data_16186_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16186
_Entry.PDB_ID 2KFP
_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 14 . 1 1 1 A 2 2 ASN H H 2 8.500 9.036 -0.536 1
1 15 . 1 1 1 A 2 2 ASN HA H 2 4.990 5.108 -0.118 1
1 20 . 1 1 1 A 2 2 ASN C C 2 175.600 176.752 -1.152 1
1 21 . 1 1 1 A 2 2 ASN CA C 2 51.000 52.241 -1.241 1
1 22 . 1 1 1 A 2 2 ASN CB C 2 40.000 40.213 -0.213 1
1 24 . 1 1 1 A 2 2 ASN N N 2 122.000 122.917 -0.917 1
1 26 . 1 1 1 A 3 3 ARG H H 3 8.950 8.910 0.040 1
1 27 . 1 1 1 A 3 3 ARG HA H 3 3.850 3.961 -0.111 1
1 35 . 1 1 1 A 3 3 ARG C C 3 175.600 178.797 -3.197 1
1 36 . 1 1 1 A 3 3 ARG CA C 3 60.400 60.483 -0.083 1
1 37 . 1 1 1 A 3 3 ARG CB C 3 30.900 30.386 0.514 1
1 41 . 1 1 1 A 3 3 ARG N N 3 117.600 122.990 -5.390 1
1 43 . 1 1 1 A 4 4 GLN H H 4 8.370 8.125 0.245 1
1 44 . 1 1 1 A 4 4 GLN HA H 4 3.900 4.060 -0.160 1
1 51 . 1 1 1 A 4 4 GLN C C 4 178.300 178.359 -0.059 1
1 52 . 1 1 1 A 4 4 GLN CA C 4 58.900 59.342 -0.442 1
1 53 . 1 1 1 A 4 4 GLN CB C 4 28.200 28.137 0.063 1
1 56 . 1 1 1 A 4 4 GLN N N 4 120.700 119.395 1.305 1
1 58 . 1 1 1 A 5 5 GLN H H 5 8.670 8.126 0.544 1
1 59 . 1 1 1 A 5 5 GLN HA H 5 4.190 4.137 0.053 1
1 66 . 1 1 1 A 5 5 GLN C C 5 180.000 178.647 1.353 1
1 67 . 1 1 1 A 5 5 GLN CA C 5 58.500 58.953 -0.453 1
1 68 . 1 1 1 A 5 5 GLN CB C 5 28.900 28.421 0.479 1
1 71 . 1 1 1 A 5 5 GLN N N 5 117.700 118.498 -0.798 1
1 73 . 1 1 1 A 6 6 PHE H H 6 8.270 8.065 0.205 1
1 74 . 1 1 1 A 6 6 PHE HA H 6 4.130 4.222 -0.092 1
1 82 . 1 1 1 A 6 6 PHE C C 6 175.500 177.393 -1.893 1
1 83 . 1 1 1 A 6 6 PHE CA C 6 62.700 61.269 1.431 1
1 84 . 1 1 1 A 6 6 PHE CB C 6 39.000 39.270 -0.270 1
1 90 . 1 1 1 A 6 6 PHE N N 6 121.200 120.610 0.590 1
1 91 . 1 1 1 A 7 7 ILE H H 7 8.390 8.600 -0.210 1
1 92 . 1 1 1 A 7 7 ILE HA H 7 3.280 3.537 -0.257 1
1 102 . 1 1 1 A 7 7 ILE C C 7 178.900 177.511 1.389 1
1 103 . 1 1 1 A 7 7 ILE CA C 7 66.400 65.328 1.072 1
1 104 . 1 1 1 A 7 7 ILE CB C 7 38.500 38.059 0.441 1
1 108 . 1 1 1 A 7 7 ILE N N 7 121.000 120.949 0.051 1
1 109 . 1 1 1 A 8 8 ASP H H 8 8.710 8.257 0.453 1
1 110 . 1 1 1 A 8 8 ASP HA H 8 4.370 4.265 0.105 1
1 113 . 1 1 1 A 8 8 ASP C C 8 178.000 178.255 -0.255 1
1 114 . 1 1 1 A 8 8 ASP CA C 8 57.300 57.252 0.048 1
1 115 . 1 1 1 A 8 8 ASP CB C 8 40.600 39.856 0.744 1
1 116 . 1 1 1 A 8 8 ASP N N 8 119.800 119.578 0.222 1
1 117 . 1 1 1 A 9 9 TYR H H 9 8.060 8.570 -0.510 1
1 118 . 1 1 1 A 9 9 TYR HA H 9 4.000 4.150 -0.150 1
1 125 . 1 1 1 A 9 9 TYR C C 9 176.500 177.453 -0.953 1
1 126 . 1 1 1 A 9 9 TYR CA C 9 61.700 61.685 0.015 1
1 127 . 1 1 1 A 9 9 TYR CB C 9 38.600 38.578 0.022 1
1 132 . 1 1 1 A 9 9 TYR N N 9 121.600 122.716 -1.116 1
1 133 . 1 1 1 A 10 10 ALA H H 10 8.340 8.112 0.228 1
1 134 . 1 1 1 A 10 10 ALA HA H 10 3.730 3.742 -0.012 1
1 138 . 1 1 1 A 10 10 ALA C C 10 180.200 179.860 0.340 1
1 139 . 1 1 1 A 10 10 ALA CA C 10 55.200 55.130 0.070 1
1 140 . 1 1 1 A 10 10 ALA CB C 10 17.300 17.339 -0.039 1
1 141 . 1 1 1 A 10 10 ALA N N 10 120.700 121.822 -1.122 1
1 142 . 1 1 1 A 11 11 GLN H H 11 7.830 7.858 -0.028 1
1 143 . 1 1 1 A 11 11 GLN HA H 11 4.130 3.927 0.203 1
1 150 . 1 1 1 A 11 11 GLN C C 11 178.300 177.904 0.396 1
1 151 . 1 1 1 A 11 11 GLN CA C 11 59.200 58.056 1.144 1
1 152 . 1 1 1 A 11 11 GLN CB C 11 28.600 28.417 0.183 1
1 155 . 1 1 1 A 11 11 GLN N N 11 116.600 116.648 -0.048 1
1 157 . 1 1 1 A 12 12 LYS H H 12 8.040 7.538 0.502 1
1 158 . 1 1 1 A 12 12 LYS HA H 12 3.890 3.889 0.001 1
1 167 . 1 1 1 A 12 12 LYS C C 12 178.200 178.096 0.104 1
1 168 . 1 1 1 A 12 12 LYS CA C 12 58.800 59.077 -0.277 1
1 169 . 1 1 1 A 12 12 LYS CB C 12 32.700 32.386 0.314 1
1 173 . 1 1 1 A 12 12 LYS N N 12 119.300 120.588 -1.288 1
1 174 . 1 1 1 A 13 13 LYS H H 13 8.440 7.854 0.586 1
1 175 . 1 1 1 A 13 13 LYS HA H 13 3.610 3.813 -0.203 1
1 184 . 1 1 1 A 13 13 LYS C C 13 177.600 177.753 -0.153 1
1 185 . 1 1 1 A 13 13 LYS CA C 13 56.900 58.112 -1.212 1
1 186 . 1 1 1 A 13 13 LYS CB C 13 32.000 32.517 -0.517 1
1 190 . 1 1 1 A 13 13 LYS N N 13 117.700 118.919 -1.219 1
1 191 . 1 1 1 A 14 14 TYR H H 14 6.780 7.831 -1.051 1
1 192 . 1 1 1 A 14 14 TYR HA H 14 4.530 4.624 -0.094 1
1 199 . 1 1 1 A 14 14 TYR C C 14 175.800 174.666 1.134 1
1 200 . 1 1 1 A 14 14 TYR CA C 14 56.600 57.512 -0.912 1
1 201 . 1 1 1 A 14 14 TYR CB C 14 39.500 38.707 0.793 1
1 206 . 1 1 1 A 14 14 TYR N N 14 113.100 115.164 -2.064 1
1 207 . 1 1 1 A 15 15 ASP H H 15 7.620 7.927 -0.307 1
1 208 . 1 1 1 A 15 15 ASP HA H 15 4.810 4.541 0.269 1
1 211 . 1 1 1 A 15 15 ASP C C 15 175.200 175.564 -0.364 1
1 212 . 1 1 1 A 15 15 ASP CA C 15 55.100 54.854 0.246 1
1 213 . 1 1 1 A 15 15 ASP CB C 15 39.300 38.549 0.751 1
1 214 . 1 1 1 A 15 15 ASP N N 15 119.600 118.557 1.043 1
1 215 . 1 1 1 A 16 16 THR H H 16 7.560 7.652 -0.092 1
1 216 . 1 1 1 A 16 16 THR HA H 16 4.650 4.638 0.012 1
1 222 . 1 1 1 A 16 16 THR C C 16 173.200 173.547 -0.347 1
1 223 . 1 1 1 A 16 16 THR CA C 16 61.500 60.540 0.960 1
1 224 . 1 1 1 A 16 16 THR CB C 16 71.000 71.683 -0.683 1
1 226 . 1 1 1 A 16 16 THR N N 16 113.100 114.687 -1.587 1
1 227 . 1 1 1 A 17 17 LYS H H 17 8.830 8.461 0.369 1
1 228 . 1 1 1 A 17 17 LYS HA H 17 4.690 4.797 -0.107 1
1 235 . 1 1 1 A 17 17 LYS C C 17 173.200 174.365 -1.165 1
1 236 . 1 1 1 A 17 17 LYS CA C 17 53.600 53.297 0.303 1
1 237 . 1 1 1 A 17 17 LYS CB C 17 32.800 32.463 0.337 1
1 241 . 1 1 1 A 17 17 LYS N N 17 127.200 126.917 0.283 1
1 242 . 1 1 1 A 18 18 PRO HA H 18 3.540 4.336 -0.796 1
1 249 . 1 1 1 A 18 18 PRO C C 18 175.800 175.412 0.388 1
1 250 . 1 1 1 A 18 18 PRO CA C 18 62.000 62.894 -0.894 1
1 251 . 1 1 1 A 18 18 PRO CB C 18 32.200 32.572 -0.372 1
1 254 . 1 1 1 A 19 19 ASP H H 19 8.310 7.946 0.364 1
1 255 . 1 1 1 A 19 19 ASP HA H 19 4.740 4.919 -0.179 1
1 258 . 1 1 1 A 19 19 ASP C C 19 175.100 173.798 1.302 1
1 259 . 1 1 1 A 19 19 ASP CA C 19 52.300 52.572 -0.272 1
1 260 . 1 1 1 A 19 19 ASP CB C 19 43.700 44.726 -1.026 1
1 261 . 1 1 1 A 19 19 ASP N N 19 120.300 119.495 0.805 1
1 262 . 1 1 1 A 20 20 HIS H H 20 8.620 8.193 0.427 1
1 263 . 1 1 1 A 20 20 HIS HA H 20 5.170 5.033 0.137 1
1 266 . 1 1 1 A 20 20 HIS CA C 20 53.200 52.444 0.756 1
1 267 . 1 1 1 A 20 20 HIS CB C 20 28.800 29.707 -0.907 1
1 268 . 1 1 1 A 20 20 HIS N N 20 118.800 117.212 1.588 1
1 269 . 1 1 1 A 21 21 PRO HA H 21 4.190 4.129 0.061 1
1 276 . 1 1 1 A 21 21 PRO C C 21 176.600 176.305 0.295 1
1 277 . 1 1 1 A 21 21 PRO CA C 21 63.900 64.802 -0.902 1
1 278 . 1 1 1 A 21 21 PRO CB C 21 32.100 31.085 1.015 1
1 281 . 1 1 1 A 22 22 TRP H H 22 8.340 7.523 0.817 1
1 282 . 1 1 1 A 22 22 TRP HA H 22 5.000 4.871 0.129 1
1 291 . 1 1 1 A 22 22 TRP C C 22 174.200 177.239 -3.039 1
1 292 . 1 1 1 A 22 22 TRP CA C 22 57.100 57.065 0.035 1
1 293 . 1 1 1 A 22 22 TRP CB C 22 29.400 30.146 -0.746 1
1 299 . 1 1 1 A 22 22 TRP N N 22 118.700 118.631 0.069 1
1 301 . 1 1 1 A 23 23 GLU H H 23 9.030 8.874 0.156 1
1 302 . 1 1 1 A 23 23 GLU HA H 23 4.000 4.209 -0.209 1
1 307 . 1 1 1 A 23 23 GLU C C 23 177.900 178.046 -0.146 1
1 308 . 1 1 1 A 23 23 GLU CA C 23 59.100 59.248 -0.148 1
1 309 . 1 1 1 A 23 23 GLU CB C 23 29.200 29.305 -0.105 1
1 311 . 1 1 1 A 23 23 GLU N N 23 128.400 124.948 3.452 1
1 312 . 1 1 1 A 24 24 LYS H H 24 8.500 7.898 0.602 1
1 313 . 1 1 1 A 24 24 LYS HA H 24 3.890 4.008 -0.118 1
1 322 . 1 1 1 A 24 24 LYS C C 24 175.300 176.097 -0.797 1
1 323 . 1 1 1 A 24 24 LYS CA C 24 57.100 58.062 -0.962 1
1 324 . 1 1 1 A 24 24 LYS CB C 24 32.300 31.649 0.651 1
1 328 . 1 1 1 A 24 24 LYS N N 24 115.100 117.764 -2.664 1
1 329 . 1 1 1 A 25 25 PHE H H 25 7.010 7.625 -0.615 1
1 330 . 1 1 1 A 25 25 PHE HA H 25 4.740 5.028 -0.288 1
1 338 . 1 1 1 A 25 25 PHE C C 25 175.300 174.545 0.755 1
1 339 . 1 1 1 A 25 25 PHE CA C 25 54.300 54.819 -0.519 1
1 340 . 1 1 1 A 25 25 PHE CB C 25 39.200 38.711 0.489 1
1 346 . 1 1 1 A 25 25 PHE N N 25 115.100 117.532 -2.432 1
1 347 . 1 1 1 A 26 26 PRO HA H 26 4.380 4.484 -0.104 1
1 354 . 1 1 1 A 26 26 PRO C C 26 176.900 177.179 -0.279 1
1 355 . 1 1 1 A 26 26 PRO CA C 26 64.900 64.881 0.019 1
1 356 . 1 1 1 A 26 26 PRO CB C 26 32.200 31.835 0.365 1
1 359 . 1 1 1 A 27 27 ASP H H 27 8.860 8.768 0.092 1
1 360 . 1 1 1 A 27 27 ASP HA H 27 4.810 4.669 0.141 1
1 363 . 1 1 1 A 27 27 ASP C C 27 177.200 176.321 0.879 1
1 364 . 1 1 1 A 27 27 ASP CA C 27 53.900 55.160 -1.260 1
1 365 . 1 1 1 A 27 27 ASP CB C 27 39.900 41.471 -1.571 1
1 366 . 1 1 1 A 27 27 ASP N N 27 114.400 117.886 -3.486 1
1 367 . 1 1 1 A 28 28 TYR H H 28 8.300 7.789 0.511 1
1 368 . 1 1 1 A 28 28 TYR HA H 28 5.500 4.866 0.634 1
1 375 . 1 1 1 A 28 28 TYR C C 28 175.900 176.414 -0.514 1
1 376 . 1 1 1 A 28 28 TYR CA C 28 55.600 57.993 -2.393 1
1 377 . 1 1 1 A 28 28 TYR CB C 28 36.400 40.331 -3.931 1
1 382 . 1 1 1 A 28 28 TYR N N 28 123.700 119.393 4.307 1
1 383 . 1 1 1 A 29 29 ALA H H 29 9.240 8.313 0.927 1
1 384 . 1 1 1 A 29 29 ALA HA H 29 5.030 5.106 -0.076 1
1 388 . 1 1 1 A 29 29 ALA C C 29 174.600 175.454 -0.854 1
1 389 . 1 1 1 A 29 29 ALA CA C 29 49.700 50.441 -0.741 1
1 390 . 1 1 1 A 29 29 ALA CB C 29 22.800 22.190 0.610 1
1 391 . 1 1 1 A 29 29 ALA N N 29 126.000 124.335 1.665 1
1 392 . 1 1 1 A 30 30 VAL H H 30 8.530 8.620 -0.090 1
1 393 . 1 1 1 A 30 30 VAL HA H 30 4.250 4.708 -0.458 1
1 401 . 1 1 1 A 30 30 VAL C C 30 173.400 174.661 -1.261 1
1 402 . 1 1 1 A 30 30 VAL CA C 30 60.300 60.941 -0.641 1
1 403 . 1 1 1 A 30 30 VAL CB C 30 34.100 34.591 -0.491 1
1 406 . 1 1 1 A 30 30 VAL N N 30 119.700 121.997 -2.297 1
1 407 . 1 1 1 A 31 31 PHE H H 31 8.040 8.790 -0.750 1
1 408 . 1 1 1 A 31 31 PHE HA H 31 4.250 5.126 -0.876 1
1 416 . 1 1 1 A 31 31 PHE C C 31 173.200 174.883 -1.683 1
1 417 . 1 1 1 A 31 31 PHE CA C 31 56.700 56.370 0.330 1
1 418 . 1 1 1 A 31 31 PHE CB C 31 38.500 41.394 -2.894 1
1 424 . 1 1 1 A 31 31 PHE N N 31 124.100 126.339 -2.239 1
1 425 . 1 1 1 A 32 32 ARG H H 32 8.720 8.598 0.122 1
1 426 . 1 1 1 A 32 32 ARG HA H 32 5.320 4.480 0.840 1
1 434 . 1 1 1 A 32 32 ARG C C 32 176.400 173.228 3.172 1
1 435 . 1 1 1 A 32 32 ARG CA C 32 53.400 54.231 -0.831 1
1 436 . 1 1 1 A 32 32 ARG CB C 32 34.200 33.064 1.136 1
1 440 . 1 1 1 A 32 32 ARG N N 32 122.300 118.986 3.314 1
1 442 . 1 1 1 A 33 33 HIS H H 33 8.560 7.890 0.670 1
1 443 . 1 1 1 A 33 33 HIS HA H 33 4.710 4.938 -0.228 1
1 446 . 1 1 1 A 33 33 HIS C C 33 176.400 175.438 0.962 1
1 447 . 1 1 1 A 33 33 HIS CA C 33 56.500 54.705 1.795 1
1 448 . 1 1 1 A 33 33 HIS CB C 33 28.900 31.280 -2.380 1
1 449 . 1 1 1 A 33 33 HIS N N 33 119.800 119.830 -0.030 1
1 450 . 1 1 1 A 34 34 SER H H 34 9.160 8.963 0.197 1
1 451 . 1 1 1 A 34 34 SER HA H 34 4.390 4.411 -0.021 1
1 454 . 1 1 1 A 34 34 SER C C 34 174.900 174.526 0.374 1
1 455 . 1 1 1 A 34 34 SER CA C 34 60.400 60.925 -0.525 1
1 456 . 1 1 1 A 34 34 SER CB C 34 63.200 63.420 -0.220 1
1 457 . 1 1 1 A 34 34 SER N N 34 118.700 120.400 -1.700 1
1 458 . 1 1 1 A 35 35 ASP H H 35 8.660 8.074 0.586 1
1 459 . 1 1 1 A 35 35 ASP HA H 35 4.570 4.532 0.038 1
1 462 . 1 1 1 A 35 35 ASP C C 35 177.000 176.570 0.430 1
1 463 . 1 1 1 A 35 35 ASP CA C 35 54.300 55.333 -1.033 1
1 464 . 1 1 1 A 35 35 ASP CB C 35 39.700 41.161 -1.461 1
1 465 . 1 1 1 A 35 35 ASP N N 35 118.200 119.491 -1.291 1
1 466 . 1 1 1 A 36 36 ASN H H 36 7.900 7.767 0.133 1
1 467 . 1 1 1 A 36 36 ASN HA H 36 4.660 4.799 -0.139 1
1 472 . 1 1 1 A 36 36 ASN C C 36 175.100 174.855 0.245 1
1 473 . 1 1 1 A 36 36 ASN CA C 36 52.000 53.681 -1.681 1
1 474 . 1 1 1 A 36 36 ASN CB C 36 38.900 40.562 -1.662 1
1 476 . 1 1 1 A 36 36 ASN N N 36 116.200 116.948 -0.748 1
1 478 . 1 1 1 A 37 37 ASP H H 37 7.890 8.548 -0.658 1
1 479 . 1 1 1 A 37 37 ASP HA H 37 4.670 4.479 0.191 1
1 482 . 1 1 1 A 37 37 ASP C C 37 175.800 175.001 0.799 1
1 483 . 1 1 1 A 37 37 ASP CA C 37 55.800 54.684 1.116 1
1 484 . 1 1 1 A 37 37 ASP CB C 37 40.500 40.398 0.102 1
1 485 . 1 1 1 A 37 37 ASP N N 37 115.300 118.523 -3.223 1
1 486 . 1 1 1 A 38 38 LYS H H 38 8.310 7.066 1.244 1
1 487 . 1 1 1 A 38 38 LYS HA H 38 4.390 3.332 1.058 1
1 496 . 1 1 1 A 38 38 LYS C C 38 175.300 174.011 1.289 1
1 497 . 1 1 1 A 38 38 LYS CA C 38 56.700 56.146 0.554 1
1 498 . 1 1 1 A 38 38 LYS CB C 38 32.500 31.138 1.362 1
1 502 . 1 1 1 A 38 38 LYS N N 38 119.300 122.711 -3.411 1
1 503 . 1 1 1 A 39 39 TRP HA H 39 5.000 5.324 -0.324 1
1 512 . 1 1 1 A 39 39 TRP C C 39 176.100 173.220 2.880 1
1 513 . 1 1 1 A 39 39 TRP CA C 39 55.700 55.462 0.238 1
1 514 . 1 1 1 A 39 39 TRP CB C 39 30.300 31.300 -1.000 1
1 521 . 1 1 1 A 40 40 TYR H H 40 9.270 8.794 0.476 1
1 522 . 1 1 1 A 40 40 TYR HA H 40 5.280 5.129 0.151 1
1 525 . 1 1 1 A 40 40 TYR C C 40 175.400 175.363 0.037 1
1 526 . 1 1 1 A 40 40 TYR CA C 40 55.700 56.235 -0.535 1
1 527 . 1 1 1 A 40 40 TYR CB C 40 40.300 41.909 -1.609 1
1 528 . 1 1 1 A 40 40 TYR N N 40 114.000 118.076 -4.076 1
1 529 . 1 1 1 A 41 41 ALA H H 41 7.760 8.617 -0.857 1
1 530 . 1 1 1 A 41 41 ALA HA H 41 5.580 5.047 0.533 1
1 534 . 1 1 1 A 41 41 ALA C C 41 177.300 175.728 1.572 1
1 535 . 1 1 1 A 41 41 ALA CA C 41 52.900 51.909 0.991 1
1 536 . 1 1 1 A 41 41 ALA CB C 41 21.900 20.154 1.746 1
1 537 . 1 1 1 A 41 41 ALA N N 41 121.500 123.732 -2.232 1
1 538 . 1 1 1 A 42 42 LEU H H 42 8.300 8.901 -0.601 1
1 539 . 1 1 1 A 42 42 LEU HA H 42 5.200 5.408 -0.208 1
1 549 . 1 1 1 A 42 42 LEU C C 42 173.300 174.778 -1.478 1
1 550 . 1 1 1 A 42 42 LEU CA C 42 54.100 52.892 1.208 1
1 551 . 1 1 1 A 42 42 LEU CB C 42 45.900 45.801 0.099 1
1 555 . 1 1 1 A 42 42 LEU N N 42 123.700 120.840 2.860 1
1 556 . 1 1 1 A 43 43 LEU H H 43 9.700 9.053 0.647 1
1 557 . 1 1 1 A 43 43 LEU HA H 43 5.250 5.310 -0.060 1
1 567 . 1 1 1 A 43 43 LEU C C 43 173.300 175.103 -1.803 1
1 568 . 1 1 1 A 43 43 LEU CA C 43 54.000 53.361 0.639 1
1 569 . 1 1 1 A 43 43 LEU CB C 43 46.000 44.978 1.022 1
1 573 . 1 1 1 A 43 43 LEU N N 43 130.400 123.026 7.374 1
1 574 . 1 1 1 A 44 44 MET H H 44 8.800 8.402 0.398 1
1 575 . 1 1 1 A 44 44 MET HA H 44 4.420 4.758 -0.338 1
1 583 . 1 1 1 A 44 44 MET C C 44 172.500 173.542 -1.042 1
1 584 . 1 1 1 A 44 44 MET CA C 44 55.000 53.414 1.586 1
1 585 . 1 1 1 A 44 44 MET CB C 44 39.100 34.996 4.104 1
1 588 . 1 1 1 A 44 44 MET N N 44 122.800 122.762 0.038 1
1 589 . 1 1 1 A 45 45 ASP H H 45 7.960 8.623 -0.663 1
1 590 . 1 1 1 A 45 45 ASP HA H 45 5.490 5.313 0.177 1
1 593 . 1 1 1 A 45 45 ASP C C 45 175.200 175.769 -0.569 1
1 594 . 1 1 1 A 45 45 ASP CA C 45 51.900 53.617 -1.717 1
1 595 . 1 1 1 A 45 45 ASP CB C 45 40.800 41.823 -1.023 1
1 596 . 1 1 1 A 45 45 ASP N N 45 119.400 119.141 0.259 1
1 597 . 1 1 1 A 46 46 ILE H H 46 8.800 8.389 0.411 1
1 598 . 1 1 1 A 46 46 ILE HA H 46 4.870 4.899 -0.029 1
1 608 . 1 1 1 A 46 46 ILE CA C 46 57.700 57.139 0.561 1
1 609 . 1 1 1 A 46 46 ILE CB C 46 40.100 39.746 0.354 1
1 613 . 1 1 1 A 46 46 ILE N N 46 117.400 118.141 -0.741 1
1 614 . 1 1 1 A 47 47 PRO HA H 47 4.420 4.472 -0.052 1
1 621 . 1 1 1 A 47 47 PRO C C 47 177.800 177.392 0.408 1
1 622 . 1 1 1 A 47 47 PRO CA C 47 63.000 63.035 -0.035 1
1 623 . 1 1 1 A 47 47 PRO CB C 47 31.900 32.618 -0.718 1
1 626 . 1 1 1 A 48 48 ALA H H 48 8.550 8.395 0.155 1
1 627 . 1 1 1 A 48 48 ALA HA H 48 3.550 3.984 -0.434 1
1 631 . 1 1 1 A 48 48 ALA C C 48 179.200 178.795 0.405 1
1 632 . 1 1 1 A 48 48 ALA CA C 48 55.200 54.750 0.450 1
1 633 . 1 1 1 A 48 48 ALA CB C 48 17.700 18.221 -0.521 1
1 634 . 1 1 1 A 48 48 ALA N N 48 130.100 126.776 3.324 1
1 635 . 1 1 1 A 49 49 GLU H H 49 8.700 8.382 0.318 1
1 636 . 1 1 1 A 49 49 GLU HA H 49 4.180 4.315 -0.135 1
1 641 . 1 1 1 A 49 49 GLU C C 49 179.800 177.222 2.578 1
1 642 . 1 1 1 A 49 49 GLU CA C 49 58.200 57.901 0.299 1
1 643 . 1 1 1 A 49 49 GLU CB C 49 28.200 28.177 0.023 1
1 645 . 1 1 1 A 49 49 GLU N N 49 114.900 115.507 -0.607 1
1 646 . 1 1 1 A 50 50 LYS H H 50 7.910 7.737 0.173 1
1 647 . 1 1 1 A 50 50 LYS HA H 50 4.060 4.109 -0.049 1
1 656 . 1 1 1 A 50 50 LYS C C 50 178.100 177.644 0.456 1
1 657 . 1 1 1 A 50 50 LYS CA C 50 56.900 57.308 -0.408 1
1 658 . 1 1 1 A 50 50 LYS CB C 50 31.700 32.090 -0.390 1
1 662 . 1 1 1 A 50 50 LYS N N 50 118.100 117.945 0.155 1
1 663 . 1 1 1 A 51 51 ILE H H 51 7.190 7.052 0.138 1
1 664 . 1 1 1 A 51 51 ILE HA H 51 4.490 4.147 0.343 1
1 674 . 1 1 1 A 51 51 ILE C C 51 175.300 176.403 -1.103 1
1 675 . 1 1 1 A 51 51 ILE CA C 51 60.100 59.959 0.141 1
1 676 . 1 1 1 A 51 51 ILE CB C 51 37.400 37.456 -0.056 1
1 680 . 1 1 1 A 51 51 ILE N N 51 109.000 112.794 -3.794 1
1 681 . 1 1 1 A 52 52 GLY H H 52 7.370 7.813 -0.443 1
1 682 . 1 1 1 A 52 52 GLY HA2 H 52 4.050 3.855 0.195 1
1 683 . 1 1 1 A 52 52 GLY HA3 H 52 3.730 3.889 -0.159 1
1 684 . 1 1 1 A 52 52 GLY C C 52 174.200 174.005 0.195 1
1 685 . 1 1 1 A 52 52 GLY CA C 52 46.100 44.881 1.219 1
1 686 . 1 1 1 A 52 52 GLY N N 52 106.900 110.454 -3.554 1
1 687 . 1 1 1 A 53 53 ILE H H 53 7.260 7.017 0.243 1
1 688 . 1 1 1 A 53 53 ILE HA H 53 4.040 4.085 -0.045 1
1 698 . 1 1 1 A 53 53 ILE C C 53 174.700 176.583 -1.883 1
1 699 . 1 1 1 A 53 53 ILE CA C 53 60.500 60.641 -0.141 1
1 700 . 1 1 1 A 53 53 ILE CB C 53 38.700 37.504 1.196 1
1 704 . 1 1 1 A 53 53 ILE N N 53 121.900 122.114 -0.214 1
1 705 . 1 1 1 A 54 54 ASN H H 54 8.280 8.724 -0.444 1
1 706 . 1 1 1 A 54 54 ASN HA H 54 4.540 4.423 0.117 1
1 711 . 1 1 1 A 54 54 ASN C C 54 175.400 177.054 -1.654 1
1 712 . 1 1 1 A 54 54 ASN CA C 54 53.700 55.885 -2.185 1
1 713 . 1 1 1 A 54 54 ASN CB C 54 39.000 38.331 0.669 1
1 715 . 1 1 1 A 54 54 ASN N N 54 123.300 123.048 0.252 1
1 717 . 1 1 1 A 55 55 GLY H H 55 8.240 8.065 0.175 1
1 718 . 1 1 1 A 55 55 GLY HA2 H 55 4.230 3.988 0.242 1
1 719 . 1 1 1 A 55 55 GLY HA3 H 55 3.740 3.990 -0.250 1
1 720 . 1 1 1 A 55 55 GLY C C 55 173.200 174.438 -1.238 1
1 721 . 1 1 1 A 55 55 GLY CA C 55 44.800 45.540 -0.740 1
1 722 . 1 1 1 A 55 55 GLY N N 55 110.200 107.293 2.907 1
1 723 . 1 1 1 A 56 56 ASP H H 56 8.320 8.892 -0.572 1
1 724 . 1 1 1 A 56 56 ASP HA H 56 4.700 4.792 -0.092 1
1 727 . 1 1 1 A 56 56 ASP C C 56 175.800 175.668 0.132 1
1 728 . 1 1 1 A 56 56 ASP CA C 56 53.400 53.485 -0.085 1
1 729 . 1 1 1 A 56 56 ASP CB C 56 40.500 41.164 -0.664 1
1 730 . 1 1 1 A 56 56 ASP N N 56 119.000 122.731 -3.731 1
1 731 . 1 1 1 A 57 57 LYS H H 57 7.780 7.311 0.469 1
1 732 . 1 1 1 A 57 57 LYS HA H 57 4.400 4.383 0.017 1
1 741 . 1 1 1 A 57 57 LYS C C 57 175.700 176.249 -0.549 1
1 742 . 1 1 1 A 57 57 LYS CA C 57 55.600 56.172 -0.572 1
1 743 . 1 1 1 A 57 57 LYS CB C 57 33.700 32.928 0.772 1
1 747 . 1 1 1 A 57 57 LYS N N 57 119.500 118.208 1.292 1
1 748 . 1 1 1 A 58 58 ARG H H 58 8.410 8.615 -0.205 1
1 749 . 1 1 1 A 58 58 ARG HA H 58 4.740 4.547 0.193 1
1 757 . 1 1 1 A 58 58 ARG C C 58 176.200 176.296 -0.096 1
1 758 . 1 1 1 A 58 58 ARG CA C 58 55.300 56.255 -0.955 1
1 759 . 1 1 1 A 58 58 ARG CB C 58 31.700 30.875 0.825 1
1 763 . 1 1 1 A 58 58 ARG N N 58 120.900 123.075 -2.175 1
1 765 . 1 1 1 A 59 59 VAL H H 59 9.030 8.543 0.487 1
1 766 . 1 1 1 A 59 59 VAL HA H 59 4.570 4.990 -0.420 1
1 774 . 1 1 1 A 59 59 VAL C C 59 173.900 173.241 0.659 1
1 775 . 1 1 1 A 59 59 VAL CA C 59 58.700 58.577 0.123 1
1 776 . 1 1 1 A 59 59 VAL CB C 59 34.700 35.735 -1.035 1
1 779 . 1 1 1 A 59 59 VAL N N 59 115.600 118.624 -3.024 1
1 780 . 1 1 1 A 60 60 ASP H H 60 8.290 9.298 -1.008 1
1 781 . 1 1 1 A 60 60 ASP HA H 60 5.560 5.363 0.197 1
1 784 . 1 1 1 A 60 60 ASP C C 60 175.800 175.475 0.325 1
1 785 . 1 1 1 A 60 60 ASP CA C 60 53.600 53.123 0.477 1
1 786 . 1 1 1 A 60 60 ASP CB C 60 43.100 43.484 -0.384 1
1 787 . 1 1 1 A 60 60 ASP N N 60 120.700 123.025 -2.325 1
1 788 . 1 1 1 A 61 61 VAL H H 61 9.080 8.592 0.488 1
1 789 . 1 1 1 A 61 61 VAL HA H 61 5.150 5.247 -0.097 1
1 797 . 1 1 1 A 61 61 VAL C C 61 173.800 174.395 -0.595 1
1 798 . 1 1 1 A 61 61 VAL CA C 61 57.600 59.129 -1.529 1
1 799 . 1 1 1 A 61 61 VAL CB C 61 35.500 35.820 -0.320 1
1 802 . 1 1 1 A 61 61 VAL N N 61 115.200 118.209 -3.009 1
1 803 . 1 1 1 A 62 62 ILE H H 62 8.530 8.391 0.139 1
1 804 . 1 1 1 A 62 62 ILE HA H 62 5.550 5.025 0.525 1
1 814 . 1 1 1 A 62 62 ILE CA C 62 57.800 58.323 -0.523 1
1 815 . 1 1 1 A 62 62 ILE CB C 62 41.700 41.541 0.159 1
1 819 . 1 1 1 A 62 62 ILE N N 62 112.000 118.381 -6.381 1
1 820 . 1 1 1 A 64 64 LEU HA H 64 4.960 5.182 -0.222 1
1 830 . 1 1 1 A 64 64 LEU C C 64 173.100 174.449 -1.349 1
1 831 . 1 1 1 A 64 64 LEU CA C 64 53.500 53.624 -0.124 1
1 832 . 1 1 1 A 64 64 LEU CB C 64 47.000 45.974 1.026 1
1 836 . 1 1 1 A 65 65 LYS H H 65 8.470 9.203 -0.733 1
1 837 . 1 1 1 A 65 65 LYS HA H 65 3.760 5.344 -1.584 1
1 846 . 1 1 1 A 65 65 LYS C C 65 175.100 176.359 -1.259 1
1 847 . 1 1 1 A 65 65 LYS CA C 65 55.700 55.846 -0.146 1
1 848 . 1 1 1 A 65 65 LYS CB C 65 33.600 33.701 -0.101 1
1 852 . 1 1 1 A 65 65 LYS N N 65 126.700 128.886 -2.186 1
1 853 . 1 1 1 A 66 66 VAL H H 66 7.840 8.603 -0.763 1
1 854 . 1 1 1 A 66 66 VAL HA H 66 4.410 4.942 -0.532 1
1 862 . 1 1 1 A 66 66 VAL C C 66 175.300 175.019 0.281 1
1 863 . 1 1 1 A 66 66 VAL CA C 66 58.300 58.740 -0.440 1
1 864 . 1 1 1 A 66 66 VAL CB C 66 36.400 35.885 0.515 1
1 867 . 1 1 1 A 66 66 VAL N N 66 116.000 119.397 -3.397 1
1 868 . 1 1 1 A 67 67 GLN H H 67 8.620 8.487 0.133 1
1 869 . 1 1 1 A 67 67 GLN HA H 67 4.350 4.510 -0.160 1
1 876 . 1 1 1 A 67 67 GLN CA C 67 54.900 54.217 0.683 1
1 877 . 1 1 1 A 67 67 GLN CB C 67 27.600 28.052 -0.452 1
1 880 . 1 1 1 A 67 67 GLN N N 67 123.000 120.996 2.004 1
1 882 . 1 1 1 A 68 68 PRO HA H 68 4.200 4.202 -0.002 1
1 889 . 1 1 1 A 68 68 PRO C C 68 179.400 176.980 2.420 1
1 890 . 1 1 1 A 68 68 PRO CA C 68 65.100 64.571 0.529 1
1 891 . 1 1 1 A 68 68 PRO CB C 68 31.700 31.923 -0.223 1
