H 100 3.860 4.069 -0.209 1
1 996 . 17 1 1 A 100 100 TYR C C 100 176.800 177.264 -0.464 1
1 997 . 17 1 1 A 100 100 TYR CA C 100 60.800 61.205 -0.405 1
1 998 . 17 1 1 A 100 100 TYR CB C 100 39.200 38.529 0.671 1
1 1003 . 17 1 1 A 100 100 TYR N N 100 120.100 121.408 -1.308 1
1 1004 . 17 1 1 A 101 101 ASP H H 101 8.100 8.370 -0.270 1
1 1005 . 17 1 1 A 101 101 ASP HA H 101 4.180 4.099 0.081 1
1 1008 . 17 1 1 A 101 101 ASP C C 101 178.700 178.528 0.172 1
1 1009 . 17 1 1 A 101 101 ASP CA C 101 57.300 57.549 -0.249 1
1 1010 . 17 1 1 A 101 101 ASP CB C 101 40.800 41.966 -1.166 1
1 1011 . 17 1 1 A 101 101 ASP N N 101 118.400 119.157 -0.757 1
1 1012 . 17 1 1 A 102 102 LYS H H 102 7.480 7.702 -0.222 1
1 1013 . 17 1 1 A 102 102 LYS HA H 102 4.070 4.004 0.066 1
1 1020 . 17 1 1 A 102 102 LYS CA C 102 58.300 59.294 -0.994 1
1 1021 . 17 1 1 A 102 102 LYS CB C 102 32.300 32.322 -0.022 1
1 1024 . 17 1 1 A 102 102 LYS N N 102 117.500 118.560 -1.060 1
1 1025 . 17 1 1 A 103 103 LEU H H 103 7.580 7.785 -0.205 1
1 1026 . 17 1 1 A 103 103 LEU HA H 103 4.050 3.893 0.157 1
1 1036 . 17 1 1 A 103 103 LEU C C 103 178.700 179.285 -0.585 1
1 1037 . 17 1 1 A 103 103 LEU CA C 103 56.800 57.711 -0.911 1
1 1038 . 17 1 1 A 103 103 LEU CB C 103 42.000 41.285 0.715 1
1 1042 . 17 1 1 A 103 103 LEU N N 103 120.100 120.319 -0.219 1
1 1043 . 17 1 1 A 104 104 LYS H H 104 7.730 7.900 -0.170 1
1 1044 . 17 1 1 A 104 104 LYS HA H 104 3.960 3.949 0.011 1
1 1053 . 17 1 1 A 104 104 LYS CA C 104 56.700 58.039 -1.339 1
1 1054 . 17 1 1 A 104 104 LYS CB C 104 31.700 31.180 0.520 1
1 1058 . 17 1 1 A 104 104 LYS N N 104 118.500 118.500 0.000 1
1 1059 . 17 1 1 A 105 105 SER H H 105 7.790 7.609 0.181 1
1 1060 . 17 1 1 A 105 105 SER HA H 105 4.330 4.115 0.215 1
1 1063 . 17 1 1 A 105 105 SER C C 105 174.700 176.056 -1.356 1
1 1064 . 17 1 1 A 105 105 SER CA C 105 58.900 60.972 -2.072 1
1 1065 . 17 1 1 A 105 105 SER CB C 105 63.500 62.885 0.615 1
1 1066 . 17 1 1 A 105 105 SER N N 105 114.900 115.704 -0.804 1
1 1067 . 17 1 1 A 106 106 LYS H H 106 8.000 7.696 0.304 1
1 1068 . 17 1 1 A 106 106 LYS HA H 106 4.300 4.420 -0.120 1
1 1077 . 17 1 1 A 106 106 LYS C C 106 177.000 177.310 -0.310 1
1 1078 . 17 1 1 A 106 106 LYS CA C 106 56.600 56.297 0.303 1
1 1079 . 17 1 1 A 106 106 LYS CB C 106 32.800 34.506 -1.706 1
1 1081 . 17 1 1 A 106 106 LYS N N 106 122.400 115.295 7.105 1
1 1082 . 17 1 1 A 107 107 GLY H H 107 8.310 8.257 0.053 1
1 1083 . 17 1 1 A 107 107 GLY HA2 H 107 3.990 3.923 0.067 1
1 1084 . 17 1 1 A 107 107 GLY HA3 H 107 3.990 3.945 0.045 1
1 1085 . 17 1 1 A 107 107 GLY CA C 107 45.300 46.262 -0.962 1
1 1086 . 17 1 1 A 107 107 GLY N N 107 110.000 109.433 0.567 1
1 1 . 18 1 1 A 11 11 SER HA H 11 4.510 4.432 0.078 1
1 4 . 18 1 1 A 11 11 SER C C 11 174.600 174.468 0.132 1
1 5 . 18 1 1 A 11 11 SER CA C 11 58.400 57.203 1.197 1
1 6 . 18 1 1 A 11 11 SER CB C 11 63.800 63.420 0.380 1
1 7 . 18 1 1 A 12 12 SER H H 12 8.630 8.730 -0.100 1
1 8 . 18 1 1 A 12 12 SER HA H 12 4.500 4.984 -0.484 1
1 11 . 18 1 1 A 12 12 SER C C 12 175.000 175.142 -0.142 1
1 12 . 18 1 1 A 12 12 SER CA C 12 58.600 57.852 0.748 1
1 13 . 18 1 1 A 12 12 SER CB C 12 63.900 64.271 -0.371 1
1 14 . 18 1 1 A 12 12 SER N N 12 118.300 123.726 -5.426 1
1 15 . 18 1 1 A 13 13 GLY H H 13 8.560 8.427 0.133 1
1 16 . 18 1 1 A 13 13 GLY HA2 H 13 4.050 3.954 0.096 1
1 17 . 18 1 1 A 13 13 GLY HA3 H 13 4.050 3.961 0.089 1
1 18 . 18 1 1 A 13 13 GLY C C 13 174.300 174.847 -0.547 1
1 19 . 18 1 1 A 13 13 GLY CA C 13 45.400 45.798 -0.398 1
1 20 . 18 1 1 A 13 13 GLY N N 13 111.000 110.197 0.803 1
1 21 . 18 1 1 A 14 14 ARG H H 14 8.260 8.096 0.164 1
1 22 . 18 1 1 A 14 14 ARG HA H 14 4.320 4.262 0.058 1
1 29 . 18 1 1 A 14 14 ARG C C 14 176.400 178.024 -1.624 1
1 30 . 18 1 1 A 14 14 ARG CA C 14 56.300 59.042 -2.742 1
1 31 . 18 1 1 A 14 14 ARG CB C 14 30.600 30.988 -0.388 1
1 34 . 18 1 1 A 14 14 ARG N N 14 120.400 119.164 1.236 1
1 35 . 18 1 1 A 15 15 GLU H H 15 8.660 7.956 0.704 1
1 36 . 18 1 1 A 15 15 GLU HA H 15 4.210 4.615 -0.405 1
1 41 . 18 1 1 A 15 15 GLU C C 15 176.200 177.384 -1.184 1
1 42 . 18 1 1 A 15 15 GLU CA C 15 57.200 56.303 0.897 1
1 43 . 18 1 1 A 15 15 GLU CB C 15 29.700 29.075 0.625 1
1 45 . 18 1 1 A 15 15 GLU N N 15 121.100 117.389 3.711 1
1 46 . 18 1 1 A 16 16 ASN H H 16 8.420 8.665 -0.245 1
1 47 . 18 1 1 A 16 16 ASN HA H 16 4.680 4.565 0.115 1
1 52 . 18 1 1 A 16 16 ASN C C 16 175.100 176.018 -0.918 1
1 53 . 18 1 1 A 16 16 ASN CA C 16 53.300 55.046 -1.746 1
1 54 . 18 1 1 A 16 16 ASN CB C 16 38.700 36.612 2.088 1
1 55 . 18 1 1 A 16 16 ASN N N 16 118.900 118.900 0.000 1
1 57 . 18 1 1 A 17 17 LEU H H 17 8.110 7.698 0.412 1
1 58 . 18 1 1 A 17 17 LEU HA H 17 4.210 4.263 -0.053 1
1 68 . 18 1 1 A 17 17 LEU C C 17 177.000 176.815 0.185 1
1 69 . 18 1 1 A 17 17 LEU CA C 17 55.600 55.182 0.418 1
1 70 . 18 1 1 A 17 17 LEU CB C 17 42.200 41.798 0.402 1
1 74 . 18 1 1 A 17 17 LEU N N 17 121.900 117.316 4.584 1
1 75 . 18 1 1 A 18 18 TYR H H 18 8.070 7.633 0.437 1
1 76 . 18 1 1 A 18 18 TYR HA H 18 4.530 5.002 -0.472 1
1 83 . 18 1 1 A 18 18 TYR C C 18 175.700 175.874 -0.174 1
1 84 . 18 1 1 A 18 18 TYR CA C 18 58.000 57.571 0.429 1
1 85 . 18 1 1 A 18 18 TYR CB C 18 38.700 40.590 -1.890 1
1 90 . 18 1 1 A 18 18 TYR N N 18 119.500 119.465 0.035 1
1 91 . 18 1 1 A 19 19 PHE H H 19 8.120 8.673 -0.553 1
1 92 . 18 1 1 A 19 19 PHE HA H 19 4.560 4.944 -0.384 1
1 99 . 18 1 1 A 19 19 PHE C C 19 175.500 177.158 -1.658 1
1 100 . 18 1 1 A 19 19 PHE CA C 19 57.900 56.946 0.954 1
1 101 . 18 1 1 A 19 19 PHE CB C 19 39.500 40.898 -1.398 1
1 106 . 18 1 1 A 19 19 PHE N N 19 121.200 118.552 2.648 1
1 107 . 18 1 1 A 20 20 GLN H H 20 8.300 7.787 0.513 1
1 108 . 18 1 1 A 20 20 GLN HA H 20 4.200 3.712 0.488 1
1 115 . 18 1 1 A 20 20 GLN C C 20 176.000 175.618 0.382 1
1 116 . 18 1 1 A 20 20 GLN CA C 20 56.100 58.495 -2.395 1
1 117 . 18 1 1 A 20 20 GLN CB C 20 29.100 26.705 2.395 1
1 119 . 18 1 1 A 20 20 GLN N N 20 121.700 113.697 8.003 1
1 121 . 18 1 1 A 21 21 GLY H H 21 7.970 8.562 -0.592 1
1 122 . 18 1 1 A 21 21 GLY HA2 H 21 3.940 4.140 -0.200 1
1 123 . 18 1 1 A 21 21 GLY HA3 H 21 3.830 4.152 -0.322 1
1 124 . 18 1 1 A 21 21 GLY CA C 21 45.400 45.674 -0.274 1
1 125 . 18 1 1 A 21 21 GLY N N 21 108.500 107.063 1.437 1
1 126 . 18 1 1 A 22 22 HIS H H 22 8.280 8.002 0.278 1
1 127 . 18 1 1 A 22 22 HIS C C 22 174.000 173.517 0.483 1
1 128 . 18 1 1 A 22 22 HIS CA C 22 56.000 56.147 -0.147 1
1 129 . 18 1 1 A 22 22 HIS CB C 22 29.900 33.137 -3.237 1
1 130 . 18 1 1 A 22 22 HIS N N 22 118.700 118.001 0.699 1
1 134 . 18 1 1 A 23 23 MET C C 23 175.900 176.061 -0.161 1
1 135 . 18 1 1 A 23 23 MET CB C 23 32.700 31.779 0.921 1
1 137 . 18 1 1 A 24 24 CYS H H 24 8.390 8.774 -0.384 1
1 138 . 18 1 1 A 24 24 CYS HA H 24 4.620 4.540 0.080 1
1 141 . 18 1 1 A 24 24 CYS C C 24 175.400 175.998 -0.598 1
1 142 . 18 1 1 A 24 24 CYS CA C 24 58.000 59.069 -1.069 1
1 143 . 18 1 1 A 24 24 CYS CB C 24 27.900 28.320 -0.420 1
1 144 . 18 1 1 A 24 24 CYS N N 24 120.600 122.949 -2.349 1
1 145 . 18 1 1 A 25 25 ILE H H 25 8.550 8.774 -0.224 1
1 146 . 18 1 1 A 25 25 ILE HA H 25 4.010 3.909 0.101 1
1 156 . 18 1 1 A 25 25 ILE C C 25 176.200 176.946 -0.746 1
1 157 . 18 1 1 A 25 25 ILE CA C 25 63.400 64.235 -0.835 1
1 158 . 18 1 1 A 25 25 ILE CB C 25 38.100 37.780 0.320 1
1 162 . 18 1 1 A 25 25 ILE N N 25 124.600 126.802 -2.202 1
1 163 . 18 1 1 A 26 26 GLN H H 26 8.860 8.220 0.640 1
1 164 . 18 1 1 A 26 26 GLN HA H 26 3.340 3.624 -0.284 1
1 171 . 18 1 1 A 26 26 GLN C C 26 176.800 178.988 -2.188 1
1 172 . 18 1 1 A 26 26 GLN CA C 26 60.200 59.020 1.180 1
1 173 . 18 1 1 A 26 26 GLN CB C 26 27.800 28.089 -0.289 1
1 175 . 18 1 1 A 26 26 GLN N N 26 121.900 121.395 0.505 1
1 177 . 18 1 1 A 27 27 LYS H H 27 7.340 7.545 -0.205 1
1 178 . 18 1 1 A 27 27 LYS HA H 27 4.070 4.039 0.031 1
1 181 . 18 1 1 A 27 27 LYS C C 27 177.900 178.952 -1.052 1
1 182 . 18 1 1 A 27 27 LYS CA C 27 58.300 57.847 0.453 1
1 183 . 18 1 1 A 27 27 LYS CB C 27 31.800 32.328 -0.528 1
1 187 . 18 1 1 A 27 27 LYS N N 27 117.700 118.489 -0.789 1
1 188 . 18 1 1 A 28 28 VAL H H 28 7.570 7.703 -0.133 1
1 189 . 18 1 1 A 28 28 VAL HA H 28 3.680 3.497 0.183 1
1 197 . 18 1 1 A 28 28 VAL C C 28 178.600 177.929 0.671 1
1 198 . 18 1 1 A 28 28 VAL CA C 28 66.400 66.175 0.225 1
1 199 . 18 1 1 A 28 28 VAL CB C 28 31.800 31.579 0.221 1
1 202 . 18 1 1 A 28 28 VAL N N 28 119.900 119.423 0.477 1
1 203 . 18 1 1 A 29 29 ILE H H 29 8.180 7.981 0.199 1
1 204 . 18 1 1 A 29 29 ILE HA H 29 3.290 3.990 -0.700 1
1 212 . 18 1 1 A 29 29 ILE C C 29 177.500 178.046 -0.546 1
1 213 . 18 1 1 A 29 29 ILE CA C 29 65.900 65.644 0.256 1
1 214 . 18 1 1 A 29 29 ILE CB C 29 37.600 37.537 0.063 1
1 218 . 18 1 1 A 29 29 ILE N N 29 118.500 119.912 -1.412 1
1 219 . 18 1 1 A 30 30 GLU H H 30 8.370 8.624 -0.254 1
1 220 . 18 1 1 A 30 30 GLU HA H 30 3.610 3.807 -0.197 1
1 225 . 18 1 1 A 30 30 GLU C C 30 179.000 178.321 0.679 1
1 226 . 18 1 1 A 30 30 GLU CA C 30 60.400 59.892 0.508 1
1 227 . 18 1 1 A 30 30 GLU CB C 30 29.600 29.181 0.419 1
1 229 . 18 1 1 A 30 30 GLU N N 30 119.200 120.354 -1.154 1
1 230 . 18 1 1 A 31 31 ASP H H 31 8.710 8.470 0.240 1
1 231 . 18 1 1 A 31 31 ASP HA H 31 4.370 4.277 0.093 1
1 234 . 18 1 1 A 31 31 ASP CA C 31 57.600 57.358 0.242 1
1 235 . 18 1 1 A 31 31 ASP CB C 31 40.200 41.645 -1.445 1
1 236 . 18 1 1 A 31 31 ASP N N 31 125.100 120.076 5.024 1
1 237 . 18 1 1 A 32 32 LYS H H 32 8.430 7.437 0.993 1
1 238 . 18 1 1 A 32 32 LYS HA H 32 4.030 4.010 0.020 1
1 243 . 18 1 1 A 32 32 LYS C C 32 180.300 179.804 0.496 1
1 244 . 18 1 1 A 32 32 LYS CA C 32 60.400 59.384 1.016 1
1 245 . 18 1 1 A 32 32 LYS CB C 32 33.100 32.108 0.992 1
1 248 . 18 1 1 A 32 32 LYS N N 32 120.700 118.449 2.251 1
1 249 . 18 1 1 A 33 33 LEU H H 33 8.580 7.711 0.869 1
1 250 . 18 1 1 A 33 33 LEU HA H 33 4.000 4.003 -0.003 1
1 260 . 18 1 1 A 33 33 LEU C C 33 179.200 178.780 0.420 1
1 261 . 18 1 1 A 33 33 LEU CA C 33 58.000 57.802 0.198 1
1 262 . 18 1 1 A 33 33 LEU CB C 33 42.500 41.097 1.403 1
1 266 . 18 1 1 A 33 33 LEU N N 33 117.200 118.942 -1.742 1
1 267 . 18 1 1 A 34 34 SER H H 34 8.670 7.978 0.692 1
1 268 . 18 1 1 A 34 34 SER HA H 34 4.100 4.147 -0.047 1
1 271 . 18 1 1 A 34 34 SER C C 34 176.900 177.317 -0.417 1
1 272 . 18 1 1 A 34 34 SER CA C 34 62.500 61.516 0.984 1
1 273 . 18 1 1 A 34 34 SER CB C 34 62.500 62.861 -0.361 1
1 274 . 18 1 1 A 34 34 SER N N 34 115.500 115.457 0.043 1
1 275 . 18 1 1 A 35 35 SER H H 35 8.080 8.056 0.024 1
1 276 . 18 1 1 A 35 35 SER HA H 35 4.200 4.177 0.023 1
1 279 . 18 1 1 A 35 35 SER C C 35 175.900 175.974 -0.074 1
1 280 . 18 1 1 A 35 35 SER CA C 35 60.900 61.395 -0.495 1
1 281 . 18 1 1 A 35 35 SER CB C 35 62.900 63.220 -0.320 1
1 282 . 18 1 1 A 35 35 SER N N 35 115.300 116.661 -1.361 1
1 283 . 18 1 1 A 36 36 ALA H H 36 7.570 7.812 -0.242 1
1 284 . 18 1 1 A 36 36 ALA HA H 36 4.340 4.181 0.159 1
1 288 . 18 1 1 A 36 36 ALA C C 36 179.200 179.181 0.019 1
1 289 . 18 1 1 A 36 36 ALA CA C 36 54.300 54.515 -0.215 1
1 290 . 18 1 1 A 36 36 ALA CB C 36 20.900 18.871 2.029 1
1 291 . 18 1 1 A 36 36 ALA N N 36 119.000 123.444 -4.444 1
1 292 . 18 1 1 A 37 37 LEU H H 37 7.960 7.721 0.239 1
1 293 . 18 1 1 A 37 37 LEU HA H 37 4.530 4.428 0.102 1
1 303 . 18 1 1 A 37 37 LEU CA C 37 53.500 55.391 -1.891 1
1 304 . 18 1 1 A 37 37 LEU CB C 37 42.600 43.047 -0.447 1
1 308 . 18 1 1 A 37 37 LEU N N 37 111.800 115.288 -3.488 1
1 309 . 18 1 1 A 38 38 LYS H H 38 7.600 7.807 -0.207 1
1 310 . 18 1 1 A 38 38 LYS HA H 38 4.250 4.130 0.120 1
1 313 . 18 1 1 A 38 38 LYS CA C 38 56.200 56.604 -0.404 1
1 314 . 18 1 1 A 38 38 LYS CB C 38 30.800 31.327 -0.527 1
1 315 . 18 1 1 A 38 38 LYS N N 38 117.200 116.122 1.078 1
1 316 . 18 1 1 A 39 39 PRO HA H 39 4.670 4.605 0.065 1
1 323 . 18 1 1 A 39 39 PRO C C 39 178.100 176.890 1.210 1
1 324 . 18 1 1 A 39 39 PRO CA C 39 63.300 62.182 1.118 1
1 325 . 18 1 1 A 39 39 PRO CB C 39 32.700 32.523 0.177 1
1 328 . 18 1 1 A 40 40 THR H H 40 8.500 8.660 -0.160 1
1 329 . 18 1 1 A 40 40 THR HA H 40 4.290 4.267 0.023 1
1 334 . 18 1 1 A 40 40 THR C C 40 175.700 174.648 1.052 1
1 335 . 18 1 1 A 40 40 THR CA C 40 63.200 63.385 -0.185 1
1 336 . 18 1 1 A 40 40 THR CB C 40 67.600 69.260 -1.660 1
1 338 . 18 1 1 A 40 40 THR N N 40 114.500 111.146 3.354 1
1 339 . 18 1 1 A 41 41 PHE H H 41 7.300 7.597 -0.297 1
1 340 . 18 1 1 A 41 41 PHE HA H 41 4.510 4.664 -0.154 1
1 347 . 18 1 1 A 41 41 PHE C C 41 171.500 172.871 -1.371 1
1 348 . 18 1 1 A 41 41 PHE CA C 41 58.800 56.764 2.036 1
1 349 . 18 1 1 A 41 41 PHE CB C 41 41.000 42.166 -1.166 1
1 354 . 18 1 1 A 41 41 PHE N N 41 121.100 121.443 -0.343 1
1 355 . 18 1 1 A 42 42 LEU H H 42 7.530 8.428 -0.898 1
1 356 . 18 1 1 A 42 42 LEU HA H 42 4.910 4.998 -0.088 1
1 366 . 18 1 1 A 42 42 LEU C C 42 173.700 173.493 0.207 1
1 367 . 18 1 1 A 42 42 LEU CA C 42 53.500 53.624 -0.124 1
1 368 . 18 1 1 A 42 42 LEU CB C 42 45.300 45.652 -0.352 1
1 372 . 18 1 1 A 42 42 LEU N N 42 129.100 129.149 -0.049 1
1 373 . 18 1 1 A 43 43 GLU H H 43 8.690 8.901 -0.211 1
1 374 . 18 1 1 A 43 43 GLU HA H 43 4.400 4.858 -0.458 1
1 379 . 18 1 1 A 43 43 GLU C C 43 173.500 174.760 -1.260 1
1 380 . 18 1 1 A 43 43 GLU CA C 43 55.800 54.394 1.406 1
1 381 . 18 1 1 A 43 43 GLU CB C 43 34.100 32.725 1.375 1
1 383 . 18 1 1 A 43 43 GLU N N 43 126.900 128.042 -1.142 1
1 384 . 18 1 1 A 44 44 LEU H H 44 9.000 9.027 -0.027 1
1 385 . 18 1 1 A 44 44 LEU HA H 44 5.130 5.069 0.061 1
1 395 . 18 1 1 A 44 44 LEU C C 44 175.100 176.055 -0.955 1
1 396 . 18 1 1 A 44 44 LEU CA C 44 53.700 53.340 0.360 1
1 397 . 18 1 1 A 44 44 LEU CB C 44 44.600 42.969 1.631 1
1 401 . 18 1 1 A 44 44 LEU N N 44 129.900 128.323 1.577 1
1 402 . 18 1 1 A 45 45 VAL H H 45 9.000 9.098 -0.098 1
1 403 . 18 1 1 A 45 45 VAL HA H 45 4.370 4.582 -0.212 1
1 411 . 18 1 1 A 45 45 VAL C C 45 175.100 174.372 0.728 1
1 412 . 18 1 1 A 45 45 VAL CA C 45 61.200 60.986 0.214 1
1 413 . 18 1 1 A 45 45 VAL CB C 45 35.400 34.649 0.751 1
1 416 . 18 1 1 A 45 45 VAL N N 45 122.300 125.323 -3.023 1
1 417 . 18 1 1 A 46 46 ASP H H 46 9.080 8.861 0.219 1
1 418 . 18 1 1 A 46 46 ASP HA H 46 4.530 4.956 -0.426 1
1 421 . 18 1 1 A 46 46 ASP C C 46 176.900 174.747 2.153 1
1 422 . 18 1 1 A 46 46 ASP CA C 46 53.900 53.813 0.087 1
1 423 . 18 1 1 A 46 46 ASP CB C 46 40.600 41.525 -0.925 1
1 424 . 18 1 1 A 46 46 ASP N N 46 127.400 127.959 -0.559 1
1 425 . 18 1 1 A 47 47 LYS H H 47 8.490 9.312 -0.822 1
1 426 . 18 1 1 A 47 47 LYS HA H 47 4.560 4.619 -0.059 1
1 427 . 18 1 1 A 47 47 LYS CA C 47 54.200 55.126 -0.926 1
1 428 . 18 1 1 A 47 47 LYS CB C 47 30.400 32.469 -2.069 1
1 429 . 18 1 1 A 47 47 LYS N N 47 129.500 127.156 2.344 1
1 430 . 18 1 1 A 54 54 SER HA H 54 5.550 4.848 0.702 1
1 433 . 18 1 1 A 54 54 SER C C 54 172.900 172.859 0.041 1
1 434 . 18 1 1 A 54 54 SER CA C 54 57.300 57.367 -0.067 1
1 435 . 18 1 1 A 54 54 SER CB C 54 65.800 66.050 -0.250 1
1 436 . 18 1 1 A 55 55 PHE H H 55 8.340 9.049 -0.709 1
1 437 . 18 1 1 A 55 55 PHE HA H 55 5.700 5.164 0.536 1
1 442 . 18 1 1 A 55 55 PHE C C 55 174.400 173.755 0.645 1
1 443 . 18 1 1 A 55 55 PHE CA C 55 56.700 56.267 0.433 1
1 444 . 18 1 1 A 55 55 PHE CB C 55 45.300 41.772 3.528 1
1 447 . 18 1 1 A 55 55 PHE N N 55 119.600 123.994 -4.394 1
1 448 . 18 1 1 A 56 56 ASP H H 56 8.840 9.323 -0.483 1
1 449 . 18 1 1 A 56 56 ASP HA H 56 5.350 5.272 0.078 1
1 452 . 18 1 1 A 56 56 ASP C C 56 174.400 174.435 -0.035 1
1 453 . 18 1 1 A 56 56 ASP CA C 56 52.900 52.385 0.515 1
1 454 . 18 1 1 A 56 56 ASP CB C 56 43.700 42.578 1.122 1
1 455 . 18 1 1 A 56 56 ASP N N 56 121.500 124.320 -2.820 1
1 456 . 18 1 1 A 57 57 ALA H H 57 8.780 8.875 -0.095 1
1 457 . 18 1 1 A 57 57 ALA HA H 57 5.620 5.205 0.415 1
1 461 . 18 1 1 A 57 57 ALA C C 57 176.400 175.632 0.768 1
1 462 . 18 1 1 A 57 57 ALA CA C 57 50.200 50.142 0.058 1
1 463 . 18 1 1 A 57 57 ALA CB C 57 23.600 20.766 2.834 1