1 894 . 1 1 1 A 69 69 GLU H H 69 9.620 8.804 0.816 1
1 895 . 1 1 1 A 69 69 GLU HA H 69 4.190 4.184 0.006 1
1 900 . 1 1 1 A 69 69 GLU C C 69 177.100 177.322 -0.222 1
1 901 . 1 1 1 A 69 69 GLU CA C 69 58.600 57.811 0.789 1
1 902 . 1 1 1 A 69 69 GLU CB C 69 28.100 29.654 -1.554 1
1 904 . 1 1 1 A 69 69 GLU N N 69 116.900 115.375 1.525 1
1 905 . 1 1 1 A 70 70 LEU H H 70 7.940 7.674 0.266 1
1 906 . 1 1 1 A 70 70 LEU HA H 70 4.460 4.413 0.047 1
1 916 . 1 1 1 A 70 70 LEU C C 70 177.600 177.850 -0.250 1
1 917 . 1 1 1 A 70 70 LEU CA C 70 54.500 54.741 -0.241 1
1 918 . 1 1 1 A 70 70 LEU CB C 70 42.800 42.238 0.562 1
1 922 . 1 1 1 A 70 70 LEU N N 70 118.700 119.933 -1.233 1
1 923 . 1 1 1 A 71 71 VAL H H 71 7.080 7.747 -0.667 1
1 924 . 1 1 1 A 71 71 VAL HA H 71 3.210 3.757 -0.547 1
1 932 . 1 1 1 A 71 71 VAL C C 71 176.800 177.708 -0.908 1
1 933 . 1 1 1 A 71 71 VAL CA C 71 67.700 65.880 1.820 1
1 934 . 1 1 1 A 71 71 VAL CB C 71 32.000 31.193 0.807 1
1 937 . 1 1 1 A 71 71 VAL N N 71 120.300 120.619 -0.319 1
1 938 . 1 1 1 A 72 72 GLY H H 72 8.540 8.209 0.331 1
1 939 . 1 1 1 A 72 72 GLY HA2 H 72 3.770 3.786 -0.016 1
1 940 . 1 1 1 A 72 72 GLY HA3 H 72 3.630 3.789 -0.159 1
1 941 . 1 1 1 A 72 72 GLY C C 72 176.300 176.057 0.243 1
1 942 . 1 1 1 A 72 72 GLY CA C 72 47.000 47.525 -0.525 1
1 943 . 1 1 1 A 72 72 GLY N N 72 105.300 109.136 -3.836 1
1 944 . 1 1 1 A 73 73 SER H H 73 7.870 8.125 -0.255 1
1 945 . 1 1 1 A 73 73 SER HA H 73 4.170 4.208 -0.038 1
1 948 . 1 1 1 A 73 73 SER C C 73 178.000 177.120 0.880 1
1 949 . 1 1 1 A 73 73 SER CA C 73 60.600 61.239 -0.639 1
1 950 . 1 1 1 A 73 73 SER CB C 73 62.700 63.048 -0.348 1
1 951 . 1 1 1 A 73 73 SER N N 73 115.700 116.812 -1.112 1
1 952 . 1 1 1 A 74 74 LEU H H 74 8.340 7.931 0.409 1
1 953 . 1 1 1 A 74 74 LEU HA H 74 4.000 4.107 -0.107 1
1 963 . 1 1 1 A 74 74 LEU C C 74 178.400 178.230 0.170 1
1 964 . 1 1 1 A 74 74 LEU CA C 74 57.900 57.641 0.259 1
1 965 . 1 1 1 A 74 74 LEU CB C 74 41.700 41.706 -0.006 1
1 969 . 1 1 1 A 74 74 LEU N N 74 124.600 122.342 2.258 1
1 970 . 1 1 1 A 75 75 ARG H H 75 7.850 8.396 -0.546 1
1 971 . 1 1 1 A 75 75 ARG HA H 75 3.750 4.036 -0.286 1
1 979 . 1 1 1 A 75 75 ARG C C 75 176.500 178.264 -1.764 1
1 980 . 1 1 1 A 75 75 ARG CA C 75 57.800 58.783 -0.983 1
1 981 . 1 1 1 A 75 75 ARG CB C 75 29.500 29.736 -0.236 1
1 985 . 1 1 1 A 75 75 ARG N N 75 113.300 118.753 -5.453 1
1 987 . 1 1 1 A 76 76 LYS H H 76 7.100 7.652 -0.552 1
1 988 . 1 1 1 A 76 76 LYS HA H 76 4.210 4.046 0.164 1
1 997 . 1 1 1 A 76 76 LYS C C 76 177.000 177.279 -0.279 1
1 998 . 1 1 1 A 76 76 LYS CA C 76 56.500 59.065 -2.565 1
1 999 . 1 1 1 A 76 76 LYS CB C 76 32.700 32.102 0.598 1
1 1003 . 1 1 1 A 76 76 LYS N N 76 116.600 118.969 -2.369 1
1 1004 . 1 1 1 A 77 77 LYS H H 77 7.830 7.492 0.338 1
1 1005 . 1 1 1 A 77 77 LYS HA H 77 4.470 4.429 0.041 1
1 1014 . 1 1 1 A 77 77 LYS CA C 77 54.500 54.484 0.016 1
1 1015 . 1 1 1 A 77 77 LYS CB C 77 31.800 32.121 -0.321 1
1 1019 . 1 1 1 A 77 77 LYS N N 77 122.900 120.106 2.794 1
1 1020 . 1 1 1 A 78 78 PRO HA H 78 4.190 4.146 0.044 1
1 1027 . 1 1 1 A 78 78 PRO C C 78 176.600 177.237 -0.637 1
1 1028 . 1 1 1 A 78 78 PRO CA C 78 63.700 63.528 0.172 1
1 1029 . 1 1 1 A 78 78 PRO CB C 78 31.900 32.160 -0.260 1
1 1032 . 1 1 1 A 79 79 GLY H H 79 8.290 8.694 -0.404 1
1 1033 . 1 1 1 A 79 79 GLY HA2 H 79 4.350 3.887 0.463 1
1 1034 . 1 1 1 A 79 79 GLY HA3 H 79 3.590 3.935 -0.345 1
1 1035 . 1 1 1 A 79 79 GLY C C 79 172.000 173.732 -1.732 1
1 1036 . 1 1 1 A 79 79 GLY CA C 79 45.500 45.277 0.223 1
1 1037 . 1 1 1 A 79 79 GLY N N 79 109.300 110.495 -1.195 1
1 1038 . 1 1 1 A 80 80 ILE H H 80 7.300 7.754 -0.454 1
1 1039 . 1 1 1 A 80 80 ILE HA H 80 4.770 4.174 0.596 1
1 1049 . 1 1 1 A 80 80 ILE C C 80 174.200 174.882 -0.682 1
1 1050 . 1 1 1 A 80 80 ILE CA C 80 60.500 60.991 -0.491 1
1 1051 . 1 1 1 A 80 80 ILE CB C 80 37.000 38.910 -1.910 1
1 1055 . 1 1 1 A 80 80 ILE N N 80 119.200 122.340 -3.140 1
1 1056 . 1 1 1 A 81 81 TYR H H 81 9.490 8.643 0.847 1
1 1057 . 1 1 1 A 81 81 TYR HA H 81 4.840 4.984 -0.144 1
1 1064 . 1 1 1 A 81 81 TYR CA C 81 56.800 55.774 1.026 1
1 1065 . 1 1 1 A 81 81 TYR CB C 81 39.800 39.666 0.134 1
1 1070 . 1 1 1 A 81 81 TYR N N 81 126.100 126.584 -0.484 1
1 1071 . 1 1 1 A 82 82 PRO HA H 82 4.610 4.562 0.048 1
1 1078 . 1 1 1 A 82 82 PRO CA C 82 62.300 62.976 -0.676 1
1 1079 . 1 1 1 A 82 82 PRO CB C 82 32.000 32.142 -0.142 1
1 1082 . 1 1 1 A 83 83 ALA HA H 83 4.140 4.750 -0.610 1
1 1086 . 1 1 1 A 84 84 TYR HA H 84 4.470 4.689 -0.219 1
1 1093 . 1 1 1 A 84 84 TYR CA C 84 57.500 57.729 -0.229 1
1 1094 . 1 1 1 A 84 84 TYR CB C 84 39.500 38.564 0.936 1
1 1099 . 1 1 1 A 87 87 ASN HA H 87 4.410 4.701 -0.291 1
1 1104 . 1 1 1 A 87 87 ASN C C 87 176.500 174.863 1.637 1
1 1105 . 1 1 1 A 87 87 ASN CA C 87 55.100 52.588 2.512 1
1 1106 . 1 1 1 A 87 87 ASN CB C 87 40.600 39.350 1.250 1
1 1109 . 1 1 1 A 88 88 LYS H H 88 8.710 8.599 0.111 1
1 1110 . 1 1 1 A 88 88 LYS HA H 88 4.320 4.387 -0.067 1
1 1119 . 1 1 1 A 88 88 LYS C C 88 177.600 177.382 0.218 1
1 1120 . 1 1 1 A 88 88 LYS CA C 88 58.100 57.759 0.341 1
1 1121 . 1 1 1 A 88 88 LYS CB C 88 33.000 34.276 -1.276 1
1 1125 . 1 1 1 A 88 88 LYS N N 88 123.800 119.652 4.148 1
1 1126 . 1 1 1 A 89 89 GLU H H 89 8.390 8.310 0.080 1
1 1127 . 1 1 1 A 89 89 GLU HA H 89 4.270 3.991 0.279 1
1 1132 . 1 1 1 A 89 89 GLU C C 89 176.500 178.659 -2.159 1
1 1133 . 1 1 1 A 89 89 GLU CA C 89 57.800 59.031 -1.231 1
1 1134 . 1 1 1 A 89 89 GLU CB C 89 30.100 28.858 1.242 1
1 1136 . 1 1 1 A 89 89 GLU N N 89 117.000 118.141 -1.141 1
1 1137 . 1 1 1 A 90 90 HIS H H 90 7.600 7.527 0.073 1
1 1138 . 1 1 1 A 90 90 HIS HA H 90 4.580 4.297 0.283 1
1 1142 . 1 1 1 A 90 90 HIS C C 90 170.800 175.159 -4.359 1
1 1143 . 1 1 1 A 90 90 HIS CA C 90 55.500 58.529 -3.029 1
1 1144 . 1 1 1 A 90 90 HIS CB C 90 32.200 29.199 3.001 1
1 1145 . 1 1 1 A 90 90 HIS N N 90 111.500 117.317 -5.817 1
1 1146 . 1 1 1 A 91 91 TRP H H 91 7.650 7.584 0.066 1
1 1147 . 1 1 1 A 91 91 TRP HA H 91 5.610 5.436 0.174 1
1 1156 . 1 1 1 A 91 91 TRP C C 91 174.600 175.319 -0.719 1
1 1157 . 1 1 1 A 91 91 TRP CA C 91 55.500 55.762 -0.262 1
1 1158 . 1 1 1 A 91 91 TRP CB C 91 31.700 32.696 -0.996 1
1 1163 . 1 1 1 A 91 91 TRP N N 91 117.400 115.624 1.776 1
1 1165 . 1 1 1 A 92 92 ILE H H 92 9.100 9.200 -0.100 1
1 1166 . 1 1 1 A 92 92 ILE HA H 92 4.630 4.668 -0.038 1
1 1176 . 1 1 1 A 92 92 ILE C C 92 174.500 175.197 -0.697 1
1 1177 . 1 1 1 A 92 92 ILE CA C 92 59.800 60.022 -0.222 1
1 1178 . 1 1 1 A 92 92 ILE CB C 92 42.500 42.330 0.170 1
1 1182 . 1 1 1 A 92 92 ILE N N 92 111.700 123.467 -11.767 1
1 1183 . 1 1 1 A 93 93 THR H H 93 8.570 8.608 -0.038 1
1 1184 . 1 1 1 A 93 93 THR HA H 93 4.250 4.670 -0.420 1
1 1190 . 1 1 1 A 93 93 THR CA C 93 61.800 62.757 -0.957 1
1 1191 . 1 1 1 A 93 93 THR CB C 93 70.200 69.848 0.352 1
1 1193 . 1 1 1 A 93 93 THR N N 93 117.600 123.530 -5.930 1
1 1194 . 1 1 1 A 94 94 VAL HA H 94 4.680 4.711 -0.031 1
1 1202 . 1 1 1 A 94 94 VAL C C 94 175.400 174.865 0.535 1
1 1203 . 1 1 1 A 94 94 VAL CA C 94 60.700 60.887 -0.187 1
1 1204 . 1 1 1 A 94 94 VAL CB C 94 34.100 34.431 -0.331 1
1 1207 . 1 1 1 A 95 95 LEU H H 95 8.080 8.519 -0.439 1
1 1208 . 1 1 1 A 95 95 LEU HA H 95 4.330 4.569 -0.239 1
1 1218 . 1 1 1 A 95 95 LEU C C 95 176.400 176.122 0.278 1
1 1219 . 1 1 1 A 95 95 LEU CA C 95 55.000 54.416 0.584 1
1 1220 . 1 1 1 A 95 95 LEU CB C 95 44.300 41.920 2.380 1
1 1224 . 1 1 1 A 95 95 LEU N N 95 127.500 127.744 -0.244 1
1 1225 . 1 1 1 A 96 96 LEU H H 96 8.050 8.178 -0.128 1
1 1226 . 1 1 1 A 96 96 LEU HA H 96 4.150 4.025 0.125 1
1 1236 . 1 1 1 A 96 96 LEU C C 96 177.400 178.676 -1.276 1
1 1237 . 1 1 1 A 96 96 LEU CA C 96 56.500 58.073 -1.573 1
1 1238 . 1 1 1 A 96 96 LEU CB C 96 40.500 41.430 -0.930 1
1 1242 . 1 1 1 A 96 96 LEU N N 96 128.100 127.054 1.046 1
1 1243 . 1 1 1 A 97 97 ASN H H 97 8.690 8.126 0.564 1
1 1244 . 1 1 1 A 97 97 ASN HA H 97 4.740 4.762 -0.022 1
1 1249 . 1 1 1 A 97 97 ASN C C 97 174.900 176.030 -1.130 1
1 1250 . 1 1 1 A 97 97 ASN CA C 97 53.000 53.940 -0.940 1
1 1251 . 1 1 1 A 97 97 ASN CB C 97 37.700 38.354 -0.654 1
1 1252 . 1 1 1 A 97 97 ASN N N 97 117.200 115.048 2.152 1
1 1254 . 1 1 1 A 98 98 GLY H H 98 7.820 8.065 -0.245 1
1 1255 . 1 1 1 A 98 98 GLY HA2 H 98 4.470 4.084 0.386 1
1 1256 . 1 1 1 A 98 98 GLY HA3 H 98 3.740 4.087 -0.347 1
1 1257 . 1 1 1 A 98 98 GLY C C 98 174.900 174.714 0.186 1
1 1258 . 1 1 1 A 98 98 GLY CA C 98 44.900 44.090 0.810 1
1 1259 . 1 1 1 A 98 98 GLY N N 98 108.600 108.152 0.448 1
1 1260 . 1 1 1 A 99 99 PRO HA H 99 4.380 4.602 -0.222 1
1 1267 . 1 1 1 A 99 99 PRO C C 99 177.400 176.379 1.021 1
1 1268 . 1 1 1 A 99 99 PRO CA C 99 63.900 63.476 0.424 1
1 1269 . 1 1 1 A 99 99 PRO CB C 99 32.400 32.105 0.295 1
1 1272 . 1 1 1 A 100 100 LEU H H 100 7.750 7.436 0.314 1
1 1273 . 1 1 1 A 100 100 LEU HA H 100 4.280 4.220 0.060 1
1 1283 . 1 1 1 A 100 100 LEU C C 100 177.400 177.064 0.336 1
1 1284 . 1 1 1 A 100 100 LEU CA C 100 55.800 54.966 0.834 1
1 1285 . 1 1 1 A 100 100 LEU CB C 100 42.600 42.277 0.323 1
1 1289 . 1 1 1 A 100 100 LEU N N 100 120.300 119.531 0.769 1
1 1290 . 1 1 1 A 101 101 GLY H H 101 8.620 8.354 0.266 1
1 1291 . 1 1 1 A 101 101 GLY HA2 H 101 4.110 4.102 0.008 1
1 1292 . 1 1 1 A 101 101 GLY HA3 H 101 3.890 4.107 -0.217 1
1 1293 . 1 1 1 A 101 101 GLY C C 101 173.600 174.750 -1.150 1
1 1294 . 1 1 1 A 101 101 GLY CA C 101 44.300 44.602 -0.302 1
1 1295 . 1 1 1 A 101 101 GLY N N 101 110.600 110.116 0.484 1
1 1296 . 1 1 1 A 102 102 ALA H H 102 8.310 9.005 -0.695 1
1 1297 . 1 1 1 A 102 102 ALA HA H 102 3.520 3.799 -0.279 1
1 1301 . 1 1 1 A 102 102 ALA C C 102 178.900 179.618 -0.718 1
1 1302 . 1 1 1 A 102 102 ALA CA C 102 55.400 54.540 0.860 1
1 1303 . 1 1 1 A 102 102 ALA CB C 102 18.600 18.149 0.451 1
1 1304 . 1 1 1 A 102 102 ALA N N 102 122.000 124.002 -2.002 1
1 1305 . 1 1 1 A 103 103 LYS H H 103 8.360 7.781 0.579 1
1 1306 . 1 1 1 A 103 103 LYS HA H 103 3.730 3.854 -0.124 1
1 1315 . 1 1 1 A 103 103 LYS C C 103 179.400 178.635 0.765 1
1 1316 . 1 1 1 A 103 103 LYS CA C 103 60.000 59.145 0.855 1
1 1317 . 1 1 1 A 103 103 LYS CB C 103 31.900 31.996 -0.096 1
1 1321 . 1 1 1 A 103 103 LYS N N 103 116.500 116.161 0.339 1
1 1322 . 1 1 1 A 104 104 GLU H H 104 7.890 7.964 -0.074 1
1 1323 . 1 1 1 A 104 104 GLU HA H 104 4.080 4.069 0.011 1
1 1328 . 1 1 1 A 104 104 GLU C C 104 179.300 179.621 -0.321 1
1 1329 . 1 1 1 A 104 104 GLU CA C 104 59.500 59.057 0.443 1
1 1330 . 1 1 1 A 104 104 GLU CB C 104 29.100 29.560 -0.460 1
1 1332 . 1 1 1 A 104 104 GLU N N 104 120.000 119.163 0.837 1
1 1333 . 1 1 1 A 105 105 ILE H H 105 8.170 7.817 0.353 1
1 1334 . 1 1 1 A 105 105 ILE HA H 105 3.520 3.667 -0.147 1
1 1344 . 1 1 1 A 105 105 ILE C C 105 178.100 178.120 -0.020 1
1 1345 . 1 1 1 A 105 105 ILE CA C 105 66.700 65.313 1.387 1
1 1346 . 1 1 1 A 105 105 ILE CB C 105 37.700 37.753 -0.053 1
1 1350 . 1 1 1 A 105 105 ILE N N 105 119.500 120.519 -1.019 1
1 1351 . 1 1 1 A 106 106 HIS H H 106 8.930 7.999 0.931 1
1 1352 . 1 1 1 A 106 106 HIS HA H 106 4.230 4.212 0.018 1
1 1356 . 1 1 1 A 106 106 HIS C C 106 178.000 177.764 0.236 1
1 1357 . 1 1 1 A 106 106 HIS CA C 106 57.600 59.894 -2.294 1
1 1358 . 1 1 1 A 106 106 HIS CB C 106 28.400 29.434 -1.034 1
1 1360 . 1 1 1 A 106 106 HIS N N 106 116.700 120.199 -3.499 1
1 1361 . 1 1 1 A 107 107 SER H H 107 8.060 7.987 0.073 1
1 1362 . 1 1 1 A 107 107 SER HA H 107 4.310 4.147 0.163 1
1 1365 . 1 1 1 A 107 107 SER C C 107 175.900 177.568 -1.668 1
1 1366 . 1 1 1 A 107 107 SER CA C 107 62.200 61.389 0.811 1
1 1367 . 1 1 1 A 107 107 SER CB C 107 62.500 62.873 -0.373 1
1 1368 . 1 1 1 A 107 107 SER N N 107 117.000 115.033 1.967 1
1 1369 . 1 1 1 A 108 108 LEU H H 108 7.950 8.155 -0.205 1
1 1370 . 1 1 1 A 108 108 LEU HA H 108 4.180 4.046 0.134 1
1 1380 . 1 1 1 A 108 108 LEU C C 108 180.600 179.060 1.540 1
1 1381 . 1 1 1 A 108 108 LEU CA C 108 57.900 58.019 -0.119 1
1 1382 . 1 1 1 A 108 108 LEU CB C 108 42.500 41.830 0.670 1
1 1386 . 1 1 1 A 108 108 LEU N N 108 121.800 121.646 0.154 1
1 1387 . 1 1 1 A 109 109 ILE H H 109 8.730 8.350 0.380 1
1 1388 . 1 1 1 A 109 109 ILE HA H 109 3.830 3.873 -0.043 1
1 1398 . 1 1 1 A 109 109 ILE C C 109 176.800 178.147 -1.347 1
1 1399 . 1 1 1 A 109 109 ILE CA C 109 65.800 65.632 0.168 1
1 1400 . 1 1 1 A 109 109 ILE CB C 109 38.600 37.628 0.972 1
1 1404 . 1 1 1 A 109 109 ILE N N 109 120.200 120.039 0.161 1
1 1405 . 1 1 1 A 110 110 GLU H H 110 7.960 8.655 -0.695 1
1 1406 . 1 1 1 A 110 110 GLU HA H 110 4.280 4.038 0.242 1
1 1411 . 1 1 1 A 110 110 GLU C C 110 178.500 178.771 -0.271 1
1 1412 . 1 1 1 A 110 110 GLU CA C 110 58.800 60.023 -1.223 1
1 1413 . 1 1 1 A 110 110 GLU CB C 110 28.200 29.310 -1.110 1
1 1415 . 1 1 1 A 110 110 GLU N N 110 120.800 121.427 -0.627 1
1 1416 . 1 1 1 A 111 111 ASP H H 111 8.290 7.864 0.426 1
1 1417 . 1 1 1 A 111 111 ASP HA H 111 4.470 4.515 -0.045 1
1 1420 . 1 1 1 A 111 111 ASP C C 111 178.200 178.699 -0.499 1
1 1421 . 1 1 1 A 111 111 ASP CA C 111 57.100 57.179 -0.079 1
1 1422 . 1 1 1 A 111 111 ASP CB C 111 39.300 40.337 -1.037 1
1 1423 . 1 1 1 A 111 111 ASP N N 111 119.200 120.694 -1.494 1
1 1424 . 1 1 1 A 112 112 SER H H 112 7.800 8.129 -0.329 1
1 1425 . 1 1 1 A 112 112 SER HA H 112 4.200 4.376 -0.176 1
1 1428 . 1 1 1 A 112 112 SER C C 112 178.600 176.686 1.914 1
1 1429 . 1 1 1 A 112 112 SER CA C 112 61.200 61.310 -0.110 1
1 1430 . 1 1 1 A 112 112 SER CB C 112 64.200 62.571 1.629 1
1 1431 . 1 1 1 A 112 112 SER N N 112 114.700 114.649 0.051 1
1 1432 . 1 1 1 A 113 113 PHE H H 113 9.160 9.027 0.133 1
1 1433 . 1 1 1 A 113 113 PHE HA H 113 3.210 4.529 -1.319 1
1 1436 . 1 1 1 A 113 113 PHE C C 113 178.100 177.702 0.398 1
1 1437 . 1 1 1 A 113 113 PHE CA C 113 62.900 61.907 0.993 1
1 1438 . 1 1 1 A 113 113 PHE CB C 113 39.100 39.255 -0.155 1
1 1439 . 1 1 1 A 113 113 PHE N N 113 121.400 124.303 -2.903 1
1 1440 . 1 1 1 A 114 114 GLN H H 114 8.870 7.966 0.904 1
1 1441 . 1 1 1 A 114 114 GLN HA H 114 4.000 3.868 0.132 1
1 1448 . 1 1 1 A 114 114 GLN C C 114 179.700 177.394 2.306 1
1 1449 . 1 1 1 A 114 114 GLN CA C 114 58.300 58.611 -0.311 1
1 1450 . 1 1 1 A 114 114 GLN CB C 114 27.600 28.412 -0.812 1
1 1453 . 1 1 1 A 114 114 GLN N N 114 116.800 117.787 -0.987 1
1 1455 . 1 1 1 A 115 115 LEU H H 115 8.570 7.804 0.766 1
1 1456 . 1 1 1 A 115 115 LEU HA H 115 4.090 4.238 -0.148 1
1 1466 . 1 1 1 A 115 115 LEU C C 115 178.600 177.993 0.607 1
1 1467 . 1 1 1 A 115 115 LEU CA C 115 57.300 56.128 1.172 1
1 1468 . 1 1 1 A 115 115 LEU CB C 115 43.200 42.276 0.924 1
1 1472 . 1 1 1 A 115 115 LEU N N 115 119.800 119.350 0.450 1
1 1473 . 1 1 1 A 116 116 THR H H 116 7.240 7.939 -0.699 1
1 1474 . 1 1 1 A 116 116 THR HA H 116 4.270 4.475 -0.205 1
1 1480 . 1 1 1 A 116 116 THR C C 116 173.200 174.412 -1.212 1
1 1481 . 1 1 1 A 116 116 THR CA C 116 60.700 61.313 -0.613 1
1 1482 . 1 1 1 A 116 116 THR CB C 116 70.800 69.227 1.573 1
1 1484 . 1 1 1 A 116 116 THR N N 116 104.900 105.759 -0.859 1
1 1485 . 1 1 1 A 117 117 ARG H H 117 6.840 7.397 -0.557 1
1 1486 . 1 1 1 A 117 117 ARG HA H 117 3.060 3.866 -0.806 1
1 1494 . 1 1 1 A 117 117 ARG C C 117 175.200 175.830 -0.630 1
1 1495 . 1 1 1 A 117 117 ARG CA C 117 55.900 56.449 -0.549 1
1 1496 . 1 1 1 A 117 117 ARG CB C 117 31.100 30.621 0.479 1
1 1500 . 1 1 1 A 117 117 ARG N N 117 120.900 122.570 -1.670 1
1 1502 . 1 1 1 A 118 118 LEU H H 118 8.380 8.448 -0.068 1
1 1503 . 1 1 1 A 118 118 LEU HA H 118 4.100 4.093 0.007 1
1 1513 . 1 1 1 A 118 118 LEU C C 118 176.500 176.619 -0.119 1
1 1514 . 1 1 1 A 118 118 LEU CA C 118 55.300 54.635 0.665 1
1 1515 . 1 1 1 A 118 118 LEU CB C 118 42.400 43.005 -0.605 1
1 1519 . 1 1 1 A 118 118 LEU N N 118 122.600 123.604 -1.004 1
1 1520 . 1 1 1 A 119 119 GLU H H 119 8.330 8.822 -0.492 1
1 1521 . 1 1 1 A 119 119 GLU HA H 119 4.160 3.802 0.358 1
1 1526 . 1 1 1 A 119 119 GLU C C 119 175.800 177.006 -1.206 1
1 1527 . 1 1 1 A 119 119 GLU CA C 119 56.000 57.187 -1.187 1
1 1528 . 1 1 1 A 119 119 GLU CB C 119 30.300 27.931 2.369 1
1 1530 . 1 1 1 A 119 119 GLU N N 119 124.000 118.513 5.487 1
1 1531 . 1 1 1 A 120 120 HIS H H 120 8.520 7.978 0.542 1
1 1532 . 1 1 1 A 120 120 HIS HA H 120 4.620 4.373 0.247 1
1 1535 . 1 1 1 A 120 120 HIS C C 120 174.000 174.907 -0.907 1
1 1536 . 1 1 1 A 120 120 HIS CA C 120 55.300 58.229 -2.929 1
1 1537 . 1 1 1 A 120 120 HIS CB C 120 29.300 29.806 -0.506 1
1 1538 . 1 1 1 A 120 120 HIS N N 120 120.100 117.119 2.981 1
1 1539 . 1 1 1 A 121 121 HIS H H 121 8.580 7.753 0.827 1
1 1540 . 1 1 1 A 121 121 HIS HA H 121 4.620 5.060 -0.440 1
1 1543 . 1 1 1 A 121 121 HIS C C 121 173.500 173.301 0.199 1
1 1544 . 1 1 1 A 121 121 HIS CA C 121 55.300 54.265 1.035 1
1 1545 . 1 1 1 A 121 121 HIS CB C 121 29.200 32.196 -2.996 1
1 1546 . 1 1 1 A 121 121 HIS N N 121 120.800 115.351 5.449 1
1 1547 . 1 1 1 A 122 122 HIS H H 122 8.400 8.978 -0.578 1
1 1548 . 1 1 1 A 122 122 HIS HA H 122 4.620 4.841 -0.221 1
1 1551 . 1 1 1 A 122 122 HIS CA C 122 55.300 55.732 -0.432 1
1 1552 . 1 1 1 A 122 122 HIS CB C 122 29.200 31.988 -2.788 1
1 1553 . 1 1 1 A 122 122 HIS N N 122 125.700 119.732 5.968 1
1 1554 . 1 1 1 A 123 123 HIS H H 123 8.690 8.037 0.653 1
1 1555 . 1 1 1 A 123 123 HIS HA H 123 4.640 4.745 -0.105 1
1 1558 . 1 1 1 A 123 123 HIS C C 123 174.100 174.556 -0.456 1
1 1559 . 1 1 1 A 123 123 HIS CA C 123 55.300 54.104 1.196 1
1 1560 . 1 1 1 A 123 123 HIS CB C 123 29.300 32.132 -2.832 1
1 1561 . 1 1 1 A 123 123 HIS N N 123 120.200 119.886 0.314 1
1 1562 . 1 1 1 A 124 124 HIS H H 124 8.710 8.680 0.030 1
1 1563 . 1 1 1 A 124 124 HIS HA H 124 4.640 4.276 0.364 1
1 1566 . 1 1 1 A 124 124 HIS C C 124 174.200 175.472 -1.272 1
1 1567 . 1 1 1 A 124 124 HIS CA C 124 55.300 58.547 -3.247 1
1 1568 . 1 1 1 A 124 124 HIS CB C 124 29.300 29.863 -0.563 1
1 14 . 2 1 1 A 2 2 ASN H H 2 8.500 9.082 -0.582 1
1 15 . 2 1 1 A 2 2 ASN HA H 2 4.990 5.015 -0.025 1
1 20 . 2 1 1 A 2 2 ASN C C 2 175.600 177.266 -1.666 1
1 21 . 2 1 1 A 2 2 ASN CA C 2 51.000 52.283 -1.283 1
1 22 . 2 1 1 A 2 2 ASN CB C 2 40.000 39.647 0.353 1
1 24 . 2 1 1 A 2 2 ASN N N 2 122.000 123.498 -1.498 1
1 26 . 2 1 1 A 3 3 ARG H H 3 8.950 9.009 -0.059 1
1 27 . 2 1 1 A 3 3 ARG HA H 3 3.850 4.013 -0.163 1
1 35 . 2 1 1 A 3 3 ARG C C 3 175.600 177.678 -2.078 1
1 36 . 2 1 1 A 3 3 ARG CA C 3 60.400 59.658 0.742 1
1 37 . 2 1 1 A 3 3 ARG CB C 3 30.900 29.931 0.969 1
1 41 . 2 1 1 A 3 3 ARG N N 3 117.600 123.553 -5.953 1
1 43 . 2 1 1 A 4 4 GLN H H 4 8.370 8.092 0.278 1
1 44 . 2 1 1 A 4 4 GLN HA H 4 3.900 4.150 -0.250 1
1 51 . 2 1 1 A 4 4 GLN C C 4 178.300 178.303 -0.003 1
1 52 . 2 1 1 A 4 4 GLN CA C 4 58.900 59.248 -0.348 1
1 53 . 2 1 1 A 4 4 GLN CB C 4 28.200 28.407 -0.207 1
1 56 . 2 1 1 A 4 4 GLN N N 4 120.700 118.605 2.095 1
1 58 . 2 1 1 A 5 5 GLN H H 5 8.670 8.131 0.539 1
1 59 . 2 1 1 A 5 5 GLN HA H 5 4.190 4.121 0.069 1
1 66 . 2 1 1 A 5 5 GLN C C 5 180.000 178.560 1.440 1
1 67 . 2 1 1 A 5 5 GLN CA C 5 58.500 59.029 -0.529 1
1 68 . 2 1 1 A 5 5 GLN CB C 5 28.900 28.325 0.575 1
1 71 . 2 1 1 A 5 5 GLN N N 5 117.700 118.546 -0.846 1
1 73 . 2 1 1 A 6 6 PHE H H 6 8.270 8.027 0.243 1
1 74 . 2 1 1 A 6 6 PHE HA H 6 4.130 4.239 -0.109 1
1 82 . 2 1 1 A 6 6 PHE C C 6 175.500 177.304 -1.804 1
1 83 . 2 1 1 A 6 6 PHE CA C 6 62.700 61.294 1.406 1
1 84 . 2 1 1 A 6 6 PHE CB C 6 39.000 39.267 -0.267 1
1 90 . 2 1 1 A 6 6 PHE N N 6 121.200 120.528 0.672 1
1 91 . 2 1 1 A 7 7 ILE H H 7 8.390 8.168 0.222 1
1 92 . 2 1 1 A 7 7 ILE HA H 7 3.280 3.469 -0.189 1
1 102 . 2 1 1 A 7 7 ILE C C 7 178.900 177.519 1.381 1
1 103 . 2 1 1 A 7 7 ILE CA C 7 66.400 65.345 1.055 1
1 104 . 2 1 1 A 7 7 ILE CB C 7 38.500 37.962 0.538 1
1 108 . 2 1 1 A 7 7 ILE N N 7 121.000 121.032 -0.032 1
1 109 . 2 1 1 A 8 8 ASP H H 8 8.710 8.416 0.294 1
1 110 . 2 1 1 A 8 8 ASP HA H 8 4.370 4.299 0.071 1
1 113 . 2 1 1 A 8 8 ASP C C 8 178.000 178.260 -0.260 1
1 114 . 2 1 1 A 8 8 ASP CA C 8 57.300 57.330 -0.030 1
1 115 . 2 1 1 A 8 8 ASP CB C 8 40.600 39.733 0.867 1
1 116 . 2 1 1 A 8 8 ASP N N 8 119.800 119.853 -0.053 1
1 117 . 2 1 1 A 9 9 TYR H H 9 8.060 8.697 -0.637 1
1 118 . 2 1 1 A 9 9 TYR HA H 9 4.000 4.125 -0.125 1
1 125 . 2 1 1 A 9 9 TYR C C 9 176.500 177.748 -1.248 1
1 126 . 2 1 1 A 9 9 TYR CA C 9 61.700 61.923 -0.223 1
1 127 . 2 1 1 A 9 9 TYR CB C 9 38.600 38.615 -0.015 1
1 132 . 2 1 1 A 9 9 TYR N N 9 121.600 122.738 -1.138 1
1 133 . 2 1 1 A 10 10 ALA H H 10 8.340 8.056 0.284 1
1 134 . 2 1 1 A 10 10 ALA HA H 10 3.730 3.991 -0.261 1
1 138 . 2 1 1 A 10 10 ALA C C 10 180.200 179.369 0.831 1
1 139 . 2 1 1 A 10 10 ALA CA C 10 55.200 54.752 0.448 1
1 140 . 2 1 1 A 10 10 ALA CB C 10 17.300 18.020 -0.720 1
1 141 . 2 1 1 A 10 10 ALA N N 10 120.700 121.889 -1.189 1
1 142 . 2 1 1 A 11 11 GLN H H 11 7.830 7.683 0.147 1
1 143 . 2 1 1 A 11 11 GLN HA H 11 4.130 3.982 0.148 1
1 150 . 2 1 1 A 11 11 GLN C C 11 178.300 178.469 -0.169 1
1 151 . 2 1 1 A 11 11 GLN CA C 11 59.200 58.810 0.390 1
1 152 . 2 1 1 A 11 11 GLN CB C 11 28.600 28.493 0.107 1
1 155 . 2 1 1 A 11 11 GLN N N 11 116.600 117.991 -1.391 1
1 157 . 2 1 1 A 12 12 LYS H H 12 8.040 7.468 0.572 1
1 158 . 2 1 1 A 12 12 LYS HA H 12 3.890 3.957 -0.067 1
1 167 . 2 1 1 A 12 12 LYS C C 12 178.200 178.181 0.019 1
1 168 . 2 1 1 A 12 12 LYS CA C 12 58.800 59.213 -0.413 1
1 169 . 2 1 1 A 12 12 LYS CB C 12 32.700 32.109 0.591 1
1 173 . 2 1 1 A 12 12 LYS N N 12 119.300 119.294 0.006 1
1 174 . 2 1 1 A 13 13 LYS H H 13 8.440 7.489 0.951 1
1 175 . 2 1 1 A 13 13 LYS HA H 13 3.610 3.706 -0.096 1
1 184 . 2 1 1 A 13 13 LYS C C 13 177.600 176.137 1.463 1
1 185 . 2 1 1 A 13 13 LYS CA C 13 56.900 57.128 -0.228 1
1 186 . 2 1 1 A 13 13 LYS CB C 13 32.000 32.054 -0.054 1
1 190 . 2 1 1 A 13 13 LYS N N 13 117.700 115.791 1.909 1
1 191 . 2 1 1 A 14 14 TYR H H 14 6.780 7.717 -0.937 1
1 192 . 2 1 1 A 14 14 TYR HA H 14 4.530 4.562 -0.032 1
1 199 . 2 1 1 A 14 14 TYR C C 14 175.800 174.665 1.135 1
1 200 . 2 1 1 A 14 14 TYR CA C 14 56.600 57.829 -1.229 1
1 201 . 2 1 1 A 14 14 TYR CB C 14 39.500 40.426 -0.926 1
1 206 . 2 1 1 A 14 14 TYR N N 14 113.100 116.778 -3.678 1
1 207 . 2 1 1 A 15 15 ASP H H 15 7.620 8.551 -0.931 1
1 208 . 2 1 1 A 15 15 ASP HA H 15 4.810 4.414 0.396 1
1 211 . 2 1 1 A 15 15 ASP C C 15 175.200 174.120 1.080 1
1 212 . 2 1 1 A 15 15 ASP CA C 15 55.100 55.472 -0.372 1
1 213 . 2 1 1 A 15 15 ASP CB C 15 39.300 39.288 0.012 1
1 214 . 2 1 1 A 15 15 ASP N N 15 119.600 117.567 2.033 1
1 215 . 2 1 1 A 16 16 THR H H 16 7.560 7.862 -0.302 1
1 216 . 2 1 1 A 16 16 THR HA H 16 4.650 4.801 -0.151 1
1 222 . 2 1 1 A 16 16 THR C C 16 173.200 174.477 -1.277 1
1 223 . 2 1 1 A 16 16 THR CA C 16 61.500 61.269 0.231 1
1 224 . 2 1 1 A 16 16 THR CB C 16 71.000 71.167 -0.167 1
1 226 . 2 1 1 A 16 16 THR N N 16 113.100 112.488 0.612 1
1 227 . 2 1 1 A 17 17 LYS H H 17 8.830 8.390 0.440 1
1 228 . 2 1 1 A 17 17 LYS HA H 17 4.690 4.804 -0.114 1
1 235 . 2 1 1 A 17 17 LYS C C 17 173.200 175.270 -2.070 1
1 236 . 2 1 1 A 17 17 LYS CA C 17 53.600 54.598 -0.998 1
1 237 . 2 1 1 A 17 17 LYS CB C 17 32.800 32.977 -0.177 1
1 241 . 2 1 1 A 17 17 LYS N N 17 127.200 124.661 2.539 1
1 242 . 2 1 1 A 18 18 PRO HA H 18 3.540 4.203 -0.663 1
1 249 . 2 1 1 A 18 18 PRO C C 18 175.800 175.547 0.253 1
1 250 . 2 1 1 A 18 18 PRO CA C 18 62.000 62.774 -0.774 1
1 251 . 2 1 1 A 18 18 PRO CB C 18 32.200 32.561 -0.361 1
1 254 . 2 1 1 A 19 19 ASP H H 19 8.310 7.985 0.325 1
1 255 . 2 1 1 A 19 19 ASP HA H 19 4.740 5.101 -0.361 1
1 258 . 2 1 1 A 19 19 ASP C C 19 175.100 174.348 0.752 1
1 259 . 2 1 1 A 19 19 ASP CA C 19 52.300 52.412 -0.112 1
1 260 . 2 1 1 A 19 19 ASP CB C 19 43.700 44.350 -0.650 1
1 261 . 2 1 1 A 19 19 ASP N N 19 120.300 119.982 0.318 1
1 262 . 2 1 1 A 20 20 HIS H H 20 8.620 8.351 0.269 1
1 263 . 2 1 1 A 20 20 HIS HA H 20 5.170 5.072 0.098 1
1 266 . 2 1 1 A 20 20 HIS CA C 20 53.200 52.403 0.797 1
1 267 . 2 1 1 A 20 20 HIS CB C 20 28.800 29.758 -0.958 1
1 268 . 2 1 1 A 20 20 HIS N N 20 118.800 118.576 0.224 1
1 269 . 2 1 1 A 21 21 PRO HA H 21 4.190 4.085 0.105 1
1 276 . 2 1 1 A 21 21 PRO C C 21 176.600 176.291 0.309 1
1 277 . 2 1 1 A 21 21 PRO CA C 21 63.900 64.892 -0.992 1
1 278 . 2 1 1 A 21 21 PRO CB C 21 32.100 31.164 0.936 1
1 281 . 2 1 1 A 22 22 TRP H H 22 8.340 7.554 0.786 1
1 282 . 2 1 1 A 22 22 TRP HA H 22 5.000 4.805 0.195 1
1 291 . 2 1 1 A 22 22 TRP C C 22 174.200 177.527 -3.327 1
1 292 . 2 1 1 A 22 22 TRP CA C 22 57.100 57.073 0.027 1
1 293 . 2 1 1 A 22 22 TRP CB C 22 29.400 29.304 0.096 1
1 299 . 2 1 1 A 22 22 TRP N N 22 118.700 118.246 0.454 1
1 301 . 2 1 1 A 23 23 GLU H H 23 9.030 8.823 0.207 1
1 302 . 2 1 1 A 23 23 GLU HA H 23 4.000 4.259 -0.259 1
1 307 . 2 1 1 A 23 23 GLU C C 23 177.900 178.038 -0.138 1
1 308 . 2 1 1 A 23 23 GLU CA C 23 59.100 59.340 -0.240 1
1 309 . 2 1 1 A 23 23 GLU CB C 23 29.200 29.256 -0.056 1
1 311 . 2 1 1 A 23 23 GLU N N 23 128.400 124.260 4.140 1
1 312 . 2 1 1 A 24 24 LYS H H 24 8.500 8.014 0.486 1
1 313 . 2 1 1 A 24 24 LYS HA H 24 3.890 4.066 -0.176 1
1 322 . 2 1 1 A 24 24 LYS C C 24 175.300 176.287 -0.987 1
1 323 . 2 1 1 A 24 24 LYS CA C 24 57.100 58.261 -1.161 1
1 324 . 2 1 1 A 24 24 LYS CB C 24 32.300 31.850 0.450 1
1 328 . 2 1 1 A 24 24 LYS N N 24 115.100 117.753 -2.653 1
1 329 . 2 1 1 A 25 25 PHE H H 25 7.010 7.774 -0.764 1
1 330 . 2 1 1 A 25 25 PHE HA H 25 4.740 5.161 -0.421 1
1 338 . 2 1 1 A 25 25 PHE C C 25 175.300 174.615 0.685 1
1 339 . 2 1 1 A 25 25 PHE CA C 25 54.300 54.858 -0.558 1
1 340 . 2 1 1 A 25 25 PHE CB C 25 39.200 38.831 0.369 1
1 346 . 2 1 1 A 25 25 PHE N N 25 115.100 117.528 -2.428 1
1 347 . 2 1 1 A 26 26 PRO HA H 26 4.380 4.622 -0.242 1
1 354 . 2 1 1 A 26 26 PRO C C 26 176.900 177.093 -0.193 1
1 355 . 2 1 1 A 26 26 PRO CA C 26 64.900 64.952 -0.052 1
1 356 . 2 1 1 A 26 26 PRO CB C 26 32.200 31.841 0.359 1
1 359 . 2 1 1 A 27 27 ASP H H 27 8.860 8.851 0.009 1
1 360 . 2 1 1 A 27 27 ASP HA H 27 4.810 4.590 0.220 1
1 363 . 2 1 1 A 27 27 ASP C C 27 177.200 175.568 1.632 1
1 364 . 2 1 1 A 27 27 ASP CA C 27 53.900 55.225 -1.325 1
1 365 . 2 1 1 A 27 27 ASP CB C 27 39.900 41.238 -1.338 1
1 366 . 2 1 1 A 27 27 ASP N N 27 114.400 118.135 -3.735 1
1 367 . 2 1 1 A 28 28 TYR H H 28 8.300 7.847 0.453 1
1 368 . 2 1 1 A 28 28 TYR HA H 28 5.500 5.204 0.296 1
1 375 . 2 1 1 A 28 28 TYR C C 28 175.900 175.541 0.359 1
1 376 . 2 1 1 A 28 28 TYR CA C 28 55.600 56.872 -1.272 1
1 377 . 2 1 1 A 28 28 TYR CB C 28 36.400 40.993 -4.593 1
1 382 . 2 1 1 A 28 28 TYR N N 28 123.700 118.949 4.751 1
1 383 . 2 1 1 A 29 29 ALA H H 29 9.240 8.782 0.458 1
1 384 . 2 1 1 A 29 29 ALA HA H 29 5.030 5.152 -0.122 1
1 388 . 2 1 1 A 29 29 ALA C C 29 174.600 175.588 -0.988 1
1 389 . 2 1 1 A 29 29 ALA CA C 29 49.700 50.742 -1.042 1
1 390 . 2 1 1 A 29 29 ALA CB C 29 22.800 23.252 -0.452 1
1 391 . 2 1 1 A 29 29 ALA N N 29 126.000 123.456 2.544 1
1 392 . 2 1 1 A 30 30 VAL H H 30 8.530 8.665 -0.135 1
1 393 . 2 1 1 A 30 30 VAL HA H 30 4.250 4.641 -0.391 1
1 401 . 2 1 1 A 30 30 VAL C C 30 173.400 174.637 -1.237 1
1 402 . 2 1 1 A 30 30 VAL CA C 30 60.300 61.038 -0.738 1
1 403 . 2 1 1 A 30 30 VAL CB C 30 34.100 34.250 -0.150 1
1 406 . 2 1 1 A 30 30 VAL N N 30 119.700 119.906 -0.206 1
1 407 . 2 1 1 A 31 31 PHE H H 31 8.040 9.358 -1.318 1
1 408 . 2 1 1 A 31 31 PHE HA H 31 4.250 5.099 -0.849 1
1 416 . 2 1 1 A 31 31 PHE C C 31 173.200 174.714 -1.514 1
1 417 . 2 1 1 A 31 31 PHE CA C 31 56.700 56.256 0.444 1
1 418 . 2 1 1 A 31 31 PHE CB C 31 38.500 40.624 -2.124 1
1 424 . 2 1 1 A 31 31 PHE N N 31 124.100 126.030 -1.930 1
1 425 . 2 1 1 A 32 32 ARG H H 32 8.720 8.728 -0.008 1
1 426 . 2 1 1 A 32 32 ARG HA H 32 5.320 3.953 1.367 1
1 434 . 2 1 1 A 32 32 ARG C C 32 176.400 174.477 1.923 1
1 435 . 2 1 1 A 32 32 ARG CA C 32 53.400 54.008 -0.608 1
1 436 . 2 1 1 A 32 32 ARG CB C 32 34.200 33.543 0.657 1
1 440 . 2 1 1 A 32 32 ARG N N 32 122.300 120.769 1.531 1
1 442 . 2 1 1 A 33 33 HIS H H 33 8.560 8.799 -0.239 1
1 443 . 2 1 1 A 33 33 HIS HA H 33 4.710 4.835 -0.125 1
1 446 . 2 1 1 A 33 33 HIS C C 33 176.400 175.992 0.408 1
1 447 . 2 1 1 A 33 33 HIS CA C 33 56.500 56.203 0.297 1
1 448 . 2 1 1 A 33 33 HIS CB C 33 28.900 30.601 -1.701 1
1 449 . 2 1 1 A 33 33 HIS N N 33 119.800 121.103 -1.303 1
1 450 . 2 1 1 A 34 34 SER H H 34 9.160 9.199 -0.039 1
1 451 . 2 1 1 A 34 34 SER HA H 34 4.390 4.086 0.304 1
1 454 . 2 1 1 A 34 34 SER C C 34 174.900 175.852 -0.952 1
1 455 . 2 1 1 A 34 34 SER CA C 34 60.400 62.080 -1.680 1
1 456 . 2 1 1 A 34 34 SER CB C 34 63.200 63.082 0.118 1
1 457 . 2 1 1 A 34 34 SER N N 34 118.700 119.794 -1.094 1
1 458 . 2 1 1 A 35 35 ASP H H 35 8.660 8.184 0.476 1
1 459 . 2 1 1 A 35 35 ASP HA H 35 4.570 4.687 -0.117 1
1 462 . 2 1 1 A 35 35 ASP C C 35 177.000 177.464 -0.464 1
1 463 . 2 1 1 A 35 35 ASP CA C 35 54.300 56.087 -1.787 1
1 464 . 2 1 1 A 35 35 ASP CB C 35 39.700 41.763 -2.063 1
1 465 . 2 1 1 A 35 35 ASP N N 35 118.200 120.297 -2.097 1
1 466 . 2 1 1 A 36 36 ASN H H 36 7.900 7.786 0.114 1
1 467 . 2 1 1 A 36 36 ASN HA H 36 4.660 5.048 -0.388 1
1 472 . 2 1 1 A 36 36 ASN C C 36 175.100 174.685 0.415 1
1 473 . 2 1 1 A 36 36 ASN CA C 36 52.000 52.779 -0.779 1
1 474 . 2 1 1 A 36 36 ASN CB C 36 38.900 38.950 -0.050 1
1 476 . 2 1 1 A 36 36 ASN N N 36 116.200 114.551 1.649 1
1 478 . 2 1 1 A 37 37 ASP H H 37 7.890 7.922 -0.032 1
1 479 . 2 1 1 A 37 37 ASP HA H 37 4.670 4.759 -0.089 1
1 482 . 2 1 1 A 37 37 ASP C C 37 175.800 175.599 0.201 1
1 483 . 2 1 1 A 37 37 ASP CA C 37 55.800 54.320 1.480 1
1 484 . 2 1 1 A 37 37 ASP CB C 37 40.500 39.932 0.568 1
1 485 . 2 1 1 A 37 37 ASP N N 37 115.300 119.601 -4.301 1
1 486 . 2 1 1 A 38 38 LYS H H 38 8.310 8.637 -0.327 1
1 487 . 2 1 1 A 38 38 LYS HA H 38 4.390 4.618 -0.228 1
1 496 . 2 1 1 A 38 38 LYS C C 38 175.300 175.945 -0.645 1
1 497 . 2 1 1 A 38 38 LYS CA C 38 56.700 56.598 0.102 1
1 498 . 2 1 1 A 38 38 LYS CB C 38 32.500 35.651 -3.151 1
1 502 . 2 1 1 A 38 38 LYS N N 38 119.300 122.640 -3.340 1
1 503 . 2 1 1 A 39 39 TRP HA H 39 5.000 4.975 0.025 1
1 512 . 2 1 1 A 39 39 TRP C C 39 176.100 174.896 1.204 1
1 513 . 2 1 1 A 39 39 TRP CA C 39 55.700 55.111 0.589 1
1 514 . 2 1 1 A 39 39 TRP CB C 39 30.300 31.412 -1.112 1
1 521 . 2 1 1 A 40 40 TYR H H 40 9.270 9.255 0.015 1
1 522 . 2 1 1 A 40 40 TYR HA H 40 5.280 4.733 0.547 1
1 525 . 2 1 1 A 40 40 TYR C C 40 175.400 174.730 0.670 1
1 526 . 2 1 1 A 40 40 TYR CA C 40 55.700 55.811 -0.111 1
1 527 . 2 1 1 A 40 40 TYR CB C 40 40.300 40.240 0.060 1
1 528 . 2 1 1 A 40 40 TYR N N 40 114.000 121.590 -7.590 1
1 529 . 2 1 1 A 41 41 ALA H H 41 7.760 7.874 -0.114 1
1 530 . 2 1 1 A 41 41 ALA HA H 41 5.580 5.177 0.403 1
1 534 . 2 1 1 A 41 41 ALA C C 41 177.300 176.129 1.171 1
1 535 . 2 1 1 A 41 41 ALA CA C 41 52.900 51.425 1.475 1
1 536 . 2 1 1 A 41 41 ALA CB C 41 21.900 21.735 0.165 1
1 537 . 2 1 1 A 41 41 ALA N N 41 121.500 122.817 -1.317 1
1 538 . 2 1 1 A 42 42 LEU H H 42 8.300 8.888 -0.588 1
1 539 . 2 1 1 A 42 42 LEU HA H 42 5.200 5.525 -0.325 1
1 549 . 2 1 1 A 42 42 LEU C C 42 173.300 174.725 -1.425 1
1 550 . 2 1 1 A 42 42 LEU CA C 42 54.100 52.559 1.541 1
1 551 . 2 1 1 A 42 42 LEU CB C 42 45.900 45.761 0.139 1
1 555 . 2 1 1 A 42 42 LEU N N 42 123.700 120.385 3.315 1
1 556 . 2 1 1 A 43 43 LEU H H 43 9.700 9.069 0.631 1
1 557 . 2 1 1 A 43 43 LEU HA H 43 5.250 5.220 0.030 1
1 567 . 2 1 1 A 43 43 LEU C C 43 173.300 175.287 -1.987 1
1 568 . 2 1 1 A 43 43 LEU CA C 43 54.000 53.441 0.559 1
1 569 . 2 1 1 A 43 43 LEU CB C 43 46.000 45.071 0.929 1
1 573 . 2 1 1 A 43 43 LEU N N 43 130.400 122.305 8.095 1
1 574 . 2 1 1 A 44 44 MET H H 44 8.800 8.455 0.345 1
1 575 . 2 1 1 A 44 44 MET HA H 44 4.420 4.799 -0.379 1
1 583 . 2 1 1 A 44 44 MET C C 44 172.500 173.164 -0.664 1
1 584 . 2 1 1 A 44 44 MET CA C 44 55.000 53.687 1.313 1
1 585 . 2 1 1 A 44 44 MET CB C 44 39.100 35.117 3.983 1
1 588 . 2 1 1 A 44 44 MET N N 44 122.800 122.501 0.299 1
1 589 . 2 1 1 A 45 45 ASP H H 45 7.960 8.355 -0.395 1
1 590 . 2 1 1 A 45 45 ASP HA H 45 5.490 5.506 -0.016 1
1 593 . 2 1 1 A 45 45 ASP C C 45 175.200 175.735 -0.535 1
1 594 . 2 1 1 A 45 45 ASP CA C 45 51.900 53.208 -1.308 1
1 595 . 2 1 1 A 45 45 ASP CB C 45 40.800 42.827 -2.027 1
1 596 . 2 1 1 A 45 45 ASP N N 45 119.400 118.929 0.471 1
1 597 . 2 1 1 A 46 46 ILE H H 46 8.800 8.474 0.326 1
1 598 . 2 1 1 A 46 46 ILE HA H 46 4.870 4.789 0.081 1
1 608 . 2 1 1 A 46 46 ILE CA C 46 57.700 57.275 0.425 1
1 609 . 2 1 1 A 46 46 ILE CB C 46 40.100 40.847 -0.747 1
1 613 . 2 1 1 A 46 46 ILE N N 46 117.400 118.253 -0.853 1
1 614 . 2 1 1 A 47 47 PRO HA H 47 4.420 4.482 -0.062 1
1 621 . 2 1 1 A 47 47 PRO C C 47 177.800 177.469 0.331 1
1 622 . 2 1 1 A 47 47 PRO CA C 47 63.000 62.963 0.037 1
1 623 . 2 1 1 A 47 47 PRO CB C 47 31.900 32.530 -0.630 1
1 626 . 2 1 1 A 48 48 ALA H H 48 8.550 8.821 -0.271 1
1 627 . 2 1 1 A 48 48 ALA HA H 48 3.550 4.006 -0.456 1
1 631 . 2 1 1 A 48 48 ALA C C 48 179.200 178.898 0.302 1
1 632 . 2 1 1 A 48 48 ALA CA C 48 55.200 54.774 0.426 1
1 633 . 2 1 1 A 48 48 ALA CB C 48 17.700 18.293 -0.593 1
1 634 . 2 1 1 A 48 48 ALA N N 48 130.100 126.949 3.151 1
1 635 . 2 1 1 A 49 49 GLU H H 49 8.700 8.412 0.288 1
1 636 . 2 1 1 A 49 49 GLU HA H 49 4.180 4.378 -0.198 1
1 641 . 2 1 1 A 49 49 GLU C C 49 179.800 177.215 2.585 1
1 642 . 2 1 1 A 49 49 GLU CA C 49 58.200 57.912 0.288 1
1 643 . 2 1 1 A 49 49 GLU CB C 49 28.200 28.271 -0.071 1
1 645 . 2 1 1 A 49 49 GLU N N 49 114.900 115.562 -0.662 1
1 646 . 2 1 1 A 50 50 LYS H H 50 7.910 7.730 0.180 1
1 647 . 2 1 1 A 50 50 LYS HA H 50 4.060 4.190 -0.130 1
1 656 . 2 1 1 A 50 50 LYS C C 50 178.100 177.777 0.323 1
1 657 . 2 1 1 A 50 50 LYS CA C 50 56.900 57.400 -0.500 1
1 658 . 2 1 1 A 50 50 LYS CB C 50 31.700 32.235 -0.535 1
1 662 . 2 1 1 A 50 50 LYS N N 50 118.100 118.028 0.072 1
1 663 . 2 1 1 A 51 51 ILE H H 51 7.190 7.501 -0.311 1
1 664 . 2 1 1 A 51 51 ILE HA H 51 4.490 4.292 0.198 1
1 674 . 2 1 1 A 51 51 ILE C C 51 175.300 176.506 -1.206 1
1 675 . 2 1 1 A 51 51 ILE CA C 51 60.100 60.114 -0.014 1
1 676 . 2 1 1 A 51 51 ILE CB C 51 37.400 37.564 -0.164 1
1 680 . 2 1 1 A 51 51 ILE N N 51 109.000 112.802 -3.802 1
1 681 . 2 1 1 A 52 52 GLY H H 52 7.370 7.910 -0.540 1
1 682 . 2 1 1 A 52 52 GLY HA2 H 52 4.050 3.909 0.141 1
1 683 . 2 1 1 A 52 52 GLY HA3 H 52 3.730 3.933 -0.203 1
1 684 . 2 1 1 A 52 52 GLY C C 52 174.200 173.973 0.227 1
1 685 . 2 1 1 A 52 52 GLY CA C 52 46.100 44.876 1.224 1
1 686 . 2 1 1 A 52 52 GLY N N 52 106.900 110.534 -3.634 1
1 687 . 2 1 1 A 53 53 ILE H H 53 7.260 6.968 0.292 1
1 688 . 2 1 1 A 53 53 ILE HA H 53 4.040 4.009 0.031 1
1 698 . 2 1 1 A 53 53 ILE C C 53 174.700 175.286 -0.586 1
1 699 . 2 1 1 A 53 53 ILE CA C 53 60.500 60.334 0.166 1
1 700 . 2 1 1 A 53 53 ILE CB C 53 38.700 37.137 1.563 1
1 704 . 2 1 1 A 53 53 ILE N N 53 121.900 122.888 -0.988 1
1 705 . 2 1 1 A 54 54 ASN H H 54 8.280 8.528 -0.248 1
1 706 . 2 1 1 A 54 54 ASN HA H 54 4.540 4.927 -0.387 1
1 711 . 2 1 1 A 54 54 ASN C C 54 175.400 174.751 0.649 1
1 712 . 2 1 1 A 54 54 ASN CA C 54 53.700 53.509 0.191 1
1 713 . 2 1 1 A 54 54 ASN CB C 54 39.000 37.126 1.874 1
1 715 . 2 1 1 A 54 54 ASN N N 54 123.300 126.555 -3.255 1
1 717 . 2 1 1 A 55 55 GLY H H 55 8.240 8.009 0.231 1
1 718 . 2 1 1 A 55 55 GLY HA2 H 55 4.230 4.136 0.094 1
1 719 . 2 1 1 A 55 55 GLY HA3 H 55 3.740 4.141 -0.401 1
1 720 . 2 1 1 A 55 55 GLY C C 55 173.200 173.294 -0.094 1
1 721 . 2 1 1 A 55 55 GLY CA C 55 44.800 45.893 -1.093 1
1 722 . 2 1 1 A 55 55 GLY N N 55 110.200 110.574 -0.374 1
1 723 . 2 1 1 A 56 56 ASP H H 56 8.320 8.541 -0.221 1
1 724 . 2 1 1 A 56 56 ASP HA H 56 4.700 4.806 -0.106 1
1 727 . 2 1 1 A 56 56 ASP C C 56 175.800 175.953 -0.153 1
1 728 . 2 1 1 A 56 56 ASP CA C 56 53.400 54.194 -0.794 1
1 729 . 2 1 1 A 56 56 ASP CB C 56 40.500 41.178 -0.678 1
1 730 . 2 1 1 A 56 56 ASP N N 56 119.000 121.245 -2.245 1
1 731 . 2 1 1 A 57 57 LYS H H 57 7.780 7.280 0.500 1
1 732 . 2 1 1 A 57 57 LYS HA H 57 4.400 4.377 0.023 1
1 741 . 2 1 1 A 57 57 LYS C C 57 175.700 176.071 -0.371 1
1 742 . 2 1 1 A 57 57 LYS CA C 57 55.600 56.331 -0.731 1
1 743 . 2 1 1 A 57 57 LYS CB C 57 33.700 32.921 0.779 1
1 747 . 2 1 1 A 57 57 LYS N N 57 119.500 118.550 0.950 1
1 748 . 2 1 1 A 58 58 ARG H H 58 8.410 8.772 -0.362 1
1 749 . 2 1 1 A 58 58 ARG HA H 58 4.740 4.621 0.119 1
1 757 . 2 1 1 A 58 58 ARG C C 58 176.200 176.100 0.100 1
1 758 . 2 1 1 A 58 58 ARG CA C 58 55.300 56.634 -1.334 1
1 759 . 2 1 1 A 58 58 ARG CB C 58 31.700 30.917 0.783 1
1 763 . 2 1 1 A 58 58 ARG N N 58 120.900 123.713 -2.813 1
1 765 . 2 1 1 A 59 59 VAL H H 59 9.030 8.521 0.509 1
1 766 . 2 1 1 A 59 59 VAL HA H 59 4.570 4.888 -0.318 1
1 774 . 2 1 1 A 59 59 VAL C C 59 173.900 173.238 0.662 1
1 775 . 2 1 1 A 59 59 VAL CA C 59 58.700 58.526 0.174 1
1 776 . 2 1 1 A 59 59 VAL CB C 59 34.700 35.694 -0.994 1
1 779 . 2 1 1 A 59 59 VAL N N 59 115.600 119.366 -3.766 1
1 780 . 2 1 1 A 60 60 ASP H H 60 8.290 8.924 -0.634 1
1 781 . 2 1 1 A 60 60 ASP HA H 60 5.560 5.396 0.164 1
1 784 . 2 1 1 A 60 60 ASP C C 60 175.800 175.587 0.213 1
1 785 . 2 1 1 A 60 60 ASP CA C 60 53.600 53.162 0.438 1
1 786 . 2 1 1 A 60 60 ASP CB C 60 43.100 43.475 -0.375 1
1 787 . 2 1 1 A 60 60 ASP N N 60 120.700 123.055 -2.355 1
1 788 . 2 1 1 A 61 61 VAL H H 61 9.080 8.616 0.464 1
1 789 . 2 1 1 A 61 61 VAL HA H 61 5.150 5.283 -0.133 1
1 797 . 2 1 1 A 61 61 VAL C C 61 173.800 174.339 -0.539 1
1 798 . 2 1 1 A 61 61 VAL CA C 61 57.600 59.169 -1.569 1
1 799 . 2 1 1 A 61 61 VAL CB C 61 35.500 35.886 -0.386 1
1 802 . 2 1 1 A 61 61 VAL N N 61 115.200 118.199 -2.999 1
1 803 . 2 1 1 A 62 62 ILE H H 62 8.530 8.424 0.106 1
1 804 . 2 1 1 A 62 62 ILE HA H 62 5.550 5.144 0.406 1
1 814 . 2 1 1 A 62 62 ILE CA C 62 57.800 58.866 -1.066 1
1 815 . 2 1 1 A 62 62 ILE CB C 62 41.700 42.208 -0.508 1
1 819 . 2 1 1 A 62 62 ILE N N 62 112.000 117.579 -5.579 1
1 820 . 2 1 1 A 64 64 LEU HA H 64 4.960 5.196 -0.236 1
1 830 . 2 1 1 A 64 64 LEU C C 64 173.100 175.128 -2.028 1
1 831 . 2 1 1 A 64 64 LEU CA C 64 53.500 53.208 0.292 1
1 832 . 2 1 1 A 64 64 LEU CB C 64 47.000 46.196 0.804 1
1 836 . 2 1 1 A 65 65 LYS H H 65 8.470 8.802 -0.332 1
1 837 . 2 1 1 A 65 65 LYS HA H 65 3.760 5.317 -1.557 1
1 846 . 2 1 1 A 65 65 LYS C C 65 175.100 176.347 -1.247 1
1 847 . 2 1 1 A 65 65 LYS CA C 65 55.700 56.018 -0.318 1
1 848 . 2 1 1 A 65 65 LYS CB C 65 33.600 33.796 -0.196 1
1 852 . 2 1 1 A 65 65 LYS N N 65 126.700 121.917 4.783 1
1 853 . 2 1 1 A 66 66 VAL H H 66 7.840 8.694 -0.854 1
1 854 . 2 1 1 A 66 66 VAL HA H 66 4.410 4.898 -0.488 1
1 862 . 2 1 1 A 66 66 VAL C C 66 175.300 174.725 0.575 1
1 863 . 2 1 1 A 66 66 VAL CA C 66 58.300 58.941 -0.641 1
1 864 . 2 1 1 A 66 66 VAL CB C 66 36.400 36.121 0.279 1
1 867 . 2 1 1 A 66 66 VAL N N 66 116.000 119.141 -3.141 1
1 868 . 2 1 1 A 67 67 GLN H H 67 8.620 8.482 0.138 1
1 869 . 2 1 1 A 67 67 GLN HA H 67 4.350 4.490 -0.140 1
1 876 . 2 1 1 A 67 67 GLN CA C 67 54.900 54.109 0.791 1
1 877 . 2 1 1 A 67 67 GLN CB C 67 27.600 28.130 -0.530 1
1 880 . 2 1 1 A 67 67 GLN N N 67 123.000 121.022 1.978 1
1 882 . 2 1 1 A 68 68 PRO HA H 68 4.200 4.275 -0.075 1
1 889 . 2 1 1 A 68 68 PRO C C 68 179.400 177.600 1.800 1
1 890 . 2 1 1 A 68 68 PRO CA C 68 65.100 64.504 0.596 1
1 891 . 2 1 1 A 68 68 PRO CB C 68 31.700 31.873 -0.173 1
1 894 . 2 1 1 A 69 69 GLU H H 69 9.620 8.373 1.247 1
1 895 . 2 1 1 A 69 69 GLU HA H 69 4.190 4.166 0.024 1
1 900 . 2 1 1 A 69 69 GLU C C 69 177.100 177.884 -0.784 1
1 901 . 2 1 1 A 69 69 GLU CA C 69 58.600 58.115 0.485 1
1 902 . 2 1 1 A 69 69 GLU CB C 69 28.100 29.720 -1.620 1
1 904 . 2 1 1 A 69 69 GLU N N 69 116.900 116.741 0.159 1
1 905 . 2 1 1 A 70 70 LEU H H 70 7.940 7.700 0.240 1
1 906 . 2 1 1 A 70 70 LEU HA H 70 4.460 4.429 0.031 1
1 916 . 2 1 1 A 70 70 LEU C C 70 177.600 177.438 0.162 1
1 917 . 2 1 1 A 70 70 LEU CA C 70 54.500 54.635 -0.135 1
1 918 . 2 1 1 A 70 70 LEU CB C 70 42.800 41.746 1.054 1
1 922 . 2 1 1 A 70 70 LEU N N 70 118.700 117.967 0.733 1
1 923 . 2 1 1 A 71 71 VAL H H 71 7.080 7.725 -0.645 1
1 924 . 2 1 1 A 71 71 VAL HA H 71 3.210 3.781 -0.571 1
1 932 . 2 1 1 A 71 71 VAL C C 71 176.800 178.024 -1.224 1
1 933 . 2 1 1 A 71 71 VAL CA C 71 67.700 65.977 1.723 1
1 934 . 2 1 1 A 71 71 VAL CB C 71 32.000 30.965 1.035 1
1 937 . 2 1 1 A 71 71 VAL N N 71 120.300 120.557 -0.257 1
1 938 . 2 1 1 A 72 72 GLY H H 72 8.540 8.486 0.054 1
1 939 . 2 1 1 A 72 72 GLY HA2 H 72 3.770 3.818 -0.048 1
1 940 . 2 1 1 A 72 72 GLY HA3 H 72 3.630 3.821 -0.191 1
1 941 . 2 1 1 A 72 72 GLY C C 72 176.300 176.075 0.225 1
1 942 . 2 1 1 A 72 72 GLY CA C 72 47.000 46.679 0.321 1
1 943 . 2 1 1 A 72 72 GLY N N 72 105.300 109.138 -3.838 1
1 944 . 2 1 1 A 73 73 SER H H 73 7.870 8.108 -0.238 1
1 945 . 2 1 1 A 73 73 SER HA H 73 4.170 4.235 -0.065 1
1 948 . 2 1 1 A 73 73 SER C C 73 178.000 176.957 1.043 1
1 949 . 2 1 1 A 73 73 SER CA C 73 60.600 62.599 -1.999 1
1 950 . 2 1 1 A 73 73 SER CB C 73 62.700 62.961 -0.261 1
1 951 . 2 1 1 A 73 73 SER N N 73 115.700 119.372 -3.672 1
1 952 . 2 1 1 A 74 74 LEU H H 74 8.340 7.390 0.950 1
1 953 . 2 1 1 A 74 74 LEU HA H 74 4.000 4.056 -0.056 1
1 963 . 2 1 1 A 74 74 LEU C C 74 178.400 179.132 -0.732 1
1 964 . 2 1 1 A 74 74 LEU CA C 74 57.900 57.643 0.257 1
1 965 . 2 1 1 A 74 74 LEU CB C 74 41.700 41.606 0.094 1
1 969 . 2 1 1 A 74 74 LEU N N 74 124.600 118.026 6.574 1
1 970 . 2 1 1 A 75 75 ARG H H 75 7.850 7.778 0.072 1
1 971 . 2 1 1 A 75 75 ARG HA H 75 3.750 4.052 -0.302 1
1 979 . 2 1 1 A 75 75 ARG C C 75 176.500 177.927 -1.427 1
1 980 . 2 1 1 A 75 75 ARG CA C 75 57.800 58.891 -1.091 1
1 981 . 2 1 1 A 75 75 ARG CB C 75 29.500 29.674 -0.174 1
1 985 . 2 1 1 A 75 75 ARG N N 75 113.300 119.067 -5.767 1
1 987 . 2 1 1 A 76 76 LYS H H 76 7.100 7.776 -0.676 1
1 988 . 2 1 1 A 76 76 LYS HA H 76 4.210 4.322 -0.112 1
1 997 . 2 1 1 A 76 76 LYS C C 76 177.000 176.863 0.137 1
1 998 . 2 1 1 A 76 76 LYS CA C 76 56.500 57.816 -1.316 1
1 999 . 2 1 1 A 76 76 LYS CB C 76 32.700 32.201 0.499 1
1 1003 . 2 1 1 A 76 76 LYS N N 76 116.600 115.352 1.248 1
1 1004 . 2 1 1 A 77 77 LYS H H 77 7.830 7.320 0.510 1
1 1005 . 2 1 1 A 77 77 LYS HA H 77 4.470 4.481 -0.011 1
1 1014 . 2 1 1 A 77 77 LYS CA C 77 54.500 54.218 0.282 1
1 1015 . 2 1 1 A 77 77 LYS CB C 77 31.800 31.863 -0.063 1
1 1019 . 2 1 1 A 77 77 LYS N N 77 122.900 122.232 0.668 1
1 1020 . 2 1 1 A 78 78 PRO HA H 78 4.190 4.197 -0.007 1
1 1027 . 2 1 1 A 78 78 PRO C C 78 176.600 177.305 -0.705 1
1 1028 . 2 1 1 A 78 78 PRO CA C 78 63.700 63.574 0.126 1
1 1029 . 2 1 1 A 78 78 PRO CB C 78 31.900 31.469 0.431 1
1 1032 . 2 1 1 A 79 79 GLY H H 79 8.290 8.701 -0.411 1
1 1033 . 2 1 1 A 79 79 GLY HA2 H 79 4.350 3.919 0.431 1
1 1034 . 2 1 1 A 79 79 GLY HA3 H 79 3.590 4.014 -0.424 1
1 1035 . 2 1 1 A 79 79 GLY C C 79 172.000 174.178 -2.178 1
1 1036 . 2 1 1 A 79 79 GLY CA C 79 45.500 45.340 0.160 1
1 1037 . 2 1 1 A 79 79 GLY N N 79 109.300 111.585 -2.285 1
1 1038 . 2 1 1 A 80 80 ILE H H 80 7.300 7.187 0.113 1
1 1039 . 2 1 1 A 80 80 ILE HA H 80 4.770 4.175 0.595 1
1 1049 . 2 1 1 A 80 80 ILE C C 80 174.200 175.049 -0.849 1
1 1050 . 2 1 1 A 80 80 ILE CA C 80 60.500 61.179 -0.679 1