1 464 . 18 1 1 A 57 57 ALA N N 57 125.000 129.431 -4.431 1
1 465 . 18 1 1 A 58 58 VAL H H 58 9.080 8.879 0.201 1
1 466 . 18 1 1 A 58 58 VAL HA H 58 4.580 4.408 0.172 1
1 474 . 18 1 1 A 58 58 VAL C C 58 175.000 174.438 0.562 1
1 475 . 18 1 1 A 58 58 VAL CA C 58 62.800 62.388 0.412 1
1 476 . 18 1 1 A 58 58 VAL CB C 58 34.100 31.467 2.633 1
1 479 . 18 1 1 A 58 58 VAL N N 58 125.100 123.509 1.591 1
1 480 . 18 1 1 A 59 59 ILE H H 59 8.750 9.171 -0.421 1
1 481 . 18 1 1 A 59 59 ILE HA H 59 4.430 4.931 -0.501 1
1 489 . 18 1 1 A 59 59 ILE C C 59 173.900 173.768 0.132 1
1 490 . 18 1 1 A 59 59 ILE CA C 59 60.900 60.055 0.845 1
1 491 . 18 1 1 A 59 59 ILE CB C 59 41.100 40.524 0.576 1
1 495 . 18 1 1 A 59 59 ILE N N 59 125.000 129.511 -4.511 1
1 496 . 18 1 1 A 60 60 VAL H H 60 8.540 9.133 -0.593 1
1 497 . 18 1 1 A 60 60 VAL HA H 60 5.540 5.476 0.064 1
1 505 . 18 1 1 A 60 60 VAL C C 60 175.900 174.899 1.001 1
1 506 . 18 1 1 A 60 60 VAL CA C 60 60.200 61.030 -0.830 1
1 507 . 18 1 1 A 60 60 VAL CB C 60 31.800 32.501 -0.701 1
1 510 . 18 1 1 A 60 60 VAL N N 60 128.600 131.914 -3.314 1
1 511 . 18 1 1 A 61 61 SER H H 61 8.720 8.661 0.059 1
1 512 . 18 1 1 A 61 61 SER HA H 61 5.000 5.153 -0.153 1
1 515 . 18 1 1 A 61 61 SER C C 61 175.700 174.005 1.695 1
1 516 . 18 1 1 A 61 61 SER CA C 61 56.500 56.566 -0.066 1
1 517 . 18 1 1 A 61 61 SER CB C 61 64.400 65.268 -0.868 1
1 518 . 18 1 1 A 61 61 SER N N 61 115.900 121.668 -5.768 1
1 519 . 18 1 1 A 62 62 ASN H H 62 9.650 9.173 0.477 1
1 520 . 18 1 1 A 62 62 ASN HA H 62 4.670 4.542 0.128 1
1 525 . 18 1 1 A 62 62 ASN CA C 62 56.500 55.668 0.832 1
1 526 . 18 1 1 A 62 62 ASN CB C 62 38.600 38.107 0.493 1
1 528 . 18 1 1 A 62 62 ASN N N 62 129.400 124.355 5.045 1
1 530 . 18 1 1 A 63 63 ASN H H 63 8.920 8.113 0.807 1
1 531 . 18 1 1 A 63 63 ASN HA H 63 4.490 4.542 -0.052 1
1 536 . 18 1 1 A 63 63 ASN C C 63 175.200 176.738 -1.538 1
1 537 . 18 1 1 A 63 63 ASN CA C 63 55.700 55.451 0.249 1
1 538 . 18 1 1 A 63 63 ASN CB C 63 37.600 38.482 -0.882 1
1 539 . 18 1 1 A 63 63 ASN N N 63 119.500 118.539 0.961 1
1 541 . 18 1 1 A 64 64 PHE H H 64 6.950 7.813 -0.863 1
1 542 . 18 1 1 A 64 64 PHE HA H 64 4.690 4.527 0.163 1
1 545 . 18 1 1 A 64 64 PHE C C 64 174.200 176.599 -2.399 1
1 546 . 18 1 1 A 64 64 PHE CA C 64 54.900 58.991 -4.091 1
1 547 . 18 1 1 A 64 64 PHE CB C 64 37.500 39.457 -1.957 1
1 548 . 18 1 1 A 64 64 PHE N N 64 113.700 120.066 -6.366 1
1 549 . 18 1 1 A 65 65 GLU H H 65 7.470 8.168 -0.698 1
1 550 . 18 1 1 A 65 65 GLU HA H 65 4.010 4.056 -0.046 1
1 555 . 18 1 1 A 65 65 GLU C C 65 174.800 178.403 -3.603 1
1 556 . 18 1 1 A 65 65 GLU CA C 65 58.400 59.224 -0.824 1
1 557 . 18 1 1 A 65 65 GLU CB C 65 29.700 29.222 0.478 1
1 559 . 18 1 1 A 65 65 GLU N N 65 120.500 119.420 1.080 1
1 560 . 18 1 1 A 66 66 ASP H H 66 9.010 7.911 1.099 1
1 561 . 18 1 1 A 66 66 ASP HA H 66 4.390 4.562 -0.172 1
1 564 . 18 1 1 A 66 66 ASP C C 66 175.000 175.243 -0.243 1
1 565 . 18 1 1 A 66 66 ASP CA C 66 55.800 54.009 1.791 1
1 566 . 18 1 1 A 66 66 ASP CB C 66 39.800 40.882 -1.082 1
1 567 . 18 1 1 A 66 66 ASP N N 66 119.200 116.902 2.298 1
1 568 . 18 1 1 A 67 67 LYS H H 67 7.800 7.422 0.378 1
1 569 . 18 1 1 A 67 67 LYS C C 67 177.400 175.132 2.268 1
1 570 . 18 1 1 A 67 67 LYS CA C 67 54.700 56.980 -2.280 1
1 571 . 18 1 1 A 67 67 LYS CB C 67 38.400 28.679 9.721 1
1 575 . 18 1 1 A 67 67 LYS N N 67 117.200 115.738 1.462 1
1 576 . 18 1 1 A 68 68 LYS H H 68 9.340 8.096 1.244 1
1 577 . 18 1 1 A 68 68 LYS HA H 68 4.400 4.471 -0.071 1
1 586 . 18 1 1 A 68 68 LYS C C 68 177.500 177.398 0.102 1
1 587 . 18 1 1 A 68 68 LYS CA C 68 55.900 54.648 1.252 1
1 588 . 18 1 1 A 68 68 LYS CB C 68 32.700 30.999 1.701 1
1 592 . 18 1 1 A 68 68 LYS N N 68 125.800 119.690 6.110 1
1 593 . 18 1 1 A 69 69 LEU H H 69 8.710 8.394 0.316 1
1 594 . 18 1 1 A 69 69 LEU HA H 69 3.630 4.297 -0.667 1
1 603 . 18 1 1 A 69 69 LEU C C 69 178.400 178.783 -0.383 1
1 604 . 18 1 1 A 69 69 LEU CA C 69 60.300 58.060 2.240 1
1 605 . 18 1 1 A 69 69 LEU CB C 69 41.600 41.499 0.101 1
1 608 . 18 1 1 A 69 69 LEU N N 69 124.300 124.669 -0.369 1
1 609 . 18 1 1 A 70 70 LEU H H 70 8.700 8.117 0.583 1
1 610 . 18 1 1 A 70 70 LEU HA H 70 3.930 4.042 -0.112 1
1 620 . 18 1 1 A 70 70 LEU C C 70 179.400 178.821 0.579 1
1 621 . 18 1 1 A 70 70 LEU CA C 70 58.200 58.206 -0.006 1
1 622 . 18 1 1 A 70 70 LEU CB C 70 41.700 41.113 0.587 1
1 626 . 18 1 1 A 70 70 LEU N N 70 116.100 119.023 -2.923 1
1 627 . 18 1 1 A 71 71 ASP H H 71 7.130 8.377 -1.247 1
1 628 . 18 1 1 A 71 71 ASP HA H 71 4.660 4.428 0.232 1
1 631 . 18 1 1 A 71 71 ASP C C 71 179.000 178.962 0.038 1
1 632 . 18 1 1 A 71 71 ASP CA C 71 57.100 57.406 -0.306 1
1 633 . 18 1 1 A 71 71 ASP CB C 71 40.800 40.230 0.570 1
1 634 . 18 1 1 A 71 71 ASP N N 71 117.600 119.594 -1.994 1
1 635 . 18 1 1 A 72 72 ARG H H 72 8.190 8.056 0.134 1
1 636 . 18 1 1 A 72 72 ARG HA H 72 3.930 4.135 -0.205 1
1 637 . 18 1 1 A 72 72 ARG C C 72 177.000 178.435 -1.435 1
1 638 . 18 1 1 A 72 72 ARG CA C 72 60.100 58.673 1.427 1
1 639 . 18 1 1 A 72 72 ARG CB C 72 29.300 29.818 -0.518 1
1 642 . 18 1 1 A 72 72 ARG N N 72 122.200 118.179 4.021 1
1 643 . 18 1 1 A 73 73 HIS H H 73 8.030 7.986 0.044 1
1 644 . 18 1 1 A 73 73 HIS HA H 73 4.100 4.261 -0.161 1
1 648 . 18 1 1 A 73 73 HIS C C 73 177.300 177.323 -0.023 1
1 649 . 18 1 1 A 73 73 HIS CA C 73 58.100 59.732 -1.632 1
1 650 . 18 1 1 A 73 73 HIS CB C 73 30.200 29.911 0.289 1
1 652 . 18 1 1 A 73 73 HIS N N 73 116.800 120.377 -3.577 1
1 653 . 18 1 1 A 74 74 ARG H H 74 8.290 8.251 0.039 1
1 654 . 18 1 1 A 74 74 ARG HA H 74 4.080 3.892 0.188 1
1 661 . 18 1 1 A 74 74 ARG C C 74 178.700 178.726 -0.026 1
1 662 . 18 1 1 A 74 74 ARG CA C 74 59.700 58.925 0.775 1
1 663 . 18 1 1 A 74 74 ARG CB C 74 30.400 29.839 0.561 1
1 666 . 18 1 1 A 74 74 ARG N N 74 118.200 118.486 -0.286 1
1 667 . 18 1 1 A 75 75 LEU H H 75 7.740 7.862 -0.122 1
1 668 . 18 1 1 A 75 75 LEU HA H 75 4.270 4.000 0.270 1
1 678 . 18 1 1 A 75 75 LEU CA C 75 58.300 58.034 0.266 1
1 679 . 18 1 1 A 75 75 LEU CB C 75 42.000 41.963 0.037 1
1 683 . 18 1 1 A 75 75 LEU N N 75 121.200 121.316 -0.116 1
1 684 . 18 1 1 A 76 76 VAL H H 76 7.590 8.278 -0.688 1
1 685 . 18 1 1 A 76 76 VAL HA H 76 3.360 3.697 -0.337 1
1 693 . 18 1 1 A 76 76 VAL C C 76 176.800 177.542 -0.742 1
1 694 . 18 1 1 A 76 76 VAL CA C 76 67.500 64.963 2.537 1
1 695 . 18 1 1 A 76 76 VAL CB C 76 31.500 31.031 0.469 1
1 698 . 18 1 1 A 76 76 VAL N N 76 119.300 119.067 0.233 1
1 699 . 18 1 1 A 77 77 ASN H H 77 8.690 8.103 0.587 1
1 700 . 18 1 1 A 77 77 ASN HA H 77 4.190 4.403 -0.213 1
1 705 . 18 1 1 A 77 77 ASN C C 77 178.000 178.106 -0.106 1
1 706 . 18 1 1 A 77 77 ASN CA C 77 55.400 56.048 -0.648 1
1 707 . 18 1 1 A 77 77 ASN CB C 77 37.600 37.998 -0.398 1
1 708 . 18 1 1 A 77 77 ASN N N 77 117.100 120.080 -2.980 1
1 710 . 18 1 1 A 78 78 THR H H 78 8.050 7.868 0.182 1
1 711 . 18 1 1 A 78 78 THR HA H 78 3.970 3.909 0.061 1
1 716 . 18 1 1 A 78 78 THR C C 78 176.900 176.024 0.876 1
1 717 . 18 1 1 A 78 78 THR CA C 78 66.700 67.275 -0.575 1
1 718 . 18 1 1 A 78 78 THR CB C 78 68.800 68.737 0.063 1
1 720 . 18 1 1 A 78 78 THR N N 78 116.300 117.505 -1.205 1
1 721 . 18 1 1 A 79 79 ILE H H 79 8.020 7.550 0.470 1
1 722 . 18 1 1 A 79 79 ILE HA H 79 3.670 3.848 -0.178 1
1 730 . 18 1 1 A 79 79 ILE CA C 79 65.000 63.933 1.067 1
1 731 . 18 1 1 A 79 79 ILE CB C 79 38.500 38.220 0.280 1
1 734 . 18 1 1 A 79 79 ILE N N 79 124.800 120.239 4.561 1
1 735 . 18 1 1 A 80 80 LEU H H 80 7.770 8.201 -0.431 1
1 745 . 18 1 1 A 80 80 LEU C C 80 176.000 178.548 -2.548 1
1 746 . 18 1 1 A 80 80 LEU CA C 80 52.900 55.272 -2.372 1
1 747 . 18 1 1 A 80 80 LEU CB C 80 41.100 41.364 -0.264 1
1 751 . 18 1 1 A 80 80 LEU N N 80 115.200 119.504 -4.304 1
1 752 . 18 1 1 A 81 81 LYS H H 81 6.880 7.662 -0.782 1
1 753 . 18 1 1 A 81 81 LYS HA H 81 3.820 3.935 -0.115 1
1 762 . 18 1 1 A 81 81 LYS C C 81 178.400 179.051 -0.651 1
1 763 . 18 1 1 A 81 81 LYS CA C 81 60.700 59.799 0.901 1
1 764 . 18 1 1 A 81 81 LYS CB C 81 32.800 32.464 0.336 1
1 768 . 18 1 1 A 81 81 LYS N N 81 120.300 120.749 -0.449 1
1 769 . 18 1 1 A 82 82 GLU H H 82 8.620 8.169 0.451 1
1 770 . 18 1 1 A 82 82 GLU HA H 82 4.020 4.092 -0.072 1
1 773 . 18 1 1 A 82 82 GLU C C 82 178.500 178.946 -0.446 1
1 774 . 18 1 1 A 82 82 GLU CA C 82 59.000 59.287 -0.287 1
1 775 . 18 1 1 A 82 82 GLU CB C 82 28.700 29.068 -0.368 1
1 777 . 18 1 1 A 82 82 GLU N N 82 116.700 118.178 -1.478 1
1 778 . 18 1 1 A 83 83 GLU H H 83 8.070 7.770 0.300 1
1 779 . 18 1 1 A 83 83 GLU HA H 83 3.980 3.959 0.021 1
1 784 . 18 1 1 A 83 83 GLU C C 83 179.300 178.875 0.425 1
1 785 . 18 1 1 A 83 83 GLU CA C 83 60.900 59.202 1.698 1
1 786 . 18 1 1 A 83 83 GLU CB C 83 28.900 29.390 -0.490 1
1 788 . 18 1 1 A 83 83 GLU N N 83 120.300 119.997 0.303 1
1 789 . 18 1 1 A 84 84 LEU H H 84 8.480 8.406 0.074 1
1 790 . 18 1 1 A 84 84 LEU HA H 84 3.910 3.923 -0.013 1
1 800 . 18 1 1 A 84 84 LEU C C 84 178.200 179.206 -1.006 1
1 801 . 18 1 1 A 84 84 LEU CA C 84 57.000 58.065 -1.065 1
1 802 . 18 1 1 A 84 84 LEU CB C 84 40.800 41.289 -0.489 1
1 806 . 18 1 1 A 84 84 LEU N N 84 116.700 120.030 -3.330 1
1 807 . 18 1 1 A 85 85 GLN H H 85 7.130 7.511 -0.381 1
1 808 . 18 1 1 A 85 85 GLN HA H 85 4.140 4.058 0.082 1
1 815 . 18 1 1 A 85 85 GLN C C 85 176.300 177.007 -0.707 1
1 816 . 18 1 1 A 85 85 GLN CA C 85 57.900 58.498 -0.598 1
1 817 . 18 1 1 A 85 85 GLN CB C 85 28.900 28.459 0.441 1
1 819 . 18 1 1 A 85 85 GLN N N 85 115.400 116.337 -0.937 1
1 821 . 18 1 1 A 86 86 ASN H H 86 7.630 7.639 -0.009 1
1 822 . 18 1 1 A 86 86 ASN HA H 86 5.020 4.837 0.183 1
1 827 . 18 1 1 A 86 86 ASN C C 86 174.100 174.799 -0.699 1
1 828 . 18 1 1 A 86 86 ASN CA C 86 52.800 53.396 -0.596 1
1 829 . 18 1 1 A 86 86 ASN CB C 86 40.400 39.481 0.919 1
1 830 . 18 1 1 A 86 86 ASN N N 86 114.000 115.873 -1.873 1
1 832 . 18 1 1 A 87 87 ILE H H 87 7.300 8.095 -0.795 1
1 833 . 18 1 1 A 87 87 ILE HA H 87 4.320 4.689 -0.369 1
1 843 . 18 1 1 A 87 87 ILE C C 87 174.500 176.173 -1.673 1
1 844 . 18 1 1 A 87 87 ILE CA C 87 60.400 59.928 0.472 1
1 845 . 18 1 1 A 87 87 ILE CB C 87 40.600 40.510 0.090 1
1 849 . 18 1 1 A 87 87 ILE N N 87 119.300 119.970 -0.670 1
1 850 . 18 1 1 A 88 88 HIS H H 88 9.140 8.839 0.301 1
1 851 . 18 1 1 A 88 88 HIS HA H 88 4.680 4.495 0.185 1
1 855 . 18 1 1 A 88 88 HIS CA C 88 57.300 58.619 -1.319 1
1 856 . 18 1 1 A 88 88 HIS CB C 88 30.200 31.415 -1.215 1
1 858 . 18 1 1 A 88 88 HIS N N 88 125.000 125.163 -0.163 1
1 859 . 18 1 1 A 89 89 ALA H H 89 7.600 7.475 0.125 1
1 860 . 18 1 1 A 89 89 ALA HA H 89 4.620 4.450 0.170 1
1 864 . 18 1 1 A 89 89 ALA C C 89 174.300 176.170 -1.870 1
1 865 . 18 1 1 A 89 89 ALA CA C 89 52.300 51.381 0.919 1
1 866 . 18 1 1 A 89 89 ALA CB C 89 21.300 19.485 1.815 1
1 867 . 18 1 1 A 89 89 ALA N N 89 120.100 119.325 0.775 1
1 868 . 18 1 1 A 90 90 PHE H H 90 8.830 9.289 -0.459 1
1 869 . 18 1 1 A 90 90 PHE HA H 90 5.220 5.055 0.165 1
1 877 . 18 1 1 A 90 90 PHE C C 90 173.700 174.473 -0.773 1
1 878 . 18 1 1 A 90 90 PHE CA C 90 57.200 58.794 -1.594 1
1 879 . 18 1 1 A 90 90 PHE CB C 90 42.000 40.388 1.612 1
1 885 . 18 1 1 A 90 90 PHE N N 90 126.100 127.092 -0.992 1
1 886 . 18 1 1 A 91 91 SER H H 91 8.320 8.375 -0.055 1
1 887 . 18 1 1 A 91 91 SER HA H 91 4.730 5.020 -0.290 1
1 891 . 18 1 1 A 91 91 SER C C 91 172.600 172.349 0.251 1
1 892 . 18 1 1 A 91 91 SER CA C 91 56.500 57.371 -0.871 1
1 893 . 18 1 1 A 91 91 SER CB C 91 64.100 66.153 -2.053 1
1 894 . 18 1 1 A 91 91 SER N N 91 123.100 123.012 0.088 1
1 895 . 18 1 1 A 92 92 MET H H 92 8.660 9.097 -0.437 1
1 896 . 18 1 1 A 92 92 MET HA H 92 5.490 5.394 0.096 1
1 901 . 18 1 1 A 92 92 MET C C 92 174.300 174.417 -0.117 1
1 902 . 18 1 1 A 92 92 MET CA C 92 53.600 53.509 0.091 1
1 903 . 18 1 1 A 92 92 MET CB C 92 37.500 35.462 2.038 1
1 906 . 18 1 1 A 92 92 MET N N 92 119.600 118.741 0.859 1
1 907 . 18 1 1 A 93 93 LYS H H 93 8.190 9.051 -0.861 1
1 908 . 18 1 1 A 93 93 LYS HA H 93 4.450 4.894 -0.444 1
1 917 . 18 1 1 A 93 93 LYS C C 93 174.400 175.334 -0.934 1
1 918 . 18 1 1 A 93 93 LYS CA C 93 55.400 54.846 0.554 1
1 919 . 18 1 1 A 93 93 LYS CB C 93 34.700 34.204 0.496 1
1 923 . 18 1 1 A 93 93 LYS N N 93 122.700 120.194 2.506 1
1 924 . 18 1 1 A 94 94 CYS H H 94 8.340 8.717 -0.377 1
1 925 . 18 1 1 A 94 94 CYS HA H 94 4.960 4.838 0.122 1
1 928 . 18 1 1 A 94 94 CYS C C 94 173.600 174.242 -0.642 1
1 929 . 18 1 1 A 94 94 CYS CA C 94 56.600 57.668 -1.068 1
1 930 . 18 1 1 A 94 94 CYS CB C 94 29.800 28.128 1.672 1
1 931 . 18 1 1 A 94 94 CYS N N 94 120.300 124.868 -4.568 1
1 932 . 18 1 1 A 95 95 HIS H H 95 9.040 9.036 0.004 1
1 933 . 18 1 1 A 95 95 HIS HA H 95 5.440 5.243 0.197 1
1 936 . 18 1 1 A 95 95 HIS C C 95 175.700 174.656 1.044 1
1 937 . 18 1 1 A 95 95 HIS CA C 95 53.600 54.790 -1.190 1
1 938 . 18 1 1 A 95 95 HIS CB C 95 35.300 33.994 1.306 1
1 939 . 18 1 1 A 95 95 HIS N N 95 122.000 121.303 0.697 1
1 940 . 18 1 1 A 96 96 THR H H 96 8.910 8.622 0.288 1
1 941 . 18 1 1 A 96 96 THR HA H 96 5.150 5.030 0.120 1
1 945 . 18 1 1 A 96 96 THR CA C 96 60.100 59.151 0.949 1
1 946 . 18 1 1 A 96 96 THR CB C 96 67.600 69.566 -1.966 1
1 948 . 18 1 1 A 96 96 THR N N 96 113.600 113.123 0.477 1
1 949 . 18 1 1 A 97 97 PRO HA H 97 4.060 4.394 -0.334 1
1 956 . 18 1 1 A 97 97 PRO C C 97 178.600 177.662 0.938 1
1 957 . 18 1 1 A 97 97 PRO CA C 97 66.600 65.840 0.760 1
1 958 . 18 1 1 A 97 97 PRO CB C 97 31.600 31.690 -0.090 1
1 961 . 18 1 1 A 98 98 LEU H H 98 8.410 7.895 0.515 1
1 962 . 18 1 1 A 98 98 LEU HA H 98 4.230 4.158 0.072 1
1 971 . 18 1 1 A 98 98 LEU C C 98 179.800 178.335 1.465 1
1 972 . 18 1 1 A 98 98 LEU CA C 98 58.200 57.911 0.289 1
1 973 . 18 1 1 A 98 98 LEU CB C 98 42.000 41.637 0.363 1
1 976 . 18 1 1 A 98 98 LEU N N 98 118.300 117.911 0.389 1
1 977 . 18 1 1 A 99 99 GLU H H 99 7.660 8.368 -0.708 1
1 978 . 18 1 1 A 99 99 GLU HA H 99 3.900 4.035 -0.135 1
1 983 . 18 1 1 A 99 99 GLU C C 99 180.200 178.512 1.688 1
1 984 . 18 1 1 A 99 99 GLU CA C 99 58.400 59.700 -1.300 1
1 985 . 18 1 1 A 99 99 GLU CB C 99 30.400 29.679 0.721 1
1 987 . 18 1 1 A 99 99 GLU N N 99 118.100 118.924 -0.824 1
1 988 . 18 1 1 A 100 100 TYR H H 100 8.770 8.023 0.747 1
1 989 . 18 1 1 A 100 100 TYR HA H 100 3.860 4.072 -0.212 1
1 996 . 18 1 1 A 100 100 TYR C C 100 176.800 177.411 -0.611 1
1 997 . 18 1 1 A 100 100 TYR CA C 100 60.800 61.300 -0.500 1
1 998 . 18 1 1 A 100 100 TYR CB C 100 39.200 38.583 0.617 1
1 1003 . 18 1 1 A 100 100 TYR N N 100 120.100 120.975 -0.875 1
1 1004 . 18 1 1 A 101 101 ASP H H 101 8.100 8.559 -0.459 1
1 1005 . 18 1 1 A 101 101 ASP HA H 101 4.180 4.272 -0.092 1
1 1008 . 18 1 1 A 101 101 ASP C C 101 178.700 178.371 0.329 1
1 1009 . 18 1 1 A 101 101 ASP CA C 101 57.300 57.461 -0.161 1
1 1010 . 18 1 1 A 101 101 ASP CB C 101 40.800 41.943 -1.143 1
1 1011 . 18 1 1 A 101 101 ASP N N 101 118.400 119.274 -0.874 1
1 1012 . 18 1 1 A 102 102 LYS H H 102 7.480 7.798 -0.318 1
1 1013 . 18 1 1 A 102 102 LYS HA H 102 4.070 4.050 0.020 1
1 1020 . 18 1 1 A 102 102 LYS CA C 102 58.300 59.219 -0.919 1
1 1021 . 18 1 1 A 102 102 LYS CB C 102 32.300 32.556 -0.256 1
1 1024 . 18 1 1 A 102 102 LYS N N 102 117.500 119.335 -1.835 1
1 1025 . 18 1 1 A 103 103 LEU H H 103 7.580 7.636 -0.056 1
1 1026 . 18 1 1 A 103 103 LEU HA H 103 4.050 3.877 0.173 1
1 1036 . 18 1 1 A 103 103 LEU C C 103 178.700 178.901 -0.201 1
1 1037 . 18 1 1 A 103 103 LEU CA C 103 56.800 57.751 -0.951 1
1 1038 . 18 1 1 A 103 103 LEU CB C 103 42.000 40.933 1.067 1
1 1042 . 18 1 1 A 103 103 LEU N N 103 120.100 120.002 0.098 1
1 1043 . 18 1 1 A 104 104 LYS H H 104 7.730 8.222 -0.492 1
1 1044 . 18 1 1 A 104 104 LYS HA H 104 3.960 3.751 0.209 1
1 1053 . 18 1 1 A 104 104 LYS CA C 104 56.700 58.620 -1.920 1
1 1054 . 18 1 1 A 104 104 LYS CB C 104 31.700 31.298 0.402 1
1 1058 . 18 1 1 A 104 104 LYS N N 104 118.500 118.019 0.481 1