1 1051 . 2 1 1 A 80 80 ILE CB C 80 37.000 38.031 -1.031 1
1 1055 . 2 1 1 A 80 80 ILE N N 80 119.200 121.962 -2.762 1
1 1056 . 2 1 1 A 81 81 TYR H H 81 9.490 8.499 0.991 1
1 1057 . 2 1 1 A 81 81 TYR HA H 81 4.840 4.889 -0.049 1
1 1064 . 2 1 1 A 81 81 TYR CA C 81 56.800 55.831 0.969 1
1 1065 . 2 1 1 A 81 81 TYR CB C 81 39.800 40.947 -1.147 1
1 1070 . 2 1 1 A 81 81 TYR N N 81 126.100 126.232 -0.132 1
1 1071 . 2 1 1 A 82 82 PRO HA H 82 4.610 4.559 0.051 1
1 1078 . 2 1 1 A 82 82 PRO CA C 82 62.300 62.992 -0.692 1
1 1079 . 2 1 1 A 82 82 PRO CB C 82 32.000 32.548 -0.548 1
1 1082 . 2 1 1 A 83 83 ALA HA H 83 4.140 3.629 0.511 1
1 1086 . 2 1 1 A 84 84 TYR HA H 84 4.470 4.231 0.239 1
1 1093 . 2 1 1 A 84 84 TYR CA C 84 57.500 61.249 -3.749 1
1 1094 . 2 1 1 A 84 84 TYR CB C 84 39.500 37.074 2.426 1
1 1099 . 2 1 1 A 87 87 ASN HA H 87 4.410 4.678 -0.268 1
1 1104 . 2 1 1 A 87 87 ASN C C 87 176.500 175.968 0.532 1
1 1105 . 2 1 1 A 87 87 ASN CA C 87 55.100 54.259 0.841 1
1 1106 . 2 1 1 A 87 87 ASN CB C 87 40.600 39.457 1.143 1
1 1109 . 2 1 1 A 88 88 LYS H H 88 8.710 8.052 0.658 1
1 1110 . 2 1 1 A 88 88 LYS HA H 88 4.320 4.188 0.132 1
1 1119 . 2 1 1 A 88 88 LYS C C 88 177.600 175.998 1.602 1
1 1120 . 2 1 1 A 88 88 LYS CA C 88 58.100 56.702 1.398 1
1 1121 . 2 1 1 A 88 88 LYS CB C 88 33.000 32.176 0.824 1
1 1125 . 2 1 1 A 88 88 LYS N N 88 123.800 118.420 5.380 1
1 1126 . 2 1 1 A 89 89 GLU H H 89 8.390 8.749 -0.359 1
1 1127 . 2 1 1 A 89 89 GLU HA H 89 4.270 4.210 0.060 1
1 1132 . 2 1 1 A 89 89 GLU C C 89 176.500 177.392 -0.892 1
1 1133 . 2 1 1 A 89 89 GLU CA C 89 57.800 58.556 -0.756 1
1 1134 . 2 1 1 A 89 89 GLU CB C 89 30.100 29.224 0.876 1
1 1136 . 2 1 1 A 89 89 GLU N N 89 117.000 123.825 -6.825 1
1 1137 . 2 1 1 A 90 90 HIS H H 90 7.600 8.434 -0.834 1
1 1138 . 2 1 1 A 90 90 HIS HA H 90 4.580 4.258 0.322 1
1 1142 . 2 1 1 A 90 90 HIS C C 90 170.800 175.115 -4.315 1
1 1143 . 2 1 1 A 90 90 HIS CA C 90 55.500 58.425 -2.925 1
1 1144 . 2 1 1 A 90 90 HIS CB C 90 32.200 29.234 2.966 1
1 1145 . 2 1 1 A 90 90 HIS N N 90 111.500 116.712 -5.212 1
1 1146 . 2 1 1 A 91 91 TRP H H 91 7.650 7.612 0.038 1
1 1147 . 2 1 1 A 91 91 TRP HA H 91 5.610 5.672 -0.062 1
1 1156 . 2 1 1 A 91 91 TRP C C 91 174.600 175.305 -0.705 1
1 1157 . 2 1 1 A 91 91 TRP CA C 91 55.500 55.643 -0.143 1
1 1158 . 2 1 1 A 91 91 TRP CB C 91 31.700 32.946 -1.246 1
1 1163 . 2 1 1 A 91 91 TRP N N 91 117.400 115.830 1.570 1
1 1165 . 2 1 1 A 92 92 ILE H H 92 9.100 9.104 -0.004 1
1 1166 . 2 1 1 A 92 92 ILE HA H 92 4.630 4.871 -0.241 1
1 1176 . 2 1 1 A 92 92 ILE C C 92 174.500 175.629 -1.129 1
1 1177 . 2 1 1 A 92 92 ILE CA C 92 59.800 59.765 0.035 1
1 1178 . 2 1 1 A 92 92 ILE CB C 92 42.500 41.138 1.362 1
1 1182 . 2 1 1 A 92 92 ILE N N 92 111.700 123.827 -12.127 1
1 1183 . 2 1 1 A 93 93 THR H H 93 8.570 8.410 0.160 1
1 1184 . 2 1 1 A 93 93 THR HA H 93 4.250 5.235 -0.985 1
1 1190 . 2 1 1 A 93 93 THR CA C 93 61.800 60.815 0.985 1
1 1191 . 2 1 1 A 93 93 THR CB C 93 70.200 70.321 -0.121 1
1 1193 . 2 1 1 A 93 93 THR N N 93 117.600 119.933 -2.333 1
1 1194 . 2 1 1 A 94 94 VAL HA H 94 4.680 4.837 -0.157 1
1 1202 . 2 1 1 A 94 94 VAL C C 94 175.400 174.916 0.484 1
1 1203 . 2 1 1 A 94 94 VAL CA C 94 60.700 60.558 0.142 1
1 1204 . 2 1 1 A 94 94 VAL CB C 94 34.100 34.733 -0.633 1
1 1207 . 2 1 1 A 95 95 LEU H H 95 8.080 8.593 -0.513 1
1 1208 . 2 1 1 A 95 95 LEU HA H 95 4.330 4.590 -0.260 1
1 1218 . 2 1 1 A 95 95 LEU C C 95 176.400 176.229 0.171 1
1 1219 . 2 1 1 A 95 95 LEU CA C 95 55.000 54.608 0.392 1
1 1220 . 2 1 1 A 95 95 LEU CB C 95 44.300 41.954 2.346 1
1 1224 . 2 1 1 A 95 95 LEU N N 95 127.500 127.587 -0.087 1
1 1225 . 2 1 1 A 96 96 LEU H H 96 8.050 8.464 -0.414 1
1 1226 . 2 1 1 A 96 96 LEU HA H 96 4.150 4.028 0.122 1
1 1236 . 2 1 1 A 96 96 LEU C C 96 177.400 178.701 -1.301 1
1 1237 . 2 1 1 A 96 96 LEU CA C 96 56.500 58.102 -1.602 1
1 1238 . 2 1 1 A 96 96 LEU CB C 96 40.500 41.462 -0.962 1
1 1242 . 2 1 1 A 96 96 LEU N N 96 128.100 127.134 0.966 1
1 1243 . 2 1 1 A 97 97 ASN H H 97 8.690 7.957 0.733 1
1 1244 . 2 1 1 A 97 97 ASN HA H 97 4.740 4.717 0.023 1
1 1249 . 2 1 1 A 97 97 ASN C C 97 174.900 176.136 -1.236 1
1 1250 . 2 1 1 A 97 97 ASN CA C 97 53.000 54.424 -1.424 1
1 1251 . 2 1 1 A 97 97 ASN CB C 97 37.700 38.717 -1.017 1
1 1252 . 2 1 1 A 97 97 ASN N N 97 117.200 114.684 2.516 1
1 1254 . 2 1 1 A 98 98 GLY H H 98 7.820 8.078 -0.258 1
1 1255 . 2 1 1 A 98 98 GLY HA2 H 98 4.470 4.100 0.370 1
1 1256 . 2 1 1 A 98 98 GLY HA3 H 98 3.740 4.102 -0.362 1
1 1257 . 2 1 1 A 98 98 GLY C C 98 174.900 174.650 0.250 1
1 1258 . 2 1 1 A 98 98 GLY CA C 98 44.900 44.376 0.524 1
1 1259 . 2 1 1 A 98 98 GLY N N 98 108.600 108.095 0.505 1
1 1260 . 2 1 1 A 99 99 PRO HA H 99 4.380 4.590 -0.210 1
1 1267 . 2 1 1 A 99 99 PRO C C 99 177.400 176.368 1.032 1
1 1268 . 2 1 1 A 99 99 PRO CA C 99 63.900 63.631 0.269 1
1 1269 . 2 1 1 A 99 99 PRO CB C 99 32.400 31.749 0.651 1
1 1272 . 2 1 1 A 100 100 LEU H H 100 7.750 7.604 0.146 1
1 1273 . 2 1 1 A 100 100 LEU HA H 100 4.280 4.423 -0.143 1
1 1283 . 2 1 1 A 100 100 LEU C C 100 177.400 176.943 0.457 1
1 1284 . 2 1 1 A 100 100 LEU CA C 100 55.800 53.724 2.076 1
1 1285 . 2 1 1 A 100 100 LEU CB C 100 42.600 42.592 0.008 1
1 1289 . 2 1 1 A 100 100 LEU N N 100 120.300 115.990 4.310 1
1 1290 . 2 1 1 A 101 101 GLY H H 101 8.620 8.410 0.210 1
1 1291 . 2 1 1 A 101 101 GLY HA2 H 101 4.110 4.150 -0.040 1
1 1292 . 2 1 1 A 101 101 GLY HA3 H 101 3.890 4.157 -0.267 1
1 1293 . 2 1 1 A 101 101 GLY C C 101 173.600 174.659 -1.059 1
1 1294 . 2 1 1 A 101 101 GLY CA C 101 44.300 44.064 0.236 1
1 1295 . 2 1 1 A 101 101 GLY N N 101 110.600 107.572 3.028 1
1 1296 . 2 1 1 A 102 102 ALA H H 102 8.310 8.838 -0.528 1
1 1297 . 2 1 1 A 102 102 ALA HA H 102 3.520 3.849 -0.329 1
1 1301 . 2 1 1 A 102 102 ALA C C 102 178.900 179.611 -0.711 1
1 1302 . 2 1 1 A 102 102 ALA CA C 102 55.400 54.487 0.913 1
1 1303 . 2 1 1 A 102 102 ALA CB C 102 18.600 18.096 0.504 1
1 1304 . 2 1 1 A 102 102 ALA N N 102 122.000 122.633 -0.633 1
1 1305 . 2 1 1 A 103 103 LYS H H 103 8.360 7.967 0.393 1
1 1306 . 2 1 1 A 103 103 LYS HA H 103 3.730 3.748 -0.018 1
1 1315 . 2 1 1 A 103 103 LYS C C 103 179.400 179.061 0.339 1
1 1316 . 2 1 1 A 103 103 LYS CA C 103 60.000 59.533 0.467 1
1 1317 . 2 1 1 A 103 103 LYS CB C 103 31.900 32.085 -0.185 1
1 1321 . 2 1 1 A 103 103 LYS N N 103 116.500 117.744 -1.244 1
1 1322 . 2 1 1 A 104 104 GLU H H 104 7.890 7.812 0.078 1
1 1323 . 2 1 1 A 104 104 GLU HA H 104 4.080 4.166 -0.086 1
1 1328 . 2 1 1 A 104 104 GLU C C 104 179.300 179.345 -0.045 1
1 1329 . 2 1 1 A 104 104 GLU CA C 104 59.500 58.944 0.556 1
1 1330 . 2 1 1 A 104 104 GLU CB C 104 29.100 29.450 -0.350 1
1 1332 . 2 1 1 A 104 104 GLU N N 104 120.000 119.298 0.702 1
1 1333 . 2 1 1 A 105 105 ILE H H 105 8.170 7.432 0.738 1
1 1334 . 2 1 1 A 105 105 ILE HA H 105 3.520 3.728 -0.208 1
1 1344 . 2 1 1 A 105 105 ILE C C 105 178.100 178.157 -0.057 1
1 1345 . 2 1 1 A 105 105 ILE CA C 105 66.700 65.433 1.267 1
1 1346 . 2 1 1 A 105 105 ILE CB C 105 37.700 37.824 -0.124 1
1 1350 . 2 1 1 A 105 105 ILE N N 105 119.500 120.453 -0.953 1
1 1351 . 2 1 1 A 106 106 HIS H H 106 8.930 8.178 0.752 1
1 1352 . 2 1 1 A 106 106 HIS HA H 106 4.230 4.246 -0.016 1
1 1356 . 2 1 1 A 106 106 HIS C C 106 178.000 177.815 0.185 1
1 1357 . 2 1 1 A 106 106 HIS CA C 106 57.600 60.049 -2.449 1
1 1358 . 2 1 1 A 106 106 HIS CB C 106 28.400 29.390 -0.990 1
1 1360 . 2 1 1 A 106 106 HIS N N 106 116.700 120.225 -3.525 1
1 1361 . 2 1 1 A 107 107 SER H H 107 8.060 8.067 -0.007 1
1 1362 . 2 1 1 A 107 107 SER HA H 107 4.310 4.134 0.176 1
1 1365 . 2 1 1 A 107 107 SER C C 107 175.900 176.390 -0.490 1
1 1366 . 2 1 1 A 107 107 SER CA C 107 62.200 61.856 0.344 1
1 1367 . 2 1 1 A 107 107 SER CB C 107 62.500 63.093 -0.593 1
1 1368 . 2 1 1 A 107 107 SER N N 107 117.000 115.290 1.710 1
1 1369 . 2 1 1 A 108 108 LEU H H 108 7.950 8.342 -0.392 1
1 1370 . 2 1 1 A 108 108 LEU HA H 108 4.180 4.026 0.154 1
1 1380 . 2 1 1 A 108 108 LEU C C 108 180.600 179.089 1.511 1
1 1381 . 2 1 1 A 108 108 LEU CA C 108 57.900 58.124 -0.224 1
1 1382 . 2 1 1 A 108 108 LEU CB C 108 42.500 41.979 0.521 1
1 1386 . 2 1 1 A 108 108 LEU N N 108 121.800 120.371 1.429 1
1 1387 . 2 1 1 A 109 109 ILE H H 109 8.730 8.332 0.398 1
1 1388 . 2 1 1 A 109 109 ILE HA H 109 3.830 3.628 0.202 1
1 1398 . 2 1 1 A 109 109 ILE C C 109 176.800 178.150 -1.350 1
1 1399 . 2 1 1 A 109 109 ILE CA C 109 65.800 65.383 0.417 1
1 1400 . 2 1 1 A 109 109 ILE CB C 109 38.600 37.487 1.113 1
1 1404 . 2 1 1 A 109 109 ILE N N 109 120.200 119.702 0.498 1
1 1405 . 2 1 1 A 110 110 GLU H H 110 7.960 9.068 -1.108 1
1 1406 . 2 1 1 A 110 110 GLU HA H 110 4.280 3.992 0.288 1
1 1411 . 2 1 1 A 110 110 GLU C C 110 178.500 178.545 -0.045 1
1 1412 . 2 1 1 A 110 110 GLU CA C 110 58.800 60.027 -1.227 1
1 1413 . 2 1 1 A 110 110 GLU CB C 110 28.200 29.341 -1.141 1
1 1415 . 2 1 1 A 110 110 GLU N N 110 120.800 121.459 -0.659 1
1 1416 . 2 1 1 A 111 111 ASP H H 111 8.290 8.080 0.210 1
1 1417 . 2 1 1 A 111 111 ASP HA H 111 4.470 4.492 -0.022 1
1 1420 . 2 1 1 A 111 111 ASP C C 111 178.200 178.725 -0.525 1
1 1421 . 2 1 1 A 111 111 ASP CA C 111 57.100 57.121 -0.021 1
1 1422 . 2 1 1 A 111 111 ASP CB C 111 39.300 40.262 -0.962 1
1 1423 . 2 1 1 A 111 111 ASP N N 111 119.200 120.629 -1.429 1
1 1424 . 2 1 1 A 112 112 SER H H 112 7.800 8.108 -0.308 1
1 1425 . 2 1 1 A 112 112 SER HA H 112 4.200 4.297 -0.097 1
1 1428 . 2 1 1 A 112 112 SER C C 112 178.600 176.111 2.489 1
1 1429 . 2 1 1 A 112 112 SER CA C 112 61.200 62.396 -1.196 1
1 1430 . 2 1 1 A 112 112 SER CB C 112 64.200 63.569 0.631 1
1 1431 . 2 1 1 A 112 112 SER N N 112 114.700 116.051 -1.351 1
1 1432 . 2 1 1 A 113 113 PHE H H 113 9.160 8.363 0.797 1
1 1433 . 2 1 1 A 113 113 PHE HA H 113 3.210 4.184 -0.974 1
1 1436 . 2 1 1 A 113 113 PHE C C 113 178.100 177.860 0.240 1
1 1437 . 2 1 1 A 113 113 PHE CA C 113 62.900 61.453 1.447 1
1 1438 . 2 1 1 A 113 113 PHE CB C 113 39.100 39.385 -0.285 1
1 1439 . 2 1 1 A 113 113 PHE N N 113 121.400 122.597 -1.197 1
1 1440 . 2 1 1 A 114 114 GLN H H 114 8.870 8.265 0.605 1
1 1441 . 2 1 1 A 114 114 GLN HA H 114 4.000 3.814 0.186 1
1 1448 . 2 1 1 A 114 114 GLN C C 114 179.700 177.522 2.178 1
1 1449 . 2 1 1 A 114 114 GLN CA C 114 58.300 58.647 -0.347 1
1 1450 . 2 1 1 A 114 114 GLN CB C 114 27.600 28.279 -0.679 1
1 1453 . 2 1 1 A 114 114 GLN N N 114 116.800 118.116 -1.316 1
1 1455 . 2 1 1 A 115 115 LEU H H 115 8.570 7.494 1.076 1
1 1456 . 2 1 1 A 115 115 LEU HA H 115 4.090 4.214 -0.124 1
1 1466 . 2 1 1 A 115 115 LEU C C 115 178.600 177.906 0.694 1
1 1467 . 2 1 1 A 115 115 LEU CA C 115 57.300 56.145 1.155 1
1 1468 . 2 1 1 A 115 115 LEU CB C 115 43.200 42.185 1.015 1
1 1472 . 2 1 1 A 115 115 LEU N N 115 119.800 119.561 0.239 1
1 1473 . 2 1 1 A 116 116 THR H H 116 7.240 7.380 -0.140 1
1 1474 . 2 1 1 A 116 116 THR HA H 116 4.270 4.489 -0.219 1
1 1480 . 2 1 1 A 116 116 THR C C 116 173.200 174.460 -1.260 1
1 1481 . 2 1 1 A 116 116 THR CA C 116 60.700 60.746 -0.046 1
1 1482 . 2 1 1 A 116 116 THR CB C 116 70.800 69.117 1.683 1
1 1484 . 2 1 1 A 116 116 THR N N 116 104.900 105.599 -0.699 1
1 1485 . 2 1 1 A 117 117 ARG H H 117 6.840 7.221 -0.381 1
1 1486 . 2 1 1 A 117 117 ARG HA H 117 3.060 3.662 -0.602 1
1 1494 . 2 1 1 A 117 117 ARG C C 117 175.200 175.383 -0.183 1
1 1495 . 2 1 1 A 117 117 ARG CA C 117 55.900 55.733 0.167 1
1 1496 . 2 1 1 A 117 117 ARG CB C 117 31.100 30.195 0.905 1
1 1500 . 2 1 1 A 117 117 ARG N N 117 120.900 123.066 -2.166 1
1 1502 . 2 1 1 A 118 118 LEU H H 118 8.380 8.236 0.144 1
1 1503 . 2 1 1 A 118 118 LEU HA H 118 4.100 4.756 -0.656 1
1 1513 . 2 1 1 A 118 118 LEU C C 118 176.500 174.363 2.137 1
1 1514 . 2 1 1 A 118 118 LEU CA C 118 55.300 54.231 1.069 1
1 1515 . 2 1 1 A 118 118 LEU CB C 118 42.400 43.921 -1.521 1
1 1519 . 2 1 1 A 118 118 LEU N N 118 122.600 124.945 -2.345 1
1 1520 . 2 1 1 A 119 119 GLU H H 119 8.330 8.695 -0.365 1
1 1521 . 2 1 1 A 119 119 GLU HA H 119 4.160 4.767 -0.607 1
1 1526 . 2 1 1 A 119 119 GLU C C 119 175.800 176.818 -1.018 1
1 1527 . 2 1 1 A 119 119 GLU CA C 119 56.000 54.932 1.068 1
1 1528 . 2 1 1 A 119 119 GLU CB C 119 30.300 29.251 1.049 1
1 1530 . 2 1 1 A 119 119 GLU N N 119 124.000 125.455 -1.455 1
1 1531 . 2 1 1 A 120 120 HIS H H 120 8.520 8.299 0.221 1
1 1532 . 2 1 1 A 120 120 HIS HA H 120 4.620 4.209 0.411 1
1 1535 . 2 1 1 A 120 120 HIS C C 120 174.000 174.618 -0.618 1
1 1536 . 2 1 1 A 120 120 HIS CA C 120 55.300 58.259 -2.959 1
1 1537 . 2 1 1 A 120 120 HIS CB C 120 29.300 29.710 -0.410 1
1 1538 . 2 1 1 A 120 120 HIS N N 120 120.100 119.363 0.737 1
1 1539 . 2 1 1 A 121 121 HIS H H 121 8.580 7.482 1.098 1
1 1540 . 2 1 1 A 121 121 HIS HA H 121 4.620 4.821 -0.201 1
1 1543 . 2 1 1 A 121 121 HIS C C 121 173.500 174.962 -1.462 1
1 1544 . 2 1 1 A 121 121 HIS CA C 121 55.300 54.288 1.012 1
1 1545 . 2 1 1 A 121 121 HIS CB C 121 29.200 32.868 -3.668 1
1 1546 . 2 1 1 A 121 121 HIS N N 121 120.800 116.745 4.055 1
1 1547 . 2 1 1 A 122 122 HIS H H 122 8.400 8.678 -0.278 1
1 1548 . 2 1 1 A 122 122 HIS HA H 122 4.620 4.387 0.233 1
1 1551 . 2 1 1 A 122 122 HIS CA C 122 55.300 59.012 -3.712 1
1 1552 . 2 1 1 A 122 122 HIS CB C 122 29.200 29.799 -0.599 1
1 1553 . 2 1 1 A 122 122 HIS N N 122 125.700 120.799 4.901 1
1 1554 . 2 1 1 A 123 123 HIS H H 123 8.690 7.518 1.172 1
1 1555 . 2 1 1 A 123 123 HIS HA H 123 4.640 5.215 -0.575 1
1 1558 . 2 1 1 A 123 123 HIS C C 123 174.100 172.981 1.119 1
1 1559 . 2 1 1 A 123 123 HIS CA C 123 55.300 54.391 0.909 1
1 1560 . 2 1 1 A 123 123 HIS CB C 123 29.300 33.334 -4.034 1
1 1561 . 2 1 1 A 123 123 HIS N N 123 120.200 112.685 7.515 1
1 1562 . 2 1 1 A 124 124 HIS H H 124 8.710 8.772 -0.062 1
1 1563 . 2 1 1 A 124 124 HIS HA H 124 4.640 5.403 -0.763 1
1 1566 . 2 1 1 A 124 124 HIS C C 124 174.200 172.491 1.709 1
1 1567 . 2 1 1 A 124 124 HIS CA C 124 55.300 54.143 1.157 1
1 1568 . 2 1 1 A 124 124 HIS CB C 124 29.300 33.181 -3.881 1
1 14 . 3 1 1 A 2 2 ASN H H 2 8.500 9.088 -0.588 1
1 15 . 3 1 1 A 2 2 ASN HA H 2 4.990 5.019 -0.029 1
1 20 . 3 1 1 A 2 2 ASN C C 2 175.600 177.278 -1.678 1
1 21 . 3 1 1 A 2 2 ASN CA C 2 51.000 52.282 -1.282 1
1 22 . 3 1 1 A 2 2 ASN CB C 2 40.000 39.492 0.508 1
1 24 . 3 1 1 A 2 2 ASN N N 2 122.000 123.768 -1.768 1
1 26 . 3 1 1 A 3 3 ARG H H 3 8.950 9.016 -0.066 1
1 27 . 3 1 1 A 3 3 ARG HA H 3 3.850 4.011 -0.161 1
1 35 . 3 1 1 A 3 3 ARG C C 3 175.600 177.634 -2.034 1
1 36 . 3 1 1 A 3 3 ARG CA C 3 60.400 59.691 0.709 1
1 37 . 3 1 1 A 3 3 ARG CB C 3 30.900 29.942 0.958 1
1 41 . 3 1 1 A 3 3 ARG N N 3 117.600 123.575 -5.975 1
1 43 . 3 1 1 A 4 4 GLN H H 4 8.370 8.078 0.292 1
1 44 . 3 1 1 A 4 4 GLN HA H 4 3.900 4.141 -0.241 1
1 51 . 3 1 1 A 4 4 GLN C C 4 178.300 178.317 -0.017 1
1 52 . 3 1 1 A 4 4 GLN CA C 4 58.900 59.235 -0.335 1
1 53 . 3 1 1 A 4 4 GLN CB C 4 28.200 28.459 -0.259 1
1 56 . 3 1 1 A 4 4 GLN N N 4 120.700 118.515 2.185 1
1 58 . 3 1 1 A 5 5 GLN H H 5 8.670 8.093 0.577 1
1 59 . 3 1 1 A 5 5 GLN HA H 5 4.190 4.139 0.051 1
1 66 . 3 1 1 A 5 5 GLN C C 5 180.000 178.543 1.457 1
1 67 . 3 1 1 A 5 5 GLN CA C 5 58.500 58.999 -0.499 1
1 68 . 3 1 1 A 5 5 GLN CB C 5 28.900 28.417 0.483 1
1 71 . 3 1 1 A 5 5 GLN N N 5 117.700 118.665 -0.965 1
1 73 . 3 1 1 A 6 6 PHE H H 6 8.270 8.094 0.176 1
1 74 . 3 1 1 A 6 6 PHE HA H 6 4.130 4.195 -0.065 1
1 82 . 3 1 1 A 6 6 PHE C C 6 175.500 177.278 -1.778 1
1 83 . 3 1 1 A 6 6 PHE CA C 6 62.700 61.237 1.463 1
1 84 . 3 1 1 A 6 6 PHE CB C 6 39.000 39.260 -0.260 1
1 90 . 3 1 1 A 6 6 PHE N N 6 121.200 120.455 0.745 1
1 91 . 3 1 1 A 7 7 ILE H H 7 8.390 8.223 0.167 1
1 92 . 3 1 1 A 7 7 ILE HA H 7 3.280 3.557 -0.277 1
1 102 . 3 1 1 A 7 7 ILE C C 7 178.900 177.794 1.106 1
1 103 . 3 1 1 A 7 7 ILE CA C 7 66.400 65.493 0.907 1
1 104 . 3 1 1 A 7 7 ILE CB C 7 38.500 37.945 0.555 1
1 108 . 3 1 1 A 7 7 ILE N N 7 121.000 120.904 0.096 1
1 109 . 3 1 1 A 8 8 ASP H H 8 8.710 8.271 0.439 1
1 110 . 3 1 1 A 8 8 ASP HA H 8 4.370 4.347 0.023 1
1 113 . 3 1 1 A 8 8 ASP C C 8 178.000 177.976 0.024 1
1 114 . 3 1 1 A 8 8 ASP CA C 8 57.300 57.214 0.086 1
1 115 . 3 1 1 A 8 8 ASP CB C 8 40.600 40.737 -0.137 1
1 116 . 3 1 1 A 8 8 ASP N N 8 119.800 120.748 -0.948 1
1 117 . 3 1 1 A 9 9 TYR H H 9 8.060 8.512 -0.452 1
1 118 . 3 1 1 A 9 9 TYR HA H 9 4.000 4.192 -0.192 1
1 125 . 3 1 1 A 9 9 TYR C C 9 176.500 177.673 -1.173 1
1 126 . 3 1 1 A 9 9 TYR CA C 9 61.700 61.589 0.111 1
1 127 . 3 1 1 A 9 9 TYR CB C 9 38.600 38.523 0.077 1
1 132 . 3 1 1 A 9 9 TYR N N 9 121.600 121.154 0.446 1
1 133 . 3 1 1 A 10 10 ALA H H 10 8.340 8.237 0.103 1
1 134 . 3 1 1 A 10 10 ALA HA H 10 3.730 4.279 -0.549 1
1 138 . 3 1 1 A 10 10 ALA C C 10 180.200 180.331 -0.131 1
1 139 . 3 1 1 A 10 10 ALA CA C 10 55.200 54.879 0.321 1
1 140 . 3 1 1 A 10 10 ALA CB C 10 17.300 18.129 -0.829 1
1 141 . 3 1 1 A 10 10 ALA N N 10 120.700 121.535 -0.835 1
1 142 . 3 1 1 A 11 11 GLN H H 11 7.830 7.894 -0.064 1
1 143 . 3 1 1 A 11 11 GLN HA H 11 4.130 4.035 0.095 1
1 150 . 3 1 1 A 11 11 GLN C C 11 178.300 178.353 -0.053 1
1 151 . 3 1 1 A 11 11 GLN CA C 11 59.200 59.208 -0.008 1
1 152 . 3 1 1 A 11 11 GLN CB C 11 28.600 28.499 0.101 1
1 155 . 3 1 1 A 11 11 GLN N N 11 116.600 117.952 -1.352 1
1 157 . 3 1 1 A 12 12 LYS H H 12 8.040 7.764 0.276 1
1 158 . 3 1 1 A 12 12 LYS HA H 12 3.890 4.003 -0.113 1
1 167 . 3 1 1 A 12 12 LYS C C 12 178.200 178.267 -0.067 1
1 168 . 3 1 1 A 12 12 LYS CA C 12 58.800 59.252 -0.452 1
1 169 . 3 1 1 A 12 12 LYS CB C 12 32.700 32.154 0.546 1
1 173 . 3 1 1 A 12 12 LYS N N 12 119.300 118.560 0.740 1
1 174 . 3 1 1 A 13 13 LYS H H 13 8.440 7.602 0.838 1
1 175 . 3 1 1 A 13 13 LYS HA H 13 3.610 3.823 -0.213 1
1 184 . 3 1 1 A 13 13 LYS C C 13 177.600 176.276 1.324 1
1 185 . 3 1 1 A 13 13 LYS CA C 13 56.900 57.298 -0.398 1
1 186 . 3 1 1 A 13 13 LYS CB C 13 32.000 32.356 -0.356 1
1 190 . 3 1 1 A 13 13 LYS N N 13 117.700 115.931 1.769 1
1 191 . 3 1 1 A 14 14 TYR H H 14 6.780 7.756 -0.976 1
1 192 . 3 1 1 A 14 14 TYR HA H 14 4.530 4.585 -0.055 1
1 199 . 3 1 1 A 14 14 TYR C C 14 175.800 174.985 0.815 1
1 200 . 3 1 1 A 14 14 TYR CA C 14 56.600 57.979 -1.379 1
1 201 . 3 1 1 A 14 14 TYR CB C 14 39.500 40.457 -0.957 1
1 206 . 3 1 1 A 14 14 TYR N N 14 113.100 116.823 -3.723 1
1 207 . 3 1 1 A 15 15 ASP H H 15 7.620 8.724 -1.104 1
1 208 . 3 1 1 A 15 15 ASP HA H 15 4.810 4.265 0.545 1
1 211 . 3 1 1 A 15 15 ASP C C 15 175.200 174.803 0.397 1
1 212 . 3 1 1 A 15 15 ASP CA C 15 55.100 55.203 -0.103 1
1 213 . 3 1 1 A 15 15 ASP CB C 15 39.300 39.850 -0.550 1
1 214 . 3 1 1 A 15 15 ASP N N 15 119.600 120.131 -0.531 1
1 215 . 3 1 1 A 16 16 THR H H 16 7.560 8.034 -0.474 1
1 216 . 3 1 1 A 16 16 THR HA H 16 4.650 4.545 0.105 1
1 222 . 3 1 1 A 16 16 THR C C 16 173.200 173.955 -0.755 1
1 223 . 3 1 1 A 16 16 THR CA C 16 61.500 61.941 -0.441 1
1 224 . 3 1 1 A 16 16 THR CB C 16 71.000 70.241 0.759 1
1 226 . 3 1 1 A 16 16 THR N N 16 113.100 114.102 -1.002 1
1 227 . 3 1 1 A 17 17 LYS H H 17 8.830 8.699 0.131 1
1 228 . 3 1 1 A 17 17 LYS HA H 17 4.690 4.801 -0.111 1
1 235 . 3 1 1 A 17 17 LYS C C 17 173.200 174.240 -1.040 1
1 236 . 3 1 1 A 17 17 LYS CA C 17 53.600 54.156 -0.556 1
1 237 . 3 1 1 A 17 17 LYS CB C 17 32.800 31.605 1.195 1
1 241 . 3 1 1 A 17 17 LYS N N 17 127.200 126.548 0.652 1
1 242 . 3 1 1 A 18 18 PRO HA H 18 3.540 3.688 -0.148 1
1 249 . 3 1 1 A 18 18 PRO C C 18 175.800 175.265 0.535 1
1 250 . 3 1 1 A 18 18 PRO CA C 18 62.000 62.918 -0.918 1
1 251 . 3 1 1 A 18 18 PRO CB C 18 32.200 32.048 0.152 1
1 254 . 3 1 1 A 19 19 ASP H H 19 8.310 7.952 0.358 1
1 255 . 3 1 1 A 19 19 ASP HA H 19 4.740 4.819 -0.079 1
1 258 . 3 1 1 A 19 19 ASP C C 19 175.100 174.862 0.238 1
1 259 . 3 1 1 A 19 19 ASP CA C 19 52.300 52.261 0.039 1
1 260 . 3 1 1 A 19 19 ASP CB C 19 43.700 44.002 -0.302 1
1 261 . 3 1 1 A 19 19 ASP N N 19 120.300 120.586 -0.286 1
1 262 . 3 1 1 A 20 20 HIS H H 20 8.620 8.281 0.339 1
1 263 . 3 1 1 A 20 20 HIS HA H 20 5.170 5.148 0.022 1
1 266 . 3 1 1 A 20 20 HIS CA C 20 53.200 53.034 0.166 1
1 267 . 3 1 1 A 20 20 HIS CB C 20 28.800 30.062 -1.262 1
1 268 . 3 1 1 A 20 20 HIS N N 20 118.800 121.079 -2.279 1
1 269 . 3 1 1 A 21 21 PRO HA H 21 4.190 4.118 0.072 1
1 276 . 3 1 1 A 21 21 PRO C C 21 176.600 176.273 0.327 1
1 277 . 3 1 1 A 21 21 PRO CA C 21 63.900 64.974 -1.074 1
1 278 . 3 1 1 A 21 21 PRO CB C 21 32.100 30.980 1.120 1
1 281 . 3 1 1 A 22 22 TRP H H 22 8.340 7.565 0.775 1
1 282 . 3 1 1 A 22 22 TRP HA H 22 5.000 4.877 0.123 1
1 291 . 3 1 1 A 22 22 TRP C C 22 174.200 177.054 -2.854 1
1 292 . 3 1 1 A 22 22 TRP CA C 22 57.100 57.056 0.044 1
1 293 . 3 1 1 A 22 22 TRP CB C 22 29.400 30.877 -1.477 1
1 299 . 3 1 1 A 22 22 TRP N N 22 118.700 118.377 0.323 1
1 301 . 3 1 1 A 23 23 GLU H H 23 9.030 9.058 -0.028 1
1 302 . 3 1 1 A 23 23 GLU HA H 23 4.000 4.186 -0.186 1
1 307 . 3 1 1 A 23 23 GLU C C 23 177.900 177.862 0.038 1
1 308 . 3 1 1 A 23 23 GLU CA C 23 59.100 59.525 -0.425 1
1 309 . 3 1 1 A 23 23 GLU CB C 23 29.200 29.264 -0.064 1
1 311 . 3 1 1 A 23 23 GLU N N 23 128.400 123.340 5.060 1
1 312 . 3 1 1 A 24 24 LYS H H 24 8.500 7.982 0.518 1
1 313 . 3 1 1 A 24 24 LYS HA H 24 3.890 4.038 -0.148 1
1 322 . 3 1 1 A 24 24 LYS C C 24 175.300 176.043 -0.743 1
1 323 . 3 1 1 A 24 24 LYS CA C 24 57.100 57.515 -0.415 1
1 324 . 3 1 1 A 24 24 LYS CB C 24 32.300 31.747 0.553 1
1 328 . 3 1 1 A 24 24 LYS N N 24 115.100 117.758 -2.658 1
1 329 . 3 1 1 A 25 25 PHE H H 25 7.010 7.857 -0.847 1
1 330 . 3 1 1 A 25 25 PHE HA H 25 4.740 4.942 -0.202 1