1 1059 . 18 1 1 A 105 105 SER H H 105 7.790 7.903 -0.113 1
1 1060 . 18 1 1 A 105 105 SER HA H 105 4.330 4.213 0.117 1
1 1063 . 18 1 1 A 105 105 SER C C 105 174.700 175.164 -0.464 1
1 1064 . 18 1 1 A 105 105 SER CA C 105 58.900 60.700 -1.800 1
1 1065 . 18 1 1 A 105 105 SER CB C 105 63.500 62.785 0.715 1
1 1066 . 18 1 1 A 105 105 SER N N 105 114.900 114.798 0.102 1
1 1067 . 18 1 1 A 106 106 LYS H H 106 8.000 7.429 0.571 1
1 1068 . 18 1 1 A 106 106 LYS HA H 106 4.300 4.422 -0.122 1
1 1077 . 18 1 1 A 106 106 LYS C C 106 177.000 177.415 -0.415 1
1 1078 . 18 1 1 A 106 106 LYS CA C 106 56.600 56.375 0.225 1
1 1079 . 18 1 1 A 106 106 LYS CB C 106 32.800 34.749 -1.949 1
1 1081 . 18 1 1 A 106 106 LYS N N 106 122.400 116.498 5.902 1
1 1082 . 18 1 1 A 107 107 GLY H H 107 8.310 8.602 -0.292 1
1 1083 . 18 1 1 A 107 107 GLY HA2 H 107 3.990 3.870 0.120 1
1 1084 . 18 1 1 A 107 107 GLY HA3 H 107 3.990 3.915 0.075 1
1 1085 . 18 1 1 A 107 107 GLY CA C 107 45.300 45.330 -0.030 1
1 1086 . 18 1 1 A 107 107 GLY N N 107 110.000 109.725 0.275 1
1 1 . 19 1 1 A 11 11 SER HA H 11 4.510 4.122 0.388 1
1 4 . 19 1 1 A 11 11 SER C C 11 174.600 173.250 1.350 1
1 5 . 19 1 1 A 11 11 SER CA C 11 58.400 59.493 -1.093 1
1 6 . 19 1 1 A 11 11 SER CB C 11 63.800 61.179 2.621 1
1 7 . 19 1 1 A 12 12 SER H H 12 8.630 7.857 0.773 1
1 8 . 19 1 1 A 12 12 SER HA H 12 4.500 4.967 -0.467 1
1 11 . 19 1 1 A 12 12 SER C C 12 175.000 174.773 0.227 1
1 12 . 19 1 1 A 12 12 SER CA C 12 58.600 57.350 1.250 1
1 13 . 19 1 1 A 12 12 SER CB C 12 63.900 65.848 -1.948 1
1 14 . 19 1 1 A 12 12 SER N N 12 118.300 116.556 1.744 1
1 15 . 19 1 1 A 13 13 GLY H H 13 8.560 9.168 -0.608 1
1 16 . 19 1 1 A 13 13 GLY HA2 H 13 4.050 4.010 0.040 1
1 17 . 19 1 1 A 13 13 GLY HA3 H 13 4.050 4.011 0.039 1
1 18 . 19 1 1 A 13 13 GLY C C 13 174.300 174.701 -0.401 1
1 19 . 19 1 1 A 13 13 GLY CA C 13 45.400 45.625 -0.225 1
1 20 . 19 1 1 A 13 13 GLY N N 13 111.000 111.314 -0.314 1
1 21 . 19 1 1 A 14 14 ARG H H 14 8.260 7.907 0.353 1
1 22 . 19 1 1 A 14 14 ARG HA H 14 4.320 4.498 -0.178 1
1 29 . 19 1 1 A 14 14 ARG C C 14 176.400 177.365 -0.965 1
1 30 . 19 1 1 A 14 14 ARG CA C 14 56.300 57.440 -1.140 1
1 31 . 19 1 1 A 14 14 ARG CB C 14 30.600 31.416 -0.816 1
1 34 . 19 1 1 A 14 14 ARG N N 14 120.400 118.534 1.866 1
1 35 . 19 1 1 A 15 15 GLU H H 15 8.660 8.376 0.284 1
1 36 . 19 1 1 A 15 15 GLU HA H 15 4.210 4.478 -0.268 1
1 41 . 19 1 1 A 15 15 GLU C C 15 176.200 177.233 -1.033 1
1 42 . 19 1 1 A 15 15 GLU CA C 15 57.200 56.895 0.305 1
1 43 . 19 1 1 A 15 15 GLU CB C 15 29.700 29.295 0.405 1
1 45 . 19 1 1 A 15 15 GLU N N 15 121.100 118.718 2.382 1
1 46 . 19 1 1 A 16 16 ASN H H 16 8.420 8.646 -0.226 1
1 47 . 19 1 1 A 16 16 ASN HA H 16 4.680 4.597 0.083 1
1 52 . 19 1 1 A 16 16 ASN C C 16 175.100 175.702 -0.602 1
1 53 . 19 1 1 A 16 16 ASN CA C 16 53.300 54.330 -1.030 1
1 54 . 19 1 1 A 16 16 ASN CB C 16 38.700 37.178 1.522 1
1 55 . 19 1 1 A 16 16 ASN N N 16 118.900 119.283 -0.383 1
1 57 . 19 1 1 A 17 17 LEU H H 17 8.110 7.259 0.851 1
1 58 . 19 1 1 A 17 17 LEU HA H 17 4.210 4.353 -0.143 1
1 68 . 19 1 1 A 17 17 LEU C C 17 177.000 175.646 1.354 1
1 69 . 19 1 1 A 17 17 LEU CA C 17 55.600 54.629 0.971 1
1 70 . 19 1 1 A 17 17 LEU CB C 17 42.200 41.881 0.319 1
1 74 . 19 1 1 A 17 17 LEU N N 17 121.900 116.902 4.998 1
1 75 . 19 1 1 A 18 18 TYR H H 18 8.070 7.616 0.454 1
1 76 . 19 1 1 A 18 18 TYR HA H 18 4.530 5.119 -0.589 1
1 83 . 19 1 1 A 18 18 TYR C C 18 175.700 174.190 1.510 1
1 84 . 19 1 1 A 18 18 TYR CA C 18 58.000 56.047 1.953 1
1 85 . 19 1 1 A 18 18 TYR CB C 18 38.700 39.167 -0.467 1
1 90 . 19 1 1 A 18 18 TYR N N 18 119.500 119.279 0.221 1
1 91 . 19 1 1 A 19 19 PHE H H 19 8.120 9.146 -1.026 1
1 92 . 19 1 1 A 19 19 PHE HA H 19 4.560 5.255 -0.695 1
1 99 . 19 1 1 A 19 19 PHE C C 19 175.500 173.733 1.767 1
1 100 . 19 1 1 A 19 19 PHE CA C 19 57.900 56.130 1.770 1
1 101 . 19 1 1 A 19 19 PHE CB C 19 39.500 39.816 -0.316 1
1 106 . 19 1 1 A 19 19 PHE N N 19 121.200 126.964 -5.764 1
1 107 . 19 1 1 A 20 20 GLN H H 20 8.300 8.624 -0.324 1
1 108 . 19 1 1 A 20 20 GLN HA H 20 4.200 4.991 -0.791 1
1 115 . 19 1 1 A 20 20 GLN C C 20 176.000 174.263 1.737 1
1 116 . 19 1 1 A 20 20 GLN CA C 20 56.100 54.018 2.082 1
1 117 . 19 1 1 A 20 20 GLN CB C 20 29.100 32.431 -3.331 1
1 119 . 19 1 1 A 20 20 GLN N N 20 121.700 120.178 1.522 1
1 121 . 19 1 1 A 21 21 GLY H H 21 7.970 8.353 -0.383 1
1 122 . 19 1 1 A 21 21 GLY HA2 H 21 3.940 4.173 -0.233 1
1 123 . 19 1 1 A 21 21 GLY HA3 H 21 3.830 4.201 -0.371 1
1 124 . 19 1 1 A 21 21 GLY CA C 21 45.400 46.157 -0.757 1
1 125 . 19 1 1 A 21 21 GLY N N 21 108.500 107.203 1.297 1
1 126 . 19 1 1 A 22 22 HIS H H 22 8.280 8.010 0.270 1
1 127 . 19 1 1 A 22 22 HIS C C 22 174.000 172.945 1.055 1
1 128 . 19 1 1 A 22 22 HIS CA C 22 56.000 55.552 0.448 1
1 129 . 19 1 1 A 22 22 HIS CB C 22 29.900 33.415 -3.515 1
1 130 . 19 1 1 A 22 22 HIS N N 22 118.700 117.419 1.281 1
1 134 . 19 1 1 A 23 23 MET C C 23 175.900 175.288 0.612 1
1 135 . 19 1 1 A 23 23 MET CB C 23 32.700 33.737 -1.037 1
1 137 . 19 1 1 A 24 24 CYS H H 24 8.390 8.382 0.008 1
1 138 . 19 1 1 A 24 24 CYS HA H 24 4.620 4.910 -0.290 1
1 141 . 19 1 1 A 24 24 CYS C C 24 175.400 174.794 0.606 1
1 142 . 19 1 1 A 24 24 CYS CA C 24 58.000 58.016 -0.016 1
1 143 . 19 1 1 A 24 24 CYS CB C 24 27.900 30.713 -2.813 1
1 144 . 19 1 1 A 24 24 CYS N N 24 120.600 119.964 0.636 1
1 145 . 19 1 1 A 25 25 ILE H H 25 8.550 8.622 -0.072 1
1 146 . 19 1 1 A 25 25 ILE HA H 25 4.010 3.860 0.150 1
1 156 . 19 1 1 A 25 25 ILE C C 25 176.200 176.889 -0.689 1
1 157 . 19 1 1 A 25 25 ILE CA C 25 63.400 64.264 -0.864 1
1 158 . 19 1 1 A 25 25 ILE CB C 25 38.100 37.737 0.363 1
1 162 . 19 1 1 A 25 25 ILE N N 25 124.600 127.044 -2.444 1
1 163 . 19 1 1 A 26 26 GLN H H 26 8.860 8.127 0.733 1
1 164 . 19 1 1 A 26 26 GLN HA H 26 3.340 3.845 -0.505 1
1 171 . 19 1 1 A 26 26 GLN C C 26 176.800 178.501 -1.701 1
1 172 . 19 1 1 A 26 26 GLN CA C 26 60.200 59.200 1.000 1
1 173 . 19 1 1 A 26 26 GLN CB C 26 27.800 28.121 -0.321 1
1 175 . 19 1 1 A 26 26 GLN N N 26 121.900 121.024 0.876 1
1 177 . 19 1 1 A 27 27 LYS H H 27 7.340 7.808 -0.468 1
1 178 . 19 1 1 A 27 27 LYS HA H 27 4.070 4.200 -0.130 1
1 181 . 19 1 1 A 27 27 LYS C C 27 177.900 178.802 -0.902 1
1 182 . 19 1 1 A 27 27 LYS CA C 27 58.300 58.841 -0.541 1
1 183 . 19 1 1 A 27 27 LYS CB C 27 31.800 32.035 -0.235 1
1 187 . 19 1 1 A 27 27 LYS N N 27 117.700 120.104 -2.404 1
1 188 . 19 1 1 A 28 28 VAL H H 28 7.570 8.090 -0.520 1
1 189 . 19 1 1 A 28 28 VAL HA H 28 3.680 3.708 -0.028 1
1 197 . 19 1 1 A 28 28 VAL C C 28 178.600 178.329 0.271 1
1 198 . 19 1 1 A 28 28 VAL CA C 28 66.400 66.450 -0.050 1
1 199 . 19 1 1 A 28 28 VAL CB C 28 31.800 31.508 0.292 1
1 202 . 19 1 1 A 28 28 VAL N N 28 119.900 119.744 0.156 1
1 203 . 19 1 1 A 29 29 ILE H H 29 8.180 8.272 -0.092 1
1 204 . 19 1 1 A 29 29 ILE HA H 29 3.290 3.413 -0.123 1
1 212 . 19 1 1 A 29 29 ILE C C 29 177.500 177.696 -0.196 1
1 213 . 19 1 1 A 29 29 ILE CA C 29 65.900 65.592 0.308 1
1 214 . 19 1 1 A 29 29 ILE CB C 29 37.600 37.549 0.051 1
1 218 . 19 1 1 A 29 29 ILE N N 29 118.500 120.434 -1.934 1
1 219 . 19 1 1 A 30 30 GLU H H 30 8.370 8.569 -0.199 1
1 220 . 19 1 1 A 30 30 GLU HA H 30 3.610 3.882 -0.272 1
1 225 . 19 1 1 A 30 30 GLU C C 30 179.000 178.545 0.455 1
1 226 . 19 1 1 A 30 30 GLU CA C 30 60.400 59.755 0.645 1
1 227 . 19 1 1 A 30 30 GLU CB C 30 29.600 29.103 0.497 1
1 229 . 19 1 1 A 30 30 GLU N N 30 119.200 119.063 0.137 1
1 230 . 19 1 1 A 31 31 ASP H H 31 8.710 8.233 0.477 1
1 231 . 19 1 1 A 31 31 ASP HA H 31 4.370 4.487 -0.117 1
1 234 . 19 1 1 A 31 31 ASP CA C 31 57.600 57.062 0.538 1
1 235 . 19 1 1 A 31 31 ASP CB C 31 40.200 40.831 -0.631 1
1 236 . 19 1 1 A 31 31 ASP N N 31 125.100 120.360 4.740 1
1 237 . 19 1 1 A 32 32 LYS H H 32 8.430 8.012 0.418 1
1 238 . 19 1 1 A 32 32 LYS HA H 32 4.030 3.957 0.073 1
1 243 . 19 1 1 A 32 32 LYS C C 32 180.300 179.280 1.020 1
1 244 . 19 1 1 A 32 32 LYS CA C 32 60.400 59.717 0.683 1
1 245 . 19 1 1 A 32 32 LYS CB C 32 33.100 31.986 1.114 1
1 248 . 19 1 1 A 32 32 LYS N N 32 120.700 119.579 1.121 1
1 249 . 19 1 1 A 33 33 LEU H H 33 8.580 7.805 0.775 1
1 250 . 19 1 1 A 33 33 LEU HA H 33 4.000 3.980 0.020 1
1 260 . 19 1 1 A 33 33 LEU C C 33 179.200 178.444 0.756 1
1 261 . 19 1 1 A 33 33 LEU CA C 33 58.000 57.720 0.280 1
1 262 . 19 1 1 A 33 33 LEU CB C 33 42.500 41.125 1.375 1
1 266 . 19 1 1 A 33 33 LEU N N 33 117.200 119.086 -1.886 1
1 267 . 19 1 1 A 34 34 SER H H 34 8.670 7.972 0.698 1
1 268 . 19 1 1 A 34 34 SER HA H 34 4.100 4.158 -0.058 1
1 271 . 19 1 1 A 34 34 SER C C 34 176.900 177.157 -0.257 1
1 272 . 19 1 1 A 34 34 SER CA C 34 62.500 61.559 0.941 1
1 273 . 19 1 1 A 34 34 SER CB C 34 62.500 62.428 0.072 1
1 274 . 19 1 1 A 34 34 SER N N 34 115.500 114.423 1.077 1
1 275 . 19 1 1 A 35 35 SER H H 35 8.080 8.047 0.033 1
1 276 . 19 1 1 A 35 35 SER HA H 35 4.200 4.083 0.117 1
1 279 . 19 1 1 A 35 35 SER C C 35 175.900 175.823 0.077 1
1 280 . 19 1 1 A 35 35 SER CA C 35 60.900 61.362 -0.462 1
1 281 . 19 1 1 A 35 35 SER CB C 35 62.900 62.990 -0.090 1
1 282 . 19 1 1 A 35 35 SER N N 35 115.300 116.261 -0.961 1
1 283 . 19 1 1 A 36 36 ALA H H 36 7.570 7.682 -0.112 1
1 284 . 19 1 1 A 36 36 ALA HA H 36 4.340 4.311 0.029 1
1 288 . 19 1 1 A 36 36 ALA C C 36 179.200 179.831 -0.631 1
1 289 . 19 1 1 A 36 36 ALA CA C 36 54.300 54.219 0.081 1
1 290 . 19 1 1 A 36 36 ALA CB C 36 20.900 19.226 1.674 1
1 291 . 19 1 1 A 36 36 ALA N N 36 119.000 122.956 -3.956 1
1 292 . 19 1 1 A 37 37 LEU H H 37 7.960 8.215 -0.255 1
1 293 . 19 1 1 A 37 37 LEU HA H 37 4.530 4.213 0.317 1
1 303 . 19 1 1 A 37 37 LEU CA C 37 53.500 55.708 -2.208 1
1 304 . 19 1 1 A 37 37 LEU CB C 37 42.600 42.339 0.261 1
1 308 . 19 1 1 A 37 37 LEU N N 37 111.800 116.185 -4.385 1
1 309 . 19 1 1 A 38 38 LYS H H 38 7.600 7.960 -0.360 1
1 310 . 19 1 1 A 38 38 LYS HA H 38 4.250 4.292 -0.042 1
1 313 . 19 1 1 A 38 38 LYS CA C 38 56.200 56.664 -0.464 1
1 314 . 19 1 1 A 38 38 LYS CB C 38 30.800 31.004 -0.204 1
1 315 . 19 1 1 A 38 38 LYS N N 38 117.200 115.960 1.240 1
1 316 . 19 1 1 A 39 39 PRO HA H 39 4.670 4.589 0.081 1
1 323 . 19 1 1 A 39 39 PRO C C 39 178.100 177.726 0.374 1
1 324 . 19 1 1 A 39 39 PRO CA C 39 63.300 62.008 1.292 1
1 325 . 19 1 1 A 39 39 PRO CB C 39 32.700 32.416 0.284 1
1 328 . 19 1 1 A 40 40 THR H H 40 8.500 8.433 0.067 1
1 329 . 19 1 1 A 40 40 THR HA H 40 4.290 4.083 0.207 1
1 334 . 19 1 1 A 40 40 THR C C 40 175.700 174.413 1.287 1
1 335 . 19 1 1 A 40 40 THR CA C 40 63.200 64.498 -1.298 1
1 336 . 19 1 1 A 40 40 THR CB C 40 67.600 69.034 -1.434 1
1 338 . 19 1 1 A 40 40 THR N N 40 114.500 114.425 0.075 1
1 339 . 19 1 1 A 41 41 PHE H H 41 7.300 7.614 -0.314 1
1 340 . 19 1 1 A 41 41 PHE HA H 41 4.510 4.681 -0.171 1
1 347 . 19 1 1 A 41 41 PHE C C 41 171.500 172.948 -1.448 1
1 348 . 19 1 1 A 41 41 PHE CA C 41 58.800 56.974 1.826 1
1 349 . 19 1 1 A 41 41 PHE CB C 41 41.000 42.275 -1.275 1
1 354 . 19 1 1 A 41 41 PHE N N 41 121.100 120.532 0.568 1
1 355 . 19 1 1 A 42 42 LEU H H 42 7.530 8.401 -0.871 1
1 356 . 19 1 1 A 42 42 LEU HA H 42 4.910 5.056 -0.146 1
1 366 . 19 1 1 A 42 42 LEU C C 42 173.700 173.951 -0.251 1
1 367 . 19 1 1 A 42 42 LEU CA C 42 53.500 54.004 -0.504 1
1 368 . 19 1 1 A 42 42 LEU CB C 42 45.300 45.485 -0.185 1
1 372 . 19 1 1 A 42 42 LEU N N 42 129.100 128.647 0.453 1
1 373 . 19 1 1 A 43 43 GLU H H 43 8.690 8.790 -0.100 1
1 374 . 19 1 1 A 43 43 GLU HA H 43 4.400 4.968 -0.568 1
1 379 . 19 1 1 A 43 43 GLU C C 43 173.500 174.719 -1.219 1
1 380 . 19 1 1 A 43 43 GLU CA C 43 55.800 54.676 1.124 1
1 381 . 19 1 1 A 43 43 GLU CB C 43 34.100 33.338 0.762 1
1 383 . 19 1 1 A 43 43 GLU N N 43 126.900 127.962 -1.062 1
1 384 . 19 1 1 A 44 44 LEU H H 44 9.000 9.110 -0.110 1
1 385 . 19 1 1 A 44 44 LEU HA H 44 5.130 5.359 -0.229 1
1 395 . 19 1 1 A 44 44 LEU C C 44 175.100 176.027 -0.927 1
1 396 . 19 1 1 A 44 44 LEU CA C 44 53.700 53.639 0.061 1
1 397 . 19 1 1 A 44 44 LEU CB C 44 44.600 43.626 0.974 1
1 401 . 19 1 1 A 44 44 LEU N N 44 129.900 127.363 2.537 1
1 402 . 19 1 1 A 45 45 VAL H H 45 9.000 9.534 -0.534 1
1 403 . 19 1 1 A 45 45 VAL HA H 45 4.370 4.972 -0.602 1
1 411 . 19 1 1 A 45 45 VAL C C 45 175.100 174.176 0.924 1
1 412 . 19 1 1 A 45 45 VAL CA C 45 61.200 59.112 2.088 1
1 413 . 19 1 1 A 45 45 VAL CB C 45 35.400 34.536 0.864 1
1 416 . 19 1 1 A 45 45 VAL N N 45 122.300 120.203 2.097 1
1 417 . 19 1 1 A 46 46 ASP H H 46 9.080 8.665 0.415 1
1 418 . 19 1 1 A 46 46 ASP HA H 46 4.530 4.688 -0.158 1
1 421 . 19 1 1 A 46 46 ASP C C 46 176.900 175.194 1.706 1
1 422 . 19 1 1 A 46 46 ASP CA C 46 53.900 54.058 -0.158 1
1 423 . 19 1 1 A 46 46 ASP CB C 46 40.600 41.518 -0.918 1
1 424 . 19 1 1 A 46 46 ASP N N 46 127.400 123.740 3.660 1
1 425 . 19 1 1 A 47 47 LYS H H 47 8.490 8.801 -0.311 1
1 426 . 19 1 1 A 47 47 LYS HA H 47 4.560 4.754 -0.194 1
1 427 . 19 1 1 A 47 47 LYS CA C 47 54.200 54.789 -0.589 1
1 428 . 19 1 1 A 47 47 LYS CB C 47 30.400 34.331 -3.931 1
1 429 . 19 1 1 A 47 47 LYS N N 47 129.500 127.980 1.520 1
1 430 . 19 1 1 A 54 54 SER HA H 54 5.550 5.438 0.112 1
1 433 . 19 1 1 A 54 54 SER C C 54 172.900 173.712 -0.812 1
1 434 . 19 1 1 A 54 54 SER CA C 54 57.300 57.178 0.122 1
1 435 . 19 1 1 A 54 54 SER CB C 54 65.800 64.803 0.997 1
1 436 . 19 1 1 A 55 55 PHE H H 55 8.340 9.394 -1.054 1
1 437 . 19 1 1 A 55 55 PHE HA H 55 5.700 5.057 0.643 1
1 442 . 19 1 1 A 55 55 PHE C C 55 174.400 173.990 0.410 1
1 443 . 19 1 1 A 55 55 PHE CA C 55 56.700 56.380 0.320 1
1 444 . 19 1 1 A 55 55 PHE CB C 55 45.300 41.859 3.441 1
1 447 . 19 1 1 A 55 55 PHE N N 55 119.600 120.473 -0.873 1
1 448 . 19 1 1 A 56 56 ASP H H 56 8.840 9.407 -0.567 1
1 449 . 19 1 1 A 56 56 ASP HA H 56 5.350 5.030 0.320 1
1 452 . 19 1 1 A 56 56 ASP C C 56 174.400 174.819 -0.419 1
1 453 . 19 1 1 A 56 56 ASP CA C 56 52.900 52.363 0.537 1
1 454 . 19 1 1 A 56 56 ASP CB C 56 43.700 42.212 1.488 1
1 455 . 19 1 1 A 56 56 ASP N N 56 121.500 124.342 -2.842 1
1 456 . 19 1 1 A 57 57 ALA H H 57 8.780 8.962 -0.182 1
1 457 . 19 1 1 A 57 57 ALA HA H 57 5.620 5.376 0.244 1
1 461 . 19 1 1 A 57 57 ALA C C 57 176.400 175.786 0.614 1
1 462 . 19 1 1 A 57 57 ALA CA C 57 50.200 50.188 0.012 1
1 463 . 19 1 1 A 57 57 ALA CB C 57 23.600 20.735 2.865 1
1 464 . 19 1 1 A 57 57 ALA N N 57 125.000 129.422 -4.422 1
1 465 . 19 1 1 A 58 58 VAL H H 58 9.080 8.923 0.157 1
1 466 . 19 1 1 A 58 58 VAL HA H 58 4.580 4.474 0.106 1
1 474 . 19 1 1 A 58 58 VAL C C 58 175.000 174.573 0.427 1
1 475 . 19 1 1 A 58 58 VAL CA C 58 62.800 62.626 0.174 1
1 476 . 19 1 1 A 58 58 VAL CB C 58 34.100 31.582 2.518 1
1 479 . 19 1 1 A 58 58 VAL N N 58 125.100 123.275 1.825 1
1 480 . 19 1 1 A 59 59 ILE H H 59 8.750 9.179 -0.429 1
1 481 . 19 1 1 A 59 59 ILE HA H 59 4.430 4.920 -0.490 1
1 489 . 19 1 1 A 59 59 ILE C C 59 173.900 173.870 0.030 1
1 490 . 19 1 1 A 59 59 ILE CA C 59 60.900 60.187 0.713 1
1 491 . 19 1 1 A 59 59 ILE CB C 59 41.100 40.261 0.839 1
1 495 . 19 1 1 A 59 59 ILE N N 59 125.000 129.470 -4.470 1
1 496 . 19 1 1 A 60 60 VAL H H 60 8.540 9.383 -0.843 1
1 497 . 19 1 1 A 60 60 VAL HA H 60 5.540 5.538 0.002 1
1 505 . 19 1 1 A 60 60 VAL C C 60 175.900 174.943 0.957 1
1 506 . 19 1 1 A 60 60 VAL CA C 60 60.200 61.121 -0.921 1
1 507 . 19 1 1 A 60 60 VAL CB C 60 31.800 32.426 -0.626 1
1 510 . 19 1 1 A 60 60 VAL N N 60 128.600 132.079 -3.479 1
1 511 . 19 1 1 A 61 61 SER H H 61 8.720 8.652 0.068 1
1 512 . 19 1 1 A 61 61 SER HA H 61 5.000 5.248 -0.248 1
1 515 . 19 1 1 A 61 61 SER C C 61 175.700 174.348 1.352 1
1 516 . 19 1 1 A 61 61 SER CA C 61 56.500 56.451 0.049 1
1 517 . 19 1 1 A 61 61 SER CB C 61 64.400 65.485 -1.085 1
1 518 . 19 1 1 A 61 61 SER N N 61 115.900 121.767 -5.867 1
1 519 . 19 1 1 A 62 62 ASN H H 62 9.650 9.242 0.408 1
1 520 . 19 1 1 A 62 62 ASN HA H 62 4.670 4.514 0.156 1