1 338 . 3 1 1 A 25 25 PHE C C 25 175.300 174.557 0.743 1
1 339 . 3 1 1 A 25 25 PHE CA C 25 54.300 54.927 -0.627 1
1 340 . 3 1 1 A 25 25 PHE CB C 25 39.200 38.788 0.412 1
1 346 . 3 1 1 A 25 25 PHE N N 25 115.100 118.082 -2.982 1
1 347 . 3 1 1 A 26 26 PRO HA H 26 4.380 4.448 -0.068 1
1 354 . 3 1 1 A 26 26 PRO C C 26 176.900 177.088 -0.188 1
1 355 . 3 1 1 A 26 26 PRO CA C 26 64.900 64.809 0.091 1
1 356 . 3 1 1 A 26 26 PRO CB C 26 32.200 31.831 0.369 1
1 359 . 3 1 1 A 27 27 ASP H H 27 8.860 8.590 0.270 1
1 360 . 3 1 1 A 27 27 ASP HA H 27 4.810 4.655 0.155 1
1 363 . 3 1 1 A 27 27 ASP C C 27 177.200 176.517 0.683 1
1 364 . 3 1 1 A 27 27 ASP CA C 27 53.900 54.562 -0.662 1
1 365 . 3 1 1 A 27 27 ASP CB C 27 39.900 41.246 -1.346 1
1 366 . 3 1 1 A 27 27 ASP N N 27 114.400 117.498 -3.098 1
1 367 . 3 1 1 A 28 28 TYR H H 28 8.300 7.604 0.696 1
1 368 . 3 1 1 A 28 28 TYR HA H 28 5.500 4.798 0.702 1
1 375 . 3 1 1 A 28 28 TYR C C 28 175.900 176.193 -0.293 1
1 376 . 3 1 1 A 28 28 TYR CA C 28 55.600 58.053 -2.453 1
1 377 . 3 1 1 A 28 28 TYR CB C 28 36.400 40.240 -3.840 1
1 382 . 3 1 1 A 28 28 TYR N N 28 123.700 119.366 4.334 1
1 383 . 3 1 1 A 29 29 ALA H H 29 9.240 8.330 0.910 1
1 384 . 3 1 1 A 29 29 ALA HA H 29 5.030 5.225 -0.195 1
1 388 . 3 1 1 A 29 29 ALA C C 29 174.600 175.647 -1.047 1
1 389 . 3 1 1 A 29 29 ALA CA C 29 49.700 50.589 -0.889 1
1 390 . 3 1 1 A 29 29 ALA CB C 29 22.800 22.397 0.403 1
1 391 . 3 1 1 A 29 29 ALA N N 29 126.000 124.079 1.921 1
1 392 . 3 1 1 A 30 30 VAL H H 30 8.530 8.385 0.145 1
1 393 . 3 1 1 A 30 30 VAL HA H 30 4.250 4.829 -0.579 1
1 401 . 3 1 1 A 30 30 VAL C C 30 173.400 174.381 -0.981 1
1 402 . 3 1 1 A 30 30 VAL CA C 30 60.300 60.919 -0.619 1
1 403 . 3 1 1 A 30 30 VAL CB C 30 34.100 34.532 -0.432 1
1 406 . 3 1 1 A 30 30 VAL N N 30 119.700 122.166 -2.466 1
1 407 . 3 1 1 A 31 31 PHE H H 31 8.040 8.367 -0.327 1
1 408 . 3 1 1 A 31 31 PHE HA H 31 4.250 5.044 -0.794 1
1 416 . 3 1 1 A 31 31 PHE C C 31 173.200 174.534 -1.334 1
1 417 . 3 1 1 A 31 31 PHE CA C 31 56.700 56.240 0.460 1
1 418 . 3 1 1 A 31 31 PHE CB C 31 38.500 41.040 -2.540 1
1 424 . 3 1 1 A 31 31 PHE N N 31 124.100 125.748 -1.648 1
1 425 . 3 1 1 A 32 32 ARG H H 32 8.720 8.831 -0.111 1
1 426 . 3 1 1 A 32 32 ARG HA H 32 5.320 4.028 1.292 1
1 434 . 3 1 1 A 32 32 ARG C C 32 176.400 173.879 2.521 1
1 435 . 3 1 1 A 32 32 ARG CA C 32 53.400 53.860 -0.460 1
1 436 . 3 1 1 A 32 32 ARG CB C 32 34.200 33.437 0.763 1
1 440 . 3 1 1 A 32 32 ARG N N 32 122.300 120.511 1.789 1
1 442 . 3 1 1 A 33 33 HIS H H 33 8.560 8.940 -0.380 1
1 443 . 3 1 1 A 33 33 HIS HA H 33 4.710 5.113 -0.403 1
1 446 . 3 1 1 A 33 33 HIS C C 33 176.400 176.293 0.107 1
1 447 . 3 1 1 A 33 33 HIS CA C 33 56.500 54.936 1.564 1
1 448 . 3 1 1 A 33 33 HIS CB C 33 28.900 31.617 -2.717 1
1 449 . 3 1 1 A 33 33 HIS N N 33 119.800 121.586 -1.786 1
1 450 . 3 1 1 A 34 34 SER H H 34 9.160 9.181 -0.021 1
1 451 . 3 1 1 A 34 34 SER HA H 34 4.390 4.265 0.125 1
1 454 . 3 1 1 A 34 34 SER C C 34 174.900 175.372 -0.472 1
1 455 . 3 1 1 A 34 34 SER CA C 34 60.400 61.224 -0.824 1
1 456 . 3 1 1 A 34 34 SER CB C 34 63.200 63.145 0.055 1
1 457 . 3 1 1 A 34 34 SER N N 34 118.700 118.526 0.174 1
1 458 . 3 1 1 A 35 35 ASP H H 35 8.660 8.441 0.219 1
1 459 . 3 1 1 A 35 35 ASP HA H 35 4.570 4.484 0.086 1
1 462 . 3 1 1 A 35 35 ASP C C 35 177.000 176.504 0.496 1
1 463 . 3 1 1 A 35 35 ASP CA C 35 54.300 56.190 -1.890 1
1 464 . 3 1 1 A 35 35 ASP CB C 35 39.700 40.511 -0.811 1
1 465 . 3 1 1 A 35 35 ASP N N 35 118.200 120.481 -2.281 1
1 466 . 3 1 1 A 36 36 ASN H H 36 7.900 7.832 0.068 1
1 467 . 3 1 1 A 36 36 ASN HA H 36 4.660 4.987 -0.327 1
1 472 . 3 1 1 A 36 36 ASN C C 36 175.100 174.506 0.594 1
1 473 . 3 1 1 A 36 36 ASN CA C 36 52.000 51.972 0.028 1
1 474 . 3 1 1 A 36 36 ASN CB C 36 38.900 38.788 0.112 1
1 476 . 3 1 1 A 36 36 ASN N N 36 116.200 118.108 -1.908 1
1 478 . 3 1 1 A 37 37 ASP H H 37 7.890 8.395 -0.505 1
1 479 . 3 1 1 A 37 37 ASP HA H 37 4.670 4.265 0.405 1
1 482 . 3 1 1 A 37 37 ASP C C 37 175.800 175.163 0.637 1
1 483 . 3 1 1 A 37 37 ASP CA C 37 55.800 55.171 0.629 1
1 484 . 3 1 1 A 37 37 ASP CB C 37 40.500 39.540 0.960 1
1 485 . 3 1 1 A 37 37 ASP N N 37 115.300 119.896 -4.596 1
1 486 . 3 1 1 A 38 38 LYS H H 38 8.310 8.435 -0.125 1
1 487 . 3 1 1 A 38 38 LYS HA H 38 4.390 4.005 0.385 1
1 496 . 3 1 1 A 38 38 LYS C C 38 175.300 175.697 -0.397 1
1 497 . 3 1 1 A 38 38 LYS CA C 38 56.700 56.763 -0.063 1
1 498 . 3 1 1 A 38 38 LYS CB C 38 32.500 31.279 1.221 1
1 502 . 3 1 1 A 38 38 LYS N N 38 119.300 111.547 7.753 1
1 503 . 3 1 1 A 39 39 TRP HA H 39 5.000 5.328 -0.328 1
1 512 . 3 1 1 A 39 39 TRP C C 39 176.100 174.656 1.444 1
1 513 . 3 1 1 A 39 39 TRP CA C 39 55.700 55.029 0.671 1
1 514 . 3 1 1 A 39 39 TRP CB C 39 30.300 32.391 -2.091 1
1 521 . 3 1 1 A 40 40 TYR H H 40 9.270 9.053 0.217 1
1 522 . 3 1 1 A 40 40 TYR HA H 40 5.280 4.885 0.395 1
1 525 . 3 1 1 A 40 40 TYR C C 40 175.400 174.840 0.560 1
1 526 . 3 1 1 A 40 40 TYR CA C 40 55.700 56.527 -0.827 1
1 527 . 3 1 1 A 40 40 TYR CB C 40 40.300 39.669 0.631 1
1 528 . 3 1 1 A 40 40 TYR N N 40 114.000 118.110 -4.110 1
1 529 . 3 1 1 A 41 41 ALA H H 41 7.760 8.351 -0.591 1
1 530 . 3 1 1 A 41 41 ALA HA H 41 5.580 4.826 0.754 1
1 534 . 3 1 1 A 41 41 ALA C C 41 177.300 175.406 1.894 1
1 535 . 3 1 1 A 41 41 ALA CA C 41 52.900 51.209 1.691 1
1 536 . 3 1 1 A 41 41 ALA CB C 41 21.900 19.878 2.022 1
1 537 . 3 1 1 A 41 41 ALA N N 41 121.500 123.391 -1.891 1
1 538 . 3 1 1 A 42 42 LEU H H 42 8.300 9.079 -0.779 1
1 539 . 3 1 1 A 42 42 LEU HA H 42 5.200 5.222 -0.022 1
1 549 . 3 1 1 A 42 42 LEU C C 42 173.300 174.868 -1.568 1
1 550 . 3 1 1 A 42 42 LEU CA C 42 54.100 53.410 0.690 1
1 551 . 3 1 1 A 42 42 LEU CB C 42 45.900 43.621 2.279 1
1 555 . 3 1 1 A 42 42 LEU N N 42 123.700 123.965 -0.265 1
1 556 . 3 1 1 A 43 43 LEU H H 43 9.700 8.913 0.787 1
1 557 . 3 1 1 A 43 43 LEU HA H 43 5.250 5.194 0.056 1
1 567 . 3 1 1 A 43 43 LEU C C 43 173.300 175.279 -1.979 1
1 568 . 3 1 1 A 43 43 LEU CA C 43 54.000 53.825 0.175 1
1 569 . 3 1 1 A 43 43 LEU CB C 43 46.000 45.039 0.961 1
1 573 . 3 1 1 A 43 43 LEU N N 43 130.400 127.750 2.650 1
1 574 . 3 1 1 A 44 44 MET H H 44 8.800 8.406 0.394 1
1 575 . 3 1 1 A 44 44 MET HA H 44 4.420 4.875 -0.455 1
1 583 . 3 1 1 A 44 44 MET C C 44 172.500 173.086 -0.586 1
1 584 . 3 1 1 A 44 44 MET CA C 44 55.000 53.688 1.312 1
1 585 . 3 1 1 A 44 44 MET CB C 44 39.100 34.762 4.338 1
1 588 . 3 1 1 A 44 44 MET N N 44 122.800 122.065 0.735 1
1 589 . 3 1 1 A 45 45 ASP H H 45 7.960 8.599 -0.639 1
1 590 . 3 1 1 A 45 45 ASP HA H 45 5.490 5.750 -0.260 1
1 593 . 3 1 1 A 45 45 ASP C C 45 175.200 175.645 -0.445 1
1 594 . 3 1 1 A 45 45 ASP CA C 45 51.900 53.037 -1.137 1
1 595 . 3 1 1 A 45 45 ASP CB C 45 40.800 43.012 -2.212 1
1 596 . 3 1 1 A 45 45 ASP N N 45 119.400 118.584 0.816 1
1 597 . 3 1 1 A 46 46 ILE H H 46 8.800 8.381 0.419 1
1 598 . 3 1 1 A 46 46 ILE HA H 46 4.870 4.835 0.035 1
1 608 . 3 1 1 A 46 46 ILE CA C 46 57.700 57.048 0.652 1
1 609 . 3 1 1 A 46 46 ILE CB C 46 40.100 40.658 -0.558 1
1 613 . 3 1 1 A 46 46 ILE N N 46 117.400 118.111 -0.711 1
1 614 . 3 1 1 A 47 47 PRO HA H 47 4.420 4.473 -0.053 1
1 621 . 3 1 1 A 47 47 PRO C C 47 177.800 177.505 0.295 1
1 622 . 3 1 1 A 47 47 PRO CA C 47 63.000 62.991 0.009 1
1 623 . 3 1 1 A 47 47 PRO CB C 47 31.900 32.526 -0.626 1
1 626 . 3 1 1 A 48 48 ALA H H 48 8.550 8.684 -0.134 1
1 627 . 3 1 1 A 48 48 ALA HA H 48 3.550 3.983 -0.433 1
1 631 . 3 1 1 A 48 48 ALA C C 48 179.200 179.385 -0.185 1
1 632 . 3 1 1 A 48 48 ALA CA C 48 55.200 54.781 0.419 1
1 633 . 3 1 1 A 48 48 ALA CB C 48 17.700 18.161 -0.461 1
1 634 . 3 1 1 A 48 48 ALA N N 48 130.100 127.013 3.087 1
1 635 . 3 1 1 A 49 49 GLU H H 49 8.700 8.031 0.669 1
1 636 . 3 1 1 A 49 49 GLU HA H 49 4.180 4.206 -0.026 1
1 641 . 3 1 1 A 49 49 GLU C C 49 179.800 177.685 2.115 1
1 642 . 3 1 1 A 49 49 GLU CA C 49 58.200 58.443 -0.243 1
1 643 . 3 1 1 A 49 49 GLU CB C 49 28.200 29.211 -1.011 1
1 645 . 3 1 1 A 49 49 GLU N N 49 114.900 117.696 -2.796 1
1 646 . 3 1 1 A 50 50 LYS H H 50 7.910 7.793 0.117 1
1 647 . 3 1 1 A 50 50 LYS HA H 50 4.060 4.156 -0.096 1
1 656 . 3 1 1 A 50 50 LYS C C 50 178.100 177.830 0.270 1
1 657 . 3 1 1 A 50 50 LYS CA C 50 56.900 57.404 -0.504 1
1 658 . 3 1 1 A 50 50 LYS CB C 50 31.700 32.367 -0.667 1
1 662 . 3 1 1 A 50 50 LYS N N 50 118.100 118.706 -0.606 1
1 663 . 3 1 1 A 51 51 ILE H H 51 7.190 7.197 -0.007 1
1 664 . 3 1 1 A 51 51 ILE HA H 51 4.490 4.103 0.387 1
1 674 . 3 1 1 A 51 51 ILE C C 51 175.300 176.518 -1.218 1
1 675 . 3 1 1 A 51 51 ILE CA C 51 60.100 59.744 0.356 1
1 676 . 3 1 1 A 51 51 ILE CB C 51 37.400 37.301 0.099 1
1 680 . 3 1 1 A 51 51 ILE N N 51 109.000 112.618 -3.618 1
1 681 . 3 1 1 A 52 52 GLY H H 52 7.370 7.913 -0.543 1
1 682 . 3 1 1 A 52 52 GLY HA2 H 52 4.050 3.911 0.139 1
1 683 . 3 1 1 A 52 52 GLY HA3 H 52 3.730 3.913 -0.183 1
1 684 . 3 1 1 A 52 52 GLY C C 52 174.200 173.979 0.221 1
1 685 . 3 1 1 A 52 52 GLY CA C 52 46.100 44.982 1.118 1
1 686 . 3 1 1 A 52 52 GLY N N 52 106.900 110.560 -3.660 1
1 687 . 3 1 1 A 53 53 ILE H H 53 7.260 6.927 0.333 1
1 688 . 3 1 1 A 53 53 ILE HA H 53 4.040 4.059 -0.019 1
1 698 . 3 1 1 A 53 53 ILE C C 53 174.700 175.323 -0.623 1
1 699 . 3 1 1 A 53 53 ILE CA C 53 60.500 60.471 0.029 1
1 700 . 3 1 1 A 53 53 ILE CB C 53 38.700 37.259 1.441 1
1 704 . 3 1 1 A 53 53 ILE N N 53 121.900 122.129 -0.229 1
1 705 . 3 1 1 A 54 54 ASN H H 54 8.280 8.823 -0.543 1
1 706 . 3 1 1 A 54 54 ASN HA H 54 4.540 4.791 -0.251 1
1 711 . 3 1 1 A 54 54 ASN C C 54 175.400 176.172 -0.772 1
1 712 . 3 1 1 A 54 54 ASN CA C 54 53.700 52.261 1.439 1
1 713 . 3 1 1 A 54 54 ASN CB C 54 39.000 38.348 0.652 1
1 715 . 3 1 1 A 54 54 ASN N N 54 123.300 125.595 -2.295 1
1 717 . 3 1 1 A 55 55 GLY H H 55 8.240 8.564 -0.324 1
1 718 . 3 1 1 A 55 55 GLY HA2 H 55 4.230 4.120 0.110 1
1 719 . 3 1 1 A 55 55 GLY HA3 H 55 3.740 4.123 -0.383 1
1 720 . 3 1 1 A 55 55 GLY C C 55 173.200 174.529 -1.329 1
1 721 . 3 1 1 A 55 55 GLY CA C 55 44.800 45.381 -0.581 1
1 722 . 3 1 1 A 55 55 GLY N N 55 110.200 113.592 -3.392 1
1 723 . 3 1 1 A 56 56 ASP H H 56 8.320 8.147 0.173 1
1 724 . 3 1 1 A 56 56 ASP HA H 56 4.700 4.316 0.384 1
1 727 . 3 1 1 A 56 56 ASP C C 56 175.800 175.653 0.147 1
1 728 . 3 1 1 A 56 56 ASP CA C 56 53.400 54.979 -1.579 1
1 729 . 3 1 1 A 56 56 ASP CB C 56 40.500 38.598 1.902 1
1 730 . 3 1 1 A 56 56 ASP N N 56 119.000 117.410 1.590 1
1 731 . 3 1 1 A 57 57 LYS H H 57 7.780 7.734 0.046 1
1 732 . 3 1 1 A 57 57 LYS HA H 57 4.400 4.677 -0.277 1
1 741 . 3 1 1 A 57 57 LYS C C 57 175.700 176.331 -0.631 1
1 742 . 3 1 1 A 57 57 LYS CA C 57 55.600 55.569 0.031 1
1 743 . 3 1 1 A 57 57 LYS CB C 57 33.700 33.929 -0.229 1
1 747 . 3 1 1 A 57 57 LYS N N 57 119.500 117.757 1.743 1
1 748 . 3 1 1 A 58 58 ARG H H 58 8.410 8.544 -0.134 1
1 749 . 3 1 1 A 58 58 ARG HA H 58 4.740 4.573 0.167 1
1 757 . 3 1 1 A 58 58 ARG C C 58 176.200 176.232 -0.032 1
1 758 . 3 1 1 A 58 58 ARG CA C 58 55.300 56.089 -0.789 1
1 759 . 3 1 1 A 58 58 ARG CB C 58 31.700 30.765 0.935 1
1 763 . 3 1 1 A 58 58 ARG N N 58 120.900 123.010 -2.110 1
1 765 . 3 1 1 A 59 59 VAL H H 59 9.030 8.522 0.508 1
1 766 . 3 1 1 A 59 59 VAL HA H 59 4.570 4.879 -0.309 1
1 774 . 3 1 1 A 59 59 VAL C C 59 173.900 174.202 -0.302 1
1 775 . 3 1 1 A 59 59 VAL CA C 59 58.700 58.466 0.234 1
1 776 . 3 1 1 A 59 59 VAL CB C 59 34.700 35.665 -0.965 1
1 779 . 3 1 1 A 59 59 VAL N N 59 115.600 118.298 -2.698 1
1 780 . 3 1 1 A 60 60 ASP H H 60 8.290 8.427 -0.137 1
1 781 . 3 1 1 A 60 60 ASP HA H 60 5.560 5.346 0.214 1
1 784 . 3 1 1 A 60 60 ASP C C 60 175.800 175.848 -0.048 1
1 785 . 3 1 1 A 60 60 ASP CA C 60 53.600 54.099 -0.499 1
1 786 . 3 1 1 A 60 60 ASP CB C 60 43.100 42.037 1.063 1
1 787 . 3 1 1 A 60 60 ASP N N 60 120.700 121.198 -0.498 1
1 788 . 3 1 1 A 61 61 VAL H H 61 9.080 8.660 0.420 1
1 789 . 3 1 1 A 61 61 VAL HA H 61 5.150 5.190 -0.040 1
1 797 . 3 1 1 A 61 61 VAL C C 61 173.800 174.379 -0.579 1
1 798 . 3 1 1 A 61 61 VAL CA C 61 57.600 58.986 -1.386 1
1 799 . 3 1 1 A 61 61 VAL CB C 61 35.500 35.932 -0.432 1
1 802 . 3 1 1 A 61 61 VAL N N 61 115.200 117.575 -2.375 1
1 803 . 3 1 1 A 62 62 ILE H H 62 8.530 8.432 0.098 1
1 804 . 3 1 1 A 62 62 ILE HA H 62 5.550 5.109 0.441 1
1 814 . 3 1 1 A 62 62 ILE CA C 62 57.800 58.298 -0.498 1
1 815 . 3 1 1 A 62 62 ILE CB C 62 41.700 41.716 -0.016 1
1 819 . 3 1 1 A 62 62 ILE N N 62 112.000 120.811 -8.811 1
1 820 . 3 1 1 A 64 64 LEU HA H 64 4.960 5.113 -0.153 1
1 830 . 3 1 1 A 64 64 LEU C C 64 173.100 174.313 -1.213 1
1 831 . 3 1 1 A 64 64 LEU CA C 64 53.500 54.096 -0.596 1
1 832 . 3 1 1 A 64 64 LEU CB C 64 47.000 46.181 0.819 1
1 836 . 3 1 1 A 65 65 LYS H H 65 8.470 9.179 -0.709 1
1 837 . 3 1 1 A 65 65 LYS HA H 65 3.760 5.327 -1.567 1
1 846 . 3 1 1 A 65 65 LYS C C 65 175.100 176.315 -1.215 1
1 847 . 3 1 1 A 65 65 LYS CA C 65 55.700 55.878 -0.178 1
1 848 . 3 1 1 A 65 65 LYS CB C 65 33.600 33.763 -0.163 1
1 852 . 3 1 1 A 65 65 LYS N N 65 126.700 129.035 -2.335 1
1 853 . 3 1 1 A 66 66 VAL H H 66 7.840 8.584 -0.744 1
1 854 . 3 1 1 A 66 66 VAL HA H 66 4.410 4.934 -0.524 1
1 862 . 3 1 1 A 66 66 VAL C C 66 175.300 174.853 0.447 1
1 863 . 3 1 1 A 66 66 VAL CA C 66 58.300 58.714 -0.414 1
1 864 . 3 1 1 A 66 66 VAL CB C 66 36.400 35.885 0.515 1
1 867 . 3 1 1 A 66 66 VAL N N 66 116.000 119.425 -3.425 1
1 868 . 3 1 1 A 67 67 GLN H H 67 8.620 8.587 0.033 1
1 869 . 3 1 1 A 67 67 GLN HA H 67 4.350 4.562 -0.212 1
1 876 . 3 1 1 A 67 67 GLN CA C 67 54.900 54.264 0.636 1
1 877 . 3 1 1 A 67 67 GLN CB C 67 27.600 28.265 -0.665 1
1 880 . 3 1 1 A 67 67 GLN N N 67 123.000 120.771 2.229 1
1 882 . 3 1 1 A 68 68 PRO HA H 68 4.200 4.356 -0.156 1
1 889 . 3 1 1 A 68 68 PRO C C 68 179.400 177.447 1.953 1
1 890 . 3 1 1 A 68 68 PRO CA C 68 65.100 64.452 0.648 1
1 891 . 3 1 1 A 68 68 PRO CB C 68 31.700 31.873 -0.173 1
1 894 . 3 1 1 A 69 69 GLU H H 69 9.620 8.447 1.173 1
1 895 . 3 1 1 A 69 69 GLU HA H 69 4.190 4.285 -0.095 1
1 900 . 3 1 1 A 69 69 GLU C C 69 177.100 177.724 -0.624 1
1 901 . 3 1 1 A 69 69 GLU CA C 69 58.600 57.780 0.820 1
1 902 . 3 1 1 A 69 69 GLU CB C 69 28.100 29.935 -1.835 1
1 904 . 3 1 1 A 69 69 GLU N N 69 116.900 116.965 -0.065 1
1 905 . 3 1 1 A 70 70 LEU H H 70 7.940 7.813 0.127 1
1 906 . 3 1 1 A 70 70 LEU HA H 70 4.460 4.384 0.076 1
1 916 . 3 1 1 A 70 70 LEU C C 70 177.600 177.963 -0.363 1
1 917 . 3 1 1 A 70 70 LEU CA C 70 54.500 55.029 -0.529 1
1 918 . 3 1 1 A 70 70 LEU CB C 70 42.800 42.256 0.544 1
1 922 . 3 1 1 A 70 70 LEU N N 70 118.700 118.515 0.185 1
1 923 . 3 1 1 A 71 71 VAL H H 71 7.080 7.500 -0.420 1
1 924 . 3 1 1 A 71 71 VAL HA H 71 3.210 3.782 -0.572 1
1 932 . 3 1 1 A 71 71 VAL C C 71 176.800 177.756 -0.956 1
1 933 . 3 1 1 A 71 71 VAL CA C 71 67.700 66.010 1.690 1
1 934 . 3 1 1 A 71 71 VAL CB C 71 32.000 31.170 0.830 1
1 937 . 3 1 1 A 71 71 VAL N N 71 120.300 120.002 0.298 1
1 938 . 3 1 1 A 72 72 GLY H H 72 8.540 8.224 0.316 1
1 939 . 3 1 1 A 72 72 GLY HA2 H 72 3.770 3.770 0.000 1
1 940 . 3 1 1 A 72 72 GLY HA3 H 72 3.630 3.771 -0.141 1
1 941 . 3 1 1 A 72 72 GLY C C 72 176.300 176.638 -0.338 1
1 942 . 3 1 1 A 72 72 GLY CA C 72 47.000 47.560 -0.560 1
1 943 . 3 1 1 A 72 72 GLY N N 72 105.300 109.277 -3.977 1
1 944 . 3 1 1 A 73 73 SER H H 73 7.870 8.023 -0.153 1
1 945 . 3 1 1 A 73 73 SER HA H 73 4.170 4.254 -0.084 1
1 948 . 3 1 1 A 73 73 SER C C 73 178.000 175.920 2.080 1
1 949 . 3 1 1 A 73 73 SER CA C 73 60.600 62.677 -2.077 1
1 950 . 3 1 1 A 73 73 SER CB C 73 62.700 63.056 -0.356 1
1 951 . 3 1 1 A 73 73 SER N N 73 115.700 119.808 -4.108 1
1 952 . 3 1 1 A 74 74 LEU H H 74 8.340 7.766 0.574 1
1 953 . 3 1 1 A 74 74 LEU HA H 74 4.000 4.080 -0.080 1
1 963 . 3 1 1 A 74 74 LEU C C 74 178.400 178.280 0.120 1
1 964 . 3 1 1 A 74 74 LEU CA C 74 57.900 57.713 0.187 1
1 965 . 3 1 1 A 74 74 LEU CB C 74 41.700 41.861 -0.161 1
1 969 . 3 1 1 A 74 74 LEU N N 74 124.600 121.956 2.644 1
1 970 . 3 1 1 A 75 75 ARG H H 75 7.850 8.381 -0.531 1
1 971 . 3 1 1 A 75 75 ARG HA H 75 3.750 4.055 -0.305 1
1 979 . 3 1 1 A 75 75 ARG C C 75 176.500 178.289 -1.789 1
1 980 . 3 1 1 A 75 75 ARG CA C 75 57.800 58.672 -0.872 1
1 981 . 3 1 1 A 75 75 ARG CB C 75 29.500 29.784 -0.284 1
1 985 . 3 1 1 A 75 75 ARG N N 75 113.300 118.624 -5.324 1
1 987 . 3 1 1 A 76 76 LYS H H 76 7.100 7.422 -0.322 1
1 988 . 3 1 1 A 76 76 LYS HA H 76 4.210 4.051 0.159 1
1 997 . 3 1 1 A 76 76 LYS C C 76 177.000 177.202 -0.202 1
1 998 . 3 1 1 A 76 76 LYS CA C 76 56.500 59.086 -2.586 1
1 999 . 3 1 1 A 76 76 LYS CB C 76 32.700 32.008 0.692 1
1 1003 . 3 1 1 A 76 76 LYS N N 76 116.600 119.087 -2.487 1
1 1004 . 3 1 1 A 77 77 LYS H H 77 7.830 7.125 0.705 1
1 1005 . 3 1 1 A 77 77 LYS HA H 77 4.470 4.386 0.084 1
1 1014 . 3 1 1 A 77 77 LYS CA C 77 54.500 54.933 -0.433 1
1 1015 . 3 1 1 A 77 77 LYS CB C 77 31.800 31.711 0.089 1
1 1019 . 3 1 1 A 77 77 LYS N N 77 122.900 120.298 2.602 1
1 1020 . 3 1 1 A 78 78 PRO HA H 78 4.190 4.183 0.007 1
1 1027 . 3 1 1 A 78 78 PRO C C 78 176.600 177.191 -0.591 1
1 1028 . 3 1 1 A 78 78 PRO CA C 78 63.700 63.548 0.152 1
1 1029 . 3 1 1 A 78 78 PRO CB C 78 31.900 31.816 0.084 1
1 1032 . 3 1 1 A 79 79 GLY H H 79 8.290 8.627 -0.337 1
1 1033 . 3 1 1 A 79 79 GLY HA2 H 79 4.350 3.869 0.481 1
1 1034 . 3 1 1 A 79 79 GLY HA3 H 79 3.590 3.877 -0.287 1
1 1035 . 3 1 1 A 79 79 GLY C C 79 172.000 174.063 -2.063 1
1 1036 . 3 1 1 A 79 79 GLY CA C 79 45.500 45.197 0.303 1
1 1037 . 3 1 1 A 79 79 GLY N N 79 109.300 110.863 -1.563 1
1 1038 . 3 1 1 A 80 80 ILE H H 80 7.300 7.032 0.268 1
1 1039 . 3 1 1 A 80 80 ILE HA H 80 4.770 4.070 0.700 1
1 1049 . 3 1 1 A 80 80 ILE C C 80 174.200 175.097 -0.897 1
1 1050 . 3 1 1 A 80 80 ILE CA C 80 60.500 61.184 -0.684 1
1 1051 . 3 1 1 A 80 80 ILE CB C 80 37.000 37.865 -0.865 1
1 1055 . 3 1 1 A 80 80 ILE N N 80 119.200 122.103 -2.903 1
1 1056 . 3 1 1 A 81 81 TYR H H 81 9.490 8.562 0.928 1
1 1057 . 3 1 1 A 81 81 TYR HA H 81 4.840 4.963 -0.123 1
1 1064 . 3 1 1 A 81 81 TYR CA C 81 56.800 55.806 0.994 1
1 1065 . 3 1 1 A 81 81 TYR CB C 81 39.800 40.612 -0.812 1
1 1070 . 3 1 1 A 81 81 TYR N N 81 126.100 126.546 -0.446 1
1 1071 . 3 1 1 A 82 82 PRO HA H 82 4.610 4.553 0.057 1
1 1078 . 3 1 1 A 82 82 PRO CA C 82 62.300 62.959 -0.659 1
1 1079 . 3 1 1 A 82 82 PRO CB C 82 32.000 32.168 -0.168 1
1 1082 . 3 1 1 A 83 83 ALA HA H 83 4.140 4.634 -0.494 1
1 1086 . 3 1 1 A 84 84 TYR HA H 84 4.470 4.494 -0.024 1
1 1093 . 3 1 1 A 84 84 TYR CA C 84 57.500 58.206 -0.706 1
1 1094 . 3 1 1 A 84 84 TYR CB C 84 39.500 38.305 1.195 1
1 1099 . 3 1 1 A 87 87 ASN HA H 87 4.410 4.251 0.159 1
1 1104 . 3 1 1 A 87 87 ASN C C 87 176.500 175.573 0.927 1
1 1105 . 3 1 1 A 87 87 ASN CA C 87 55.100 55.541 -0.441 1
1 1106 . 3 1 1 A 87 87 ASN CB C 87 40.600 37.959 2.641 1
1 1109 . 3 1 1 A 88 88 LYS H H 88 8.710 7.995 0.715 1
1 1110 . 3 1 1 A 88 88 LYS HA H 88 4.320 4.125 0.195 1
1 1119 . 3 1 1 A 88 88 LYS C C 88 177.600 176.475 1.125 1
1 1120 . 3 1 1 A 88 88 LYS CA C 88 58.100 57.887 0.213 1
1 1121 . 3 1 1 A 88 88 LYS CB C 88 33.000 32.293 0.707 1
1 1125 . 3 1 1 A 88 88 LYS N N 88 123.800 118.722 5.078 1
1 1126 . 3 1 1 A 89 89 GLU H H 89 8.390 8.856 -0.466 1
1 1127 . 3 1 1 A 89 89 GLU HA H 89 4.270 4.341 -0.071 1
1 1132 . 3 1 1 A 89 89 GLU C C 89 176.500 178.729 -2.229 1
1 1133 . 3 1 1 A 89 89 GLU CA C 89 57.800 58.378 -0.578 1
1 1134 . 3 1 1 A 89 89 GLU CB C 89 30.100 30.521 -0.421 1
1 1136 . 3 1 1 A 89 89 GLU N N 89 117.000 118.262 -1.262 1
1 1137 . 3 1 1 A 90 90 HIS H H 90 7.600 7.748 -0.148 1
1 1138 . 3 1 1 A 90 90 HIS HA H 90 4.580 4.338 0.242 1
1 1142 . 3 1 1 A 90 90 HIS C C 90 170.800 175.150 -4.350 1
1 1143 . 3 1 1 A 90 90 HIS CA C 90 55.500 58.473 -2.973 1
1 1144 . 3 1 1 A 90 90 HIS CB C 90 32.200 29.225 2.975 1
1 1145 . 3 1 1 A 90 90 HIS N N 90 111.500 116.857 -5.357 1
1 1146 . 3 1 1 A 91 91 TRP H H 91 7.650 7.534 0.116 1
1 1147 . 3 1 1 A 91 91 TRP HA H 91 5.610 5.444 0.166 1
1 1156 . 3 1 1 A 91 91 TRP C C 91 174.600 175.408 -0.808 1
1 1157 . 3 1 1 A 91 91 TRP CA C 91 55.500 55.949 -0.449 1
1 1158 . 3 1 1 A 91 91 TRP CB C 91 31.700 32.550 -0.850 1
1 1163 . 3 1 1 A 91 91 TRP N N 91 117.400 116.501 0.899 1
1 1165 . 3 1 1 A 92 92 ILE H H 92 9.100 8.716 0.384 1
1 1166 . 3 1 1 A 92 92 ILE HA H 92 4.630 4.801 -0.171 1
1 1176 . 3 1 1 A 92 92 ILE C C 92 174.500 174.786 -0.286 1
1 1177 . 3 1 1 A 92 92 ILE CA C 92 59.800 60.014 -0.214 1
1 1178 . 3 1 1 A 92 92 ILE CB C 92 42.500 42.118 0.382 1
1 1182 . 3 1 1 A 92 92 ILE N N 92 111.700 122.459 -10.759 1
1 1183 . 3 1 1 A 93 93 THR H H 93 8.570 8.544 0.026 1
1 1184 . 3 1 1 A 93 93 THR HA H 93 4.250 5.067 -0.817 1
1 1190 . 3 1 1 A 93 93 THR CA C 93 61.800 62.119 -0.319 1
1 1191 . 3 1 1 A 93 93 THR CB C 93 70.200 70.506 -0.306 1
1 1193 . 3 1 1 A 93 93 THR N N 93 117.600 120.620 -3.020 1
1 1194 . 3 1 1 A 94 94 VAL HA H 94 4.680 4.881 -0.201 1
1 1202 . 3 1 1 A 94 94 VAL C C 94 175.400 174.718 0.682 1
1 1203 . 3 1 1 A 94 94 VAL CA C 94 60.700 60.685 0.015 1
1 1204 . 3 1 1 A 94 94 VAL CB C 94 34.100 34.510 -0.410 1
1 1207 . 3 1 1 A 95 95 LEU H H 95 8.080 8.621 -0.541 1
1 1208 . 3 1 1 A 95 95 LEU HA H 95 4.330 4.620 -0.290 1
1 1218 . 3 1 1 A 95 95 LEU C C 95 176.400 176.100 0.300 1
1 1219 . 3 1 1 A 95 95 LEU CA C 95 55.000 54.533 0.467 1
1 1220 . 3 1 1 A 95 95 LEU CB C 95 44.300 42.069 2.231 1
1 1224 . 3 1 1 A 95 95 LEU N N 95 127.500 127.798 -0.298 1
1 1225 . 3 1 1 A 96 96 LEU H H 96 8.050 8.398 -0.348 1
1 1226 . 3 1 1 A 96 96 LEU HA H 96 4.150 4.011 0.139 1
1 1236 . 3 1 1 A 96 96 LEU C C 96 177.400 178.542 -1.142 1