1 525 . 19 1 1 A 62 62 ASN CA C 62 56.500 55.699 0.801 1
1 526 . 19 1 1 A 62 62 ASN CB C 62 38.600 38.094 0.506 1
1 528 . 19 1 1 A 62 62 ASN N N 62 129.400 125.273 4.127 1
1 530 . 19 1 1 A 63 63 ASN H H 63 8.920 8.284 0.636 1
1 531 . 19 1 1 A 63 63 ASN HA H 63 4.490 4.548 -0.058 1
1 536 . 19 1 1 A 63 63 ASN C C 63 175.200 177.318 -2.118 1
1 537 . 19 1 1 A 63 63 ASN CA C 63 55.700 55.678 0.022 1
1 538 . 19 1 1 A 63 63 ASN CB C 63 37.600 38.635 -1.035 1
1 539 . 19 1 1 A 63 63 ASN N N 63 119.500 118.414 1.086 1
1 541 . 19 1 1 A 64 64 PHE H H 64 6.950 7.702 -0.752 1
1 542 . 19 1 1 A 64 64 PHE HA H 64 4.690 4.349 0.341 1
1 545 . 19 1 1 A 64 64 PHE C C 64 174.200 177.086 -2.886 1
1 546 . 19 1 1 A 64 64 PHE CA C 64 54.900 59.889 -4.989 1
1 547 . 19 1 1 A 64 64 PHE CB C 64 37.500 39.788 -2.288 1
1 548 . 19 1 1 A 64 64 PHE N N 64 113.700 120.151 -6.451 1
1 549 . 19 1 1 A 65 65 GLU H H 65 7.470 8.675 -1.205 1
1 550 . 19 1 1 A 65 65 GLU HA H 65 4.010 4.089 -0.079 1
1 555 . 19 1 1 A 65 65 GLU C C 65 174.800 176.274 -1.474 1
1 556 . 19 1 1 A 65 65 GLU CA C 65 58.400 57.743 0.657 1
1 557 . 19 1 1 A 65 65 GLU CB C 65 29.700 28.670 1.030 1
1 559 . 19 1 1 A 65 65 GLU N N 65 120.500 117.326 3.174 1
1 560 . 19 1 1 A 66 66 ASP H H 66 9.010 7.722 1.288 1
1 561 . 19 1 1 A 66 66 ASP HA H 66 4.390 4.720 -0.330 1
1 564 . 19 1 1 A 66 66 ASP C C 66 175.000 175.625 -0.625 1
1 565 . 19 1 1 A 66 66 ASP CA C 66 55.800 53.571 2.229 1
1 566 . 19 1 1 A 66 66 ASP CB C 66 39.800 40.846 -1.046 1
1 567 . 19 1 1 A 66 66 ASP N N 66 119.200 120.229 -1.029 1
1 568 . 19 1 1 A 67 67 LYS H H 67 7.800 7.636 0.164 1
1 569 . 19 1 1 A 67 67 LYS C C 67 177.400 175.215 2.185 1
1 570 . 19 1 1 A 67 67 LYS CA C 67 54.700 57.459 -2.759 1
1 571 . 19 1 1 A 67 67 LYS CB C 67 38.400 31.538 6.862 1
1 575 . 19 1 1 A 67 67 LYS N N 67 117.200 119.133 -1.933 1
1 576 . 19 1 1 A 68 68 LYS H H 68 9.340 7.781 1.559 1
1 577 . 19 1 1 A 68 68 LYS HA H 68 4.400 4.444 -0.044 1
1 586 . 19 1 1 A 68 68 LYS C C 68 177.500 176.266 1.234 1
1 587 . 19 1 1 A 68 68 LYS CA C 68 55.900 54.883 1.017 1
1 588 . 19 1 1 A 68 68 LYS CB C 68 32.700 30.536 2.164 1
1 592 . 19 1 1 A 68 68 LYS N N 68 125.800 120.172 5.628 1
1 593 . 19 1 1 A 69 69 LEU H H 69 8.710 8.144 0.566 1
1 594 . 19 1 1 A 69 69 LEU HA H 69 3.630 4.367 -0.737 1
1 603 . 19 1 1 A 69 69 LEU C C 69 178.400 178.277 0.123 1
1 604 . 19 1 1 A 69 69 LEU CA C 69 60.300 58.128 2.172 1
1 605 . 19 1 1 A 69 69 LEU CB C 69 41.600 42.004 -0.404 1
1 608 . 19 1 1 A 69 69 LEU N N 69 124.300 126.121 -1.821 1
1 609 . 19 1 1 A 70 70 LEU H H 70 8.700 8.024 0.676 1
1 610 . 19 1 1 A 70 70 LEU HA H 70 3.930 4.030 -0.100 1
1 620 . 19 1 1 A 70 70 LEU C C 70 179.400 178.479 0.921 1
1 621 . 19 1 1 A 70 70 LEU CA C 70 58.200 58.188 0.012 1
1 622 . 19 1 1 A 70 70 LEU CB C 70 41.700 41.228 0.472 1
1 626 . 19 1 1 A 70 70 LEU N N 70 116.100 117.399 -1.299 1
1 627 . 19 1 1 A 71 71 ASP H H 71 7.130 8.425 -1.295 1
1 628 . 19 1 1 A 71 71 ASP HA H 71 4.660 4.353 0.307 1
1 631 . 19 1 1 A 71 71 ASP C C 71 179.000 178.346 0.654 1
1 632 . 19 1 1 A 71 71 ASP CA C 71 57.100 57.567 -0.467 1
1 633 . 19 1 1 A 71 71 ASP CB C 71 40.800 41.015 -0.215 1
1 634 . 19 1 1 A 71 71 ASP N N 71 117.600 119.442 -1.842 1
1 635 . 19 1 1 A 72 72 ARG H H 72 8.190 7.763 0.427 1
1 636 . 19 1 1 A 72 72 ARG HA H 72 3.930 4.033 -0.103 1
1 637 . 19 1 1 A 72 72 ARG C C 72 177.000 178.587 -1.587 1
1 638 . 19 1 1 A 72 72 ARG CA C 72 60.100 59.100 1.000 1
1 639 . 19 1 1 A 72 72 ARG CB C 72 29.300 30.005 -0.705 1
1 642 . 19 1 1 A 72 72 ARG N N 72 122.200 120.182 2.018 1
1 643 . 19 1 1 A 73 73 HIS H H 73 8.030 8.358 -0.328 1
1 644 . 19 1 1 A 73 73 HIS HA H 73 4.100 4.305 -0.205 1
1 648 . 19 1 1 A 73 73 HIS C C 73 177.300 177.391 -0.091 1
1 649 . 19 1 1 A 73 73 HIS CA C 73 58.100 60.192 -2.092 1
1 650 . 19 1 1 A 73 73 HIS CB C 73 30.200 29.530 0.670 1
1 652 . 19 1 1 A 73 73 HIS N N 73 116.800 119.186 -2.386 1
1 653 . 19 1 1 A 74 74 ARG H H 74 8.290 8.323 -0.033 1
1 654 . 19 1 1 A 74 74 ARG HA H 74 4.080 4.053 0.027 1
1 661 . 19 1 1 A 74 74 ARG C C 74 178.700 178.725 -0.025 1
1 662 . 19 1 1 A 74 74 ARG CA C 74 59.700 59.001 0.699 1
1 663 . 19 1 1 A 74 74 ARG CB C 74 30.400 29.873 0.527 1
1 666 . 19 1 1 A 74 74 ARG N N 74 118.200 118.369 -0.169 1
1 667 . 19 1 1 A 75 75 LEU H H 75 7.740 7.993 -0.253 1
1 668 . 19 1 1 A 75 75 LEU HA H 75 4.270 4.005 0.265 1
1 678 . 19 1 1 A 75 75 LEU CA C 75 58.300 58.071 0.229 1
1 679 . 19 1 1 A 75 75 LEU CB C 75 42.000 41.993 0.007 1
1 683 . 19 1 1 A 75 75 LEU N N 75 121.200 121.383 -0.183 1
1 684 . 19 1 1 A 76 76 VAL H H 76 7.590 8.108 -0.518 1
1 685 . 19 1 1 A 76 76 VAL HA H 76 3.360 3.451 -0.091 1
1 693 . 19 1 1 A 76 76 VAL C C 76 176.800 177.239 -0.439 1
1 694 . 19 1 1 A 76 76 VAL CA C 76 67.500 66.816 0.684 1
1 695 . 19 1 1 A 76 76 VAL CB C 76 31.500 31.146 0.354 1
1 698 . 19 1 1 A 76 76 VAL N N 76 119.300 117.521 1.779 1
1 699 . 19 1 1 A 77 77 ASN H H 77 8.690 8.156 0.534 1
1 700 . 19 1 1 A 77 77 ASN HA H 77 4.190 4.419 -0.229 1
1 705 . 19 1 1 A 77 77 ASN C C 77 178.000 178.055 -0.055 1
1 706 . 19 1 1 A 77 77 ASN CA C 77 55.400 56.341 -0.941 1
1 707 . 19 1 1 A 77 77 ASN CB C 77 37.600 38.350 -0.750 1
1 708 . 19 1 1 A 77 77 ASN N N 77 117.100 119.561 -2.461 1
1 710 . 19 1 1 A 78 78 THR H H 78 8.050 8.068 -0.018 1
1 711 . 19 1 1 A 78 78 THR HA H 78 3.970 4.014 -0.044 1
1 716 . 19 1 1 A 78 78 THR C C 78 176.900 176.904 -0.004 1
1 717 . 19 1 1 A 78 78 THR CA C 78 66.700 67.154 -0.454 1
1 718 . 19 1 1 A 78 78 THR CB C 78 68.800 68.401 0.399 1
1 720 . 19 1 1 A 78 78 THR N N 78 116.300 116.615 -0.315 1
1 721 . 19 1 1 A 79 79 ILE H H 79 8.020 8.109 -0.089 1
1 722 . 19 1 1 A 79 79 ILE HA H 79 3.670 3.656 0.014 1
1 730 . 19 1 1 A 79 79 ILE CA C 79 65.000 64.344 0.656 1
1 731 . 19 1 1 A 79 79 ILE CB C 79 38.500 37.941 0.559 1
1 734 . 19 1 1 A 79 79 ILE N N 79 124.800 120.812 3.988 1
1 735 . 19 1 1 A 80 80 LEU H H 80 7.770 8.197 -0.427 1
1 745 . 19 1 1 A 80 80 LEU C C 80 176.000 178.311 -2.311 1
1 746 . 19 1 1 A 80 80 LEU CA C 80 52.900 55.263 -2.363 1
1 747 . 19 1 1 A 80 80 LEU CB C 80 41.100 41.577 -0.477 1
1 751 . 19 1 1 A 80 80 LEU N N 80 115.200 119.102 -3.902 1
1 752 . 19 1 1 A 81 81 LYS H H 81 6.880 7.656 -0.776 1
1 753 . 19 1 1 A 81 81 LYS HA H 81 3.820 3.888 -0.068 1
1 762 . 19 1 1 A 81 81 LYS C C 81 178.400 179.158 -0.758 1
1 763 . 19 1 1 A 81 81 LYS CA C 81 60.700 59.760 0.940 1
1 764 . 19 1 1 A 81 81 LYS CB C 81 32.800 32.427 0.373 1
1 768 . 19 1 1 A 81 81 LYS N N 81 120.300 121.188 -0.888 1
1 769 . 19 1 1 A 82 82 GLU H H 82 8.620 8.059 0.561 1
1 770 . 19 1 1 A 82 82 GLU HA H 82 4.020 4.059 -0.039 1
1 773 . 19 1 1 A 82 82 GLU C C 82 178.500 178.631 -0.131 1
1 774 . 19 1 1 A 82 82 GLU CA C 82 59.000 59.157 -0.157 1
1 775 . 19 1 1 A 82 82 GLU CB C 82 28.700 28.883 -0.183 1
1 777 . 19 1 1 A 82 82 GLU N N 82 116.700 118.778 -2.078 1
1 778 . 19 1 1 A 83 83 GLU H H 83 8.070 7.822 0.248 1
1 779 . 19 1 1 A 83 83 GLU HA H 83 3.980 3.965 0.015 1
1 784 . 19 1 1 A 83 83 GLU C C 83 179.300 178.839 0.461 1
1 785 . 19 1 1 A 83 83 GLU CA C 83 60.900 59.213 1.687 1
1 786 . 19 1 1 A 83 83 GLU CB C 83 28.900 29.562 -0.662 1
1 788 . 19 1 1 A 83 83 GLU N N 83 120.300 119.948 0.352 1
1 789 . 19 1 1 A 84 84 LEU H H 84 8.480 8.383 0.097 1
1 790 . 19 1 1 A 84 84 LEU HA H 84 3.910 3.919 -0.009 1
1 800 . 19 1 1 A 84 84 LEU C C 84 178.200 179.002 -0.802 1
1 801 . 19 1 1 A 84 84 LEU CA C 84 57.000 58.065 -1.065 1
1 802 . 19 1 1 A 84 84 LEU CB C 84 40.800 41.370 -0.570 1
1 806 . 19 1 1 A 84 84 LEU N N 84 116.700 119.993 -3.293 1
1 807 . 19 1 1 A 85 85 GLN H H 85 7.130 7.727 -0.597 1
1 808 . 19 1 1 A 85 85 GLN HA H 85 4.140 4.059 0.081 1
1 815 . 19 1 1 A 85 85 GLN C C 85 176.300 177.249 -0.949 1
1 816 . 19 1 1 A 85 85 GLN CA C 85 57.900 58.419 -0.519 1
1 817 . 19 1 1 A 85 85 GLN CB C 85 28.900 28.287 0.613 1
1 819 . 19 1 1 A 85 85 GLN N N 85 115.400 116.469 -1.069 1
1 821 . 19 1 1 A 86 86 ASN H H 86 7.630 8.032 -0.402 1
1 822 . 19 1 1 A 86 86 ASN HA H 86 5.020 4.756 0.264 1
1 827 . 19 1 1 A 86 86 ASN C C 86 174.100 174.318 -0.218 1
1 828 . 19 1 1 A 86 86 ASN CA C 86 52.800 54.108 -1.308 1
1 829 . 19 1 1 A 86 86 ASN CB C 86 40.400 39.181 1.219 1
1 830 . 19 1 1 A 86 86 ASN N N 86 114.000 115.857 -1.857 1
1 832 . 19 1 1 A 87 87 ILE H H 87 7.300 7.977 -0.677 1
1 833 . 19 1 1 A 87 87 ILE HA H 87 4.320 4.612 -0.292 1
1 843 . 19 1 1 A 87 87 ILE C C 87 174.500 175.980 -1.480 1
1 844 . 19 1 1 A 87 87 ILE CA C 87 60.400 60.085 0.315 1
1 845 . 19 1 1 A 87 87 ILE CB C 87 40.600 40.803 -0.203 1
1 849 . 19 1 1 A 87 87 ILE N N 87 119.300 119.944 -0.644 1
1 850 . 19 1 1 A 88 88 HIS H H 88 9.140 8.861 0.279 1
1 851 . 19 1 1 A 88 88 HIS HA H 88 4.680 4.350 0.330 1
1 855 . 19 1 1 A 88 88 HIS CA C 88 57.300 59.682 -2.382 1
1 856 . 19 1 1 A 88 88 HIS CB C 88 30.200 30.360 -0.160 1
1 858 . 19 1 1 A 88 88 HIS N N 88 125.000 127.490 -2.490 1
1 859 . 19 1 1 A 89 89 ALA H H 89 7.600 7.880 -0.280 1
1 860 . 19 1 1 A 89 89 ALA HA H 89 4.620 4.554 0.066 1
1 864 . 19 1 1 A 89 89 ALA C C 89 174.300 175.915 -1.615 1
1 865 . 19 1 1 A 89 89 ALA CA C 89 52.300 51.630 0.670 1
1 866 . 19 1 1 A 89 89 ALA CB C 89 21.300 20.115 1.185 1
1 867 . 19 1 1 A 89 89 ALA N N 89 120.100 118.915 1.185 1
1 868 . 19 1 1 A 90 90 PHE H H 90 8.830 9.362 -0.532 1
1 869 . 19 1 1 A 90 90 PHE HA H 90 5.220 5.305 -0.085 1
1 877 . 19 1 1 A 90 90 PHE C C 90 173.700 174.135 -0.435 1
1 878 . 19 1 1 A 90 90 PHE CA C 90 57.200 56.943 0.257 1
1 879 . 19 1 1 A 90 90 PHE CB C 90 42.000 42.531 -0.531 1
1 885 . 19 1 1 A 90 90 PHE N N 90 126.100 127.298 -1.198 1
1 886 . 19 1 1 A 91 91 SER H H 91 8.320 8.401 -0.081 1
1 887 . 19 1 1 A 91 91 SER HA H 91 4.730 5.102 -0.372 1
1 891 . 19 1 1 A 91 91 SER C C 91 172.600 172.464 0.136 1
1 892 . 19 1 1 A 91 91 SER CA C 91 56.500 56.943 -0.443 1
1 893 . 19 1 1 A 91 91 SER CB C 91 64.100 65.853 -1.753 1
1 894 . 19 1 1 A 91 91 SER N N 91 123.100 122.902 0.198 1
1 895 . 19 1 1 A 92 92 MET H H 92 8.660 9.045 -0.385 1
1 896 . 19 1 1 A 92 92 MET HA H 92 5.490 5.678 -0.188 1
1 901 . 19 1 1 A 92 92 MET C C 92 174.300 174.525 -0.225 1
1 902 . 19 1 1 A 92 92 MET CA C 92 53.600 53.275 0.325 1
1 903 . 19 1 1 A 92 92 MET CB C 92 37.500 35.188 2.312 1
1 906 . 19 1 1 A 92 92 MET N N 92 119.600 121.241 -1.641 1
1 907 . 19 1 1 A 93 93 LYS H H 93 8.190 9.127 -0.937 1
1 908 . 19 1 1 A 93 93 LYS HA H 93 4.450 4.855 -0.405 1
1 917 . 19 1 1 A 93 93 LYS C C 93 174.400 175.723 -1.323 1
1 918 . 19 1 1 A 93 93 LYS CA C 93 55.400 55.051 0.349 1
1 919 . 19 1 1 A 93 93 LYS CB C 93 34.700 34.019 0.681 1
1 923 . 19 1 1 A 93 93 LYS N N 93 122.700 122.753 -0.053 1
1 924 . 19 1 1 A 94 94 CYS H H 94 8.340 8.755 -0.415 1
1 925 . 19 1 1 A 94 94 CYS HA H 94 4.960 4.855 0.105 1
1 928 . 19 1 1 A 94 94 CYS C C 94 173.600 174.245 -0.645 1
1 929 . 19 1 1 A 94 94 CYS CA C 94 56.600 58.264 -1.664 1
1 930 . 19 1 1 A 94 94 CYS CB C 94 29.800 28.324 1.476 1
1 931 . 19 1 1 A 94 94 CYS N N 94 120.300 125.282 -4.982 1
1 932 . 19 1 1 A 95 95 HIS H H 95 9.040 9.057 -0.017 1
1 933 . 19 1 1 A 95 95 HIS HA H 95 5.440 5.027 0.413 1
1 936 . 19 1 1 A 95 95 HIS C C 95 175.700 174.247 1.453 1
1 937 . 19 1 1 A 95 95 HIS CA C 95 53.600 55.017 -1.417 1
1 938 . 19 1 1 A 95 95 HIS CB C 95 35.300 34.987 0.313 1
1 939 . 19 1 1 A 95 95 HIS N N 95 122.000 121.892 0.108 1
1 940 . 19 1 1 A 96 96 THR H H 96 8.910 8.674 0.236 1
1 941 . 19 1 1 A 96 96 THR HA H 96 5.150 4.990 0.160 1
1 945 . 19 1 1 A 96 96 THR CA C 96 60.100 58.696 1.404 1
1 946 . 19 1 1 A 96 96 THR CB C 96 67.600 69.888 -2.288 1
1 948 . 19 1 1 A 96 96 THR N N 96 113.600 113.342 0.258 1
1 949 . 19 1 1 A 97 97 PRO HA H 97 4.060 4.446 -0.386 1
1 956 . 19 1 1 A 97 97 PRO C C 97 178.600 177.781 0.819 1
1 957 . 19 1 1 A 97 97 PRO CA C 97 66.600 65.427 1.173 1
1 958 . 19 1 1 A 97 97 PRO CB C 97 31.600 31.840 -0.240 1
1 961 . 19 1 1 A 98 98 LEU H H 98 8.410 7.855 0.555 1
1 962 . 19 1 1 A 98 98 LEU HA H 98 4.230 4.132 0.098 1
1 971 . 19 1 1 A 98 98 LEU C C 98 179.800 178.671 1.129 1
1 972 . 19 1 1 A 98 98 LEU CA C 98 58.200 57.748 0.452 1
1 973 . 19 1 1 A 98 98 LEU CB C 98 42.000 41.780 0.220 1
1 976 . 19 1 1 A 98 98 LEU N N 98 118.300 118.061 0.239 1
1 977 . 19 1 1 A 99 99 GLU H H 99 7.660 8.353 -0.693 1
1 978 . 19 1 1 A 99 99 GLU HA H 99 3.900 4.040 -0.140 1
1 983 . 19 1 1 A 99 99 GLU C C 99 180.200 178.669 1.531 1
1 984 . 19 1 1 A 99 99 GLU CA C 99 58.400 59.770 -1.370 1
1 985 . 19 1 1 A 99 99 GLU CB C 99 30.400 29.492 0.908 1
1 987 . 19 1 1 A 99 99 GLU N N 99 118.100 118.390 -0.290 1
1 988 . 19 1 1 A 100 100 TYR H H 100 8.770 8.178 0.592 1
1 989 . 19 1 1 A 100 100 TYR HA H 100 3.860 4.138 -0.278 1
1 996 . 19 1 1 A 100 100 TYR C C 100 176.800 177.482 -0.682 1
1 997 . 19 1 1 A 100 100 TYR CA C 100 60.800 61.276 -0.476 1
1 998 . 19 1 1 A 100 100 TYR CB C 100 39.200 38.608 0.592 1
1 1003 . 19 1 1 A 100 100 TYR N N 100 120.100 121.866 -1.766 1
1 1004 . 19 1 1 A 101 101 ASP H H 101 8.100 8.499 -0.399 1
1 1005 . 19 1 1 A 101 101 ASP HA H 101 4.180 4.309 -0.129 1
1 1008 . 19 1 1 A 101 101 ASP C C 101 178.700 178.475 0.225 1
1 1009 . 19 1 1 A 101 101 ASP CA C 101 57.300 57.594 -0.294 1
1 1010 . 19 1 1 A 101 101 ASP CB C 101 40.800 41.998 -1.198 1
1 1011 . 19 1 1 A 101 101 ASP N N 101 118.400 119.176 -0.776 1
1 1012 . 19 1 1 A 102 102 LYS H H 102 7.480 7.751 -0.271 1
1 1013 . 19 1 1 A 102 102 LYS HA H 102 4.070 4.088 -0.018 1
1 1020 . 19 1 1 A 102 102 LYS CA C 102 58.300 59.133 -0.833 1
1 1021 . 19 1 1 A 102 102 LYS CB C 102 32.300 32.140 0.160 1
1 1024 . 19 1 1 A 102 102 LYS N N 102 117.500 119.358 -1.858 1
1 1025 . 19 1 1 A 103 103 LEU H H 103 7.580 7.998 -0.418 1
1 1026 . 19 1 1 A 103 103 LEU HA H 103 4.050 3.870 0.180 1
1 1036 . 19 1 1 A 103 103 LEU C C 103 178.700 179.683 -0.983 1
1 1037 . 19 1 1 A 103 103 LEU CA C 103 56.800 57.754 -0.954 1
1 1038 . 19 1 1 A 103 103 LEU CB C 103 42.000 40.946 1.054 1
1 1042 . 19 1 1 A 103 103 LEU N N 103 120.100 119.961 0.139 1
1 1043 . 19 1 1 A 104 104 LYS H H 104 7.730 7.911 -0.181 1
1 1044 . 19 1 1 A 104 104 LYS HA H 104 3.960 3.940 0.020 1
1 1053 . 19 1 1 A 104 104 LYS CA C 104 56.700 58.508 -1.808 1
1 1054 . 19 1 1 A 104 104 LYS CB C 104 31.700 31.342 0.358 1
1 1058 . 19 1 1 A 104 104 LYS N N 104 118.500 118.333 0.167 1
1 1059 . 19 1 1 A 105 105 SER H H 105 7.790 7.484 0.306 1
1 1060 . 19 1 1 A 105 105 SER HA H 105 4.330 4.326 0.004 1
1 1063 . 19 1 1 A 105 105 SER C C 105 174.700 176.229 -1.529 1
1 1064 . 19 1 1 A 105 105 SER CA C 105 58.900 61.545 -2.645 1
1 1065 . 19 1 1 A 105 105 SER CB C 105 63.500 63.598 -0.098 1
1 1066 . 19 1 1 A 105 105 SER N N 105 114.900 117.394 -2.494 1
1 1067 . 19 1 1 A 106 106 LYS H H 106 8.000 7.796 0.204 1
1 1068 . 19 1 1 A 106 106 LYS HA H 106 4.300 4.547 -0.247 1
1 1077 . 19 1 1 A 106 106 LYS C C 106 177.000 177.160 -0.160 1
1 1078 . 19 1 1 A 106 106 LYS CA C 106 56.600 56.652 -0.052 1
1 1079 . 19 1 1 A 106 106 LYS CB C 106 32.800 34.093 -1.293 1
1 1081 . 19 1 1 A 106 106 LYS N N 106 122.400 114.868 7.532 1
1 1082 . 19 1 1 A 107 107 GLY H H 107 8.310 7.811 0.499 1
1 1083 . 19 1 1 A 107 107 GLY HA2 H 107 3.990 3.818 0.172 1
1 1084 . 19 1 1 A 107 107 GLY HA3 H 107 3.990 3.846 0.144 1
1 1085 . 19 1 1 A 107 107 GLY CA C 107 45.300 45.278 0.022 1
1 1086 . 19 1 1 A 107 107 GLY N N 107 110.000 108.755 1.245 1
1 1 . 20 1 1 A 11 11 SER HA H 11 4.510 4.464 0.046 1
1 4 . 20 1 1 A 11 11 SER C C 11 174.600 174.312 0.288 1
1 5 . 20 1 1 A 11 11 SER CA C 11 58.400 58.884 -0.484 1
1 6 . 20 1 1 A 11 11 SER CB C 11 63.800 63.676 0.124 1
1 7 . 20 1 1 A 12 12 SER H H 12 8.630 8.503 0.127 1
1 8 . 20 1 1 A 12 12 SER HA H 12 4.500 4.645 -0.145 1
1 11 . 20 1 1 A 12 12 SER C C 12 175.000 174.318 0.682 1
1 12 . 20 1 1 A 12 12 SER CA C 12 58.600 58.205 0.395 1
1 13 . 20 1 1 A 12 12 SER CB C 12 63.900 61.935 1.965 1
1 14 . 20 1 1 A 12 12 SER N N 12 118.300 121.485 -3.185 1
1 15 . 20 1 1 A 13 13 GLY H H 13 8.560 8.016 0.544 1
1 16 . 20 1 1 A 13 13 GLY HA2 H 13 4.050 4.154 -0.104 1
1 17 . 20 1 1 A 13 13 GLY HA3 H 13 4.050 4.162 -0.112 1
1 18 . 20 1 1 A 13 13 GLY C C 13 174.300 174.536 -0.236 1
1 19 . 20 1 1 A 13 13 GLY CA C 13 45.400 45.898 -0.498 1
1 20 . 20 1 1 A 13 13 GLY N N 13 111.000 112.609 -1.609 1
1 21 . 20 1 1 A 14 14 ARG H H 14 8.260 8.385 -0.125 1
1 22 . 20 1 1 A 14 14 ARG HA H 14 4.320 4.501 -0.181 1
1 29 . 20 1 1 A 14 14 ARG C C 14 176.400 177.448 -1.048 1
1 30 . 20 1 1 A 14 14 ARG CA C 14 56.300 56.777 -0.477 1
1 31 . 20 1 1 A 14 14 ARG CB C 14 30.600 31.577 -0.977 1
1 34 . 20 1 1 A 14 14 ARG N N 14 120.400 118.899 1.501 1
1 35 . 20 1 1 A 15 15 GLU H H 15 8.660 8.342 0.318 1
1 36 . 20 1 1 A 15 15 GLU HA H 15 4.210 4.485 -0.275 1
1 41 . 20 1 1 A 15 15 GLU C C 15 176.200 177.461 -1.261 1
1 42 . 20 1 1 A 15 15 GLU CA C 15 57.200 57.421 -0.221 1
1 43 . 20 1 1 A 15 15 GLU CB C 15 29.700 29.838 -0.138 1
1 45 . 20 1 1 A 15 15 GLU N N 15 121.100 117.708 3.392 1
1 46 . 20 1 1 A 16 16 ASN H H 16 8.420 8.601 -0.181 1
1 47 . 20 1 1 A 16 16 ASN HA H 16 4.680 4.606 0.074 1
1 52 . 20 1 1 A 16 16 ASN C C 16 175.100 176.062 -0.962 1
1 53 . 20 1 1 A 16 16 ASN CA C 16 53.300 54.180 -0.880 1
1 54 . 20 1 1 A 16 16 ASN CB C 16 38.700 37.002 1.698 1
1 55 . 20 1 1 A 16 16 ASN N N 16 118.900 119.278 -0.378 1
1 57 . 20 1 1 A 17 17 LEU H H 17 8.110 7.685 0.425 1
1 58 . 20 1 1 A 17 17 LEU HA H 17 4.210 4.257 -0.047 1
1 68 . 20 1 1 A 17 17 LEU C C 17 177.000 176.458 0.542 1
1 69 . 20 1 1 A 17 17 LEU CA C 17 55.600 55.915 -0.315 1
1 70 . 20 1 1 A 17 17 LEU CB C 17 42.200 42.236 -0.036 1
1 74 . 20 1 1 A 17 17 LEU N N 17 121.900 117.912 3.988 1
1 75 . 20 1 1 A 18 18 TYR H H 18 8.070 7.944 0.126 1
1 76 . 20 1 1 A 18 18 TYR HA H 18 4.530 4.653 -0.123 1
1 83 . 20 1 1 A 18 18 TYR C C 18 175.700 175.819 -0.119 1
1 84 . 20 1 1 A 18 18 TYR CA C 18 58.000 56.815 1.185 1
1 85 . 20 1 1 A 18 18 TYR CB C 18 38.700 37.419 1.281 1
1 90 . 20 1 1 A 18 18 TYR N N 18 119.500 118.829 0.671 1
1 91 . 20 1 1 A 19 19 PHE H H 19 8.120 7.525 0.595 1
1 92 . 20 1 1 A 19 19 PHE HA H 19 4.560 4.726 -0.166 1
1 99 . 20 1 1 A 19 19 PHE C C 19 175.500 176.456 -0.956 1
1 100 . 20 1 1 A 19 19 PHE CA C 19 57.900 57.502 0.398 1
1 101 . 20 1 1 A 19 19 PHE CB C 19 39.500 39.550 -0.050 1
1 106 . 20 1 1 A 19 19 PHE N N 19 121.200 120.770 0.430 1
1 107 . 20 1 1 A 20 20 GLN H H 20 8.300 7.519 0.781 1
1 108 . 20 1 1 A 20 20 GLN HA H 20 4.200 3.976 0.224 1
1 115 . 20 1 1 A 20 20 GLN C C 20 176.000 176.394 -0.394 1
1 116 . 20 1 1 A 20 20 GLN CA C 20 56.100 57.856 -1.756 1
1 117 . 20 1 1 A 20 20 GLN CB C 20 29.100 28.594 0.506 1
1 119 . 20 1 1 A 20 20 GLN N N 20 121.700 118.506 3.194 1
1 121 . 20 1 1 A 21 21 GLY H H 21 7.970 7.841 0.129 1
1 122 . 20 1 1 A 21 21 GLY HA2 H 21 3.940 3.864 0.076 1
1 123 . 20 1 1 A 21 21 GLY HA3 H 21 3.830 3.871 -0.041 1
1 124 . 20 1 1 A 21 21 GLY CA C 21 45.400 45.973 -0.573 1
1 125 . 20 1 1 A 21 21 GLY N N 21 108.500 107.838 0.662 1
1 126 . 20 1 1 A 22 22 HIS H H 22 8.280 8.672 -0.392 1
1 127 . 20 1 1 A 22 22 HIS C C 22 174.000 174.820 -0.820 1
1 128 . 20 1 1 A 22 22 HIS CA C 22 56.000 56.213 -0.213 1
1 129 . 20 1 1 A 22 22 HIS CB C 22 29.900 31.125 -1.225 1
1 130 . 20 1 1 A 22 22 HIS N N 22 118.700 124.502 -5.802 1
1 134 . 20 1 1 A 23 23 MET C C 23 175.900 175.006 0.894 1
1 135 . 20 1 1 A 23 23 MET CB C 23 32.700 32.688 0.012 1
1 137 . 20 1 1 A 24 24 CYS H H 24 8.390 8.299 0.091 1
1 138 . 20 1 1 A 24 24 CYS HA H 24 4.620 4.548 0.072 1
1 141 . 20 1 1 A 24 24 CYS C C 24 175.400 175.702 -0.302 1
1 142 . 20 1 1 A 24 24 CYS CA C 24 58.000 58.699 -0.699 1
1 143 . 20 1 1 A 24 24 CYS CB C 24 27.900 27.843 0.057 1
1 144 . 20 1 1 A 24 24 CYS N N 24 120.600 125.749 -5.149 1
1 145 . 20 1 1 A 25 25 ILE H H 25 8.550 8.610 -0.060 1
1 146 . 20 1 1 A 25 25 ILE HA H 25 4.010 3.928 0.082 1
1 156 . 20 1 1 A 25 25 ILE C C 25 176.200 176.799 -0.599 1
1 157 . 20 1 1 A 25 25 ILE CA C 25 63.400 64.061 -0.661 1
1 158 . 20 1 1 A 25 25 ILE CB C 25 38.100 37.734 0.366 1
1 162 . 20 1 1 A 25 25 ILE N N 25 124.600 127.611 -3.011 1
1 163 . 20 1 1 A 26 26 GLN H H 26 8.860 8.198 0.662 1
1 164 . 20 1 1 A 26 26 GLN HA H 26 3.340 3.829 -0.489 1
1 171 . 20 1 1 A 26 26 GLN C C 26 176.800 177.983 -1.183 1
1 172 . 20 1 1 A 26 26 GLN CA C 26 60.200 58.984 1.216 1
1 173 . 20 1 1 A 26 26 GLN CB C 26 27.800 28.034 -0.234 1
1 175 . 20 1 1 A 26 26 GLN N N 26 121.900 121.374 0.526 1
1 177 . 20 1 1 A 27 27 LYS H H 27 7.340 7.486 -0.146 1
1 178 . 20 1 1 A 27 27 LYS HA H 27 4.070 4.164 -0.094 1
1 181 . 20 1 1 A 27 27 LYS C C 27 177.900 179.006 -1.106 1
1 182 . 20 1 1 A 27 27 LYS CA C 27 58.300 58.859 -0.559 1
1 183 . 20 1 1 A 27 27 LYS CB C 27 31.800 31.870 -0.070 1
1 187 . 20 1 1 A 27 27 LYS N N 27 117.700 119.765 -2.065 1
1 188 . 20 1 1 A 28 28 VAL H H 28 7.570 7.667 -0.097 1
1 189 . 20 1 1 A 28 28 VAL HA H 28 3.680 3.639 0.041 1
1 197 . 20 1 1 A 28 28 VAL C C 28 178.600 178.050 0.550 1
1 198 . 20 1 1 A 28 28 VAL CA C 28 66.400 66.284 0.116 1
1 199 . 20 1 1 A 28 28 VAL CB C 28 31.800 31.459 0.341 1
1 202 . 20 1 1 A 28 28 VAL N N 28 119.900 119.953 -0.053 1
1 203 . 20 1 1 A 29 29 ILE H H 29 8.180 8.368 -0.188 1
1 204 . 20 1 1 A 29 29 ILE HA H 29 3.290 3.801 -0.511 1
1 212 . 20 1 1 A 29 29 ILE C C 29 177.500 177.949 -0.449 1
1 213 . 20 1 1 A 29 29 ILE CA C 29 65.900 65.745 0.155 1
1 214 . 20 1 1 A 29 29 ILE CB C 29 37.600 37.714 -0.114 1
1 218 . 20 1 1 A 29 29 ILE N N 29 118.500 119.928 -1.428 1
1 219 . 20 1 1 A 30 30 GLU H H 30 8.370 8.456 -0.086 1
1 220 . 20 1 1 A 30 30 GLU HA H 30 3.610 3.859 -0.249 1
1 225 . 20 1 1 A 30 30 GLU C C 30 179.000 178.435 0.565 1
1 226 . 20 1 1 A 30 30 GLU CA C 30 60.400 59.890 0.510 1
1 227 . 20 1 1 A 30 30 GLU CB C 30 29.600 29.232 0.368 1
1 229 . 20 1 1 A 30 30 GLU N N 30 119.200 120.426 -1.226 1
1 230 . 20 1 1 A 31 31 ASP H H 31 8.710 8.185 0.525 1
1 231 . 20 1 1 A 31 31 ASP HA H 31 4.370 4.291 0.079 1
1 234 . 20 1 1 A 31 31 ASP CA C 31 57.600 57.319 0.281 1
1 235 . 20 1 1 A 31 31 ASP CB C 31 40.200 41.110 -0.910 1
1 236 . 20 1 1 A 31 31 ASP N N 31 125.100 120.268 4.832 1
1 237 . 20 1 1 A 32 32 LYS H H 32 8.430 7.603 0.827 1
1 238 . 20 1 1 A 32 32 LYS HA H 32 4.030 4.023 0.007 1
1 243 . 20 1 1 A 32 32 LYS C C 32 180.300 179.558 0.742 1
1 244 . 20 1 1 A 32 32 LYS CA C 32 60.400 59.553 0.847 1
1 245 . 20 1 1 A 32 32 LYS CB C 32 33.100 32.115 0.985 1
1 248 . 20 1 1 A 32 32 LYS N N 32 120.700 118.790 1.910 1
1 249 . 20 1 1 A 33 33 LEU H H 33 8.580 7.658 0.922 1
1 250 . 20 1 1 A 33 33 LEU HA H 33 4.000 4.018 -0.018 1
1 260 . 20 1 1 A 33 33 LEU C C 33 179.200 178.809 0.391 1
1 261 . 20 1 1 A 33 33 LEU CA C 33 58.000 57.806 0.194 1
1 262 . 20 1 1 A 33 33 LEU CB C 33 42.500 41.121 1.379 1
1 266 . 20 1 1 A 33 33 LEU N N 33 117.200 118.608 -1.408 1
1 267 . 20 1 1 A 34 34 SER H H 34 8.670 7.924 0.746 1
1 268 . 20 1 1 A 34 34 SER HA H 34 4.100 4.163 -0.063 1
1 271 . 20 1 1 A 34 34 SER C C 34 176.900 177.327 -0.427 1
1 272 . 20 1 1 A 34 34 SER CA C 34 62.500 61.528 0.972 1
1 273 . 20 1 1 A 34 34 SER CB C 34 62.500 62.746 -0.246 1
1 274 . 20 1 1 A 34 34 SER N N 34 115.500 115.460 0.040 1
1 275 . 20 1 1 A 35 35 SER H H 35 8.080 8.231 -0.151 1
1 276 . 20 1 1 A 35 35 SER HA H 35 4.200 4.122 0.078 1
1 279 . 20 1 1 A 35 35 SER C C 35 175.900 176.100 -0.200 1
1 280 . 20 1 1 A 35 35 SER CA C 35 60.900 61.448 -0.548 1
1 281 . 20 1 1 A 35 35 SER CB C 35 62.900 62.968 -0.068 1
1 282 . 20 1 1 A 35 35 SER N N 35 115.300 116.068 -0.768 1
1 283 . 20 1 1 A 36 36 ALA H H 36 7.570 7.762 -0.192 1
1 284 . 20 1 1 A 36 36 ALA HA H 36 4.340 4.135 0.205 1
1 288 . 20 1 1 A 36 36 ALA C C 36 179.200 179.928 -0.728 1
1 289 . 20 1 1 A 36 36 ALA CA C 36 54.300 54.607 -0.307 1
1 290 . 20 1 1 A 36 36 ALA CB C 36 20.900 18.893 2.007 1
1 291 . 20 1 1 A 36 36 ALA N N 36 119.000 123.525 -4.525 1
1 292 . 20 1 1 A 37 37 LEU H H 37 7.960 8.005 -0.045 1
1 293 . 20 1 1 A 37 37 LEU HA H 37 4.530 4.309 0.221 1
1 303 . 20 1 1 A 37 37 LEU CA C 37 53.500 55.179 -1.679 1
1 304 . 20 1 1 A 37 37 LEU CB C 37 42.600 42.413 0.187 1
1 308 . 20 1 1 A 37 37 LEU N N 37 111.800 116.290 -4.490 1
1 309 . 20 1 1 A 38 38 LYS H H 38 7.600 8.155 -0.555 1
1 310 . 20 1 1 A 38 38 LYS HA H 38 4.250 4.134 0.116 1
1 313 . 20 1 1 A 38 38 LYS CA C 38 56.200 57.168 -0.968 1
1 314 . 20 1 1 A 38 38 LYS CB C 38 30.800 31.030 -0.230 1
1 315 . 20 1 1 A 38 38 LYS N N 38 117.200 119.376 -2.176 1
1 316 . 20 1 1 A 39 39 PRO HA H 39 4.670 4.682 -0.012 1
1 323 . 20 1 1 A 39 39 PRO C C 39 178.100 177.231 0.869 1
1 324 . 20 1 1 A 39 39 PRO CA C 39 63.300 61.914 1.386 1
1 325 . 20 1 1 A 39 39 PRO CB C 39 32.700 32.695 0.005 1
1 328 . 20 1 1 A 40 40 THR H H 40 8.500 8.652 -0.152 1
1 329 . 20 1 1 A 40 40 THR HA H 40 4.290 4.276 0.014 1
1 334 . 20 1 1 A 40 40 THR C C 40 175.700 174.655 1.045 1
1 335 . 20 1 1 A 40 40 THR CA C 40 63.200 63.313 -0.113 1
1 336 . 20 1 1 A 40 40 THR CB C 40 67.600 69.164 -1.564 1
1 338 . 20 1 1 A 40 40 THR N N 40 114.500 112.284 2.216 1
1 339 . 20 1 1 A 41 41 PHE H H 41 7.300 7.433 -0.133 1
1 340 . 20 1 1 A 41 41 PHE HA H 41 4.510 4.765 -0.255 1
1 347 . 20 1 1 A 41 41 PHE C C 41 171.500 173.118 -1.618 1
1 348 . 20 1 1 A 41 41 PHE CA C 41 58.800 56.819 1.981 1
1 349 . 20 1 1 A 41 41 PHE CB C 41 41.000 42.039 -1.039 1
1 354 . 20 1 1 A 41 41 PHE N N 41 121.100 121.603 -0.503 1
1 355 . 20 1 1 A 42 42 LEU H H 42 7.530 8.520 -0.990 1
1 356 . 20 1 1 A 42 42 LEU HA H 42 4.910 4.929 -0.019 1
1 366 . 20 1 1 A 42 42 LEU C C 42 173.700 173.940 -0.240 1
1 367 . 20 1 1 A 42 42 LEU CA C 42 53.500 54.074 -0.574 1
1 368 . 20 1 1 A 42 42 LEU CB C 42 45.300 45.850 -0.550 1
1 372 . 20 1 1 A 42 42 LEU N N 42 129.100 129.003 0.097 1
1 373 . 20 1 1 A 43 43 GLU H H 43 8.690 8.660 0.030 1
1 374 . 20 1 1 A 43 43 GLU HA H 43 4.400 4.953 -0.553 1
1 379 . 20 1 1 A 43 43 GLU C C 43 173.500 174.639 -1.139 1
1 380 . 20 1 1 A 43 43 GLU CA C 43 55.800 54.450 1.350 1
1 381 . 20 1 1 A 43 43 GLU CB C 43 34.100 33.235 0.865 1
1 383 . 20 1 1 A 43 43 GLU N N 43 126.900 127.668 -0.768 1
1 384 . 20 1 1 A 44 44 LEU H H 44 9.000 8.724 0.276 1
1 385 . 20 1 1 A 44 44 LEU HA H 44 5.130 4.871 0.259 1
1 395 . 20 1 1 A 44 44 LEU C C 44 175.100 176.069 -0.969 1
1 396 . 20 1 1 A 44 44 LEU CA C 44 53.700 53.709 -0.009 1
1 397 . 20 1 1 A 44 44 LEU CB C 44 44.600 41.296 3.304 1
1 401 . 20 1 1 A 44 44 LEU N N 44 129.900 128.573 1.327 1
1 402 . 20 1 1 A 45 45 VAL H H 45 9.000 9.318 -0.318 1
1 403 . 20 1 1 A 45 45 VAL HA H 45 4.370 4.417 -0.047 1
1 411 . 20 1 1 A 45 45 VAL C C 45 175.100 175.265 -0.165 1
1 412 . 20 1 1 A 45 45 VAL CA C 45 61.200 60.995 0.205 1
1 413 . 20 1 1 A 45 45 VAL CB C 45 35.400 34.182 1.218 1
1 416 . 20 1 1 A 45 45 VAL N N 45 122.300 124.939 -2.639 1
1 417 . 20 1 1 A 46 46 ASP H H 46 9.080 8.568 0.512 1
1 418 . 20 1 1 A 46 46 ASP HA H 46 4.530 4.756 -0.226 1
1 421 . 20 1 1 A 46 46 ASP C C 46 176.900 175.764 1.136 1
1 422 . 20 1 1 A 46 46 ASP CA C 46 53.900 54.001 -0.101 1
1 423 . 20 1 1 A 46 46 ASP CB C 46 40.600 40.991 -0.391 1
1 424 . 20 1 1 A 46 46 ASP N N 46 127.400 127.180 0.220 1
1 425 . 20 1 1 A 47 47 LYS H H 47 8.490 8.553 -0.063 1
1 426 . 20 1 1 A 47 47 LYS HA H 47 4.560 4.313 0.247 1
1 427 . 20 1 1 A 47 47 LYS CA C 47 54.200 58.249 -4.049 1
1 428 . 20 1 1 A 47 47 LYS CB C 47 30.400 33.384 -2.984 1
1 429 . 20 1 1 A 47 47 LYS N N 47 129.500 128.101 1.399 1
1 430 . 20 1 1 A 54 54 SER HA H 54 5.550 5.382 0.168 1
1 433 . 20 1 1 A 54 54 SER C C 54 172.900 172.705 0.195 1
1 434 . 20 1 1 A 54 54 SER CA C 54 57.300 57.616 -0.316 1
1 435 . 20 1 1 A 54 54 SER CB C 54 65.800 65.771 0.029 1
1 436 . 20 1 1 A 55 55 PHE H H 55 8.340 8.912 -0.572 1
1 437 . 20 1 1 A 55 55 PHE HA H 55 5.700 5.090 0.610 1
1 442 . 20 1 1 A 55 55 PHE C C 55 174.400 173.891 0.509 1
1 443 . 20 1 1 A 55 55 PHE CA C 55 56.700 56.408 0.292 1
1 444 . 20 1 1 A 55 55 PHE CB C 55 45.300 41.681 3.619 1
1 447 . 20 1 1 A 55 55 PHE N N 55 119.600 124.541 -4.941 1
1 448 . 20 1 1 A 56 56 ASP H H 56 8.840 9.045 -0.205 1
1 449 . 20 1 1 A 56 56 ASP HA H 56 5.350 5.318 0.032 1
1 452 . 20 1 1 A 56 56 ASP C C 56 174.400 174.383 0.017 1
1 453 . 20 1 1 A 56 56 ASP CA C 56 52.900 52.438 0.462 1
1 454 . 20 1 1 A 56 56 ASP CB C 56 43.700 44.445 -0.745 1
1 455 . 20 1 1 A 56 56 ASP N N 56 121.500 123.999 -2.499 1
1 456 . 20 1 1 A 57 57 ALA H H 57 8.780 8.806 -0.026 1
1 457 . 20 1 1 A 57 57 ALA HA H 57 5.620 5.256 0.364 1
1 461 . 20 1 1 A 57 57 ALA C C 57 176.400 175.906 0.494 1
1 462 . 20 1 1 A 57 57 ALA CA C 57 50.200 50.169 0.031 1
1 463 . 20 1 1 A 57 57 ALA CB C 57 23.600 20.710 2.890 1
1 464 . 20 1 1 A 57 57 ALA N N 57 125.000 129.402 -4.402 1
1 465 . 20 1 1 A 58 58 VAL H H 58 9.080 8.574 0.506 1
1 466 . 20 1 1 A 58 58 VAL HA H 58 4.580 4.223 0.357 1
1 474 . 20 1 1 A 58 58 VAL C C 58 175.000 175.619 -0.619 1
1 475 . 20 1 1 A 58 58 VAL CA C 58 62.800 62.581 0.219 1
1 476 . 20 1 1 A 58 58 VAL CB C 58 34.100 31.586 2.514 1
1 479 . 20 1 1 A 58 58 VAL N N 58 125.100 123.129 1.971 1
1 480 . 20 1 1 A 59 59 ILE H H 59 8.750 8.844 -0.094 1
1 481 . 20 1 1 A 59 59 ILE HA H 59 4.430 4.968 -0.538 1
1 489 . 20 1 1 A 59 59 ILE C C 59 173.900 174.605 -0.705 1
1 490 . 20 1 1 A 59 59 ILE CA C 59 60.900 59.479 1.421 1
1 491 . 20 1 1 A 59 59 ILE CB C 59 41.100 39.816 1.284 1
1 495 . 20 1 1 A 59 59 ILE N N 59 125.000 124.057 0.943 1
1 496 . 20 1 1 A 60 60 VAL H H 60 8.540 9.036 -0.496 1
1 497 . 20 1 1 A 60 60 VAL HA H 60 5.540 5.047 0.493 1
1 505 . 20 1 1 A 60 60 VAL C C 60 175.900 174.545 1.355 1
1 506 . 20 1 1 A 60 60 VAL CA C 60 60.200 61.468 -1.268 1
1 507 . 20 1 1 A 60 60 VAL CB C 60 31.800 33.175 -1.375 1
1 510 . 20 1 1 A 60 60 VAL N N 60 128.600 124.876 3.724 1
1 511 . 20 1 1 A 61 61 SER H H 61 8.720 8.648 0.072 1
1 512 . 20 1 1 A 61 61 SER HA H 61 5.000 5.152 -0.152 1
1 515 . 20 1 1 A 61 61 SER C C 61 175.700 173.995 1.705 1
1 516 . 20 1 1 A 61 61 SER CA C 61 56.500 56.577 -0.077 1
1 517 . 20 1 1 A 61 61 SER CB C 61 64.400 65.246 -0.846 1
1 518 . 20 1 1 A 61 61 SER N N 61 115.900 121.570 -5.670 1
1 519 . 20 1 1 A 62 62 ASN H H 62 9.650 9.190 0.460 1
1 520 . 20 1 1 A 62 62 ASN HA H 62 4.670 4.562 0.108 1
1 525 . 20 1 1 A 62 62 ASN CA C 62 56.500 55.634 0.866 1
1 526 . 20 1 1 A 62 62 ASN CB C 62 38.600 38.132 0.468 1
1 528 . 20 1 1 A 62 62 ASN N N 62 129.400 123.958 5.442 1
1 530 . 20 1 1 A 63 63 ASN H H 63 8.920 8.211 0.709 1
1 531 . 20 1 1 A 63 63 ASN HA H 63 4.490 4.636 -0.146 1
1 536 . 20 1 1 A 63 63 ASN C C 63 175.200 176.450 -1.250 1
1 537 . 20 1 1 A 63 63 ASN CA C 63 55.700 54.803 0.897 1
1 538 . 20 1 1 A 63 63 ASN CB C 63 37.600 38.221 -0.621 1
1 539 . 20 1 1 A 63 63 ASN N N 63 119.500 118.037 1.463 1
1 541 . 20 1 1 A 64 64 PHE H H 64 6.950 7.697 -0.747 1
1 542 . 20 1 1 A 64 64 PHE HA H 64 4.690 4.561 0.129 1
1 545 . 20 1 1 A 64 64 PHE C C 64 174.200 177.021 -2.821 1
1 546 . 20 1 1 A 64 64 PHE CA C 64 54.900 59.662 -4.762 1
1 547 . 20 1 1 A 64 64 PHE CB C 64 37.500 39.969 -2.469 1
1 548 . 20 1 1 A 64 64 PHE N N 64 113.700 120.180 -6.480 1
1 549 . 20 1 1 A 65 65 GLU H H 65 7.470 8.825 -1.355 1
1 550 . 20 1 1 A 65 65 GLU HA H 65 4.010 3.992 0.018 1
1 555 . 20 1 1 A 65 65 GLU C C 65 174.800 177.152 -2.352 1
1 556 . 20 1 1 A 65 65 GLU CA C 65 58.400 58.245 0.155 1
1 557 . 20 1 1 A 65 65 GLU CB C 65 29.700 28.103 1.597 1
1 559 . 20 1 1 A 65 65 GLU N N 65 120.500 117.458 3.042 1
1 560 . 20 1 1 A 66 66 ASP H H 66 9.010 7.867 1.143 1
1 561 . 20 1 1 A 66 66 ASP HA H 66 4.390 4.575 -0.185 1
1 564 . 20 1 1 A 66 66 ASP C C 66 175.000 176.184 -1.184 1
1 565 . 20 1 1 A 66 66 ASP CA C 66 55.800 54.083 1.717 1
1 566 . 20 1 1 A 66 66 ASP CB C 66 39.800 40.951 -1.151 1
1 567 . 20 1 1 A 66 66 ASP N N 66 119.200 118.776 0.424 1
1 568 . 20 1 1 A 67 67 LYS H H 67 7.800 7.666 0.134 1