1 1237 . 3 1 1 A 96 96 LEU CA C 96 56.500 58.176 -1.676 1
1 1238 . 3 1 1 A 96 96 LEU CB C 96 40.500 41.470 -0.970 1
1 1242 . 3 1 1 A 96 96 LEU N N 96 128.100 127.177 0.923 1
1 1243 . 3 1 1 A 97 97 ASN H H 97 8.690 8.081 0.609 1
1 1244 . 3 1 1 A 97 97 ASN HA H 97 4.740 4.610 0.130 1
1 1249 . 3 1 1 A 97 97 ASN C C 97 174.900 176.687 -1.787 1
1 1250 . 3 1 1 A 97 97 ASN CA C 97 53.000 55.439 -2.439 1
1 1251 . 3 1 1 A 97 97 ASN CB C 97 37.700 38.675 -0.975 1
1 1252 . 3 1 1 A 97 97 ASN N N 97 117.200 116.217 0.983 1
1 1254 . 3 1 1 A 98 98 GLY H H 98 7.820 8.054 -0.234 1
1 1255 . 3 1 1 A 98 98 GLY HA2 H 98 4.470 4.109 0.361 1
1 1256 . 3 1 1 A 98 98 GLY HA3 H 98 3.740 4.120 -0.380 1
1 1257 . 3 1 1 A 98 98 GLY C C 98 174.900 174.579 0.321 1
1 1258 . 3 1 1 A 98 98 GLY CA C 98 44.900 44.506 0.394 1
1 1259 . 3 1 1 A 98 98 GLY N N 98 108.600 107.264 1.336 1
1 1260 . 3 1 1 A 99 99 PRO HA H 99 4.380 4.545 -0.165 1
1 1267 . 3 1 1 A 99 99 PRO C C 99 177.400 176.403 0.997 1
1 1268 . 3 1 1 A 99 99 PRO CA C 99 63.900 63.854 0.046 1
1 1269 . 3 1 1 A 99 99 PRO CB C 99 32.400 31.687 0.713 1
1 1272 . 3 1 1 A 100 100 LEU H H 100 7.750 7.670 0.080 1
1 1273 . 3 1 1 A 100 100 LEU HA H 100 4.280 4.637 -0.357 1
1 1283 . 3 1 1 A 100 100 LEU C C 100 177.400 177.024 0.376 1
1 1284 . 3 1 1 A 100 100 LEU CA C 100 55.800 53.765 2.035 1
1 1285 . 3 1 1 A 100 100 LEU CB C 100 42.600 42.836 -0.236 1
1 1289 . 3 1 1 A 100 100 LEU N N 100 120.300 115.398 4.902 1
1 1290 . 3 1 1 A 101 101 GLY H H 101 8.620 8.390 0.230 1
1 1291 . 3 1 1 A 101 101 GLY HA2 H 101 4.110 4.206 -0.096 1
1 1292 . 3 1 1 A 101 101 GLY HA3 H 101 3.890 4.209 -0.319 1
1 1293 . 3 1 1 A 101 101 GLY C C 101 173.600 174.603 -1.003 1
1 1294 . 3 1 1 A 101 101 GLY CA C 101 44.300 43.888 0.412 1
1 1295 . 3 1 1 A 101 101 GLY N N 101 110.600 107.897 2.703 1
1 1296 . 3 1 1 A 102 102 ALA H H 102 8.310 8.825 -0.515 1
1 1297 . 3 1 1 A 102 102 ALA HA H 102 3.520 3.818 -0.298 1
1 1301 . 3 1 1 A 102 102 ALA C C 102 178.900 179.761 -0.861 1
1 1302 . 3 1 1 A 102 102 ALA CA C 102 55.400 54.514 0.886 1
1 1303 . 3 1 1 A 102 102 ALA CB C 102 18.600 18.189 0.411 1
1 1304 . 3 1 1 A 102 102 ALA N N 102 122.000 122.645 -0.645 1
1 1305 . 3 1 1 A 103 103 LYS H H 103 8.360 8.108 0.252 1
1 1306 . 3 1 1 A 103 103 LYS HA H 103 3.730 4.166 -0.436 1
1 1315 . 3 1 1 A 103 103 LYS C C 103 179.400 179.814 -0.414 1
1 1316 . 3 1 1 A 103 103 LYS CA C 103 60.000 59.739 0.261 1
1 1317 . 3 1 1 A 103 103 LYS CB C 103 31.900 32.304 -0.404 1
1 1321 . 3 1 1 A 103 103 LYS N N 103 116.500 117.840 -1.340 1
1 1322 . 3 1 1 A 104 104 GLU H H 104 7.890 7.996 -0.106 1
1 1323 . 3 1 1 A 104 104 GLU HA H 104 4.080 4.067 0.013 1
1 1328 . 3 1 1 A 104 104 GLU C C 104 179.300 179.580 -0.280 1
1 1329 . 3 1 1 A 104 104 GLU CA C 104 59.500 59.017 0.483 1
1 1330 . 3 1 1 A 104 104 GLU CB C 104 29.100 29.615 -0.515 1
1 1332 . 3 1 1 A 104 104 GLU N N 104 120.000 120.082 -0.082 1
1 1333 . 3 1 1 A 105 105 ILE H H 105 8.170 7.512 0.658 1
1 1334 . 3 1 1 A 105 105 ILE HA H 105 3.520 3.651 -0.131 1
1 1344 . 3 1 1 A 105 105 ILE C C 105 178.100 178.004 0.096 1
1 1345 . 3 1 1 A 105 105 ILE CA C 105 66.700 65.266 1.434 1
1 1346 . 3 1 1 A 105 105 ILE CB C 105 37.700 37.592 0.108 1
1 1350 . 3 1 1 A 105 105 ILE N N 105 119.500 120.679 -1.179 1
1 1351 . 3 1 1 A 106 106 HIS H H 106 8.930 8.288 0.642 1
1 1352 . 3 1 1 A 106 106 HIS HA H 106 4.230 4.207 0.023 1
1 1356 . 3 1 1 A 106 106 HIS C C 106 178.000 177.884 0.116 1
1 1357 . 3 1 1 A 106 106 HIS CA C 106 57.600 59.696 -2.096 1
1 1358 . 3 1 1 A 106 106 HIS CB C 106 28.400 29.404 -1.004 1
1 1360 . 3 1 1 A 106 106 HIS N N 106 116.700 120.179 -3.479 1
1 1361 . 3 1 1 A 107 107 SER H H 107 8.060 8.228 -0.168 1
1 1362 . 3 1 1 A 107 107 SER HA H 107 4.310 4.222 0.088 1
1 1365 . 3 1 1 A 107 107 SER C C 107 175.900 177.851 -1.951 1
1 1366 . 3 1 1 A 107 107 SER CA C 107 62.200 61.767 0.433 1
1 1367 . 3 1 1 A 107 107 SER CB C 107 62.500 62.365 0.135 1
1 1368 . 3 1 1 A 107 107 SER N N 107 117.000 116.194 0.806 1
1 1369 . 3 1 1 A 108 108 LEU H H 108 7.950 8.131 -0.181 1
1 1370 . 3 1 1 A 108 108 LEU HA H 108 4.180 4.035 0.145 1
1 1380 . 3 1 1 A 108 108 LEU C C 108 180.600 179.055 1.545 1
1 1381 . 3 1 1 A 108 108 LEU CA C 108 57.900 57.902 -0.002 1
1 1382 . 3 1 1 A 108 108 LEU CB C 108 42.500 41.787 0.713 1
1 1386 . 3 1 1 A 108 108 LEU N N 108 121.800 122.680 -0.880 1
1 1387 . 3 1 1 A 109 109 ILE H H 109 8.730 8.420 0.310 1
1 1388 . 3 1 1 A 109 109 ILE HA H 109 3.830 3.544 0.286 1
1 1398 . 3 1 1 A 109 109 ILE C C 109 176.800 178.175 -1.375 1
1 1399 . 3 1 1 A 109 109 ILE CA C 109 65.800 65.969 -0.169 1
1 1400 . 3 1 1 A 109 109 ILE CB C 109 38.600 37.930 0.670 1
1 1404 . 3 1 1 A 109 109 ILE N N 109 120.200 120.014 0.186 1
1 1405 . 3 1 1 A 110 110 GLU H H 110 7.960 8.397 -0.437 1
1 1406 . 3 1 1 A 110 110 GLU HA H 110 4.280 3.961 0.319 1
1 1411 . 3 1 1 A 110 110 GLU C C 110 178.500 178.467 0.033 1
1 1412 . 3 1 1 A 110 110 GLU CA C 110 58.800 59.892 -1.092 1
1 1413 . 3 1 1 A 110 110 GLU CB C 110 28.200 29.080 -0.880 1
1 1415 . 3 1 1 A 110 110 GLU N N 110 120.800 121.446 -0.646 1
1 1416 . 3 1 1 A 111 111 ASP H H 111 8.290 7.948 0.342 1
1 1417 . 3 1 1 A 111 111 ASP HA H 111 4.470 4.480 -0.010 1
1 1420 . 3 1 1 A 111 111 ASP C C 111 178.200 178.678 -0.478 1
1 1421 . 3 1 1 A 111 111 ASP CA C 111 57.100 57.163 -0.063 1
1 1422 . 3 1 1 A 111 111 ASP CB C 111 39.300 40.322 -1.022 1
1 1423 . 3 1 1 A 111 111 ASP N N 111 119.200 120.665 -1.465 1
1 1424 . 3 1 1 A 112 112 SER H H 112 7.800 8.164 -0.364 1
1 1425 . 3 1 1 A 112 112 SER HA H 112 4.200 4.251 -0.051 1
1 1428 . 3 1 1 A 112 112 SER C C 112 178.600 176.518 2.082 1
1 1429 . 3 1 1 A 112 112 SER CA C 112 61.200 61.376 -0.176 1
1 1430 . 3 1 1 A 112 112 SER CB C 112 64.200 62.460 1.740 1
1 1431 . 3 1 1 A 112 112 SER N N 112 114.700 114.671 0.029 1
1 1432 . 3 1 1 A 113 113 PHE H H 113 9.160 8.379 0.781 1
1 1433 . 3 1 1 A 113 113 PHE HA H 113 3.210 4.072 -0.862 1
1 1436 . 3 1 1 A 113 113 PHE C C 113 178.100 178.018 0.082 1
1 1437 . 3 1 1 A 113 113 PHE CA C 113 62.900 61.479 1.421 1
1 1438 . 3 1 1 A 113 113 PHE CB C 113 39.100 39.431 -0.331 1
1 1439 . 3 1 1 A 113 113 PHE N N 113 121.400 124.014 -2.614 1
1 1440 . 3 1 1 A 114 114 GLN H H 114 8.870 7.990 0.880 1
1 1441 . 3 1 1 A 114 114 GLN HA H 114 4.000 3.827 0.173 1
1 1448 . 3 1 1 A 114 114 GLN C C 114 179.700 179.139 0.561 1
1 1449 . 3 1 1 A 114 114 GLN CA C 114 58.300 58.804 -0.504 1
1 1450 . 3 1 1 A 114 114 GLN CB C 114 27.600 28.067 -0.467 1
1 1453 . 3 1 1 A 114 114 GLN N N 114 116.800 118.198 -1.398 1
1 1455 . 3 1 1 A 115 115 LEU H H 115 8.570 7.831 0.739 1
1 1456 . 3 1 1 A 115 115 LEU HA H 115 4.090 3.984 0.106 1
1 1466 . 3 1 1 A 115 115 LEU C C 115 178.600 177.949 0.651 1
1 1467 . 3 1 1 A 115 115 LEU CA C 115 57.300 57.801 -0.501 1
1 1468 . 3 1 1 A 115 115 LEU CB C 115 43.200 41.964 1.236 1
1 1472 . 3 1 1 A 115 115 LEU N N 115 119.800 120.080 -0.280 1
1 1473 . 3 1 1 A 116 116 THR H H 116 7.240 7.502 -0.262 1
1 1474 . 3 1 1 A 116 116 THR HA H 116 4.270 4.392 -0.122 1
1 1480 . 3 1 1 A 116 116 THR C C 116 173.200 174.289 -1.089 1
1 1481 . 3 1 1 A 116 116 THR CA C 116 60.700 61.389 -0.689 1
1 1482 . 3 1 1 A 116 116 THR CB C 116 70.800 69.226 1.574 1
1 1484 . 3 1 1 A 116 116 THR N N 116 104.900 105.449 -0.549 1
1 1485 . 3 1 1 A 117 117 ARG H H 117 6.840 6.995 -0.155 1
1 1486 . 3 1 1 A 117 117 ARG HA H 117 3.060 3.376 -0.316 1
1 1494 . 3 1 1 A 117 117 ARG C C 117 175.200 176.644 -1.444 1
1 1495 . 3 1 1 A 117 117 ARG CA C 117 55.900 56.721 -0.821 1
1 1496 . 3 1 1 A 117 117 ARG CB C 117 31.100 30.401 0.699 1
1 1500 . 3 1 1 A 117 117 ARG N N 117 120.900 123.076 -2.176 1
1 1502 . 3 1 1 A 118 118 LEU H H 118 8.380 8.425 -0.045 1
1 1503 . 3 1 1 A 118 118 LEU HA H 118 4.100 4.451 -0.351 1
1 1513 . 3 1 1 A 118 118 LEU C C 118 176.500 177.052 -0.552 1
1 1514 . 3 1 1 A 118 118 LEU CA C 118 55.300 54.840 0.460 1
1 1515 . 3 1 1 A 118 118 LEU CB C 118 42.400 41.819 0.581 1
1 1519 . 3 1 1 A 118 118 LEU N N 118 122.600 122.788 -0.188 1
1 1520 . 3 1 1 A 119 119 GLU H H 119 8.330 7.810 0.520 1
1 1521 . 3 1 1 A 119 119 GLU HA H 119 4.160 4.288 -0.128 1
1 1526 . 3 1 1 A 119 119 GLU C C 119 175.800 175.944 -0.144 1
1 1527 . 3 1 1 A 119 119 GLU CA C 119 56.000 57.300 -1.300 1
1 1528 . 3 1 1 A 119 119 GLU CB C 119 30.300 30.296 0.004 1
1 1530 . 3 1 1 A 119 119 GLU N N 119 124.000 120.928 3.072 1
1 1531 . 3 1 1 A 120 120 HIS H H 120 8.520 8.184 0.336 1
1 1532 . 3 1 1 A 120 120 HIS HA H 120 4.620 4.830 -0.210 1
1 1535 . 3 1 1 A 120 120 HIS C C 120 174.000 174.034 -0.034 1
1 1536 . 3 1 1 A 120 120 HIS CA C 120 55.300 55.371 -0.071 1
1 1537 . 3 1 1 A 120 120 HIS CB C 120 29.300 31.924 -2.624 1
1 1538 . 3 1 1 A 120 120 HIS N N 120 120.100 121.205 -1.105 1
1 1539 . 3 1 1 A 121 121 HIS H H 121 8.580 7.574 1.006 1
1 1540 . 3 1 1 A 121 121 HIS HA H 121 4.620 4.180 0.440 1
1 1543 . 3 1 1 A 121 121 HIS C C 121 173.500 174.242 -0.742 1
1 1544 . 3 1 1 A 121 121 HIS CA C 121 55.300 56.092 -0.792 1
1 1545 . 3 1 1 A 121 121 HIS CB C 121 29.200 29.556 -0.356 1
1 1546 . 3 1 1 A 121 121 HIS N N 121 120.800 119.128 1.672 1
1 1547 . 3 1 1 A 122 122 HIS H H 122 8.400 7.861 0.539 1
1 1548 . 3 1 1 A 122 122 HIS HA H 122 4.620 4.203 0.417 1
1 1551 . 3 1 1 A 122 122 HIS CA C 122 55.300 56.294 -0.994 1
1 1552 . 3 1 1 A 122 122 HIS CB C 122 29.200 28.339 0.861 1
1 1553 . 3 1 1 A 122 122 HIS N N 122 125.700 113.928 11.772 1
1 1554 . 3 1 1 A 123 123 HIS H H 123 8.690 8.397 0.293 1
1 1555 . 3 1 1 A 123 123 HIS HA H 123 4.640 4.460 0.180 1
1 1558 . 3 1 1 A 123 123 HIS C C 123 174.100 175.598 -1.498 1
1 1559 . 3 1 1 A 123 123 HIS CA C 123 55.300 58.982 -3.682 1
1 1560 . 3 1 1 A 123 123 HIS CB C 123 29.300 29.878 -0.578 1
1 1561 . 3 1 1 A 123 123 HIS N N 123 120.200 125.055 -4.855 1
1 1562 . 3 1 1 A 124 124 HIS H H 124 8.710 7.548 1.162 1
1 1563 . 3 1 1 A 124 124 HIS HA H 124 4.640 4.855 -0.215 1
1 1566 . 3 1 1 A 124 124 HIS C C 124 174.200 174.082 0.118 1
1 1567 . 3 1 1 A 124 124 HIS CA C 124 55.300 54.382 0.918 1
1 1568 . 3 1 1 A 124 124 HIS CB C 124 29.300 31.889 -2.589 1
1 14 . 4 1 1 A 2 2 ASN H H 2 8.500 8.830 -0.330 1
1 15 . 4 1 1 A 2 2 ASN HA H 2 4.990 5.073 -0.083 1
1 20 . 4 1 1 A 2 2 ASN C C 2 175.600 176.745 -1.145 1
1 21 . 4 1 1 A 2 2 ASN CA C 2 51.000 52.205 -1.205 1
1 22 . 4 1 1 A 2 2 ASN CB C 2 40.000 39.872 0.128 1
1 24 . 4 1 1 A 2 2 ASN N N 2 122.000 125.272 -3.272 1
1 26 . 4 1 1 A 3 3 ARG H H 3 8.950 8.997 -0.047 1
1 27 . 4 1 1 A 3 3 ARG HA H 3 3.850 4.179 -0.329 1
1 35 . 4 1 1 A 3 3 ARG C C 3 175.600 178.802 -3.202 1
1 36 . 4 1 1 A 3 3 ARG CA C 3 60.400 59.169 1.231 1
1 37 . 4 1 1 A 3 3 ARG CB C 3 30.900 30.094 0.806 1
1 41 . 4 1 1 A 3 3 ARG N N 3 117.600 121.504 -3.904 1
1 43 . 4 1 1 A 4 4 GLN H H 4 8.370 8.240 0.130 1
1 44 . 4 1 1 A 4 4 GLN HA H 4 3.900 4.097 -0.197 1
1 51 . 4 1 1 A 4 4 GLN C C 4 178.300 178.425 -0.125 1
1 52 . 4 1 1 A 4 4 GLN CA C 4 58.900 59.367 -0.467 1
1 53 . 4 1 1 A 4 4 GLN CB C 4 28.200 28.263 -0.063 1
1 56 . 4 1 1 A 4 4 GLN N N 4 120.700 119.269 1.431 1
1 58 . 4 1 1 A 5 5 GLN H H 5 8.670 8.149 0.521 1
1 59 . 4 1 1 A 5 5 GLN HA H 5 4.190 4.125 0.065 1
1 66 . 4 1 1 A 5 5 GLN C C 5 180.000 178.590 1.410 1
1 67 . 4 1 1 A 5 5 GLN CA C 5 58.500 58.931 -0.431 1
1 68 . 4 1 1 A 5 5 GLN CB C 5 28.900 28.479 0.421 1
1 71 . 4 1 1 A 5 5 GLN N N 5 117.700 118.725 -1.025 1
1 73 . 4 1 1 A 6 6 PHE H H 6 8.270 7.935 0.335 1
1 74 . 4 1 1 A 6 6 PHE HA H 6 4.130 4.214 -0.084 1
1 82 . 4 1 1 A 6 6 PHE C C 6 175.500 177.298 -1.798 1
1 83 . 4 1 1 A 6 6 PHE CA C 6 62.700 61.246 1.454 1
1 84 . 4 1 1 A 6 6 PHE CB C 6 39.000 39.283 -0.283 1
1 90 . 4 1 1 A 6 6 PHE N N 6 121.200 120.701 0.499 1
1 91 . 4 1 1 A 7 7 ILE H H 7 8.390 8.884 -0.494 1
1 92 . 4 1 1 A 7 7 ILE HA H 7 3.280 3.612 -0.332 1
1 102 . 4 1 1 A 7 7 ILE C C 7 178.900 177.586 1.314 1
1 103 . 4 1 1 A 7 7 ILE CA C 7 66.400 65.522 0.878 1
1 104 . 4 1 1 A 7 7 ILE CB C 7 38.500 37.962 0.538 1
1 108 . 4 1 1 A 7 7 ILE N N 7 121.000 120.886 0.114 1
1 109 . 4 1 1 A 8 8 ASP H H 8 8.710 8.248 0.462 1
1 110 . 4 1 1 A 8 8 ASP HA H 8 4.370 4.294 0.076 1
1 113 . 4 1 1 A 8 8 ASP C C 8 178.000 178.392 -0.392 1
1 114 . 4 1 1 A 8 8 ASP CA C 8 57.300 57.710 -0.410 1
1 115 . 4 1 1 A 8 8 ASP CB C 8 40.600 39.903 0.697 1
1 116 . 4 1 1 A 8 8 ASP N N 8 119.800 119.949 -0.149 1
1 117 . 4 1 1 A 9 9 TYR H H 9 8.060 8.301 -0.241 1
1 118 . 4 1 1 A 9 9 TYR HA H 9 4.000 4.078 -0.078 1
1 125 . 4 1 1 A 9 9 TYR C C 9 176.500 177.460 -0.960 1
1 126 . 4 1 1 A 9 9 TYR CA C 9 61.700 61.866 -0.166 1
1 127 . 4 1 1 A 9 9 TYR CB C 9 38.600 38.596 0.004 1
1 132 . 4 1 1 A 9 9 TYR N N 9 121.600 122.740 -1.140 1
1 133 . 4 1 1 A 10 10 ALA H H 10 8.340 7.760 0.580 1
1 134 . 4 1 1 A 10 10 ALA HA H 10 3.730 3.707 0.023 1
1 138 . 4 1 1 A 10 10 ALA C C 10 180.200 179.653 0.547 1
1 139 . 4 1 1 A 10 10 ALA CA C 10 55.200 55.212 -0.012 1
1 140 . 4 1 1 A 10 10 ALA CB C 10 17.300 17.819 -0.519 1
1 141 . 4 1 1 A 10 10 ALA N N 10 120.700 123.090 -2.390 1
1 142 . 4 1 1 A 11 11 GLN H H 11 7.830 7.593 0.237 1
1 143 . 4 1 1 A 11 11 GLN HA H 11 4.130 4.045 0.085 1
1 150 . 4 1 1 A 11 11 GLN C C 11 178.300 178.328 -0.028 1
1 151 . 4 1 1 A 11 11 GLN CA C 11 59.200 58.910 0.290 1
1 152 . 4 1 1 A 11 11 GLN CB C 11 28.600 28.511 0.089 1
1 155 . 4 1 1 A 11 11 GLN N N 11 116.600 117.954 -1.354 1
1 157 . 4 1 1 A 12 12 LYS H H 12 8.040 7.712 0.328 1
1 158 . 4 1 1 A 12 12 LYS HA H 12 3.890 3.960 -0.070 1
1 167 . 4 1 1 A 12 12 LYS C C 12 178.200 177.896 0.304 1
1 168 . 4 1 1 A 12 12 LYS CA C 12 58.800 59.083 -0.283 1
1 169 . 4 1 1 A 12 12 LYS CB C 12 32.700 31.851 0.849 1
1 173 . 4 1 1 A 12 12 LYS N N 12 119.300 120.610 -1.310 1
1 174 . 4 1 1 A 13 13 LYS H H 13 8.440 7.303 1.137 1
1 175 . 4 1 1 A 13 13 LYS HA H 13 3.610 3.525 0.085 1
1 184 . 4 1 1 A 13 13 LYS C C 13 177.600 176.681 0.919 1
1 185 . 4 1 1 A 13 13 LYS CA C 13 56.900 58.115 -1.215 1
1 186 . 4 1 1 A 13 13 LYS CB C 13 32.000 31.943 0.057 1
1 190 . 4 1 1 A 13 13 LYS N N 13 117.700 118.523 -0.823 1
1 191 . 4 1 1 A 14 14 TYR H H 14 6.780 7.090 -0.310 1
1 192 . 4 1 1 A 14 14 TYR HA H 14 4.530 4.626 -0.096 1
1 199 . 4 1 1 A 14 14 TYR C C 14 175.800 174.901 0.899 1
1 200 . 4 1 1 A 14 14 TYR CA C 14 56.600 57.014 -0.414 1
1 201 . 4 1 1 A 14 14 TYR CB C 14 39.500 39.499 0.001 1
1 206 . 4 1 1 A 14 14 TYR N N 14 113.100 112.904 0.196 1
1 207 . 4 1 1 A 15 15 ASP H H 15 7.620 8.415 -0.795 1
1 208 . 4 1 1 A 15 15 ASP HA H 15 4.810 4.398 0.412 1
1 211 . 4 1 1 A 15 15 ASP C C 15 175.200 174.799 0.401 1
1 212 . 4 1 1 A 15 15 ASP CA C 15 55.100 55.353 -0.253 1
1 213 . 4 1 1 A 15 15 ASP CB C 15 39.300 39.051 0.249 1
1 214 . 4 1 1 A 15 15 ASP N N 15 119.600 116.114 3.486 1
1 215 . 4 1 1 A 16 16 THR H H 16 7.560 7.634 -0.074 1
1 216 . 4 1 1 A 16 16 THR HA H 16 4.650 4.500 0.150 1
1 222 . 4 1 1 A 16 16 THR C C 16 173.200 173.980 -0.780 1
1 223 . 4 1 1 A 16 16 THR CA C 16 61.500 62.138 -0.638 1
1 224 . 4 1 1 A 16 16 THR CB C 16 71.000 69.694 1.306 1
1 226 . 4 1 1 A 16 16 THR N N 16 113.100 114.105 -1.005 1
1 227 . 4 1 1 A 17 17 LYS H H 17 8.830 8.685 0.145 1
1 228 . 4 1 1 A 17 17 LYS HA H 17 4.690 4.843 -0.153 1
1 235 . 4 1 1 A 17 17 LYS C C 17 173.200 174.289 -1.089 1
1 236 . 4 1 1 A 17 17 LYS CA C 17 53.600 53.427 0.173 1
1 237 . 4 1 1 A 17 17 LYS CB C 17 32.800 31.944 0.856 1
1 241 . 4 1 1 A 17 17 LYS N N 17 127.200 127.206 -0.006 1
1 242 . 4 1 1 A 18 18 PRO HA H 18 3.540 3.973 -0.433 1
1 249 . 4 1 1 A 18 18 PRO C C 18 175.800 175.004 0.796 1
1 250 . 4 1 1 A 18 18 PRO CA C 18 62.000 62.185 -0.185 1
1 251 . 4 1 1 A 18 18 PRO CB C 18 32.200 31.725 0.475 1
1 254 . 4 1 1 A 19 19 ASP H H 19 8.310 8.443 -0.133 1
1 255 . 4 1 1 A 19 19 ASP HA H 19 4.740 4.863 -0.123 1
1 258 . 4 1 1 A 19 19 ASP C C 19 175.100 175.123 -0.023 1
1 259 . 4 1 1 A 19 19 ASP CA C 19 52.300 52.217 0.083 1
1 260 . 4 1 1 A 19 19 ASP CB C 19 43.700 43.455 0.245 1
1 261 . 4 1 1 A 19 19 ASP N N 19 120.300 119.140 1.160 1
1 262 . 4 1 1 A 20 20 HIS H H 20 8.620 8.451 0.169 1
1 263 . 4 1 1 A 20 20 HIS HA H 20 5.170 5.175 -0.005 1
1 266 . 4 1 1 A 20 20 HIS CA C 20 53.200 52.984 0.216 1
1 267 . 4 1 1 A 20 20 HIS CB C 20 28.800 30.183 -1.383 1
1 268 . 4 1 1 A 20 20 HIS N N 20 118.800 119.453 -0.653 1
1 269 . 4 1 1 A 21 21 PRO HA H 21 4.190 4.364 -0.174 1
1 276 . 4 1 1 A 21 21 PRO C C 21 176.600 175.910 0.690 1
1 277 . 4 1 1 A 21 21 PRO CA C 21 63.900 63.481 0.419 1
1 278 . 4 1 1 A 21 21 PRO CB C 21 32.100 31.693 0.407 1
1 281 . 4 1 1 A 22 22 TRP H H 22 8.340 7.697 0.643 1
1 282 . 4 1 1 A 22 22 TRP HA H 22 5.000 4.956 0.044 1
1 291 . 4 1 1 A 22 22 TRP C C 22 174.200 177.222 -3.022 1
1 292 . 4 1 1 A 22 22 TRP CA C 22 57.100 56.358 0.742 1
1 293 . 4 1 1 A 22 22 TRP CB C 22 29.400 29.112 0.288 1
1 299 . 4 1 1 A 22 22 TRP N N 22 118.700 119.422 -0.722 1
1 301 . 4 1 1 A 23 23 GLU H H 23 9.030 8.915 0.115 1
1 302 . 4 1 1 A 23 23 GLU HA H 23 4.000 4.126 -0.126 1
1 307 . 4 1 1 A 23 23 GLU C C 23 177.900 177.970 -0.070 1
1 308 . 4 1 1 A 23 23 GLU CA C 23 59.100 59.319 -0.219 1
1 309 . 4 1 1 A 23 23 GLU CB C 23 29.200 29.215 -0.015 1
1 311 . 4 1 1 A 23 23 GLU N N 23 128.400 124.003 4.397 1
1 312 . 4 1 1 A 24 24 LYS H H 24 8.500 7.891 0.609 1
1 313 . 4 1 1 A 24 24 LYS HA H 24 3.890 3.930 -0.040 1
1 322 . 4 1 1 A 24 24 LYS C C 24 175.300 175.974 -0.674 1
1 323 . 4 1 1 A 24 24 LYS CA C 24 57.100 57.946 -0.846 1
1 324 . 4 1 1 A 24 24 LYS CB C 24 32.300 31.651 0.649 1
1 328 . 4 1 1 A 24 24 LYS N N 24 115.100 117.664 -2.564 1
1 329 . 4 1 1 A 25 25 PHE H H 25 7.010 7.616 -0.606 1
1 330 . 4 1 1 A 25 25 PHE HA H 25 4.740 5.096 -0.356 1
1 338 . 4 1 1 A 25 25 PHE C C 25 175.300 174.603 0.697 1
1 339 . 4 1 1 A 25 25 PHE CA C 25 54.300 55.060 -0.760 1
1 340 . 4 1 1 A 25 25 PHE CB C 25 39.200 38.729 0.471 1
1 346 . 4 1 1 A 25 25 PHE N N 25 115.100 117.562 -2.462 1
1 347 . 4 1 1 A 26 26 PRO HA H 26 4.380 4.677 -0.297 1
1 354 . 4 1 1 A 26 26 PRO C C 26 176.900 177.169 -0.269 1
1 355 . 4 1 1 A 26 26 PRO CA C 26 64.900 64.722 0.178 1
1 356 . 4 1 1 A 26 26 PRO CB C 26 32.200 31.826 0.374 1
1 359 . 4 1 1 A 27 27 ASP H H 27 8.860 8.861 -0.001 1
1 360 . 4 1 1 A 27 27 ASP HA H 27 4.810 4.603 0.207 1
1 363 . 4 1 1 A 27 27 ASP C C 27 177.200 176.108 1.092 1
1 364 . 4 1 1 A 27 27 ASP CA C 27 53.900 55.202 -1.302 1
1 365 . 4 1 1 A 27 27 ASP CB C 27 39.900 41.069 -1.169 1
1 366 . 4 1 1 A 27 27 ASP N N 27 114.400 118.226 -3.826 1
1 367 . 4 1 1 A 28 28 TYR H H 28 8.300 7.826 0.474 1
1 368 . 4 1 1 A 28 28 TYR HA H 28 5.500 5.104 0.396 1
1 375 . 4 1 1 A 28 28 TYR C C 28 175.900 176.132 -0.232 1
1 376 . 4 1 1 A 28 28 TYR CA C 28 55.600 57.298 -1.698 1
1 377 . 4 1 1 A 28 28 TYR CB C 28 36.400 40.579 -4.179 1
1 382 . 4 1 1 A 28 28 TYR N N 28 123.700 119.321 4.379 1
1 383 . 4 1 1 A 29 29 ALA H H 29 9.240 8.816 0.424 1
1 384 . 4 1 1 A 29 29 ALA HA H 29 5.030 5.536 -0.506 1
1 388 . 4 1 1 A 29 29 ALA C C 29 174.600 175.763 -1.163 1
1 389 . 4 1 1 A 29 29 ALA CA C 29 49.700 50.647 -0.947 1
1 390 . 4 1 1 A 29 29 ALA CB C 29 22.800 22.831 -0.031 1
1 391 . 4 1 1 A 29 29 ALA N N 29 126.000 124.304 1.696 1
1 392 . 4 1 1 A 30 30 VAL H H 30 8.530 8.281 0.249 1
1 393 . 4 1 1 A 30 30 VAL HA H 30 4.250 4.812 -0.562 1
1 401 . 4 1 1 A 30 30 VAL C C 30 173.400 174.576 -1.176 1
1 402 . 4 1 1 A 30 30 VAL CA C 30 60.300 61.216 -0.916 1
1 403 . 4 1 1 A 30 30 VAL CB C 30 34.100 34.720 -0.620 1
1 406 . 4 1 1 A 30 30 VAL N N 30 119.700 120.492 -0.792 1
1 407 . 4 1 1 A 31 31 PHE H H 31 8.040 9.437 -1.397 1
1 408 . 4 1 1 A 31 31 PHE HA H 31 4.250 5.246 -0.996 1
1 416 . 4 1 1 A 31 31 PHE C C 31 173.200 174.209 -1.009 1
1 417 . 4 1 1 A 31 31 PHE CA C 31 56.700 56.575 0.125 1
1 418 . 4 1 1 A 31 31 PHE CB C 31 38.500 40.737 -2.237 1
1 424 . 4 1 1 A 31 31 PHE N N 31 124.100 126.150 -2.050 1
1 425 . 4 1 1 A 32 32 ARG H H 32 8.720 8.789 -0.069 1
1 426 . 4 1 1 A 32 32 ARG HA H 32 5.320 4.717 0.603 1
1 434 . 4 1 1 A 32 32 ARG C C 32 176.400 174.120 2.280 1
1 435 . 4 1 1 A 32 32 ARG CA C 32 53.400 54.878 -1.478 1
1 436 . 4 1 1 A 32 32 ARG CB C 32 34.200 33.914 0.286 1
1 440 . 4 1 1 A 32 32 ARG N N 32 122.300 124.689 -2.389 1
1 442 . 4 1 1 A 33 33 HIS H H 33 8.560 8.904 -0.344 1
1 443 . 4 1 1 A 33 33 HIS HA H 33 4.710 5.031 -0.321 1
1 446 . 4 1 1 A 33 33 HIS C C 33 176.400 175.549 0.851 1
1 447 . 4 1 1 A 33 33 HIS CA C 33 56.500 54.745 1.755 1
1 448 . 4 1 1 A 33 33 HIS CB C 33 28.900 31.519 -2.619 1
1 449 . 4 1 1 A 33 33 HIS N N 33 119.800 126.120 -6.320 1
1 450 . 4 1 1 A 34 34 SER H H 34 9.160 8.983 0.177 1
1 451 . 4 1 1 A 34 34 SER HA H 34 4.390 4.168 0.222 1
1 454 . 4 1 1 A 34 34 SER C C 34 174.900 176.649 -1.749 1
1 455 . 4 1 1 A 34 34 SER CA C 34 60.400 61.262 -0.862 1
1 456 . 4 1 1 A 34 34 SER CB C 34 63.200 63.246 -0.046 1
1 457 . 4 1 1 A 34 34 SER N N 34 118.700 119.742 -1.042 1
1 458 . 4 1 1 A 35 35 ASP H H 35 8.660 8.379 0.281 1
1 459 . 4 1 1 A 35 35 ASP HA H 35 4.570 4.366 0.204 1
1 462 . 4 1 1 A 35 35 ASP C C 35 177.000 178.079 -1.079 1
1 463 . 4 1 1 A 35 35 ASP CA C 35 54.300 57.350 -3.050 1
1 464 . 4 1 1 A 35 35 ASP CB C 35 39.700 40.389 -0.689 1
1 465 . 4 1 1 A 35 35 ASP N N 35 118.200 122.101 -3.901 1
1 466 . 4 1 1 A 36 36 ASN H H 36 7.900 7.898 0.002 1
1 467 . 4 1 1 A 36 36 ASN HA H 36 4.660 4.859 -0.199 1
1 472 . 4 1 1 A 36 36 ASN C C 36 175.100 174.083 1.017 1
1 473 . 4 1 1 A 36 36 ASN CA C 36 52.000 52.841 -0.841 1
1 474 . 4 1 1 A 36 36 ASN CB C 36 38.900 38.657 0.243 1
1 476 . 4 1 1 A 36 36 ASN N N 36 116.200 114.456 1.744 1
1 478 . 4 1 1 A 37 37 ASP H H 37 7.890 7.963 -0.073 1
1 479 . 4 1 1 A 37 37 ASP HA H 37 4.670 4.232 0.438 1
1 482 . 4 1 1 A 37 37 ASP C C 37 175.800 175.167 0.633 1
1 483 . 4 1 1 A 37 37 ASP CA C 37 55.800 55.569 0.231 1
1 484 . 4 1 1 A 37 37 ASP CB C 37 40.500 39.956 0.544 1
1 485 . 4 1 1 A 37 37 ASP N N 37 115.300 116.457 -1.157 1
1 486 . 4 1 1 A 38 38 LYS H H 38 8.310 7.779 0.531 1
1 487 . 4 1 1 A 38 38 LYS HA H 38 4.390 4.554 -0.164 1
1 496 . 4 1 1 A 38 38 LYS C C 38 175.300 175.283 0.017 1
1 497 . 4 1 1 A 38 38 LYS CA C 38 56.700 55.850 0.850 1
1 498 . 4 1 1 A 38 38 LYS CB C 38 32.500 34.086 -1.586 1
1 502 . 4 1 1 A 38 38 LYS N N 38 119.300 117.477 1.823 1
1 503 . 4 1 1 A 39 39 TRP HA H 39 5.000 4.375 0.625 1
1 512 . 4 1 1 A 39 39 TRP C C 39 176.100 174.711 1.389 1
1 513 . 4 1 1 A 39 39 TRP CA C 39 55.700 57.922 -2.222 1
1 514 . 4 1 1 A 39 39 TRP CB C 39 30.300 27.738 2.562 1
1 521 . 4 1 1 A 40 40 TYR H H 40 9.270 8.636 0.634 1
1 522 . 4 1 1 A 40 40 TYR HA H 40 5.280 4.757 0.523 1
1 525 . 4 1 1 A 40 40 TYR C C 40 175.400 174.605 0.795 1
1 526 . 4 1 1 A 40 40 TYR CA C 40 55.700 56.171 -0.471 1
1 527 . 4 1 1 A 40 40 TYR CB C 40 40.300 39.877 0.423 1
1 528 . 4 1 1 A 40 40 TYR N N 40 114.000 125.947 -11.947 1
1 529 . 4 1 1 A 41 41 ALA H H 41 7.760 8.203 -0.443 1
1 530 . 4 1 1 A 41 41 ALA HA H 41 5.580 4.812 0.768 1
1 534 . 4 1 1 A 41 41 ALA C C 41 177.300 175.749 1.551 1
1 535 . 4 1 1 A 41 41 ALA CA C 41 52.900 51.467 1.433 1
1 536 . 4 1 1 A 41 41 ALA CB C 41 21.900 22.120 -0.220 1
1 537 . 4 1 1 A 41 41 ALA N N 41 121.500 122.955 -1.455 1
1 538 . 4 1 1 A 42 42 LEU H H 42 8.300 8.757 -0.457 1
1 539 . 4 1 1 A 42 42 LEU HA H 42 5.200 5.349 -0.149 1
1 549 . 4 1 1 A 42 42 LEU C C 42 173.300 174.580 -1.280 1
1 550 . 4 1 1 A 42 42 LEU CA C 42 54.100 53.517 0.583 1
1 551 . 4 1 1 A 42 42 LEU CB C 42 45.900 46.074 -0.174 1
1 555 . 4 1 1 A 42 42 LEU N N 42 123.700 119.538 4.162 1
1 556 . 4 1 1 A 43 43 LEU H H 43 9.700 9.239 0.461 1
1 557 . 4 1 1 A 43 43 LEU HA H 43 5.250 5.254 -0.004 1
1 567 . 4 1 1 A 43 43 LEU C C 43 173.300 175.244 -1.944 1
1 568 . 4 1 1 A 43 43 LEU CA C 43 54.000 53.529 0.471 1
1 569 . 4 1 1 A 43 43 LEU CB C 43 46.000 44.868 1.132 1
1 573 . 4 1 1 A 43 43 LEU N N 43 130.400 123.260 7.140 1
1 574 . 4 1 1 A 44 44 MET H H 44 8.800 8.473 0.327 1
1 575 . 4 1 1 A 44 44 MET HA H 44 4.420 4.699 -0.279 1
1 583 . 4 1 1 A 44 44 MET C C 44 172.500 173.513 -1.013 1
1 584 . 4 1 1 A 44 44 MET CA C 44 55.000 53.667 1.333 1
1 585 . 4 1 1 A 44 44 MET CB C 44 39.100 35.505 3.595 1
1 588 . 4 1 1 A 44 44 MET N N 44 122.800 122.481 0.319 1
1 589 . 4 1 1 A 45 45 ASP H H 45 7.960 8.266 -0.306 1
1 590 . 4 1 1 A 45 45 ASP HA H 45 5.490 5.451 0.039 1
1 593 . 4 1 1 A 45 45 ASP C C 45 175.200 175.432 -0.232 1
1 594 . 4 1 1 A 45 45 ASP CA C 45 51.900 52.657 -0.757 1
1 595 . 4 1 1 A 45 45 ASP CB C 45 40.800 41.993 -1.193 1
1 596 . 4 1 1 A 45 45 ASP N N 45 119.400 118.900 0.500 1
1 597 . 4 1 1 A 46 46 ILE H H 46 8.800 8.352 0.448 1
1 598 . 4 1 1 A 46 46 ILE HA H 46 4.870 4.874 -0.004 1
1 608 . 4 1 1 A 46 46 ILE CA C 46 57.700 57.037 0.663 1
1 609 . 4 1 1 A 46 46 ILE CB C 46 40.100 40.161 -0.061 1
1 613 . 4 1 1 A 46 46 ILE N N 46 117.400 119.900 -2.500 1
1 614 . 4 1 1 A 47 47 PRO HA H 47 4.420 4.470 -0.050 1
1 621 . 4 1 1 A 47 47 PRO C C 47 177.800 177.427 0.373 1
1 622 . 4 1 1 A 47 47 PRO CA C 47 63.000 63.094 -0.094 1
1 623 . 4 1 1 A 47 47 PRO CB C 47 31.900 32.635 -0.735 1
1 626 . 4 1 1 A 48 48 ALA H H 48 8.550 8.704 -0.154 1
1 627 . 4 1 1 A 48 48 ALA HA H 48 3.550 4.019 -0.469 1
1 631 . 4 1 1 A 48 48 ALA C C 48 179.200 179.911 -0.711 1
1 632 . 4 1 1 A 48 48 ALA CA C 48 55.200 54.689 0.511 1
1 633 . 4 1 1 A 48 48 ALA CB C 48 17.700 18.251 -0.551 1
1 634 . 4 1 1 A 48 48 ALA N N 48 130.100 127.343 2.757 1
1 635 . 4 1 1 A 49 49 GLU H H 49 8.700 8.420 0.280 1
1 636 . 4 1 1 A 49 49 GLU HA H 49 4.180 4.269 -0.089 1
1 641 . 4 1 1 A 49 49 GLU C C 49 179.800 178.408 1.392 1
1 642 . 4 1 1 A 49 49 GLU CA C 49 58.200 59.014 -0.814 1
1 643 . 4 1 1 A 49 49 GLU CB C 49 28.200 28.674 -0.474 1
1 645 . 4 1 1 A 49 49 GLU N N 49 114.900 116.705 -1.805 1
1 646 . 4 1 1 A 50 50 LYS H H 50 7.910 7.604 0.306 1
1 647 . 4 1 1 A 50 50 LYS HA H 50 4.060 4.102 -0.042 1
1 656 . 4 1 1 A 50 50 LYS C C 50 178.100 178.748 -0.648 1
1 657 . 4 1 1 A 50 50 LYS CA C 50 56.900 59.593 -2.693 1
1 658 . 4 1 1 A 50 50 LYS CB C 50 31.700 32.545 -0.845 1
1 662 . 4 1 1 A 50 50 LYS N N 50 118.100 118.647 -0.547 1
1 663 . 4 1 1 A 51 51 ILE H H 51 7.190 7.712 -0.522 1
1 664 . 4 1 1 A 51 51 ILE HA H 51 4.490 4.019 0.471 1
1 674 . 4 1 1 A 51 51 ILE C C 51 175.300 176.508 -1.208 1
1 675 . 4 1 1 A 51 51 ILE CA C 51 60.100 60.514 -0.414 1
1 676 . 4 1 1 A 51 51 ILE CB C 51 37.400 36.831 0.569 1
1 680 . 4 1 1 A 51 51 ILE N N 51 109.000 113.236 -4.236 1
1 681 . 4 1 1 A 52 52 GLY H H 52 7.370 7.811 -0.441 1
1 682 . 4 1 1 A 52 52 GLY HA2 H 52 4.050 3.870 0.180 1
1 683 . 4 1 1 A 52 52 GLY HA3 H 52 3.730 3.912 -0.182 1
1 684 . 4 1 1 A 52 52 GLY C C 52 174.200 173.822 0.378 1
1 685 . 4 1 1 A 52 52 GLY CA C 52 46.100 45.343 0.757 1
1 686 . 4 1 1 A 52 52 GLY N N 52 106.900 110.615 -3.715 1
1 687 . 4 1 1 A 53 53 ILE H H 53 7.260 7.101 0.159 1
1 688 . 4 1 1 A 53 53 ILE HA H 53 4.040 3.965 0.075 1
1 698 . 4 1 1 A 53 53 ILE C C 53 174.700 175.010 -0.310 1
1 699 . 4 1 1 A 53 53 ILE CA C 53 60.500 60.413 0.087 1
1 700 . 4 1 1 A 53 53 ILE CB C 53 38.700 37.057 1.643 1
1 704 . 4 1 1 A 53 53 ILE N N 53 121.900 123.133 -1.233 1
1 705 . 4 1 1 A 54 54 ASN H H 54 8.280 8.947 -0.667 1
1 706 . 4 1 1 A 54 54 ASN HA H 54 4.540 4.896 -0.356 1
1 711 . 4 1 1 A 54 54 ASN C C 54 175.400 176.257 -0.857 1
1 712 . 4 1 1 A 54 54 ASN CA C 54 53.700 53.080 0.620 1
1 713 . 4 1 1 A 54 54 ASN CB C 54 39.000 37.616 1.384 1
1 715 . 4 1 1 A 54 54 ASN N N 54 123.300 127.085 -3.785 1
1 717 . 4 1 1 A 55 55 GLY H H 55 8.240 8.655 -0.415 1
1 718 . 4 1 1 A 55 55 GLY HA2 H 55 4.230 4.139 0.091 1
1 719 . 4 1 1 A 55 55 GLY HA3 H 55 3.740 4.144 -0.404 1
1 720 . 4 1 1 A 55 55 GLY C C 55 173.200 174.434 -1.234 1
1 721 . 4 1 1 A 55 55 GLY CA C 55 44.800 45.371 -0.571 1
1 722 . 4 1 1 A 55 55 GLY N N 55 110.200 113.566 -3.366 1
1 723 . 4 1 1 A 56 56 ASP H H 56 8.320 8.365 -0.045 1
1 724 . 4 1 1 A 56 56 ASP HA H 56 4.700 4.233 0.467 1
1 727 . 4 1 1 A 56 56 ASP C C 56 175.800 175.198 0.602 1
1 728 . 4 1 1 A 56 56 ASP CA C 56 53.400 55.381 -1.981 1
1 729 . 4 1 1 A 56 56 ASP CB C 56 40.500 39.926 0.574 1
1 730 . 4 1 1 A 56 56 ASP N N 56 119.000 119.769 -0.769 1
1 731 . 4 1 1 A 57 57 LYS H H 57 7.780 7.729 0.051 1
1 732 . 4 1 1 A 57 57 LYS HA H 57 4.400 4.840 -0.440 1
1 741 . 4 1 1 A 57 57 LYS C C 57 175.700 176.028 -0.328 1
1 742 . 4 1 1 A 57 57 LYS CA C 57 55.600 55.239 0.361 1
1 743 . 4 1 1 A 57 57 LYS CB C 57 33.700 34.520 -0.820 1
1 747 . 4 1 1 A 57 57 LYS N N 57 119.500 115.224 4.276 1
1 748 . 4 1 1 A 58 58 ARG H H 58 8.410 8.445 -0.035 1
1 749 . 4 1 1 A 58 58 ARG HA H 58 4.740 4.528 0.212 1
1 757 . 4 1 1 A 58 58 ARG C C 58 176.200 176.281 -0.081 1
1 758 . 4 1 1 A 58 58 ARG CA C 58 55.300 56.088 -0.788 1
1 759 . 4 1 1 A 58 58 ARG CB C 58 31.700 30.744 0.956 1
1 763 . 4 1 1 A 58 58 ARG N N 58 120.900 122.914 -2.014 1
1 765 . 4 1 1 A 59 59 VAL H H 59 9.030 8.497 0.533 1
1 766 . 4 1 1 A 59 59 VAL HA H 59 4.570 4.823 -0.253 1
1 774 . 4 1 1 A 59 59 VAL C C 59 173.900 173.937 -0.037 1
1 775 . 4 1 1 A 59 59 VAL CA C 59 58.700 58.620 0.080 1
1 776 . 4 1 1 A 59 59 VAL CB C 59 34.700 35.764 -1.064 1
1 779 . 4 1 1 A 59 59 VAL N N 59 115.600 118.443 -2.843 1
1 780 . 4 1 1 A 60 60 ASP H H 60 8.290 8.480 -0.190 1
1 781 . 4 1 1 A 60 60 ASP HA H 60 5.560 5.110 0.450 1
1 784 . 4 1 1 A 60 60 ASP C C 60 175.800 175.797 0.003 1
1 785 . 4 1 1 A 60 60 ASP CA C 60 53.600 53.904 -0.304 1
1 786 . 4 1 1 A 60 60 ASP CB C 60 43.100 42.115 0.985 1
1 787 . 4 1 1 A 60 60 ASP N N 60 120.700 121.649 -0.949 1
1 788 . 4 1 1 A 61 61 VAL H H 61 9.080 8.634 0.446 1
1 789 . 4 1 1 A 61 61 VAL HA H 61 5.150 5.268 -0.118 1
1 797 . 4 1 1 A 61 61 VAL C C 61 173.800 174.346 -0.546 1
1 798 . 4 1 1 A 61 61 VAL CA C 61 57.600 59.080 -1.480 1
1 799 . 4 1 1 A 61 61 VAL CB C 61 35.500 35.848 -0.348 1
1 802 . 4 1 1 A 61 61 VAL N N 61 115.200 117.145 -1.945 1
1 803 . 4 1 1 A 62 62 ILE H H 62 8.530 8.356 0.174 1
1 804 . 4 1 1 A 62 62 ILE HA H 62 5.550 5.079 0.471 1
1 814 . 4 1 1 A 62 62 ILE CA C 62 57.800 58.507 -0.707 1
1 815 . 4 1 1 A 62 62 ILE CB C 62 41.700 41.602 0.098 1
1 819 . 4 1 1 A 62 62 ILE N N 62 112.000 117.766 -5.766 1
1 820 . 4 1 1 A 64 64 LEU HA H 64 4.960 4.996 -0.036 1
1 830 . 4 1 1 A 64 64 LEU C C 64 173.100 174.566 -1.466 1
1 831 . 4 1 1 A 64 64 LEU CA C 64 53.500 53.661 -0.161 1
1 832 . 4 1 1 A 64 64 LEU CB C 64 47.000 45.963 1.037 1
1 836 . 4 1 1 A 65 65 LYS H H 65 8.470 8.914 -0.444 1
1 837 . 4 1 1 A 65 65 LYS HA H 65 3.760 5.179 -1.419 1
1 846 . 4 1 1 A 65 65 LYS C C 65 175.100 176.377 -1.277 1
1 847 . 4 1 1 A 65 65 LYS CA C 65 55.700 56.194 -0.494 1
1 848 . 4 1 1 A 65 65 LYS CB C 65 33.600 33.604 -0.004 1
1 852 . 4 1 1 A 65 65 LYS N N 65 126.700 128.595 -1.895 1
1 853 . 4 1 1 A 66 66 VAL H H 66 7.840 8.655 -0.815 1
1 854 . 4 1 1 A 66 66 VAL HA H 66 4.410 4.948 -0.538 1
1 862 . 4 1 1 A 66 66 VAL C C 66 175.300 174.531 0.769 1
1 863 . 4 1 1 A 66 66 VAL CA C 66 58.300 58.860 -0.560 1
1 864 . 4 1 1 A 66 66 VAL CB C 66 36.400 36.119 0.281 1
1 867 . 4 1 1 A 66 66 VAL N N 66 116.000 118.986 -2.986 1
1 868 . 4 1 1 A 67 67 GLN H H 67 8.620 8.652 -0.032 1
1 869 . 4 1 1 A 67 67 GLN HA H 67 4.350 4.654 -0.304 1
1 876 . 4 1 1 A 67 67 GLN CA C 67 54.900 53.375 1.525 1
1 877 . 4 1 1 A 67 67 GLN CB C 67 27.600 28.680 -1.080 1
1 880 . 4 1 1 A 67 67 GLN N N 67 123.000 120.821 2.179 1
1 882 . 4 1 1 A 68 68 PRO HA H 68 4.200 4.254 -0.054 1
1 889 . 4 1 1 A 68 68 PRO C C 68 179.400 177.441 1.959 1
1 890 . 4 1 1 A 68 68 PRO CA C 68 65.100 65.251 -0.151 1
1 891 . 4 1 1 A 68 68 PRO CB C 68 31.700 31.779 -0.079 1
1 894 . 4 1 1 A 69 69 GLU H H 69 9.620 8.869 0.751 1
1 895 . 4 1 1 A 69 69 GLU HA H 69 4.190 4.123 0.067 1
1 900 . 4 1 1 A 69 69 GLU C C 69 177.100 177.527 -0.427 1
1 901 . 4 1 1 A 69 69 GLU CA C 69 58.600 58.267 0.333 1
1 902 . 4 1 1 A 69 69 GLU CB C 69 28.100 29.591 -1.491 1
1 904 . 4 1 1 A 69 69 GLU N N 69 116.900 115.549 1.351 1
1 905 . 4 1 1 A 70 70 LEU H H 70 7.940 7.625 0.315 1
1 906 . 4 1 1 A 70 70 LEU HA H 70 4.460 4.346 0.114 1
1 916 . 4 1 1 A 70 70 LEU C C 70 177.600 178.427 -0.827 1
1 917 . 4 1 1 A 70 70 LEU CA C 70 54.500 55.153 -0.653 1
1 918 . 4 1 1 A 70 70 LEU CB C 70 42.800 42.241 0.559 1
1 922 . 4 1 1 A 70 70 LEU N N 70 118.700 119.761 -1.061 1
1 923 . 4 1 1 A 71 71 VAL H H 71 7.080 7.934 -0.854 1
1 924 . 4 1 1 A 71 71 VAL HA H 71 3.210 3.728 -0.518 1
1 932 . 4 1 1 A 71 71 VAL C C 71 176.800 177.827 -1.027 1
1 933 . 4 1 1 A 71 71 VAL CA C 71 67.700 65.969 1.731 1
1 934 . 4 1 1 A 71 71 VAL CB C 71 32.000 31.269 0.731 1
1 937 . 4 1 1 A 71 71 VAL N N 71 120.300 119.910 0.390 1
1 938 . 4 1 1 A 72 72 GLY H H 72 8.540 8.252 0.288 1
1 939 . 4 1 1 A 72 72 GLY HA2 H 72 3.770 3.773 -0.003 1
1 940 . 4 1 1 A 72 72 GLY HA3 H 72 3.630 3.779 -0.149 1
1 941 . 4 1 1 A 72 72 GLY C C 72 176.300 176.161 0.139 1
1 942 . 4 1 1 A 72 72 GLY CA C 72 47.000 47.441 -0.441 1
1 943 . 4 1 1 A 72 72 GLY N N 72 105.300 109.096 -3.796 1
1 944 . 4 1 1 A 73 73 SER H H 73 7.870 8.208 -0.338 1
1 945 . 4 1 1 A 73 73 SER HA H 73 4.170 4.192 -0.022 1
1 948 . 4 1 1 A 73 73 SER C C 73 178.000 176.754 1.246 1
1 949 . 4 1 1 A 73 73 SER CA C 73 60.600 60.825 -0.225 1
1 950 . 4 1 1 A 73 73 SER CB C 73 62.700 63.172 -0.472 1
1 951 . 4 1 1 A 73 73 SER N N 73 115.700 117.131 -1.431 1
1 952 . 4 1 1 A 74 74 LEU H H 74 8.340 7.577 0.763 1
1 953 . 4 1 1 A 74 74 LEU HA H 74 4.000 4.154 -0.154 1
1 963 . 4 1 1 A 74 74 LEU C C 74 178.400 178.762 -0.362 1
1 964 . 4 1 1 A 74 74 LEU CA C 74 57.900 57.055 0.845 1
1 965 . 4 1 1 A 74 74 LEU CB C 74 41.700 42.432 -0.732 1
1 969 . 4 1 1 A 74 74 LEU N N 74 124.600 122.597 2.003 1
1 970 . 4 1 1 A 75 75 ARG H H 75 7.850 8.355 -0.505 1
1 971 . 4 1 1 A 75 75 ARG HA H 75 3.750 4.173 -0.423 1
1 979 . 4 1 1 A 75 75 ARG C C 75 176.500 177.888 -1.388 1
1 980 . 4 1 1 A 75 75 ARG CA C 75 57.800 58.146 -0.346 1
1 981 . 4 1 1 A 75 75 ARG CB C 75 29.500 29.862 -0.362 1
1 985 . 4 1 1 A 75 75 ARG N N 75 113.300 119.209 -5.909 1
1 987 . 4 1 1 A 76 76 LYS H H 76 7.100 7.905 -0.805 1
1 988 . 4 1 1 A 76 76 LYS HA H 76 4.210 4.225 -0.015 1
1 997 . 4 1 1 A 76 76 LYS C C 76 177.000 176.245 0.755 1
1 998 . 4 1 1 A 76 76 LYS CA C 76 56.500 58.179 -1.679 1
1 999 . 4 1 1 A 76 76 LYS CB C 76 32.700 32.100 0.600 1
1 1003 . 4 1 1 A 76 76 LYS N N 76 116.600 115.498 1.102 1
1 1004 . 4 1 1 A 77 77 LYS H H 77 7.830 7.381 0.449 1
1 1005 . 4 1 1 A 77 77 LYS HA H 77 4.470 4.401 0.069 1
1 1014 . 4 1 1 A 77 77 LYS CA C 77 54.500 52.426 2.074 1
1 1015 . 4 1 1 A 77 77 LYS CB C 77 31.800 32.923 -1.123 1
1 1019 . 4 1 1 A 77 77 LYS N N 77 122.900 121.014 1.886 1
1 1020 . 4 1 1 A 78 78 PRO HA H 78 4.190 4.101 0.089 1
1 1027 . 4 1 1 A 78 78 PRO C C 78 176.600 177.104 -0.504 1
1 1028 . 4 1 1 A 78 78 PRO CA C 78 63.700 63.499 0.201 1
1 1029 . 4 1 1 A 78 78 PRO CB C 78 31.900 31.597 0.303 1
1 1032 . 4 1 1 A 79 79 GLY H H 79 8.290 8.599 -0.309 1
1 1033 . 4 1 1 A 79 79 GLY HA2 H 79 4.350 3.886 0.464 1
1 1034 . 4 1 1 A 79 79 GLY HA3 H 79 3.590 3.983 -0.393 1
1 1035 . 4 1 1 A 79 79 GLY C C 79 172.000 173.620 -1.620 1
1 1036 . 4 1 1 A 79 79 GLY CA C 79 45.500 45.221 0.279 1
1 1037 . 4 1 1 A 79 79 GLY N N 79 109.300 111.142 -1.842 1
1 1038 . 4 1 1 A 80 80 ILE H H 80 7.300 7.340 -0.040 1
1 1039 . 4 1 1 A 80 80 ILE HA H 80 4.770 4.321 0.449 1
1 1049 . 4 1 1 A 80 80 ILE C C 80 174.200 174.508 -0.308 1
1 1050 . 4 1 1 A 80 80 ILE CA C 80 60.500 60.404 0.096 1
1 1051 . 4 1 1 A 80 80 ILE CB C 80 37.000 39.602 -2.602 1
1 1055 . 4 1 1 A 80 80 ILE N N 80 119.200 122.272 -3.072 1
1 1056 . 4 1 1 A 81 81 TYR H H 81 9.490 8.475 1.015 1
1 1057 . 4 1 1 A 81 81 TYR HA H 81 4.840 4.893 -0.053 1
1 1064 . 4 1 1 A 81 81 TYR CA C 81 56.800 55.758 1.042 1
1 1065 . 4 1 1 A 81 81 TYR CB C 81 39.800 40.556 -0.756 1
1 1070 . 4 1 1 A 81 81 TYR N N 81 126.100 126.134 -0.034 1
1 1071 . 4 1 1 A 82 82 PRO HA H 82 4.610 4.438 0.172 1
1 1078 . 4 1 1 A 82 82 PRO CA C 82 62.300 62.916 -0.616 1
1 1079 . 4 1 1 A 82 82 PRO CB C 82 32.000 32.024 -0.024 1
1 1082 . 4 1 1 A 83 83 ALA HA H 83 4.140 3.965 0.175 1
1 1086 . 4 1 1 A 84 84 TYR HA H 84 4.470 4.314 0.156 1
1 1093 . 4 1 1 A 84 84 TYR CA C 84 57.500 60.047 -2.547 1
1 1094 . 4 1 1 A 84 84 TYR CB C 84 39.500 38.848 0.652 1
1 1099 . 4 1 1 A 87 87 ASN HA H 87 4.410 4.202 0.208 1
1 1104 . 4 1 1 A 87 87 ASN C C 87 176.500 175.253 1.247 1
1 1105 . 4 1 1 A 87 87 ASN CA C 87 55.100 54.219 0.881 1
1 1106 . 4 1 1 A 87 87 ASN CB C 87 40.600 36.175 4.425 1
1 1109 . 4 1 1 A 88 88 LYS H H 88 8.710 7.945 0.765 1
1 1110 . 4 1 1 A 88 88 LYS HA H 88 4.320 3.886 0.434 1
1 1119 . 4 1 1 A 88 88 LYS C C 88 177.600 178.900 -1.300 1
1 1120 . 4 1 1 A 88 88 LYS CA C 88 58.100 59.749 -1.649 1
1 1121 . 4 1 1 A 88 88 LYS CB C 88 33.000 32.365 0.635 1
1 1125 . 4 1 1 A 88 88 LYS N N 88 123.800 118.903 4.897 1
1 1126 . 4 1 1 A 89 89 GLU H H 89 8.390 8.146 0.244 1
1 1127 . 4 1 1 A 89 89 GLU HA H 89 4.270 4.017 0.253 1
1 1132 . 4 1 1 A 89 89 GLU C C 89 176.500 178.859 -2.359 1
1 1133 . 4 1 1 A 89 89 GLU CA C 89 57.800 59.287 -1.487 1
1 1134 . 4 1 1 A 89 89 GLU CB C 89 30.100 29.020 1.080 1
1 1136 . 4 1 1 A 89 89 GLU N N 89 117.000 117.920 -0.920 1
1 1137 . 4 1 1 A 90 90 HIS H H 90 7.600 7.598 0.002 1
1 1138 . 4 1 1 A 90 90 HIS HA H 90 4.580 4.346 0.234 1
1 1142 . 4 1 1 A 90 90 HIS C C 90 170.800 175.258 -4.458 1
1 1143 . 4 1 1 A 90 90 HIS CA C 90 55.500 58.869 -3.369 1
1 1144 . 4 1 1 A 90 90 HIS CB C 90 32.200 29.689 2.511 1
1 1145 . 4 1 1 A 90 90 HIS N N 90 111.500 117.667 -6.167 1
1 1146 . 4 1 1 A 91 91 TRP H H 91 7.650 8.011 -0.361 1
1 1147 . 4 1 1 A 91 91 TRP HA H 91 5.610 5.363 0.247 1
1 1156 . 4 1 1 A 91 91 TRP C C 91 174.600 175.460 -0.860 1
1 1157 . 4 1 1 A 91 91 TRP CA C 91 55.500 56.038 -0.538 1
1 1158 . 4 1 1 A 91 91 TRP CB C 91 31.700 32.403 -0.703 1
1 1163 . 4 1 1 A 91 91 TRP N N 91 117.400 115.621 1.779 1
1 1165 . 4 1 1 A 92 92 ILE H H 92 9.100 8.591 0.509 1
1 1166 . 4 1 1 A 92 92 ILE HA H 92 4.630 4.791 -0.161 1
1 1176 . 4 1 1 A 92 92 ILE C C 92 174.500 175.215 -0.715 1
1 1177 . 4 1 1 A 92 92 ILE CA C 92 59.800 59.872 -0.072 1
1 1178 . 4 1 1 A 92 92 ILE CB C 92 42.500 41.959 0.541 1
1 1182 . 4 1 1 A 92 92 ILE N N 92 111.700 120.394 -8.694 1
1 1183 . 4 1 1 A 93 93 THR H H 93 8.570 8.433 0.137 1
1 1184 . 4 1 1 A 93 93 THR HA H 93 4.250 5.188 -0.938 1
1 1190 . 4 1 1 A 93 93 THR CA C 93 61.800 60.588 1.212 1
1 1191 . 4 1 1 A 93 93 THR CB C 93 70.200 70.254 -0.054 1
1 1193 . 4 1 1 A 93 93 THR N N 93 117.600 116.921 0.679 1
1 1194 . 4 1 1 A 94 94 VAL HA H 94 4.680 4.613 0.067 1
1 1202 . 4 1 1 A 94 94 VAL C C 94 175.400 174.529 0.871 1
1 1203 . 4 1 1 A 94 94 VAL CA C 94 60.700 60.958 -0.258 1
1 1204 . 4 1 1 A 94 94 VAL CB C 94 34.100 33.768 0.332 1
1 1207 . 4 1 1 A 95 95 LEU H H 95 8.080 8.486 -0.406 1
1 1208 . 4 1 1 A 95 95 LEU HA H 95 4.330 4.578 -0.248 1
1 1218 . 4 1 1 A 95 95 LEU C C 95 176.400 176.049 0.351 1
1 1219 . 4 1 1 A 95 95 LEU CA C 95 55.000 54.340 0.660 1
1 1220 . 4 1 1 A 95 95 LEU CB C 95 44.300 42.090 2.210 1
1 1224 . 4 1 1 A 95 95 LEU N N 95 127.500 128.003 -0.503 1
1 1225 . 4 1 1 A 96 96 LEU H H 96 8.050 8.207 -0.157 1
1 1226 . 4 1 1 A 96 96 LEU HA H 96 4.150 4.015 0.135 1
1 1236 . 4 1 1 A 96 96 LEU C C 96 177.400 178.287 -0.887 1
1 1237 . 4 1 1 A 96 96 LEU CA C 96 56.500 58.156 -1.656 1
1 1238 . 4 1 1 A 96 96 LEU CB C 96 40.500 41.510 -1.010 1
1 1242 . 4 1 1 A 96 96 LEU N N 96 128.100 126.969 1.131 1
1 1243 . 4 1 1 A 97 97 ASN H H 97 8.690 8.115 0.575 1
1 1244 . 4 1 1 A 97 97 ASN HA H 97 4.740 4.634 0.106 1
1 1249 . 4 1 1 A 97 97 ASN C C 97 174.900 176.549 -1.649 1
1 1250 . 4 1 1 A 97 97 ASN CA C 97 53.000 55.385 -2.385 1
1 1251 . 4 1 1 A 97 97 ASN CB C 97 37.700 38.579 -0.879 1
1 1252 . 4 1 1 A 97 97 ASN N N 97 117.200 116.646 0.554 1
1 1254 . 4 1 1 A 98 98 GLY H H 98 7.820 7.855 -0.035 1
1 1255 . 4 1 1 A 98 98 GLY HA2 H 98 4.470 4.104 0.366 1
1 1256 . 4 1 1 A 98 98 GLY HA3 H 98 3.740 4.111 -0.371 1
1 1257 . 4 1 1 A 98 98 GLY C C 98 174.900 174.942 -0.042 1
1 1258 . 4 1 1 A 98 98 GLY CA C 98 44.900 44.288 0.612 1
1 1259 . 4 1 1 A 98 98 GLY N N 98 108.600 108.064 0.536 1
1 1260 . 4 1 1 A 99 99 PRO HA H 99 4.380 4.533 -0.153 1
1 1267 . 4 1 1 A 99 99 PRO C C 99 177.400 176.232 1.168 1
1 1268 . 4 1 1 A 99 99 PRO CA C 99 63.900 63.688 0.212 1
1 1269 . 4 1 1 A 99 99 PRO CB C 99 32.400 32.531 -0.131 1
1 1272 . 4 1 1 A 100 100 LEU H H 100 7.750 7.430 0.320 1
1 1273 . 4 1 1 A 100 100 LEU HA H 100 4.280 4.207 0.073 1
1 1283 . 4 1 1 A 100 100 LEU C C 100 177.400 176.997 0.403 1
1 1284 . 4 1 1 A 100 100 LEU CA C 100 55.800 54.808 0.992 1
1 1285 . 4 1 1 A 100 100 LEU CB C 100 42.600 42.202 0.398 1
1 1289 . 4 1 1 A 100 100 LEU N N 100 120.300 121.258 -0.958 1
1 1290 . 4 1 1 A 101 101 GLY H H 101 8.620 8.453 0.167 1
1 1291 . 4 1 1 A 101 101 GLY HA2 H 101 4.110 4.101 0.009 1
1 1292 . 4 1 1 A 101 101 GLY HA3 H 101 3.890 4.105 -0.215 1
1 1293 . 4 1 1 A 101 101 GLY C C 101 173.600 174.768 -1.168 1
1 1294 . 4 1 1 A 101 101 GLY CA C 101 44.300 44.629 -0.329 1
1 1295 . 4 1 1 A 101 101 GLY N N 101 110.600 110.878 -0.278 1
1 1296 . 4 1 1 A 102 102 ALA H H 102 8.310 8.984 -0.674 1
1 1297 . 4 1 1 A 102 102 ALA HA H 102 3.520 3.733 -0.213 1
1 1301 . 4 1 1 A 102 102 ALA C C 102 178.900 179.411 -0.511 1
1 1302 . 4 1 1 A 102 102 ALA CA C 102 55.400 54.471 0.929 1
1 1303 . 4 1 1 A 102 102 ALA CB C 102 18.600 18.113 0.487 1
1 1304 . 4 1 1 A 102 102 ALA N N 102 122.000 124.245 -2.245 1
1 1305 . 4 1 1 A 103 103 LYS H H 103 8.360 7.882 0.478 1
1 1306 . 4 1 1 A 103 103 LYS HA H 103 3.730 3.849 -0.119 1
1 1315 . 4 1 1 A 103 103 LYS C C 103 179.400 179.555 -0.155 1
1 1316 . 4 1 1 A 103 103 LYS CA C 103 60.000 59.423 0.577 1
1 1317 . 4 1 1 A 103 103 LYS CB C 103 31.900 32.050 -0.150 1
1 1321 . 4 1 1 A 103 103 LYS N N 103 116.500 117.231 -0.731 1
1 1322 . 4 1 1 A 104 104 GLU H H 104 7.890 7.924 -0.034 1
1 1323 . 4 1 1 A 104 104 GLU HA H 104 4.080 4.060 0.020 1
1 1328 . 4 1 1 A 104 104 GLU C C 104 179.300 179.651 -0.351 1
1 1329 . 4 1 1 A 104 104 GLU CA C 104 59.500 59.063 0.437 1
1 1330 . 4 1 1 A 104 104 GLU CB C 104 29.100 29.593 -0.493 1
1 1332 . 4 1 1 A 104 104 GLU N N 104 120.000 120.101 -0.101 1
1 1333 . 4 1 1 A 105 105 ILE H H 105 8.170 8.107 0.063 1
1 1334 . 4 1 1 A 105 105 ILE HA H 105 3.520 3.684 -0.164 1
1 1344 . 4 1 1 A 105 105 ILE C C 105 178.100 178.113 -0.013 1
1 1345 . 4 1 1 A 105 105 ILE CA C 105 66.700 65.352 1.348 1
1 1346 . 4 1 1 A 105 105 ILE CB C 105 37.700 37.737 -0.037 1
1 1350 . 4 1 1 A 105 105 ILE N N 105 119.500 120.490 -0.990 1
1 1351 . 4 1 1 A 106 106 HIS H H 106 8.930 8.558 0.372 1
1 1352 . 4 1 1 A 106 106 HIS HA H 106 4.230 4.075 0.155 1
1 1356 . 4 1 1 A 106 106 HIS C C 106 178.000 177.884 0.116 1
1 1357 . 4 1 1 A 106 106 HIS CA C 106 57.600 59.883 -2.283 1
1 1358 . 4 1 1 A 106 106 HIS CB C 106 28.400 29.615 -1.215 1
1 1360 . 4 1 1 A 106 106 HIS N N 106 116.700 120.163 -3.463 1
1 1361 . 4 1 1 A 107 107 SER H H 107 8.060 8.471 -0.411 1
1 1362 . 4 1 1 A 107 107 SER HA H 107 4.310 4.223 0.087 1
1 1365 . 4 1 1 A 107 107 SER C C 107 175.900 177.856 -1.956 1