1 569 . 20 1 1 A 67 67 LYS C C 67 177.400 175.518 1.882 1
1 570 . 20 1 1 A 67 67 LYS CA C 67 54.700 57.227 -2.527 1
1 571 . 20 1 1 A 67 67 LYS CB C 67 38.400 29.886 8.514 1
1 575 . 20 1 1 A 67 67 LYS N N 67 117.200 118.324 -1.124 1
1 576 . 20 1 1 A 68 68 LYS H H 68 9.340 7.969 1.371 1
1 577 . 20 1 1 A 68 68 LYS HA H 68 4.400 4.242 0.158 1
1 586 . 20 1 1 A 68 68 LYS C C 68 177.500 177.108 0.392 1
1 587 . 20 1 1 A 68 68 LYS CA C 68 55.900 56.392 -0.492 1
1 588 . 20 1 1 A 68 68 LYS CB C 68 32.700 32.337 0.363 1
1 592 . 20 1 1 A 68 68 LYS N N 68 125.800 120.897 4.903 1
1 593 . 20 1 1 A 69 69 LEU H H 69 8.710 8.860 -0.150 1
1 594 . 20 1 1 A 69 69 LEU HA H 69 3.630 4.145 -0.515 1
1 603 . 20 1 1 A 69 69 LEU C C 69 178.400 178.339 0.061 1
1 604 . 20 1 1 A 69 69 LEU CA C 69 60.300 58.177 2.123 1
1 605 . 20 1 1 A 69 69 LEU CB C 69 41.600 41.787 -0.187 1
1 608 . 20 1 1 A 69 69 LEU N N 69 124.300 127.307 -3.007 1
1 609 . 20 1 1 A 70 70 LEU H H 70 8.700 8.068 0.632 1
1 610 . 20 1 1 A 70 70 LEU HA H 70 3.930 3.995 -0.065 1
1 620 . 20 1 1 A 70 70 LEU C C 70 179.400 178.381 1.019 1
1 621 . 20 1 1 A 70 70 LEU CA C 70 58.200 57.981 0.219 1
1 622 . 20 1 1 A 70 70 LEU CB C 70 41.700 41.148 0.552 1
1 626 . 20 1 1 A 70 70 LEU N N 70 116.100 116.975 -0.875 1
1 627 . 20 1 1 A 71 71 ASP H H 71 7.130 8.420 -1.290 1
1 628 . 20 1 1 A 71 71 ASP HA H 71 4.660 4.327 0.333 1
1 631 . 20 1 1 A 71 71 ASP C C 71 179.000 178.064 0.936 1
1 632 . 20 1 1 A 71 71 ASP CA C 71 57.100 57.876 -0.776 1
1 633 . 20 1 1 A 71 71 ASP CB C 71 40.800 41.344 -0.544 1
1 634 . 20 1 1 A 71 71 ASP N N 71 117.600 119.692 -2.092 1
1 635 . 20 1 1 A 72 72 ARG H H 72 8.190 7.793 0.397 1
1 636 . 20 1 1 A 72 72 ARG HA H 72 3.930 4.159 -0.229 1
1 637 . 20 1 1 A 72 72 ARG C C 72 177.000 178.544 -1.544 1
1 638 . 20 1 1 A 72 72 ARG CA C 72 60.100 58.925 1.175 1
1 639 . 20 1 1 A 72 72 ARG CB C 72 29.300 29.903 -0.603 1
1 642 . 20 1 1 A 72 72 ARG N N 72 122.200 118.168 4.032 1
1 643 . 20 1 1 A 73 73 HIS H H 73 8.030 8.265 -0.235 1
1 644 . 20 1 1 A 73 73 HIS HA H 73 4.100 4.303 -0.203 1
1 648 . 20 1 1 A 73 73 HIS C C 73 177.300 177.026 0.274 1
1 649 . 20 1 1 A 73 73 HIS CA C 73 58.100 59.924 -1.824 1
1 650 . 20 1 1 A 73 73 HIS CB C 73 30.200 29.460 0.740 1
1 652 . 20 1 1 A 73 73 HIS N N 73 116.800 120.276 -3.476 1
1 653 . 20 1 1 A 74 74 ARG H H 74 8.290 8.174 0.116 1
1 654 . 20 1 1 A 74 74 ARG HA H 74 4.080 3.978 0.102 1
1 661 . 20 1 1 A 74 74 ARG C C 74 178.700 178.736 -0.036 1
1 662 . 20 1 1 A 74 74 ARG CA C 74 59.700 58.894 0.806 1
1 663 . 20 1 1 A 74 74 ARG CB C 74 30.400 30.203 0.197 1
1 666 . 20 1 1 A 74 74 ARG N N 74 118.200 118.421 -0.221 1
1 667 . 20 1 1 A 75 75 LEU H H 75 7.740 7.843 -0.103 1
1 668 . 20 1 1 A 75 75 LEU HA H 75 4.270 4.050 0.220 1
1 678 . 20 1 1 A 75 75 LEU CA C 75 58.300 58.016 0.284 1
1 679 . 20 1 1 A 75 75 LEU CB C 75 42.000 42.256 -0.256 1
1 683 . 20 1 1 A 75 75 LEU N N 75 121.200 121.224 -0.024 1
1 684 . 20 1 1 A 76 76 VAL H H 76 7.590 8.290 -0.700 1
1 685 . 20 1 1 A 76 76 VAL HA H 76 3.360 3.473 -0.113 1
1 693 . 20 1 1 A 76 76 VAL C C 76 176.800 177.336 -0.536 1
1 694 . 20 1 1 A 76 76 VAL CA C 76 67.500 66.774 0.726 1
1 695 . 20 1 1 A 76 76 VAL CB C 76 31.500 31.290 0.210 1
1 698 . 20 1 1 A 76 76 VAL N N 76 119.300 117.577 1.723 1
1 699 . 20 1 1 A 77 77 ASN H H 77 8.690 8.184 0.506 1
1 700 . 20 1 1 A 77 77 ASN HA H 77 4.190 4.416 -0.226 1
1 705 . 20 1 1 A 77 77 ASN C C 77 178.000 178.261 -0.261 1
1 706 . 20 1 1 A 77 77 ASN CA C 77 55.400 55.889 -0.489 1
1 707 . 20 1 1 A 77 77 ASN CB C 77 37.600 37.593 0.007 1
1 708 . 20 1 1 A 77 77 ASN N N 77 117.100 118.605 -1.505 1
1 710 . 20 1 1 A 78 78 THR H H 78 8.050 7.803 0.247 1
1 711 . 20 1 1 A 78 78 THR HA H 78 3.970 3.966 0.004 1
1 716 . 20 1 1 A 78 78 THR C C 78 176.900 176.164 0.736 1
1 717 . 20 1 1 A 78 78 THR CA C 78 66.700 67.287 -0.587 1
1 718 . 20 1 1 A 78 78 THR CB C 78 68.800 68.684 0.116 1
1 720 . 20 1 1 A 78 78 THR N N 78 116.300 118.106 -1.806 1
1 721 . 20 1 1 A 79 79 ILE H H 79 8.020 7.543 0.477 1
1 722 . 20 1 1 A 79 79 ILE HA H 79 3.670 3.884 -0.214 1
1 730 . 20 1 1 A 79 79 ILE CA C 79 65.000 63.805 1.195 1
1 731 . 20 1 1 A 79 79 ILE CB C 79 38.500 38.050 0.450 1
1 734 . 20 1 1 A 79 79 ILE N N 79 124.800 120.025 4.775 1
1 735 . 20 1 1 A 80 80 LEU H H 80 7.770 8.259 -0.489 1
1 745 . 20 1 1 A 80 80 LEU C C 80 176.000 178.321 -2.321 1
1 746 . 20 1 1 A 80 80 LEU CA C 80 52.900 55.300 -2.400 1
1 747 . 20 1 1 A 80 80 LEU CB C 80 41.100 41.461 -0.361 1
1 751 . 20 1 1 A 80 80 LEU N N 80 115.200 120.115 -4.915 1
1 752 . 20 1 1 A 81 81 LYS H H 81 6.880 7.645 -0.765 1
1 753 . 20 1 1 A 81 81 LYS HA H 81 3.820 3.856 -0.036 1
1 762 . 20 1 1 A 81 81 LYS C C 81 178.400 179.127 -0.727 1
1 763 . 20 1 1 A 81 81 LYS CA C 81 60.700 59.807 0.893 1
1 764 . 20 1 1 A 81 81 LYS CB C 81 32.800 32.480 0.320 1
1 768 . 20 1 1 A 81 81 LYS N N 81 120.300 121.203 -0.903 1
1 769 . 20 1 1 A 82 82 GLU H H 82 8.620 8.029 0.591 1
1 770 . 20 1 1 A 82 82 GLU HA H 82 4.020 4.057 -0.037 1
1 773 . 20 1 1 A 82 82 GLU C C 82 178.500 178.569 -0.069 1
1 774 . 20 1 1 A 82 82 GLU CA C 82 59.000 59.086 -0.086 1
1 775 . 20 1 1 A 82 82 GLU CB C 82 28.700 29.010 -0.310 1
1 777 . 20 1 1 A 82 82 GLU N N 82 116.700 118.874 -2.174 1
1 778 . 20 1 1 A 83 83 GLU H H 83 8.070 7.780 0.290 1
1 779 . 20 1 1 A 83 83 GLU HA H 83 3.980 3.968 0.012 1
1 784 . 20 1 1 A 83 83 GLU C C 83 179.300 178.755 0.545 1
1 785 . 20 1 1 A 83 83 GLU CA C 83 60.900 59.135 1.765 1
1 786 . 20 1 1 A 83 83 GLU CB C 83 28.900 29.394 -0.494 1
1 788 . 20 1 1 A 83 83 GLU N N 83 120.300 120.003 0.297 1
1 789 . 20 1 1 A 84 84 LEU H H 84 8.480 8.278 0.202 1
1 790 . 20 1 1 A 84 84 LEU HA H 84 3.910 3.923 -0.013 1
1 800 . 20 1 1 A 84 84 LEU C C 84 178.200 179.249 -1.049 1
1 801 . 20 1 1 A 84 84 LEU CA C 84 57.000 58.060 -1.060 1
1 802 . 20 1 1 A 84 84 LEU CB C 84 40.800 41.350 -0.550 1
1 806 . 20 1 1 A 84 84 LEU N N 84 116.700 120.112 -3.412 1
1 807 . 20 1 1 A 85 85 GLN H H 85 7.130 7.562 -0.432 1
1 808 . 20 1 1 A 85 85 GLN HA H 85 4.140 4.073 0.067 1
1 815 . 20 1 1 A 85 85 GLN C C 85 176.300 177.235 -0.935 1
1 816 . 20 1 1 A 85 85 GLN CA C 85 57.900 58.540 -0.640 1
1 817 . 20 1 1 A 85 85 GLN CB C 85 28.900 28.473 0.427 1
1 819 . 20 1 1 A 85 85 GLN N N 85 115.400 116.402 -1.002 1
1 821 . 20 1 1 A 86 86 ASN H H 86 7.630 7.913 -0.283 1
1 822 . 20 1 1 A 86 86 ASN HA H 86 5.020 4.858 0.162 1
1 827 . 20 1 1 A 86 86 ASN C C 86 174.100 174.129 -0.029 1
1 828 . 20 1 1 A 86 86 ASN CA C 86 52.800 53.581 -0.781 1
1 829 . 20 1 1 A 86 86 ASN CB C 86 40.400 39.278 1.122 1
1 830 . 20 1 1 A 86 86 ASN N N 86 114.000 115.799 -1.799 1
1 832 . 20 1 1 A 87 87 ILE H H 87 7.300 7.851 -0.551 1
1 833 . 20 1 1 A 87 87 ILE HA H 87 4.320 4.720 -0.400 1
1 843 . 20 1 1 A 87 87 ILE C C 87 174.500 176.133 -1.633 1
1 844 . 20 1 1 A 87 87 ILE CA C 87 60.400 59.761 0.639 1
1 845 . 20 1 1 A 87 87 ILE CB C 87 40.600 41.283 -0.683 1
1 849 . 20 1 1 A 87 87 ILE N N 87 119.300 119.615 -0.315 1
1 850 . 20 1 1 A 88 88 HIS H H 88 9.140 8.834 0.306 1
1 851 . 20 1 1 A 88 88 HIS HA H 88 4.680 4.257 0.423 1
1 855 . 20 1 1 A 88 88 HIS CA C 88 57.300 59.785 -2.485 1
1 856 . 20 1 1 A 88 88 HIS CB C 88 30.200 30.555 -0.355 1
1 858 . 20 1 1 A 88 88 HIS N N 88 125.000 126.376 -1.376 1
1 859 . 20 1 1 A 89 89 ALA H H 89 7.600 7.914 -0.314 1
1 860 . 20 1 1 A 89 89 ALA HA H 89 4.620 4.560 0.060 1
1 864 . 20 1 1 A 89 89 ALA C C 89 174.300 175.847 -1.547 1
1 865 . 20 1 1 A 89 89 ALA CA C 89 52.300 51.365 0.935 1
1 866 . 20 1 1 A 89 89 ALA CB C 89 21.300 20.280 1.020 1
1 867 . 20 1 1 A 89 89 ALA N N 89 120.100 118.998 1.102 1
1 868 . 20 1 1 A 90 90 PHE H H 90 8.830 9.265 -0.435 1
1 869 . 20 1 1 A 90 90 PHE HA H 90 5.220 5.025 0.195 1
1 877 . 20 1 1 A 90 90 PHE C C 90 173.700 174.510 -0.810 1
1 878 . 20 1 1 A 90 90 PHE CA C 90 57.200 57.950 -0.750 1
1 879 . 20 1 1 A 90 90 PHE CB C 90 42.000 41.025 0.975 1
1 885 . 20 1 1 A 90 90 PHE N N 90 126.100 127.255 -1.155 1
1 886 . 20 1 1 A 91 91 SER H H 91 8.320 8.906 -0.586 1
1 887 . 20 1 1 A 91 91 SER HA H 91 4.730 5.331 -0.601 1
1 891 . 20 1 1 A 91 91 SER C C 91 172.600 172.139 0.461 1
1 892 . 20 1 1 A 91 91 SER CA C 91 56.500 56.004 0.496 1
1 893 . 20 1 1 A 91 91 SER CB C 91 64.100 66.338 -2.238 1
1 894 . 20 1 1 A 91 91 SER N N 91 123.100 122.676 0.424 1
1 895 . 20 1 1 A 92 92 MET H H 92 8.660 8.954 -0.294 1
1 896 . 20 1 1 A 92 92 MET HA H 92 5.490 5.190 0.300 1
1 901 . 20 1 1 A 92 92 MET C C 92 174.300 174.199 0.101 1
1 902 . 20 1 1 A 92 92 MET CA C 92 53.600 53.497 0.103 1
1 903 . 20 1 1 A 92 92 MET CB C 92 37.500 35.428 2.072 1
1 906 . 20 1 1 A 92 92 MET N N 92 119.600 120.557 -0.957 1
1 907 . 20 1 1 A 93 93 LYS H H 93 8.190 9.070 -0.880 1
1 908 . 20 1 1 A 93 93 LYS HA H 93 4.450 4.741 -0.291 1
1 917 . 20 1 1 A 93 93 LYS C C 93 174.400 175.121 -0.721 1
1 918 . 20 1 1 A 93 93 LYS CA C 93 55.400 54.728 0.672 1
1 919 . 20 1 1 A 93 93 LYS CB C 93 34.700 33.934 0.766 1
1 923 . 20 1 1 A 93 93 LYS N N 93 122.700 121.636 1.064 1
1 924 . 20 1 1 A 94 94 CYS H H 94 8.340 8.597 -0.257 1
1 925 . 20 1 1 A 94 94 CYS HA H 94 4.960 4.762 0.198 1
1 928 . 20 1 1 A 94 94 CYS C C 94 173.600 174.351 -0.751 1
1 929 . 20 1 1 A 94 94 CYS CA C 94 56.600 57.227 -0.627 1
1 930 . 20 1 1 A 94 94 CYS CB C 94 29.800 27.901 1.899 1
1 931 . 20 1 1 A 94 94 CYS N N 94 120.300 124.366 -4.066 1
1 932 . 20 1 1 A 95 95 HIS H H 95 9.040 8.799 0.241 1
1 933 . 20 1 1 A 95 95 HIS HA H 95 5.440 4.959 0.481 1
1 936 . 20 1 1 A 95 95 HIS C C 95 175.700 174.763 0.937 1
1 937 . 20 1 1 A 95 95 HIS CA C 95 53.600 54.708 -1.108 1
1 938 . 20 1 1 A 95 95 HIS CB C 95 35.300 34.217 1.083 1
1 939 . 20 1 1 A 95 95 HIS N N 95 122.000 121.618 0.382 1
1 940 . 20 1 1 A 96 96 THR H H 96 8.910 8.264 0.646 1
1 941 . 20 1 1 A 96 96 THR HA H 96 5.150 5.092 0.058 1
1 945 . 20 1 1 A 96 96 THR CA C 96 60.100 59.378 0.722 1
1 946 . 20 1 1 A 96 96 THR CB C 96 67.600 69.677 -2.077 1
1 948 . 20 1 1 A 96 96 THR N N 96 113.600 113.529 0.071 1
1 949 . 20 1 1 A 97 97 PRO HA H 97 4.060 4.320 -0.260 1
1 956 . 20 1 1 A 97 97 PRO C C 97 178.600 178.745 -0.145 1
1 957 . 20 1 1 A 97 97 PRO CA C 97 66.600 65.976 0.624 1
1 958 . 20 1 1 A 97 97 PRO CB C 97 31.600 31.706 -0.106 1
1 961 . 20 1 1 A 98 98 LEU H H 98 8.410 7.583 0.827 1
1 962 . 20 1 1 A 98 98 LEU HA H 98 4.230 4.048 0.182 1
1 971 . 20 1 1 A 98 98 LEU C C 98 179.800 179.178 0.622 1
1 972 . 20 1 1 A 98 98 LEU CA C 98 58.200 57.427 0.773 1
1 973 . 20 1 1 A 98 98 LEU CB C 98 42.000 41.133 0.867 1
1 976 . 20 1 1 A 98 98 LEU N N 98 118.300 116.391 1.909 1
1 977 . 20 1 1 A 99 99 GLU H H 99 7.660 7.868 -0.208 1
1 978 . 20 1 1 A 99 99 GLU HA H 99 3.900 3.977 -0.077 1
1 983 . 20 1 1 A 99 99 GLU C C 99 180.200 178.657 1.543 1
1 984 . 20 1 1 A 99 99 GLU CA C 99 58.400 59.545 -1.145 1
1 985 . 20 1 1 A 99 99 GLU CB C 99 30.400 29.450 0.950 1
1 987 . 20 1 1 A 99 99 GLU N N 99 118.100 120.614 -2.514 1
1 988 . 20 1 1 A 100 100 TYR H H 100 8.770 8.475 0.295 1
1 989 . 20 1 1 A 100 100 TYR HA H 100 3.860 4.177 -0.317 1
1 996 . 20 1 1 A 100 100 TYR C C 100 176.800 177.484 -0.684 1
1 997 . 20 1 1 A 100 100 TYR CA C 100 60.800 61.375 -0.575 1
1 998 . 20 1 1 A 100 100 TYR CB C 100 39.200 38.672 0.528 1
1 1003 . 20 1 1 A 100 100 TYR N N 100 120.100 121.000 -0.900 1
1 1004 . 20 1 1 A 101 101 ASP H H 101 8.100 8.360 -0.260 1
1 1005 . 20 1 1 A 101 101 ASP HA H 101 4.180 4.234 -0.054 1
1 1008 . 20 1 1 A 101 101 ASP C C 101 178.700 178.163 0.537 1
1 1009 . 20 1 1 A 101 101 ASP CA C 101 57.300 57.433 -0.133 1
1 1010 . 20 1 1 A 101 101 ASP CB C 101 40.800 41.566 -0.766 1
1 1011 . 20 1 1 A 101 101 ASP N N 101 118.400 118.877 -0.477 1
1 1012 . 20 1 1 A 102 102 LYS H H 102 7.480 7.666 -0.186 1
1 1013 . 20 1 1 A 102 102 LYS HA H 102 4.070 4.106 -0.036 1
1 1020 . 20 1 1 A 102 102 LYS CA C 102 58.300 58.449 -0.149 1
1 1021 . 20 1 1 A 102 102 LYS CB C 102 32.300 32.049 0.251 1
1 1024 . 20 1 1 A 102 102 LYS N N 102 117.500 118.712 -1.212 1
1 1025 . 20 1 1 A 103 103 LEU H H 103 7.580 7.813 -0.233 1
1 1026 . 20 1 1 A 103 103 LEU HA H 103 4.050 4.100 -0.050 1
1 1036 . 20 1 1 A 103 103 LEU C C 103 178.700 178.785 -0.085 1
1 1037 . 20 1 1 A 103 103 LEU CA C 103 56.800 57.297 -0.497 1
1 1038 . 20 1 1 A 103 103 LEU CB C 103 42.000 41.462 0.538 1
1 1042 . 20 1 1 A 103 103 LEU N N 103 120.100 119.104 0.996 1
1 1043 . 20 1 1 A 104 104 LYS H H 104 7.730 7.845 -0.115 1
1 1044 . 20 1 1 A 104 104 LYS HA H 104 3.960 3.851 0.109 1
1 1053 . 20 1 1 A 104 104 LYS CA C 104 56.700 58.452 -1.752 1
1 1054 . 20 1 1 A 104 104 LYS CB C 104 31.700 31.549 0.151 1
1 1058 . 20 1 1 A 104 104 LYS N N 104 118.500 118.162 0.338 1
1 1059 . 20 1 1 A 105 105 SER H H 105 7.790 7.886 -0.096 1
1 1060 . 20 1 1 A 105 105 SER HA H 105 4.330 4.068 0.262 1
1 1063 . 20 1 1 A 105 105 SER C C 105 174.700 176.233 -1.533 1
1 1064 . 20 1 1 A 105 105 SER CA C 105 58.900 62.075 -3.175 1
1 1065 . 20 1 1 A 105 105 SER CB C 105 63.500 62.971 0.529 1
1 1066 . 20 1 1 A 105 105 SER N N 105 114.900 117.837 -2.937 1
1 1067 . 20 1 1 A 106 106 LYS H H 106 8.000 7.770 0.230 1
1 1068 . 20 1 1 A 106 106 LYS HA H 106 4.300 4.302 -0.002 1
1 1077 . 20 1 1 A 106 106 LYS C C 106 177.000 177.438 -0.438 1
1 1078 . 20 1 1 A 106 106 LYS CA C 106 56.600 56.440 0.160 1
1 1079 . 20 1 1 A 106 106 LYS CB C 106 32.800 33.861 -1.061 1
1 1081 . 20 1 1 A 106 106 LYS N N 106 122.400 116.006 6.394 1
1 1082 . 20 1 1 A 107 107 GLY H H 107 8.310 8.916 -0.606 1
1 1083 . 20 1 1 A 107 107 GLY HA2 H 107 3.990 3.953 0.037 1
1 1084 . 20 1 1 A 107 107 GLY HA3 H 107 3.990 3.974 0.016 1
1 1085 . 20 1 1 A 107 107 GLY CA C 107 45.300 45.630 -0.330 1
1 1086 . 20 1 1 A 107 107 GLY N N 107 110.000 109.781 0.219 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 78 1.033 1
2 1 1 1 "RMS(OBS, PRED)" CA 90 1.139 1
3 1 1 1 "RMS(OBS, PRED)" CB 88 1.541 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.504 1
5 1 1 1 "RMS(OBS, PRED)" HA 90 0.222 1
6 1 1 1 "RMS(OBS, PRED)" N 86 2.642 1
7 1 2 1 "RMS(OBS, PRED)" C 78 1.062 1
8 1 2 1 "RMS(OBS, PRED)" CA 90 1.195 1
9 1 2 1 "RMS(OBS, PRED)" CB 88 1.422 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.544 1
11 1 2 1 "RMS(OBS, PRED)" HA 90 0.245 1
12 1 2 1 "RMS(OBS, PRED)" N 86 2.639 1
13 1 3 1 "RMS(OBS, PRED)" C 78 1.039 1
14 1 3 1 "RMS(OBS, PRED)" CA 90 1.237 1
15 1 3 1 "RMS(OBS, PRED)" CB 88 1.582 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.518 1
17 1 3 1 "RMS(OBS, PRED)" HA 90 0.232 1
18 1 3 1 "RMS(OBS, PRED)" N 86 2.810 1
19 1 4 1 "RMS(OBS, PRED)" C 78 1.064 1
20 1 4 1 "RMS(OBS, PRED)" CA 90 1.201 1
21 1 4 1 "RMS(OBS, PRED)" CB 88 1.570 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.503 1
23 1 4 1 "RMS(OBS, PRED)" HA 90 0.213 1
24 1 4 1 "RMS(OBS, PRED)" N 86 2.618 1
25 1 5 1 "RMS(OBS, PRED)" C 78 1.085 1
26 1 5 1 "RMS(OBS, PRED)" CA 90 1.187 1
27 1 5 1 "RMS(OBS, PRED)" CB 88 1.422 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.529 1
29 1 5 1 "RMS(OBS, PRED)" HA 90 0.256 1
30 1 5 1 "RMS(OBS, PRED)" N 86 2.779 1
31 1 6 1 "RMS(OBS, PRED)" C 78 1.006 1
32 1 6 1 "RMS(OBS, PRED)" CA 90 1.209 1
33 1 6 1 "RMS(OBS, PRED)" CB 88 1.537 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.534 1
35 1 6 1 "RMS(OBS, PRED)" HA 90 0.228 1
36 1 6 1 "RMS(OBS, PRED)" N 86 2.801 1
37 1 7 1 "RMS(OBS, PRED)" C 78 1.109 1
38 1 7 1 "RMS(OBS, PRED)" CA 90 1.269 1
39 1 7 1 "RMS(OBS, PRED)" CB 88 1.398 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.507 1
41 1 7 1 "RMS(OBS, PRED)" HA 90 0.235 1
42 1 7 1 "RMS(OBS, PRED)" N 86 2.793 1
43 1 8 1 "RMS(OBS, PRED)" C 78 1.045 1
44 1 8 1 "RMS(OBS, PRED)" CA 90 1.237 1
45 1 8 1 "RMS(OBS, PRED)" CB 88 1.568 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.521 1
47 1 8 1 "RMS(OBS, PRED)" HA 90 0.235 1
48 1 8 1 "RMS(OBS, PRED)" N 86 2.754 1
49 1 9 1 "RMS(OBS, PRED)" C 78 1.035 1
50 1 9 1 "RMS(OBS, PRED)" CA 90 1.282 1
51 1 9 1 "RMS(OBS, PRED)" CB 88 1.463 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.537 1
53 1 9 1 "RMS(OBS, PRED)" HA 90 0.230 1
54 1 9 1 "RMS(OBS, PRED)" N 86 2.637 1
55 1 10 1 "RMS(OBS, PRED)" C 78 1.064 1
56 1 10 1 "RMS(OBS, PRED)" CA 90 1.223 1
57 1 10 1 "RMS(OBS, PRED)" CB 88 1.470 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.550 1
59 1 10 1 "RMS(OBS, PRED)" HA 90 0.240 1
60 1 10 1 "RMS(OBS, PRED)" N 86 2.493 1
61 1 11 1 "RMS(OBS, PRED)" C 78 1.055 1
62 1 11 1 "RMS(OBS, PRED)" CA 90 1.232 1
63 1 11 1 "RMS(OBS, PRED)" CB 88 1.331 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.535 1
65 1 11 1 "RMS(OBS, PRED)" HA 90 0.236 1
66 1 11 1 "RMS(OBS, PRED)" N 86 2.682 1
67 1 12 1 "RMS(OBS, PRED)" C 78 0.976 1
68 1 12 1 "RMS(OBS, PRED)" CA 90 1.106 1
69 1 12 1 "RMS(OBS, PRED)" CB 88 1.533 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.549 1
71 1 12 1 "RMS(OBS, PRED)" HA 90 0.274 1
72 1 12 1 "RMS(OBS, PRED)" N 86 2.814 1
73 1 13 1 "RMS(OBS, PRED)" C 78 0.988 1
74 1 13 1 "RMS(OBS, PRED)" CA 90 1.173 1
75 1 13 1 "RMS(OBS, PRED)" CB 88 1.514 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.502 1
77 1 13 1 "RMS(OBS, PRED)" HA 90 0.245 1
78 1 13 1 "RMS(OBS, PRED)" N 86 2.802 1
79 1 14 1 "RMS(OBS, PRED)" C 78 1.038 1
80 1 14 1 "RMS(OBS, PRED)" CA 90 1.190 1
81 1 14 1 "RMS(OBS, PRED)" CB 88 1.422 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.541 1
83 1 14 1 "RMS(OBS, PRED)" HA 90 0.276 1
84 1 14 1 "RMS(OBS, PRED)" N 86 2.765 1
85 1 15 1 "RMS(OBS, PRED)" C 78 1.088 1
86 1 15 1 "RMS(OBS, PRED)" CA 90 1.231 1
87 1 15 1 "RMS(OBS, PRED)" CB 88 1.591 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.519 1
89 1 15 1 "RMS(OBS, PRED)" HA 90 0.248 1
90 1 15 1 "RMS(OBS, PRED)" N 86 2.704 1
91 1 16 1 "RMS(OBS, PRED)" C 78 1.091 1
92 1 16 1 "RMS(OBS, PRED)" CA 90 1.179 1
93 1 16 1 "RMS(OBS, PRED)" CB 88 1.459 1
94 1 16 1 "RMS(OBS, PRED)" H 86 0.504 1
95 1 16 1 "RMS(OBS, PRED)" HA 90 0.239 1
96 1 16 1 "RMS(OBS, PRED)" N 86 2.560 1
97 1 17 1 "RMS(OBS, PRED)" C 78 1.027 1
98 1 17 1 "RMS(OBS, PRED)" CA 90 1.091 1
99 1 17 1 "RMS(OBS, PRED)" CB 88 1.634 1
100 1 17 1 "RMS(OBS, PRED)" H 86 0.535 1
101 1 17 1 "RMS(OBS, PRED)" HA 90 0.220 1
102 1 17 1 "RMS(OBS, PRED)" N 86 2.562 1
103 1 18 1 "RMS(OBS, PRED)" C 78 1.081 1
104 1 18 1 "RMS(OBS, PRED)" CA 90 1.164 1
105 1 18 1 "RMS(OBS, PRED)" CB 88 1.602 1
106 1 18 1 "RMS(OBS, PRED)" H 86 0.508 1
107 1 18 1 "RMS(OBS, PRED)" HA 90 0.250 1
108 1 18 1 "RMS(OBS, PRED)" N 86 2.789 1
109 1 19 1 "RMS(OBS, PRED)" C 78 1.071 1
110 1 19 1 "RMS(OBS, PRED)" CA 90 1.239 1
111 1 19 1 "RMS(OBS, PRED)" CB 88 1.509 1
112 1 19 1 "RMS(OBS, PRED)" H 86 0.553 1
113 1 19 1 "RMS(OBS, PRED)" HA 90 0.278 1
114 1 19 1 "RMS(OBS, PRED)" N 86 2.612 1
115 1 20 1 "RMS(OBS, PRED)" C 78 0.982 1
116 1 20 1 "RMS(OBS, PRED)" CA 90 1.209 1
117 1 20 1 "RMS(OBS, PRED)" CB 88 1.483 1
118 1 20 1 "RMS(OBS, PRED)" H 86 0.514 1
119 1 20 1 "RMS(OBS, PRED)" HA 90 0.237 1
120 1 20 1 "RMS(OBS, PRED)" N 86 2.740 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 11 11 SER HA H 11 4.510 4.439 0.071 2
1 4 . 1 1 A 11 11 SER C C 11 174.600 174.114 0.486 2
1 5 . 1 1 A 11 11 SER CA C 11 58.400 59.036 -0.636 2
1 6 . 1 1 A 11 11 SER CB C 11 63.800 63.621 0.179 2
1 7 . 1 1 A 12 12 SER H H 12 8.630 8.445 0.185 2
1 8 . 1 1 A 12 12 SER HA H 12 4.500 4.722 -0.222 2
1 11 . 1 1 A 12 12 SER C C 12 175.000 174.643 0.357 2
1 12 . 1 1 A 12 12 SER CA C 12 58.600 58.064 0.536 2
1 13 . 1 1 A 12 12 SER CB C 12 63.900 63.355 0.545 2
1 14 . 1 1 A 12 12 SER N N 12 118.300 118.399 -0.099 2
1 15 . 1 1 A 13 13 GLY H H 13 8.560 8.488 0.072 2
1 16 . 1 1 A 13 13 GLY HA2 H 13 4.050 4.045 0.005 2
1 17 . 1 1 A 13 13 GLY HA3 H 13 4.050 4.068 -0.018 2
1 18 . 1 1 A 13 13 GLY C C 13 174.300 174.974 -0.674 2
1 19 . 1 1 A 13 13 GLY CA C 13 45.400 45.777 -0.377 2
1 20 . 1 1 A 13 13 GLY N N 13 111.000 112.080 -1.080 2
1 21 . 1 1 A 14 14 ARG H H 14 8.260 8.107 0.153 2
1 22 . 1 1 A 14 14 ARG HA H 14 4.320 4.403 -0.083 2
1 29 . 1 1 A 14 14 ARG C C 14 176.400 177.315 -0.915 2
1 30 . 1 1 A 14 14 ARG CA C 14 56.300 57.608 -1.308 2
1 31 . 1 1 A 14 14 ARG CB C 14 30.600 31.404 -0.804 2
1 34 . 1 1 A 14 14 ARG N N 14 120.400 118.739 1.661 2
1 35 . 1 1 A 15 15 GLU H H 15 8.660 8.215 0.445 2
1 36 . 1 1 A 15 15 GLU HA H 15 4.210 4.477 -0.267 2
1 41 . 1 1 A 15 15 GLU C C 15 176.200 177.351 -1.151 2
1 42 . 1 1 A 15 15 GLU CA C 15 57.200 56.526 0.674 2
1 43 . 1 1 A 15 15 GLU CB C 15 29.700 29.486 0.214 2
1 45 . 1 1 A 15 15 GLU N N 15 121.100 117.551 3.549 2
1 46 . 1 1 A 16 16 ASN H H 16 8.420 8.529 -0.109 2
1 47 . 1 1 A 16 16 ASN HA H 16 4.680 4.583 0.097 2
1 52 . 1 1 A 16 16 ASN C C 16 175.100 176.108 -1.008 2
1 53 . 1 1 A 16 16 ASN CA C 16 53.300 54.325 -1.025 2
1 54 . 1 1 A 16 16 ASN CB C 16 38.700 37.112 1.588 2
1 55 . 1 1 A 16 16 ASN N N 16 118.900 119.049 -0.149 2
1 57 . 1 1 A 17 17 LEU H H 17 8.110 7.687 0.423 2
1 58 . 1 1 A 17 17 LEU HA H 17 4.210 4.214 -0.004 2
1 68 . 1 1 A 17 17 LEU C C 17 177.000 176.399 0.601 2
1 69 . 1 1 A 17 17 LEU CA C 17 55.600 55.757 -0.157 2
1 70 . 1 1 A 17 17 LEU CB C 17 42.200 42.128 0.072 2
1 74 . 1 1 A 17 17 LEU N N 17 121.900 117.881 4.019 2
1 75 . 1 1 A 18 18 TYR H H 18 8.070 7.728 0.342 2
1 76 . 1 1 A 18 18 TYR HA H 18 4.530 4.853 -0.323 2
1 83 . 1 1 A 18 18 TYR C C 18 175.700 176.090 -0.390 2
1 84 . 1 1 A 18 18 TYR CA C 18 58.000 56.931 1.069 2
1 85 . 1 1 A 18 18 TYR CB C 18 38.700 39.469 -0.769 2
1 90 . 1 1 A 18 18 TYR N N 18 119.500 118.500 1.000 2
1 91 . 1 1 A 19 19 PHE H H 19 8.120 8.510 -0.390 2
1 92 . 1 1 A 19 19 PHE HA H 19 4.560 4.657 -0.097 2
1 99 . 1 1 A 19 19 PHE C C 19 175.500 176.007 -0.507 2
1 100 . 1 1 A 19 19 PHE CA C 19 57.900 58.233 -0.333 2
1 101 . 1 1 A 19 19 PHE CB C 19 39.500 39.014 0.486 2
1 106 . 1 1 A 19 19 PHE N N 19 121.200 121.262 -0.062 2
1 107 . 1 1 A 20 20 GLN H H 20 8.300 7.821 0.479 2
1 108 . 1 1 A 20 20 GLN HA H 20 4.200 4.093 0.107 2
1 115 . 1 1 A 20 20 GLN C C 20 176.000 176.143 -0.143 2
1 116 . 1 1 A 20 20 GLN CA C 20 56.100 56.651 -0.551 2
1 117 . 1 1 A 20 20 GLN CB C 20 29.100 27.720 1.380 2
1 119 . 1 1 A 20 20 GLN N N 20 121.700 117.339 4.361 2
1 121 . 1 1 A 21 21 GLY H H 21 7.970 8.060 -0.090 2
1 122 . 1 1 A 21 21 GLY HA2 H 21 3.940 3.839 0.101 2
1 123 . 1 1 A 21 21 GLY HA3 H 21 3.830 3.962 -0.132 2
1 124 . 1 1 A 21 21 GLY CA C 21 45.400 46.154 -0.754 2
1 125 . 1 1 A 21 21 GLY N N 21 108.500 107.972 0.528 2
1 126 . 1 1 A 22 22 HIS H H 22 8.280 7.966 0.314 2
1 127 . 1 1 A 22 22 HIS C C 22 174.000 174.648 -0.648 2
1 128 . 1 1 A 22 22 HIS CA C 22 56.000 55.884 0.116 2
1 129 . 1 1 A 22 22 HIS CB C 22 29.900 30.936 -1.036 2
1 130 . 1 1 A 22 22 HIS N N 22 118.700 118.861 -0.161 2
1 134 . 1 1 A 23 23 MET C C 23 175.900 175.538 0.362 2
1 135 . 1 1 A 23 23 MET CB C 23 32.700 33.326 -0.626 2
1 137 . 1 1 A 24 24 CYS H H 24 8.390 8.370 0.020 2
1 138 . 1 1 A 24 24 CYS HA H 24 4.620 4.632 -0.012 2
1 141 . 1 1 A 24 24 CYS C C 24 175.400 175.279 0.121 2
1 142 . 1 1 A 24 24 CYS CA C 24 58.000 58.554 -0.554 2
1 143 . 1 1 A 24 24 CYS CB C 24 27.900 29.147 -1.247 2
1 144 . 1 1 A 24 24 CYS N N 24 120.600 120.937 -0.337 2
1 145 . 1 1 A 25 25 ILE H H 25 8.550 8.614 -0.064 2
1 146 . 1 1 A 25 25 ILE HA H 25 4.010 3.895 0.115 2
1 156 . 1 1 A 25 25 ILE C C 25 176.200 176.924 -0.724 2
1 157 . 1 1 A 25 25 ILE CA C 25 63.400 64.187 -0.787 2
1 158 . 1 1 A 25 25 ILE CB C 25 38.100 37.763 0.337 2
1 162 . 1 1 A 25 25 ILE N N 25 124.600 127.406 -2.806 2
1 163 . 1 1 A 26 26 GLN H H 26 8.860 8.029 0.831 2
1 164 . 1 1 A 26 26 GLN HA H 26 3.340 3.707 -0.367 2
1 171 . 1 1 A 26 26 GLN C C 26 176.800 178.291 -1.490 2
1 172 . 1 1 A 26 26 GLN CA C 26 60.200 59.060 1.140 2
1 173 . 1 1 A 26 26 GLN CB C 26 27.800 28.104 -0.304 2
1 175 . 1 1 A 26 26 GLN N N 26 121.900 121.075 0.825 2
1 177 . 1 1 A 27 27 LYS H H 27 7.340 7.617 -0.277 2
1 178 . 1 1 A 27 27 LYS HA H 27 4.070 4.111 -0.041 2
1 181 . 1 1 A 27 27 LYS C C 27 177.900 178.786 -0.886 2
1 182 . 1 1 A 27 27 LYS CA C 27 58.300 58.750 -0.450 2
1 183 . 1 1 A 27 27 LYS CB C 27 31.800 32.109 -0.309 2
1 187 . 1 1 A 27 27 LYS N N 27 117.700 119.522 -1.822 2
1 188 . 1 1 A 28 28 VAL H H 28 7.570 7.757 -0.187 2
1 189 . 1 1 A 28 28 VAL HA H 28 3.680 3.622 0.058 2
1 197 . 1 1 A 28 28 VAL C C 28 178.600 178.182 0.418 2
1 198 . 1 1 A 28 28 VAL CA C 28 66.400 66.292 0.108 2
1 199 . 1 1 A 28 28 VAL CB C 28 31.800 31.580 0.220 2
1 202 . 1 1 A 28 28 VAL N N 28 119.900 119.421 0.479 2
1 203 . 1 1 A 29 29 ILE H H 29 8.180 8.054 0.126 2
1 204 . 1 1 A 29 29 ILE HA H 29 3.290 3.564 -0.274 2
1 212 . 1 1 A 29 29 ILE C C 29 177.500 177.920 -0.420 2
1 213 . 1 1 A 29 29 ILE CA C 29 65.900 65.585 0.315 2
1 214 . 1 1 A 29 29 ILE CB C 29 37.600 37.609 -0.009 2
1 218 . 1 1 A 29 29 ILE N N 29 118.500 119.922 -1.422 2
1 219 . 1 1 A 30 30 GLU H H 30 8.370 8.417 -0.047 2
1 220 . 1 1 A 30 30 GLU HA H 30 3.610 3.839 -0.229 2
1 225 . 1 1 A 30 30 GLU C C 30 179.000 178.585 0.414 2
1 226 . 1 1 A 30 30 GLU CA C 30 60.400 59.819 0.581 2
1 227 . 1 1 A 30 30 GLU CB C 30 29.600 29.113 0.487 2
1 229 . 1 1 A 30 30 GLU N N 30 119.200 120.134 -0.934 2
1 230 . 1 1 A 31 31 ASP H H 31 8.710 8.274 0.436 2
1 231 . 1 1 A 31 31 ASP HA H 31 4.370 4.296 0.074 2
1 234 . 1 1 A 31 31 ASP CA C 31 57.600 57.014 0.586 2
1 235 . 1 1 A 31 31 ASP CB C 31 40.200 40.901 -0.701 2
1 236 . 1 1 A 31 31 ASP N N 31 125.100 120.231 4.869 2
1 237 . 1 1 A 32 32 LYS H H 32 8.430 7.690 0.740 2
1 238 . 1 1 A 32 32 LYS HA H 32 4.030 4.029 0.001 2
1 243 . 1 1 A 32 32 LYS C C 32 180.300 179.504 0.796 2
1 244 . 1 1 A 32 32 LYS CA C 32 60.400 59.439 0.961 2
1 245 . 1 1 A 32 32 LYS CB C 32 33.100 32.130 0.970 2
1 248 . 1 1 A 32 32 LYS N N 32 120.700 119.701 0.999 2
1 249 . 1 1 A 33 33 LEU H H 33 8.580 7.697 0.883 2
1 250 . 1 1 A 33 33 LEU HA H 33 4.000 4.013 -0.013 2
1 260 . 1 1 A 33 33 LEU C C 33 179.200 178.909 0.291 2
1 261 . 1 1 A 33 33 LEU CA C 33 58.000 57.774 0.226 2
1 262 . 1 1 A 33 33 LEU CB C 33 42.500 41.126 1.374 2
1 266 . 1 1 A 33 33 LEU N N 33 117.200 118.788 -1.588 2
1 267 . 1 1 A 34 34 SER H H 34 8.670 7.994 0.676 2
1 268 . 1 1 A 34 34 SER HA H 34 4.100 4.173 -0.073 2
1 271 . 1 1 A 34 34 SER C C 34 176.900 177.126 -0.226 2
1 272 . 1 1 A 34 34 SER CA C 34 62.500 61.548 0.952 2
1 273 . 1 1 A 34 34 SER CB C 34 62.500 62.810 -0.310 2
1 274 . 1 1 A 34 34 SER N N 34 115.500 116.006 -0.506 2
1 275 . 1 1 A 35 35 SER H H 35 8.080 8.013 0.067 2
1 276 . 1 1 A 35 35 SER HA H 35 4.200 4.153 0.047 2
1 279 . 1 1 A 35 35 SER C C 35 175.900 175.990 -0.090 2
1 280 . 1 1 A 35 35 SER CA C 35 60.900 61.414 -0.514 2
1 281 . 1 1 A 35 35 SER CB C 35 62.900 63.087 -0.187 2
1 282 . 1 1 A 35 35 SER N N 35 115.300 116.899 -1.599 2
1 283 . 1 1 A 36 36 ALA H H 36 7.570 7.669 -0.099 2
1 284 . 1 1 A 36 36 ALA HA H 36 4.340 4.238 0.102 2
1 288 . 1 1 A 36 36 ALA C C 36 179.200 179.766 -0.566 2
1 289 . 1 1 A 36 36 ALA CA C 36 54.300 54.440 -0.140 2
1 290 . 1 1 A 36 36 ALA CB C 36 20.900 19.104 1.796 2
1 291 . 1 1 A 36 36 ALA N N 36 119.000 123.246 -4.246 2
1 292 . 1 1 A 37 37 LEU H H 37 7.960 8.047 -0.087 2
1 293 . 1 1 A 37 37 LEU HA H 37 4.530 4.262 0.268 2
1 303 . 1 1 A 37 37 LEU CA C 37 53.500 55.647 -2.147 2
1 304 . 1 1 A 37 37 LEU CB C 37 42.600 42.543 0.057 2
1 308 . 1 1 A 37 37 LEU N N 37 111.800 116.189 -4.389 2
1 309 . 1 1 A 38 38 LYS H H 38 7.600 7.850 -0.250 2
1 310 . 1 1 A 38 38 LYS HA H 38 4.250 4.271 -0.021 2
1 313 . 1 1 A 38 38 LYS CA C 38 56.200 56.893 -0.693 2
1 314 . 1 1 A 38 38 LYS CB C 38 30.800 30.928 -0.128 2
1 315 . 1 1 A 38 38 LYS N N 38 117.200 117.214 -0.014 2
1 316 . 1 1 A 39 39 PRO HA H 39 4.670 4.632 0.038 2
1 323 . 1 1 A 39 39 PRO C C 39 178.100 177.289 0.811 2
1 324 . 1 1 A 39 39 PRO CA C 39 63.300 62.144 1.156 2
1 325 . 1 1 A 39 39 PRO CB C 39 32.700 32.442 0.258 2
1 328 . 1 1 A 40 40 THR H H 40 8.500 8.504 -0.004 2
1 329 . 1 1 A 40 40 THR HA H 40 4.290 4.224 0.066 2
1 334 . 1 1 A 40 40 THR C C 40 175.700 174.577 1.123 2
1 335 . 1 1 A 40 40 THR CA C 40 63.200 63.744 -0.544 2
1 336 . 1 1 A 40 40 THR CB C 40 67.600 69.213 -1.613 2
1 338 . 1 1 A 40 40 THR N N 40 114.500 112.916 1.584 2
1 339 . 1 1 A 41 41 PHE H H 41 7.300 7.508 -0.208 2
1 340 . 1 1 A 41 41 PHE HA H 41 4.510 4.682 -0.172 2
1 347 . 1 1 A 41 41 PHE C C 41 171.500 172.970 -1.470 2
1 348 . 1 1 A 41 41 PHE CA C 41 58.800 56.796 2.004 2
1 349 . 1 1 A 41 41 PHE CB C 41 41.000 42.186 -1.186 2
1 354 . 1 1 A 41 41 PHE N N 41 121.100 121.131 -0.031 2
1 355 . 1 1 A 42 42 LEU H H 42 7.530 8.311 -0.781 2
1 356 . 1 1 A 42 42 LEU HA H 42 4.910 4.963 -0.053 2
1 366 . 1 1 A 42 42 LEU C C 42 173.700 173.703 -0.003 2
1 367 . 1 1 A 42 42 LEU CA C 42 53.500 53.909 -0.409 2
1 368 . 1 1 A 42 42 LEU CB C 42 45.300 45.650 -0.350 2
1 372 . 1 1 A 42 42 LEU N N 42 129.100 128.506 0.593 2
1 373 . 1 1 A 43 43 GLU H H 43 8.690 8.827 -0.137 2
1 374 . 1 1 A 43 43 GLU HA H 43 4.400 4.869 -0.469 2
1 379 . 1 1 A 43 43 GLU C C 43 173.500 174.725 -1.225 2
1 380 . 1 1 A 43 43 GLU CA C 43 55.800 54.616 1.184 2
1 381 . 1 1 A 43 43 GLU CB C 43 34.100 32.874 1.226 2
1 383 . 1 1 A 43 43 GLU N N 43 126.900 127.507 -0.607 2
1 384 . 1 1 A 44 44 LEU H H 44 9.000 8.933 0.067 2
1 385 . 1 1 A 44 44 LEU HA H 44 5.130 4.990 0.140 2
1 395 . 1 1 A 44 44 LEU C C 44 175.100 175.906 -0.806 2
1 396 . 1 1 A 44 44 LEU CA C 44 53.700 53.531 0.169 2
1 397 . 1 1 A 44 44 LEU CB C 44 44.600 42.452 2.148 2
1 401 . 1 1 A 44 44 LEU N N 44 129.900 128.203 1.697 2
1 402 . 1 1 A 45 45 VAL H H 45 9.000 9.373 -0.373 2
1 403 . 1 1 A 45 45 VAL HA H 45 4.370 4.573 -0.203 2
1 411 . 1 1 A 45 45 VAL C C 45 175.100 174.952 0.148 2
1 412 . 1 1 A 45 45 VAL CA C 45 61.200 60.898 0.302 2
1 413 . 1 1 A 45 45 VAL CB C 45 35.400 33.994 1.406 2
1 416 . 1 1 A 45 45 VAL N N 45 122.300 124.741 -2.441 2
1 417 . 1 1 A 46 46 ASP H H 46 9.080 8.786 0.295 2
1 418 . 1 1 A 46 46 ASP HA H 46 4.530 4.774 -0.244 2
1 421 . 1 1 A 46 46 ASP C C 46 176.900 175.858 1.042 2
1 422 . 1 1 A 46 46 ASP CA C 46 53.900 54.103 -0.203 2
1 423 . 1 1 A 46 46 ASP CB C 46 40.600 41.255 -0.655 2
1 424 . 1 1 A 46 46 ASP N N 46 127.400 127.155 0.245 2
1 425 . 1 1 A 47 47 LYS H H 47 8.490 8.671 -0.181 2
1 426 . 1 1 A 47 47 LYS HA H 47 4.560 4.502 0.058 2
1 427 . 1 1 A 47 47 LYS CA C 47 54.200 55.779 -1.579 2
1 428 . 1 1 A 47 47 LYS CB C 47 30.400 32.919 -2.519 2
1 429 . 1 1 A 47 47 LYS N N 47 129.500 127.582 1.918 2
1 430 . 1 1 A 54 54 SER HA H 54 5.550 5.298 0.252 2
1 433 . 1 1 A 54 54 SER C C 54 172.900 172.878 0.022 2
1 434 . 1 1 A 54 54 SER CA C 54 57.300 56.898 0.402 2
1 435 . 1 1 A 54 54 SER CB C 54 65.800 65.760 0.040 2
1 436 . 1 1 A 55 55 PHE H H 55 8.340 8.937 -0.597 2
1 437 . 1 1 A 55 55 PHE HA H 55 5.700 5.139 0.561 2
1 442 . 1 1 A 55 55 PHE C C 55 174.400 173.723 0.677 2
1 443 . 1 1 A 55 55 PHE CA C 55 56.700 56.199 0.501 2
1 444 . 1 1 A 55 55 PHE CB C 55 45.300 42.540 2.760 2
1 447 . 1 1 A 55 55 PHE N N 55 119.600 122.374 -2.774 2
1 448 . 1 1 A 56 56 ASP H H 56 8.840 9.111 -0.271 2
1 449 . 1 1 A 56 56 ASP HA H 56 5.350 5.330 0.020 2
1 452 . 1 1 A 56 56 ASP C C 56 174.400 174.488 -0.088 2
1 453 . 1 1 A 56 56 ASP CA C 56 52.900 52.473 0.427 2
1 454 . 1 1 A 56 56 ASP CB C 56 43.700 43.280 0.420 2
1 455 . 1 1 A 56 56 ASP N N 56 121.500 123.561 -2.061 2
1 456 . 1 1 A 57 57 ALA H H 57 8.780 8.892 -0.112 2
1 457 . 1 1 A 57 57 ALA HA H 57 5.620 5.293 0.327 2
1 461 . 1 1 A 57 57 ALA C C 57 176.400 175.765 0.635 2
1 462 . 1 1 A 57 57 ALA CA C 57 50.200 50.173 0.027 2
1 463 . 1 1 A 57 57 ALA CB C 57 23.600 20.898 2.702 2
1 464 . 1 1 A 57 57 ALA N N 57 125.000 129.146 -4.146 2
1 465 . 1 1 A 58 58 VAL H H 58 9.080 8.947 0.133 2
1 466 . 1 1 A 58 58 VAL HA H 58 4.580 4.430 0.150 2
1 474 . 1 1 A 58 58 VAL C C 58 175.000 174.958 0.042 2
1 475 . 1 1 A 58 58 VAL CA C 58 62.800 62.523 0.277 2
1 476 . 1 1 A 58 58 VAL CB C 58 34.100 31.684 2.416 2
1 479 . 1 1 A 58 58 VAL N N 58 125.100 123.232 1.868 2
1 480 . 1 1 A 59 59 ILE H H 59 8.750 9.100 -0.350 2
1 481 . 1 1 A 59 59 ILE HA H 59 4.430 4.954 -0.524 2
1 489 . 1 1 A 59 59 ILE C C 59 173.900 174.134 -0.234 2
1 490 . 1 1 A 59 59 ILE CA C 59 60.900 59.884 1.016 2
1 491 . 1 1 A 59 59 ILE CB C 59 41.100 40.218 0.882 2
1 495 . 1 1 A 59 59 ILE N N 59 125.000 127.951 -2.951 2
1 496 . 1 1 A 60 60 VAL H H 60 8.540 9.051 -0.511 2
1 497 . 1 1 A 60 60 VAL HA H 60 5.540 5.354 0.187 2
1 505 . 1 1 A 60 60 VAL C C 60 175.900 174.746 1.154 2
1 506 . 1 1 A 60 60 VAL CA C 60 60.200 61.233 -1.033 2
1 507 . 1 1 A 60 60 VAL CB C 60 31.800 32.805 -1.005 2
1 510 . 1 1 A 60 60 VAL N N 60 128.600 129.379 -0.779 2
1 511 . 1 1 A 61 61 SER H H 61 8.720 8.583 0.137 2
1 512 . 1 1 A 61 61 SER HA H 61 5.000 5.141 -0.141 2
1 515 . 1 1 A 61 61 SER C C 61 175.700 174.211 1.489 2
1 516 . 1 1 A 61 61 SER CA C 61 56.500 56.522 -0.022 2
1 517 . 1 1 A 61 61 SER CB C 61 64.400 65.510 -1.110 2
1 518 . 1 1 A 61 61 SER N N 61 115.900 121.515 -5.615 2
1 519 . 1 1 A 62 62 ASN H H 62 9.650 9.199 0.451 2
1 520 . 1 1 A 62 62 ASN HA H 62 4.670 4.517 0.153 2
1 525 . 1 1 A 62 62 ASN CA C 62 56.500 55.709 0.791 2
1 526 . 1 1 A 62 62 ASN CB C 62 38.600 38.122 0.478 2
1 528 . 1 1 A 62 62 ASN N N 62 129.400 124.213 5.187 2
1 530 . 1 1 A 63 63 ASN H H 63 8.920 8.293 0.627 2
1 531 . 1 1 A 63 63 ASN HA H 63 4.490 4.509 -0.019 2
1 536 . 1 1 A 63 63 ASN C C 63 175.200 177.062 -1.862 2
1 537 . 1 1 A 63 63 ASN CA C 63 55.700 55.662 0.038 2
1 538 . 1 1 A 63 63 ASN CB C 63 37.600 38.514 -0.914 2
1 539 . 1 1 A 63 63 ASN N N 63 119.500 117.808 1.692 2
1 541 . 1 1 A 64 64 PHE H H 64 6.950 7.704 -0.754 2
1 542 . 1 1 A 64 64 PHE HA H 64 4.690 4.480 0.210 2
1 545 . 1 1 A 64 64 PHE C C 64 174.200 176.932 -2.732 2
1 546 . 1 1 A 64 64 PHE CA C 64 54.900 59.255 -4.355 2
1 547 . 1 1 A 64 64 PHE CB C 64 37.500 39.654 -2.154 2
1 548 . 1 1 A 64 64 PHE N N 64 113.700 119.279 -5.579 2
1 549 . 1 1 A 65 65 GLU H H 65 7.470 8.544 -1.074 2
1 550 . 1 1 A 65 65 GLU HA H 65 4.010 4.080 -0.070 2
1 555 . 1 1 A 65 65 GLU C C 65 174.800 177.688 -2.887 2
1 556 . 1 1 A 65 65 GLU CA C 65 58.400 58.415 -0.015 2
1 557 . 1 1 A 65 65 GLU CB C 65 29.700 28.675 1.025 2
1 559 . 1 1 A 65 65 GLU N N 65 120.500 118.544 1.956 2
1 560 . 1 1 A 66 66 ASP H H 66 9.010 7.729 1.281 2
1 561 . 1 1 A 66 66 ASP HA H 66 4.390 4.625 -0.235 2
1 564 . 1 1 A 66 66 ASP C C 66 175.000 175.741 -0.741 2
1 565 . 1 1 A 66 66 ASP CA C 66 55.800 54.462 1.338 2
1 566 . 1 1 A 66 66 ASP CB C 66 39.800 41.094 -1.294 2
1 567 . 1 1 A 66 66 ASP N N 66 119.200 120.088 -0.888 2
1 568 . 1 1 A 67 67 LYS H H 67 7.800 7.639 0.161 2
1 569 . 1 1 A 67 67 LYS C C 67 177.400 175.338 2.062 2
1 570 . 1 1 A 67 67 LYS CA C 67 54.700 57.375 -2.675 2
1 571 . 1 1 A 67 67 LYS CB C 67 38.400 30.102 8.298 2
1 575 . 1 1 A 67 67 LYS N N 67 117.200 117.562 -0.362 2
1 576 . 1 1 A 68 68 LYS H H 68 9.340 8.004 1.336 2
1 577 . 1 1 A 68 68 LYS HA H 68 4.400 4.438 -0.038 2
1 586 . 1 1 A 68 68 LYS C C 68 177.500 176.995 0.505 2
1 587 . 1 1 A 68 68 LYS CA C 68 55.900 55.157 0.743 2
1 588 . 1 1 A 68 68 LYS CB C 68 32.700 31.184 1.516 2
1 592 . 1 1 A 68 68 LYS N N 68 125.800 119.920 5.880 2
1 593 . 1 1 A 69 69 LEU H H 69 8.710 8.305 0.405 2
1 594 . 1 1 A 69 69 LEU HA H 69 3.630 4.139 -0.509 2
1 603 . 1 1 A 69 69 LEU C C 69 178.400 178.489 -0.089 2
1 604 . 1 1 A 69 69 LEU CA C 69 60.300 58.148 2.152 2
1 605 . 1 1 A 69 69 LEU CB C 69 41.600 41.654 -0.054 2
1 608 . 1 1 A 69 69 LEU N N 69 124.300 125.628 -1.328 2
1 609 . 1 1 A 70 70 LEU H H 70 8.700 8.068 0.632 2
1 610 . 1 1 A 70 70 LEU HA H 70 3.930 4.007 -0.077 2
1 620 . 1 1 A 70 70 LEU C C 70 179.400 178.643 0.757 2
1 621 . 1 1 A 70 70 LEU CA C 70 58.200 58.085 0.115 2
1 622 . 1 1 A 70 70 LEU CB C 70 41.700 41.136 0.564 2
1 626 . 1 1 A 70 70 LEU N N 70 116.100 117.936 -1.835 2
1 627 . 1 1 A 71 71 ASP H H 71 7.130 8.314 -1.184 2
1 628 . 1 1 A 71 71 ASP HA H 71 4.660 4.369 0.291 2
1 631 . 1 1 A 71 71 ASP C C 71 179.000 178.617 0.383 2
1 632 . 1 1 A 71 71 ASP CA C 71 57.100 57.418 -0.318 2
1 633 . 1 1 A 71 71 ASP CB C 71 40.800 40.877 -0.077 2
1 634 . 1 1 A 71 71 ASP N N 71 117.600 119.758 -2.159 2
1 635 . 1 1 A 72 72 ARG H H 72 8.190 8.090 0.100 2
1 636 . 1 1 A 72 72 ARG HA H 72 3.930 4.050 -0.120 2
1 637 . 1 1 A 72 72 ARG C C 72 177.000 178.469 -1.469 2
1 638 . 1 1 A 72 72 ARG CA C 72 60.100 58.946 1.154 2
1 639 . 1 1 A 72 72 ARG CB C 72 29.300 29.881 -0.581 2
1 642 . 1 1 A 72 72 ARG N N 72 122.200 119.188 3.013 2
1 643 . 1 1 A 73 73 HIS H H 73 8.030 8.222 -0.192 2
1 644 . 1 1 A 73 73 HIS HA H 73 4.100 4.267 -0.167 2
1 648 . 1 1 A 73 73 HIS C C 73 177.300 177.147 0.153 2
1 649 . 1 1 A 73 73 HIS CA C 73 58.100 59.893 -1.793 2
1 650 . 1 1 A 73 73 HIS CB C 73 30.200 29.797 0.403 2
1 652 . 1 1 A 73 73 HIS N N 73 116.800 119.813 -3.013 2
1 653 . 1 1 A 74 74 ARG H H 74 8.290 8.296 -0.006 2
1 654 . 1 1 A 74 74 ARG HA H 74 4.080 3.989 0.091 2
1 661 . 1 1 A 74 74 ARG C C 74 178.700 178.770 -0.070 2
1 662 . 1 1 A 74 74 ARG CA C 74 59.700 58.939 0.761 2
1 663 . 1 1 A 74 74 ARG CB C 74 30.400 30.046 0.354 2
1 666 . 1 1 A 74 74 ARG N N 74 118.200 118.485 -0.285 2
1 667 . 1 1 A 75 75 LEU H H 75 7.740 8.151 -0.411 2
1 668 . 1 1 A 75 75 LEU HA H 75 4.270 4.034 0.236 2
1 678 . 1 1 A 75 75 LEU CA C 75 58.300 58.093 0.207 2
1 679 . 1 1 A 75 75 LEU CB C 75 42.000 42.062 -0.062 2
1 683 . 1 1 A 75 75 LEU N N 75 121.200 121.292 -0.092 2
1 684 . 1 1 A 76 76 VAL H H 76 7.590 8.003 -0.413 2
1 685 . 1 1 A 76 76 VAL HA H 76 3.360 3.482 -0.122 2
1 693 . 1 1 A 76 76 VAL C C 76 176.800 177.264 -0.464 2
1 694 . 1 1 A 76 76 VAL CA C 76 67.500 66.783 0.717 2
1 695 . 1 1 A 76 76 VAL CB C 76 31.500 31.182 0.318 2
1 698 . 1 1 A 76 76 VAL N N 76 119.300 117.709 1.591 2
1 699 . 1 1 A 77 77 ASN H H 77 8.690 8.089 0.601 2
1 700 . 1 1 A 77 77 ASN HA H 77 4.190 4.425 -0.235 2
1 705 . 1 1 A 77 77 ASN C C 77 178.000 178.198 -0.198 2
1 706 . 1 1 A 77 77 ASN CA C 77 55.400 56.201 -0.801 2
1 707 . 1 1 A 77 77 ASN CB C 77 37.600 37.935 -0.335 2
1 708 . 1 1 A 77 77 ASN N N 77 117.100 118.979 -1.879 2
1 710 . 1 1 A 78 78 THR H H 78 8.050 7.938 0.112 2
1 711 . 1 1 A 78 78 THR HA H 78 3.970 3.963 0.007 2
1 716 . 1 1 A 78 78 THR C C 78 176.900 176.419 0.481 2
1 717 . 1 1 A 78 78 THR CA C 78 66.700 67.185 -0.485 2
1 718 . 1 1 A 78 78 THR CB C 78 68.800 68.512 0.288 2
1 720 . 1 1 A 78 78 THR N N 78 116.300 117.120 -0.820 2
1 721 . 1 1 A 79 79 ILE H H 79 8.020 7.660 0.360 2
1 722 . 1 1 A 79 79 ILE HA H 79 3.670 3.817 -0.147 2
1 730 . 1 1 A 79 79 ILE CA C 79 65.000 64.034 0.966 2
1 731 . 1 1 A 79 79 ILE CB C 79 38.500 38.050 0.450 2
1 734 . 1 1 A 79 79 ILE N N 79 124.800 120.553 4.247 2
1 735 . 1 1 A 80 80 LEU H H 80 7.770 8.201 -0.431 2
1 745 . 1 1 A 80 80 LEU C C 80 176.000 178.701 -2.701 2
1 746 . 1 1 A 80 80 LEU CA C 80 52.900 55.565 -2.664 2
1 747 . 1 1 A 80 80 LEU CB C 80 41.100 41.432 -0.332 2
1 751 . 1 1 A 80 80 LEU N N 80 115.200 119.419 -4.219 2
1 752 . 1 1 A 81 81 LYS H H 81 6.880 7.773 -0.893 2
1 753 . 1 1 A 81 81 LYS HA H 81 3.820 3.883 -0.063 2
1 762 . 1 1 A 81 81 LYS C C 81 178.400 179.017 -0.617 2
1 763 . 1 1 A 81 81 LYS CA C 81 60.700 59.794 0.906 2
1 764 . 1 1 A 81 81 LYS CB C 81 32.800 32.451 0.349 2
1 768 . 1 1 A 81 81 LYS N N 81 120.300 121.176 -0.876 2
1 769 . 1 1 A 82 82 GLU H H 82 8.620 8.119 0.501 2
1 770 . 1 1 A 82 82 GLU HA H 82 4.020 4.062 -0.042 2
1 773 . 1 1 A 82 82 GLU C C 82 178.500 178.898 -0.398 2
1 774 . 1 1 A 82 82 GLU CA C 82 59.000 59.228 -0.228 2
1 775 . 1 1 A 82 82 GLU CB C 82 28.700 29.046 -0.346 2
1 777 . 1 1 A 82 82 GLU N N 82 116.700 118.379 -1.679 2
1 778 . 1 1 A 83 83 GLU H H 83 8.070 7.772 0.298 2
1 779 . 1 1 A 83 83 GLU HA H 83 3.980 3.958 0.022 2
1 784 . 1 1 A 83 83 GLU C C 83 179.300 178.949 0.351 2
1 785 . 1 1 A 83 83 GLU CA C 83 60.900 59.155 1.745 2
1 786 . 1 1 A 83 83 GLU CB C 83 28.900 29.317 -0.418 2
1 788 . 1 1 A 83 83 GLU N N 83 120.300 119.986 0.314 2
1 789 . 1 1 A 84 84 LEU H H 84 8.480 8.438 0.042 2
1 790 . 1 1 A 84 84 LEU HA H 84 3.910 3.930 -0.020 2
1 800 . 1 1 A 84 84 LEU C C 84 178.200 179.290 -1.090 2
1 801 . 1 1 A 84 84 LEU CA C 84 57.000 58.046 -1.046 2
1 802 . 1 1 A 84 84 LEU CB C 84 40.800 41.295 -0.495 2
1 806 . 1 1 A 84 84 LEU N N 84 116.700 120.062 -3.362 2
1 807 . 1 1 A 85 85 GLN H H 85 7.130 7.683 -0.553 2
1 808 . 1 1 A 85 85 GLN HA H 85 4.140 4.053 0.087 2
1 815 . 1 1 A 85 85 GLN C C 85 176.300 177.253 -0.953 2
1 816 . 1 1 A 85 85 GLN CA C 85 57.900 58.585 -0.685 2
1 817 . 1 1 A 85 85 GLN CB C 85 28.900 28.380 0.520 2
1 819 . 1 1 A 85 85 GLN N N 85 115.400 116.712 -1.312 2
1 821 . 1 1 A 86 86 ASN H H 86 7.630 7.891 -0.261 2
1 822 . 1 1 A 86 86 ASN HA H 86 5.020 4.819 0.201 2
1 827 . 1 1 A 86 86 ASN C C 86 174.100 174.647 -0.547 2
1 828 . 1 1 A 86 86 ASN CA C 86 52.800 53.761 -0.961 2
1 829 . 1 1 A 86 86 ASN CB C 86 40.400 39.339 1.061 2
1 830 . 1 1 A 86 86 ASN N N 86 114.000 115.713 -1.713 2
1 832 . 1 1 A 87 87 ILE H H 87 7.300 7.940 -0.640 2
1 833 . 1 1 A 87 87 ILE HA H 87 4.320 4.705 -0.385 2
1 843 . 1 1 A 87 87 ILE C C 87 174.500 176.030 -1.530 2
1 844 . 1 1 A 87 87 ILE CA C 87 60.400 59.837 0.563 2
1 845 . 1 1 A 87 87 ILE CB C 87 40.600 40.825 -0.225 2
1 849 . 1 1 A 87 87 ILE N N 87 119.300 119.688 -0.388 2
1 850 . 1 1 A 88 88 HIS H H 88 9.140 8.805 0.335 2
1 851 . 1 1 A 88 88 HIS HA H 88 4.680 4.489 0.191 2
1 855 . 1 1 A 88 88 HIS CA C 88 57.300 58.481 -1.181 2
1 856 . 1 1 A 88 88 HIS CB C 88 30.200 31.098 -0.898 2
1 858 . 1 1 A 88 88 HIS N N 88 125.000 125.237 -0.237 2
1 859 . 1 1 A 89 89 ALA H H 89 7.600 7.722 -0.122 2
1 860 . 1 1 A 89 89 ALA HA H 89 4.620 4.544 0.076 2
1 864 . 1 1 A 89 89 ALA C C 89 174.300 175.762 -1.462 2
1 865 . 1 1 A 89 89 ALA CA C 89 52.300 51.519 0.781 2
1 866 . 1 1 A 89 89 ALA CB C 89 21.300 20.276 1.024 2
1 867 . 1 1 A 89 89 ALA N N 89 120.100 119.093 1.007 2
1 868 . 1 1 A 90 90 PHE H H 90 8.830 9.239 -0.409 2
1 869 . 1 1 A 90 90 PHE HA H 90 5.220 5.265 -0.045 2
1 877 . 1 1 A 90 90 PHE C C 90 173.700 174.161 -0.461 2
1 878 . 1 1 A 90 90 PHE CA C 90 57.200 57.312 -0.111 2
1 879 . 1 1 A 90 90 PHE CB C 90 42.000 41.576 0.424 2
1 885 . 1 1 A 90 90 PHE N N 90 126.100 126.755 -0.655 2
1 886 . 1 1 A 91 91 SER H H 91 8.320 8.576 -0.256 2
1 887 . 1 1 A 91 91 SER HA H 91 4.730 5.163 -0.433 2
1 891 . 1 1 A 91 91 SER C C 91 172.600 172.609 -0.009 2
1 892 . 1 1 A 91 91 SER CA C 91 56.500 56.545 -0.045 2
1 893 . 1 1 A 91 91 SER CB C 91 64.100 65.987 -1.887 2
1 894 . 1 1 A 91 91 SER N N 91 123.100 122.666 0.434 2
1 895 . 1 1 A 92 92 MET H H 92 8.660 9.041 -0.381 2
1 896 . 1 1 A 92 92 MET HA H 92 5.490 5.379 0.111 2
1 901 . 1 1 A 92 92 MET C C 92 174.300 174.363 -0.063 2
1 902 . 1 1 A 92 92 MET CA C 92 53.600 53.376 0.224 2
1 903 . 1 1 A 92 92 MET CB C 92 37.500 35.314 2.186 2
1 906 . 1 1 A 92 92 MET N N 92 119.600 120.345 -0.745 2
1 907 . 1 1 A 93 93 LYS H H 93 8.190 9.065 -0.875 2
1 908 . 1 1 A 93 93 LYS HA H 93 4.450 4.848 -0.398 2
1 917 . 1 1 A 93 93 LYS C C 93 174.400 175.136 -0.736 2
1 918 . 1 1 A 93 93 LYS CA C 93 55.400 54.792 0.608 2
1 919 . 1 1 A 93 93 LYS CB C 93 34.700 34.213 0.487 2
1 923 . 1 1 A 93 93 LYS N N 93 122.700 121.371 1.329 2
1 924 . 1 1 A 94 94 CYS H H 94 8.340 8.709 -0.369 2
1 925 . 1 1 A 94 94 CYS HA H 94 4.960 4.995 -0.035 2
1 928 . 1 1 A 94 94 CYS C C 94 173.600 174.047 -0.447 2
1 929 . 1 1 A 94 94 CYS CA C 94 56.600 57.630 -1.030 2
1 930 . 1 1 A 94 94 CYS CB C 94 29.800 28.534 1.266 2
1 931 . 1 1 A 94 94 CYS N N 94 120.300 125.135 -4.835 2
1 932 . 1 1 A 95 95 HIS H H 95 9.040 8.961 0.079 2
1 933 . 1 1 A 95 95 HIS HA H 95 5.440 5.170 0.270 2
1 936 . 1 1 A 95 95 HIS C C 95 175.700 174.484 1.216 2
1 937 . 1 1 A 95 95 HIS CA C 95 53.600 54.809 -1.209 2
1 938 . 1 1 A 95 95 HIS CB C 95 35.300 34.125 1.175 2
1 939 . 1 1 A 95 95 HIS N N 95 122.000 121.779 0.221 2
1 940 . 1 1 A 96 96 THR H H 96 8.910 8.667 0.243 2
1 941 . 1 1 A 96 96 THR HA H 96 5.150 5.014 0.136 2
1 945 . 1 1 A 96 96 THR CA C 96 60.100 59.054 1.046 2
1 946 . 1 1 A 96 96 THR CB C 96 67.600 69.814 -2.214 2
1 948 . 1 1 A 96 96 THR N N 96 113.600 113.334 0.266 2
1 949 . 1 1 A 97 97 PRO HA H 97 4.060 4.446 -0.386 2
1 956 . 1 1 A 97 97 PRO C C 97 178.600 178.312 0.288 2
1 957 . 1 1 A 97 97 PRO CA C 97 66.600 65.553 1.047 2
1 958 . 1 1 A 97 97 PRO CB C 97 31.600 31.805 -0.205 2
1 961 . 1 1 A 98 98 LEU H H 98 8.410 7.713 0.697 2
1 962 . 1 1 A 98 98 LEU HA H 98 4.230 4.063 0.167 2
1 971 . 1 1 A 98 98 LEU C C 98 179.800 178.858 0.942 2
1 972 . 1 1 A 98 98 LEU CA C 98 58.200 57.651 0.549 2
1 973 . 1 1 A 98 98 LEU CB C 98 42.000 41.539 0.461 2
1 976 . 1 1 A 98 98 LEU N N 98 118.300 117.529 0.771 2
1 977 . 1 1 A 99 99 GLU H H 99 7.660 8.177 -0.517 2
1 978 . 1 1 A 99 99 GLU HA H 99 3.900 4.000 -0.100 2
1 983 . 1 1 A 99 99 GLU C C 99 180.200 178.733 1.467 2
1 984 . 1 1 A 99 99 GLU CA C 99 58.400 59.562 -1.162 2
1 985 . 1 1 A 99 99 GLU CB C 99 30.400 29.408 0.992 2
1 987 . 1 1 A 99 99 GLU N N 99 118.100 118.448 -0.348 2
1 988 . 1 1 A 100 100 TYR H H 100 8.770 8.305 0.465 2
1 989 . 1 1 A 100 100 TYR HA H 100 3.860 4.130 -0.270 2
1 996 . 1 1 A 100 100 TYR C C 100 176.800 177.446 -0.646 2
1 997 . 1 1 A 100 100 TYR CA C 100 60.800 61.199 -0.399 2
1 998 . 1 1 A 100 100 TYR CB C 100 39.200 38.586 0.614 2
1 1003 . 1 1 A 100 100 TYR N N 100 120.100 121.781 -1.681 2
1 1004 . 1 1 A 101 101 ASP H H 101 8.100 8.403 -0.303 2
1 1005 . 1 1 A 101 101 ASP HA H 101 4.180 4.133 0.047 2
1 1008 . 1 1 A 101 101 ASP C C 101 178.700 178.365 0.335 2
1 1009 . 1 1 A 101 101 ASP CA C 101 57.300 57.524 -0.224 2
1 1010 . 1 1 A 101 101 ASP CB C 101 40.800 41.788 -0.988 2
1 1011 . 1 1 A 101 101 ASP N N 101 118.400 119.120 -0.720 2
1 1012 . 1 1 A 102 102 LYS H H 102 7.480 7.621 -0.141 2
1 1013 . 1 1 A 102 102 LYS HA H 102 4.070 4.037 0.033 2
1 1020 . 1 1 A 102 102 LYS CA C 102 58.300 58.976 -0.676 2
1 1021 . 1 1 A 102 102 LYS CB C 102 32.300 32.243 0.057 2
1 1024 . 1 1 A 102 102 LYS N N 102 117.500 118.908 -1.408 2
1 1025 . 1 1 A 103 103 LEU H H 103 7.580 7.831 -0.251 2
1 1026 . 1 1 A 103 103 LEU HA H 103 4.050 3.941 0.109 2
1 1036 . 1 1 A 103 103 LEU C C 103 178.700 179.370 -0.670 2
1 1037 . 1 1 A 103 103 LEU CA C 103 56.800 57.659 -0.859 2
1 1038 . 1 1 A 103 103 LEU CB C 103 42.000 41.252 0.748 2
1 1042 . 1 1 A 103 103 LEU N N 103 120.100 119.966 0.134 2
1 1043 . 1 1 A 104 104 LYS H H 104 7.730 7.874 -0.144 2
1 1044 . 1 1 A 104 104 LYS HA H 104 3.960 3.907 0.053 2
1 1053 . 1 1 A 104 104 LYS CA C 104 56.700 58.545 -1.845 2
1 1054 . 1 1 A 104 104 LYS CB C 104 31.700 31.335 0.365 2
1 1058 . 1 1 A 104 104 LYS N N 104 118.500 118.433 0.067 2
1 1059 . 1 1 A 105 105 SER H H 105 7.790 7.685 0.105 2
1 1060 . 1 1 A 105 105 SER HA H 105 4.330 4.184 0.146 2
1 1063 . 1 1 A 105 105 SER C C 105 174.700 175.592 -0.892 2
1 1064 . 1 1 A 105 105 SER CA C 105 58.900 61.261 -2.361 2
1 1065 . 1 1 A 105 105 SER CB C 105 63.500 63.162 0.338 2
1 1066 . 1 1 A 105 105 SER N N 105 114.900 115.765 -0.865 2
1 1067 . 1 1 A 106 106 LYS H H 106 8.000 7.599 0.401 2
1 1068 . 1 1 A 106 106 LYS HA H 106 4.300 4.430 -0.130 2
1 1077 . 1 1 A 106 106 LYS C C 106 177.000 177.034 -0.034 2
1 1078 . 1 1 A 106 106 LYS CA C 106 56.600 56.185 0.415 2
1 1079 . 1 1 A 106 106 LYS CB C 106 32.800 34.147 -1.347 2
1 1081 . 1 1 A 106 106 LYS N N 106 122.400 115.782 6.618 2
1 1082 . 1 1 A 107 107 GLY H H 107 8.310 8.311 -0.001 2
1 1083 . 1 1 A 107 107 GLY HA2 H 107 3.990 3.941 0.049 2
1 1084 . 1 1 A 107 107 GLY HA3 H 107 3.990 3.970 0.020 2
1 1085 . 1 1 A 107 107 GLY CA C 107 45.300 45.633 -0.333 2
1 1086 . 1 1 A 107 107 GLY N N 107 110.000 109.017 0.983 2
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