1 1366 . 4 1 1 A 107 107 SER CA C 107 62.200 61.775 0.425 1
1 1367 . 4 1 1 A 107 107 SER CB C 107 62.500 62.291 0.209 1
1 1368 . 4 1 1 A 107 107 SER N N 107 117.000 116.095 0.905 1
1 1369 . 4 1 1 A 108 108 LEU H H 108 7.950 8.272 -0.322 1
1 1370 . 4 1 1 A 108 108 LEU HA H 108 4.180 4.058 0.122 1
1 1380 . 4 1 1 A 108 108 LEU C C 108 180.600 179.040 1.560 1
1 1381 . 4 1 1 A 108 108 LEU CA C 108 57.900 58.050 -0.150 1
1 1382 . 4 1 1 A 108 108 LEU CB C 108 42.500 41.865 0.635 1
1 1386 . 4 1 1 A 108 108 LEU N N 108 121.800 122.624 -0.824 1
1 1387 . 4 1 1 A 109 109 ILE H H 109 8.730 8.309 0.421 1
1 1388 . 4 1 1 A 109 109 ILE HA H 109 3.830 3.882 -0.052 1
1 1398 . 4 1 1 A 109 109 ILE C C 109 176.800 178.277 -1.477 1
1 1399 . 4 1 1 A 109 109 ILE CA C 109 65.800 66.233 -0.433 1
1 1400 . 4 1 1 A 109 109 ILE CB C 109 38.600 38.198 0.402 1
1 1404 . 4 1 1 A 109 109 ILE N N 109 120.200 119.917 0.283 1
1 1405 . 4 1 1 A 110 110 GLU H H 110 7.960 8.539 -0.579 1
1 1406 . 4 1 1 A 110 110 GLU HA H 110 4.280 4.033 0.247 1
1 1411 . 4 1 1 A 110 110 GLU C C 110 178.500 178.511 -0.011 1
1 1412 . 4 1 1 A 110 110 GLU CA C 110 58.800 59.907 -1.107 1
1 1413 . 4 1 1 A 110 110 GLU CB C 110 28.200 29.000 -0.800 1
1 1415 . 4 1 1 A 110 110 GLU N N 110 120.800 121.390 -0.590 1
1 1416 . 4 1 1 A 111 111 ASP H H 111 8.290 8.228 0.062 1
1 1417 . 4 1 1 A 111 111 ASP HA H 111 4.470 4.516 -0.046 1
1 1420 . 4 1 1 A 111 111 ASP C C 111 178.200 178.752 -0.552 1
1 1421 . 4 1 1 A 111 111 ASP CA C 111 57.100 57.156 -0.056 1
1 1422 . 4 1 1 A 111 111 ASP CB C 111 39.300 40.230 -0.930 1
1 1423 . 4 1 1 A 111 111 ASP N N 111 119.200 120.813 -1.613 1
1 1424 . 4 1 1 A 112 112 SER H H 112 7.800 8.556 -0.756 1
1 1425 . 4 1 1 A 112 112 SER HA H 112 4.200 4.451 -0.251 1
1 1428 . 4 1 1 A 112 112 SER C C 112 178.600 176.761 1.839 1
1 1429 . 4 1 1 A 112 112 SER CA C 112 61.200 61.422 -0.222 1
1 1430 . 4 1 1 A 112 112 SER CB C 112 64.200 62.862 1.338 1
1 1431 . 4 1 1 A 112 112 SER N N 112 114.700 114.809 -0.109 1
1 1432 . 4 1 1 A 113 113 PHE H H 113 9.160 8.520 0.640 1
1 1433 . 4 1 1 A 113 113 PHE HA H 113 3.210 4.007 -0.797 1
1 1436 . 4 1 1 A 113 113 PHE C C 113 178.100 177.921 0.179 1
1 1437 . 4 1 1 A 113 113 PHE CA C 113 62.900 61.548 1.352 1
1 1438 . 4 1 1 A 113 113 PHE CB C 113 39.100 39.337 -0.237 1
1 1439 . 4 1 1 A 113 113 PHE N N 113 121.400 124.346 -2.946 1
1 1440 . 4 1 1 A 114 114 GLN H H 114 8.870 8.086 0.784 1
1 1441 . 4 1 1 A 114 114 GLN HA H 114 4.000 4.045 -0.045 1
1 1448 . 4 1 1 A 114 114 GLN C C 114 179.700 178.549 1.151 1
1 1449 . 4 1 1 A 114 114 GLN CA C 114 58.300 58.812 -0.512 1
1 1450 . 4 1 1 A 114 114 GLN CB C 114 27.600 28.454 -0.854 1
1 1453 . 4 1 1 A 114 114 GLN N N 114 116.800 118.280 -1.480 1
1 1455 . 4 1 1 A 115 115 LEU H H 115 8.570 7.898 0.672 1
1 1456 . 4 1 1 A 115 115 LEU HA H 115 4.090 4.092 -0.002 1
1 1466 . 4 1 1 A 115 115 LEU C C 115 178.600 178.819 -0.219 1
1 1467 . 4 1 1 A 115 115 LEU CA C 115 57.300 58.072 -0.772 1
1 1468 . 4 1 1 A 115 115 LEU CB C 115 43.200 41.990 1.210 1
1 1472 . 4 1 1 A 115 115 LEU N N 115 119.800 122.466 -2.666 1
1 1473 . 4 1 1 A 116 116 THR H H 116 7.240 7.803 -0.563 1
1 1474 . 4 1 1 A 116 116 THR HA H 116 4.270 4.482 -0.212 1
1 1480 . 4 1 1 A 116 116 THR C C 116 173.200 175.590 -2.390 1
1 1481 . 4 1 1 A 116 116 THR CA C 116 60.700 61.875 -1.175 1
1 1482 . 4 1 1 A 116 116 THR CB C 116 70.800 69.669 1.131 1
1 1484 . 4 1 1 A 116 116 THR N N 116 104.900 111.447 -6.547 1
1 1485 . 4 1 1 A 117 117 ARG H H 117 6.840 7.579 -0.739 1
1 1486 . 4 1 1 A 117 117 ARG HA H 117 3.060 3.680 -0.620 1
1 1494 . 4 1 1 A 117 117 ARG C C 117 175.200 176.072 -0.872 1
1 1495 . 4 1 1 A 117 117 ARG CA C 117 55.900 59.366 -3.466 1
1 1496 . 4 1 1 A 117 117 ARG CB C 117 31.100 30.431 0.669 1
1 1500 . 4 1 1 A 117 117 ARG N N 117 120.900 122.470 -1.570 1
1 1502 . 4 1 1 A 118 118 LEU H H 118 8.380 7.708 0.672 1
1 1503 . 4 1 1 A 118 118 LEU HA H 118 4.100 4.638 -0.538 1
1 1513 . 4 1 1 A 118 118 LEU C C 118 176.500 175.105 1.395 1
1 1514 . 4 1 1 A 118 118 LEU CA C 118 55.300 54.678 0.622 1
1 1515 . 4 1 1 A 118 118 LEU CB C 118 42.400 43.750 -1.350 1
1 1519 . 4 1 1 A 118 118 LEU N N 118 122.600 118.549 4.051 1
1 1520 . 4 1 1 A 119 119 GLU H H 119 8.330 8.995 -0.665 1
1 1521 . 4 1 1 A 119 119 GLU HA H 119 4.160 4.927 -0.767 1
1 1526 . 4 1 1 A 119 119 GLU C C 119 175.800 175.414 0.386 1
1 1527 . 4 1 1 A 119 119 GLU CA C 119 56.000 55.470 0.530 1
1 1528 . 4 1 1 A 119 119 GLU CB C 119 30.300 30.918 -0.618 1
1 1530 . 4 1 1 A 119 119 GLU N N 119 124.000 125.529 -1.529 1
1 1531 . 4 1 1 A 120 120 HIS H H 120 8.520 8.739 -0.219 1
1 1532 . 4 1 1 A 120 120 HIS HA H 120 4.620 4.809 -0.189 1
1 1535 . 4 1 1 A 120 120 HIS C C 120 174.000 174.416 -0.416 1
1 1536 . 4 1 1 A 120 120 HIS CA C 120 55.300 56.959 -1.659 1
1 1537 . 4 1 1 A 120 120 HIS CB C 120 29.300 31.623 -2.323 1
1 1538 . 4 1 1 A 120 120 HIS N N 120 120.100 122.916 -2.816 1
1 1539 . 4 1 1 A 121 121 HIS H H 121 8.580 7.924 0.656 1
1 1540 . 4 1 1 A 121 121 HIS HA H 121 4.620 4.582 0.038 1
1 1543 . 4 1 1 A 121 121 HIS C C 121 173.500 174.563 -1.063 1
1 1544 . 4 1 1 A 121 121 HIS CA C 121 55.300 56.283 -0.983 1
1 1545 . 4 1 1 A 121 121 HIS CB C 121 29.200 30.489 -1.289 1
1 1546 . 4 1 1 A 121 121 HIS N N 121 120.800 115.883 4.917 1
1 1547 . 4 1 1 A 122 122 HIS H H 122 8.400 8.983 -0.583 1
1 1548 . 4 1 1 A 122 122 HIS HA H 122 4.620 4.780 -0.160 1
1 1551 . 4 1 1 A 122 122 HIS CA C 122 55.300 56.506 -1.206 1
1 1552 . 4 1 1 A 122 122 HIS CB C 122 29.200 31.690 -2.490 1
1 1553 . 4 1 1 A 122 122 HIS N N 122 125.700 120.620 5.080 1
1 1554 . 4 1 1 A 123 123 HIS H H 123 8.690 8.390 0.300 1
1 1555 . 4 1 1 A 123 123 HIS HA H 123 4.640 4.207 0.433 1
1 1558 . 4 1 1 A 123 123 HIS C C 123 174.100 178.199 -4.099 1
1 1559 . 4 1 1 A 123 123 HIS CA C 123 55.300 59.971 -4.671 1
1 1560 . 4 1 1 A 123 123 HIS CB C 123 29.300 30.306 -1.006 1
1 1561 . 4 1 1 A 123 123 HIS N N 123 120.200 117.994 2.206 1
1 1562 . 4 1 1 A 124 124 HIS H H 124 8.710 8.067 0.643 1
1 1563 . 4 1 1 A 124 124 HIS HA H 124 4.640 4.148 0.492 1
1 1566 . 4 1 1 A 124 124 HIS C C 124 174.200 174.998 -0.798 1
1 1567 . 4 1 1 A 124 124 HIS CA C 124 55.300 59.519 -4.219 1
1 1568 . 4 1 1 A 124 124 HIS CB C 124 29.300 30.372 -1.072 1
1 14 . 5 1 1 A 2 2 ASN H H 2 8.500 8.599 -0.099 1
1 15 . 5 1 1 A 2 2 ASN HA H 2 4.990 5.168 -0.178 1
1 20 . 5 1 1 A 2 2 ASN C C 2 175.600 175.999 -0.399 1
1 21 . 5 1 1 A 2 2 ASN CA C 2 51.000 51.487 -0.487 1
1 22 . 5 1 1 A 2 2 ASN CB C 2 40.000 40.972 -0.972 1
1 24 . 5 1 1 A 2 2 ASN N N 2 122.000 123.179 -1.179 1
1 26 . 5 1 1 A 3 3 ARG H H 3 8.950 9.061 -0.111 1
1 27 . 5 1 1 A 3 3 ARG HA H 3 3.850 3.992 -0.142 1
1 35 . 5 1 1 A 3 3 ARG C C 3 175.600 177.668 -2.068 1
1 36 . 5 1 1 A 3 3 ARG CA C 3 60.400 59.693 0.707 1
1 37 . 5 1 1 A 3 3 ARG CB C 3 30.900 29.934 0.966 1
1 41 . 5 1 1 A 3 3 ARG N N 3 117.600 125.971 -8.371 1
1 43 . 5 1 1 A 4 4 GLN H H 4 8.370 8.644 -0.274 1
1 44 . 5 1 1 A 4 4 GLN HA H 4 3.900 4.123 -0.223 1
1 51 . 5 1 1 A 4 4 GLN C C 4 178.300 178.339 -0.039 1
1 52 . 5 1 1 A 4 4 GLN CA C 4 58.900 59.336 -0.436 1
1 53 . 5 1 1 A 4 4 GLN CB C 4 28.200 28.371 -0.171 1
1 56 . 5 1 1 A 4 4 GLN N N 4 120.700 118.618 2.082 1
1 58 . 5 1 1 A 5 5 GLN H H 5 8.670 8.108 0.562 1
1 59 . 5 1 1 A 5 5 GLN HA H 5 4.190 4.124 0.066 1
1 66 . 5 1 1 A 5 5 GLN C C 5 180.000 178.530 1.470 1
1 67 . 5 1 1 A 5 5 GLN CA C 5 58.500 58.973 -0.473 1
1 68 . 5 1 1 A 5 5 GLN CB C 5 28.900 28.397 0.503 1
1 71 . 5 1 1 A 5 5 GLN N N 5 117.700 118.430 -0.730 1
1 73 . 5 1 1 A 6 6 PHE H H 6 8.270 8.204 0.066 1
1 74 . 5 1 1 A 6 6 PHE HA H 6 4.130 4.178 -0.048 1
1 82 . 5 1 1 A 6 6 PHE C C 6 175.500 177.253 -1.753 1
1 83 . 5 1 1 A 6 6 PHE CA C 6 62.700 61.194 1.506 1
1 84 . 5 1 1 A 6 6 PHE CB C 6 39.000 39.229 -0.229 1
1 90 . 5 1 1 A 6 6 PHE N N 6 121.200 120.632 0.568 1
1 91 . 5 1 1 A 7 7 ILE H H 7 8.390 8.289 0.101 1
1 92 . 5 1 1 A 7 7 ILE HA H 7 3.280 3.408 -0.128 1
1 102 . 5 1 1 A 7 7 ILE C C 7 178.900 177.497 1.403 1
1 103 . 5 1 1 A 7 7 ILE CA C 7 66.400 65.445 0.955 1
1 104 . 5 1 1 A 7 7 ILE CB C 7 38.500 37.953 0.547 1
1 108 . 5 1 1 A 7 7 ILE N N 7 121.000 120.911 0.089 1
1 109 . 5 1 1 A 8 8 ASP H H 8 8.710 8.206 0.504 1
1 110 . 5 1 1 A 8 8 ASP HA H 8 4.370 4.535 -0.165 1
1 113 . 5 1 1 A 8 8 ASP C C 8 178.000 178.344 -0.344 1
1 114 . 5 1 1 A 8 8 ASP CA C 8 57.300 57.430 -0.130 1
1 115 . 5 1 1 A 8 8 ASP CB C 8 40.600 40.441 0.159 1
1 116 . 5 1 1 A 8 8 ASP N N 8 119.800 119.773 0.027 1
1 117 . 5 1 1 A 9 9 TYR H H 9 8.060 8.532 -0.472 1
1 118 . 5 1 1 A 9 9 TYR HA H 9 4.000 4.139 -0.139 1
1 125 . 5 1 1 A 9 9 TYR C C 9 176.500 177.351 -0.851 1
1 126 . 5 1 1 A 9 9 TYR CA C 9 61.700 61.981 -0.281 1
1 127 . 5 1 1 A 9 9 TYR CB C 9 38.600 38.393 0.207 1
1 132 . 5 1 1 A 9 9 TYR N N 9 121.600 122.537 -0.937 1
1 133 . 5 1 1 A 10 10 ALA H H 10 8.340 8.242 0.098 1
1 134 . 5 1 1 A 10 10 ALA HA H 10 3.730 3.941 -0.211 1
1 138 . 5 1 1 A 10 10 ALA C C 10 180.200 179.585 0.615 1
1 139 . 5 1 1 A 10 10 ALA CA C 10 55.200 55.106 0.094 1
1 140 . 5 1 1 A 10 10 ALA CB C 10 17.300 17.570 -0.270 1
1 141 . 5 1 1 A 10 10 ALA N N 10 120.700 121.506 -0.806 1
1 142 . 5 1 1 A 11 11 GLN H H 11 7.830 7.826 0.004 1
1 143 . 5 1 1 A 11 11 GLN HA H 11 4.130 4.115 0.015 1
1 150 . 5 1 1 A 11 11 GLN C C 11 178.300 178.308 -0.008 1
1 151 . 5 1 1 A 11 11 GLN CA C 11 59.200 58.507 0.693 1
1 152 . 5 1 1 A 11 11 GLN CB C 11 28.600 28.053 0.547 1
1 155 . 5 1 1 A 11 11 GLN N N 11 116.600 116.502 0.098 1
1 157 . 5 1 1 A 12 12 LYS H H 12 8.040 7.901 0.139 1
1 158 . 5 1 1 A 12 12 LYS HA H 12 3.890 3.924 -0.034 1
1 167 . 5 1 1 A 12 12 LYS C C 12 178.200 178.409 -0.209 1
1 168 . 5 1 1 A 12 12 LYS CA C 12 58.800 59.393 -0.593 1
1 169 . 5 1 1 A 12 12 LYS CB C 12 32.700 32.413 0.287 1
1 173 . 5 1 1 A 12 12 LYS N N 12 119.300 119.479 -0.179 1
1 174 . 5 1 1 A 13 13 LYS H H 13 8.440 7.528 0.912 1
1 175 . 5 1 1 A 13 13 LYS HA H 13 3.610 3.834 -0.224 1
1 184 . 5 1 1 A 13 13 LYS C C 13 177.600 177.775 -0.175 1
1 185 . 5 1 1 A 13 13 LYS CA C 13 56.900 58.218 -1.318 1
1 186 . 5 1 1 A 13 13 LYS CB C 13 32.000 32.481 -0.481 1
1 190 . 5 1 1 A 13 13 LYS N N 13 117.700 118.784 -1.084 1
1 191 . 5 1 1 A 14 14 TYR H H 14 6.780 8.400 -1.620 1
1 192 . 5 1 1 A 14 14 TYR HA H 14 4.530 4.754 -0.224 1
1 199 . 5 1 1 A 14 14 TYR C C 14 175.800 174.791 1.009 1
1 200 . 5 1 1 A 14 14 TYR CA C 14 56.600 57.776 -1.176 1
1 201 . 5 1 1 A 14 14 TYR CB C 14 39.500 39.053 0.447 1
1 206 . 5 1 1 A 14 14 TYR N N 14 113.100 115.062 -1.962 1
1 207 . 5 1 1 A 15 15 ASP H H 15 7.620 8.277 -0.657 1
1 208 . 5 1 1 A 15 15 ASP HA H 15 4.810 4.623 0.187 1
1 211 . 5 1 1 A 15 15 ASP C C 15 175.200 175.394 -0.194 1
1 212 . 5 1 1 A 15 15 ASP CA C 15 55.100 54.963 0.137 1
1 213 . 5 1 1 A 15 15 ASP CB C 15 39.300 38.587 0.713 1
1 214 . 5 1 1 A 15 15 ASP N N 15 119.600 118.516 1.084 1
1 215 . 5 1 1 A 16 16 THR H H 16 7.560 7.834 -0.274 1
1 216 . 5 1 1 A 16 16 THR HA H 16 4.650 4.953 -0.303 1
1 222 . 5 1 1 A 16 16 THR C C 16 173.200 172.874 0.326 1
1 223 . 5 1 1 A 16 16 THR CA C 16 61.500 60.642 0.858 1
1 224 . 5 1 1 A 16 16 THR CB C 16 71.000 71.891 -0.891 1
1 226 . 5 1 1 A 16 16 THR N N 16 113.100 114.152 -1.052 1
1 227 . 5 1 1 A 17 17 LYS H H 17 8.830 8.513 0.317 1
1 228 . 5 1 1 A 17 17 LYS HA H 17 4.690 4.853 -0.163 1
1 235 . 5 1 1 A 17 17 LYS C C 17 173.200 174.275 -1.075 1
1 236 . 5 1 1 A 17 17 LYS CA C 17 53.600 53.425 0.175 1
1 237 . 5 1 1 A 17 17 LYS CB C 17 32.800 32.256 0.544 1
1 241 . 5 1 1 A 17 17 LYS N N 17 127.200 126.652 0.548 1
1 242 . 5 1 1 A 18 18 PRO HA H 18 3.540 3.949 -0.409 1
1 249 . 5 1 1 A 18 18 PRO C C 18 175.800 174.888 0.912 1
1 250 . 5 1 1 A 18 18 PRO CA C 18 62.000 62.702 -0.702 1
1 251 . 5 1 1 A 18 18 PRO CB C 18 32.200 32.400 -0.200 1
1 254 . 5 1 1 A 19 19 ASP H H 19 8.310 8.143 0.167 1
1 255 . 5 1 1 A 19 19 ASP HA H 19 4.740 5.248 -0.508 1
1 258 . 5 1 1 A 19 19 ASP C C 19 175.100 174.155 0.945 1
1 259 . 5 1 1 A 19 19 ASP CA C 19 52.300 52.882 -0.582 1
1 260 . 5 1 1 A 19 19 ASP CB C 19 43.700 44.580 -0.880 1
1 261 . 5 1 1 A 19 19 ASP N N 19 120.300 121.142 -0.842 1
1 262 . 5 1 1 A 20 20 HIS H H 20 8.620 8.576 0.044 1
1 263 . 5 1 1 A 20 20 HIS HA H 20 5.170 5.276 -0.106 1
1 266 . 5 1 1 A 20 20 HIS CA C 20 53.200 52.376 0.824 1
1 267 . 5 1 1 A 20 20 HIS CB C 20 28.800 29.907 -1.107 1
1 268 . 5 1 1 A 20 20 HIS N N 20 118.800 120.799 -1.999 1
1 269 . 5 1 1 A 21 21 PRO HA H 21 4.190 4.343 -0.153 1
1 276 . 5 1 1 A 21 21 PRO C C 21 176.600 176.119 0.481 1
1 277 . 5 1 1 A 21 21 PRO CA C 21 63.900 63.626 0.274 1
1 278 . 5 1 1 A 21 21 PRO CB C 21 32.100 31.417 0.683 1
1 281 . 5 1 1 A 22 22 TRP H H 22 8.340 7.795 0.545 1
1 282 . 5 1 1 A 22 22 TRP HA H 22 5.000 4.819 0.181 1
1 291 . 5 1 1 A 22 22 TRP C C 22 174.200 177.432 -3.232 1
1 292 . 5 1 1 A 22 22 TRP CA C 22 57.100 56.824 0.276 1
1 293 . 5 1 1 A 22 22 TRP CB C 22 29.400 29.188 0.212 1
1 299 . 5 1 1 A 22 22 TRP N N 22 118.700 119.042 -0.342 1
1 301 . 5 1 1 A 23 23 GLU H H 23 9.030 8.888 0.142 1
1 302 . 5 1 1 A 23 23 GLU HA H 23 4.000 4.167 -0.167 1
1 307 . 5 1 1 A 23 23 GLU C C 23 177.900 177.970 -0.070 1
1 308 . 5 1 1 A 23 23 GLU CA C 23 59.100 59.246 -0.146 1
1 309 . 5 1 1 A 23 23 GLU CB C 23 29.200 29.120 0.080 1
1 311 . 5 1 1 A 23 23 GLU N N 23 128.400 124.146 4.254 1
1 312 . 5 1 1 A 24 24 LYS H H 24 8.500 7.791 0.709 1
1 313 . 5 1 1 A 24 24 LYS HA H 24 3.890 3.852 0.038 1
1 322 . 5 1 1 A 24 24 LYS C C 24 175.300 175.728 -0.428 1
1 323 . 5 1 1 A 24 24 LYS CA C 24 57.100 57.922 -0.822 1
1 324 . 5 1 1 A 24 24 LYS CB C 24 32.300 31.828 0.472 1
1 328 . 5 1 1 A 24 24 LYS N N 24 115.100 117.580 -2.480 1
1 329 . 5 1 1 A 25 25 PHE H H 25 7.010 7.748 -0.738 1
1 330 . 5 1 1 A 25 25 PHE HA H 25 4.740 4.990 -0.250 1
1 338 . 5 1 1 A 25 25 PHE C C 25 175.300 174.530 0.770 1
1 339 . 5 1 1 A 25 25 PHE CA C 25 54.300 54.983 -0.683 1
1 340 . 5 1 1 A 25 25 PHE CB C 25 39.200 38.729 0.471 1
1 346 . 5 1 1 A 25 25 PHE N N 25 115.100 117.636 -2.536 1
1 347 . 5 1 1 A 26 26 PRO HA H 26 4.380 4.720 -0.340 1
1 354 . 5 1 1 A 26 26 PRO C C 26 176.900 177.374 -0.474 1
1 355 . 5 1 1 A 26 26 PRO CA C 26 64.900 64.634 0.266 1
1 356 . 5 1 1 A 26 26 PRO CB C 26 32.200 31.834 0.366 1
1 359 . 5 1 1 A 27 27 ASP H H 27 8.860 8.576 0.284 1
1 360 . 5 1 1 A 27 27 ASP HA H 27 4.810 4.697 0.113 1
1 363 . 5 1 1 A 27 27 ASP C C 27 177.200 176.953 0.247 1
1 364 . 5 1 1 A 27 27 ASP CA C 27 53.900 55.278 -1.378 1
1 365 . 5 1 1 A 27 27 ASP CB C 27 39.900 40.718 -0.818 1
1 366 . 5 1 1 A 27 27 ASP N N 27 114.400 116.687 -2.287 1
1 367 . 5 1 1 A 28 28 TYR H H 28 8.300 7.885 0.415 1
1 368 . 5 1 1 A 28 28 TYR HA H 28 5.500 4.833 0.667 1
1 375 . 5 1 1 A 28 28 TYR C C 28 175.900 176.256 -0.356 1
1 376 . 5 1 1 A 28 28 TYR CA C 28 55.600 58.191 -2.591 1
1 377 . 5 1 1 A 28 28 TYR CB C 28 36.400 40.360 -3.960 1
1 382 . 5 1 1 A 28 28 TYR N N 28 123.700 117.564 6.136 1
1 383 . 5 1 1 A 29 29 ALA H H 29 9.240 8.419 0.821 1
1 384 . 5 1 1 A 29 29 ALA HA H 29 5.030 5.248 -0.218 1
1 388 . 5 1 1 A 29 29 ALA C C 29 174.600 175.849 -1.249 1
1 389 . 5 1 1 A 29 29 ALA CA C 29 49.700 50.961 -1.261 1
1 390 . 5 1 1 A 29 29 ALA CB C 29 22.800 22.819 -0.019 1
1 391 . 5 1 1 A 29 29 ALA N N 29 126.000 123.666 2.334 1
1 392 . 5 1 1 A 30 30 VAL H H 30 8.530 8.686 -0.156 1
1 393 . 5 1 1 A 30 30 VAL HA H 30 4.250 5.070 -0.820 1
1 401 . 5 1 1 A 30 30 VAL C C 30 173.400 174.720 -1.320 1
1 402 . 5 1 1 A 30 30 VAL CA C 30 60.300 61.251 -0.951 1
1 403 . 5 1 1 A 30 30 VAL CB C 30 34.100 33.865 0.235 1
1 406 . 5 1 1 A 30 30 VAL N N 30 119.700 121.685 -1.985 1
1 407 . 5 1 1 A 31 31 PHE H H 31 8.040 8.680 -0.640 1
1 408 . 5 1 1 A 31 31 PHE HA H 31 4.250 5.208 -0.958 1
1 416 . 5 1 1 A 31 31 PHE C C 31 173.200 175.234 -2.034 1
1 417 . 5 1 1 A 31 31 PHE CA C 31 56.700 56.472 0.228 1
1 418 . 5 1 1 A 31 31 PHE CB C 31 38.500 41.012 -2.512 1
1 424 . 5 1 1 A 31 31 PHE N N 31 124.100 126.039 -1.939 1
1 425 . 5 1 1 A 32 32 ARG H H 32 8.720 8.868 -0.148 1
1 426 . 5 1 1 A 32 32 ARG HA H 32 5.320 5.058 0.262 1
1 434 . 5 1 1 A 32 32 ARG C C 32 176.400 174.792 1.608 1
1 435 . 5 1 1 A 32 32 ARG CA C 32 53.400 53.941 -0.541 1
1 436 . 5 1 1 A 32 32 ARG CB C 32 34.200 34.519 -0.319 1
1 440 . 5 1 1 A 32 32 ARG N N 32 122.300 122.089 0.211 1
1 442 . 5 1 1 A 33 33 HIS H H 33 8.560 9.358 -0.798 1
1 443 . 5 1 1 A 33 33 HIS HA H 33 4.710 4.963 -0.253 1
1 446 . 5 1 1 A 33 33 HIS C C 33 176.400 175.352 1.048 1
1 447 . 5 1 1 A 33 33 HIS CA C 33 56.500 55.105 1.395 1
1 448 . 5 1 1 A 33 33 HIS CB C 33 28.900 30.570 -1.670 1
1 449 . 5 1 1 A 33 33 HIS N N 33 119.800 124.137 -4.337 1
1 450 . 5 1 1 A 34 34 SER H H 34 9.160 8.772 0.388 1
1 451 . 5 1 1 A 34 34 SER HA H 34 4.390 4.281 0.109 1
1 454 . 5 1 1 A 34 34 SER C C 34 174.900 176.427 -1.527 1
1 455 . 5 1 1 A 34 34 SER CA C 34 60.400 61.037 -0.637 1
1 456 . 5 1 1 A 34 34 SER CB C 34 63.200 62.771 0.429 1
1 457 . 5 1 1 A 34 34 SER N N 34 118.700 122.000 -3.300 1
1 458 . 5 1 1 A 35 35 ASP H H 35 8.660 8.094 0.566 1
1 459 . 5 1 1 A 35 35 ASP HA H 35 4.570 4.355 0.215 1
1 462 . 5 1 1 A 35 35 ASP C C 35 177.000 177.795 -0.795 1
1 463 . 5 1 1 A 35 35 ASP CA C 35 54.300 57.151 -2.851 1
1 464 . 5 1 1 A 35 35 ASP CB C 35 39.700 40.773 -1.073 1
1 465 . 5 1 1 A 35 35 ASP N N 35 118.200 121.817 -3.617 1
1 466 . 5 1 1 A 36 36 ASN H H 36 7.900 8.360 -0.460 1
1 467 . 5 1 1 A 36 36 ASN HA H 36 4.660 4.952 -0.292 1
1 472 . 5 1 1 A 36 36 ASN C C 36 175.100 175.741 -0.641 1
1 473 . 5 1 1 A 36 36 ASN CA C 36 52.000 53.263 -1.263 1
1 474 . 5 1 1 A 36 36 ASN CB C 36 38.900 41.033 -2.133 1
1 476 . 5 1 1 A 36 36 ASN N N 36 116.200 114.544 1.656 1
1 478 . 5 1 1 A 37 37 ASP H H 37 7.890 8.980 -1.090 1
1 479 . 5 1 1 A 37 37 ASP HA H 37 4.670 4.748 -0.078 1
1 482 . 5 1 1 A 37 37 ASP C C 37 175.800 175.102 0.698 1
1 483 . 5 1 1 A 37 37 ASP CA C 37 55.800 56.073 -0.273 1
1 484 . 5 1 1 A 37 37 ASP CB C 37 40.500 39.378 1.122 1
1 485 . 5 1 1 A 37 37 ASP N N 37 115.300 117.912 -2.612 1
1 486 . 5 1 1 A 38 38 LYS H H 38 8.310 8.459 -0.149 1
1 487 . 5 1 1 A 38 38 LYS HA H 38 4.390 3.531 0.859 1
1 496 . 5 1 1 A 38 38 LYS C C 38 175.300 174.663 0.637 1
1 497 . 5 1 1 A 38 38 LYS CA C 38 56.700 57.202 -0.502 1
1 498 . 5 1 1 A 38 38 LYS CB C 38 32.500 29.905 2.595 1
1 502 . 5 1 1 A 38 38 LYS N N 38 119.300 116.411 2.889 1
1 503 . 5 1 1 A 39 39 TRP HA H 39 5.000 5.097 -0.097 1
1 512 . 5 1 1 A 39 39 TRP C C 39 176.100 174.494 1.606 1
1 513 . 5 1 1 A 39 39 TRP CA C 39 55.700 55.903 -0.203 1
1 514 . 5 1 1 A 39 39 TRP CB C 39 30.300 31.706 -1.406 1
1 521 . 5 1 1 A 40 40 TYR H H 40 9.270 9.111 0.159 1
1 522 . 5 1 1 A 40 40 TYR HA H 40 5.280 5.246 0.034 1
1 525 . 5 1 1 A 40 40 TYR C C 40 175.400 175.191 0.209 1
1 526 . 5 1 1 A 40 40 TYR CA C 40 55.700 56.128 -0.428 1
1 527 . 5 1 1 A 40 40 TYR CB C 40 40.300 40.559 -0.259 1
1 528 . 5 1 1 A 40 40 TYR N N 40 114.000 120.888 -6.888 1
1 529 . 5 1 1 A 41 41 ALA H H 41 7.760 8.777 -1.017 1
1 530 . 5 1 1 A 41 41 ALA HA H 41 5.580 5.011 0.569 1
1 534 . 5 1 1 A 41 41 ALA C C 41 177.300 175.914 1.386 1
1 535 . 5 1 1 A 41 41 ALA CA C 41 52.900 51.589 1.311 1
1 536 . 5 1 1 A 41 41 ALA CB C 41 21.900 20.574 1.326 1
1 537 . 5 1 1 A 41 41 ALA N N 41 121.500 123.773 -2.273 1
1 538 . 5 1 1 A 42 42 LEU H H 42 8.300 9.200 -0.900 1
1 539 . 5 1 1 A 42 42 LEU HA H 42 5.200 5.382 -0.182 1
1 549 . 5 1 1 A 42 42 LEU C C 42 173.300 175.181 -1.881 1
1 550 . 5 1 1 A 42 42 LEU CA C 42 54.100 53.523 0.577 1
1 551 . 5 1 1 A 42 42 LEU CB C 42 45.900 43.732 2.168 1
1 555 . 5 1 1 A 42 42 LEU N N 42 123.700 124.143 -0.443 1
1 556 . 5 1 1 A 43 43 LEU H H 43 9.700 8.931 0.769 1
1 557 . 5 1 1 A 43 43 LEU HA H 43 5.250 5.273 -0.023 1
1 567 . 5 1 1 A 43 43 LEU C C 43 173.300 175.209 -1.909 1
1 568 . 5 1 1 A 43 43 LEU CA C 43 54.000 53.518 0.482 1
1 569 . 5 1 1 A 43 43 LEU CB C 43 46.000 45.736 0.264 1
1 573 . 5 1 1 A 43 43 LEU N N 43 130.400 127.841 2.559 1
1 574 . 5 1 1 A 44 44 MET H H 44 8.800 8.407 0.393 1
1 575 . 5 1 1 A 44 44 MET HA H 44 4.420 4.881 -0.461 1
1 583 . 5 1 1 A 44 44 MET C C 44 172.500 173.226 -0.726 1
1 584 . 5 1 1 A 44 44 MET CA C 44 55.000 53.764 1.236 1
1 585 . 5 1 1 A 44 44 MET CB C 44 39.100 35.036 4.064 1
1 588 . 5 1 1 A 44 44 MET N N 44 122.800 122.381 0.419 1
1 589 . 5 1 1 A 45 45 ASP H H 45 7.960 8.524 -0.564 1
1 590 . 5 1 1 A 45 45 ASP HA H 45 5.490 5.301 0.189 1
1 593 . 5 1 1 A 45 45 ASP C C 45 175.200 175.706 -0.506 1
1 594 . 5 1 1 A 45 45 ASP CA C 45 51.900 53.557 -1.657 1
1 595 . 5 1 1 A 45 45 ASP CB C 45 40.800 41.836 -1.036 1
1 596 . 5 1 1 A 45 45 ASP N N 45 119.400 119.057 0.343 1
1 597 . 5 1 1 A 46 46 ILE H H 46 8.800 8.367 0.433 1
1 598 . 5 1 1 A 46 46 ILE HA H 46 4.870 4.890 -0.020 1
1 608 . 5 1 1 A 46 46 ILE CA C 46 57.700 57.044 0.656 1
1 609 . 5 1 1 A 46 46 ILE CB C 46 40.100 39.892 0.208 1
1 613 . 5 1 1 A 46 46 ILE N N 46 117.400 118.222 -0.822 1
1 614 . 5 1 1 A 47 47 PRO HA H 47 4.420 4.487 -0.067 1
1 621 . 5 1 1 A 47 47 PRO C C 47 177.800 177.398 0.402 1
1 622 . 5 1 1 A 47 47 PRO CA C 47 63.000 62.834 0.166 1
1 623 . 5 1 1 A 47 47 PRO CB C 47 31.900 32.778 -0.878 1
1 626 . 5 1 1 A 48 48 ALA H H 48 8.550 8.934 -0.384 1
1 627 . 5 1 1 A 48 48 ALA HA H 48 3.550 3.973 -0.423 1
1 631 . 5 1 1 A 48 48 ALA C C 48 179.200 179.604 -0.404 1
1 632 . 5 1 1 A 48 48 ALA CA C 48 55.200 54.734 0.466 1
1 633 . 5 1 1 A 48 48 ALA CB C 48 17.700 18.125 -0.425 1
1 634 . 5 1 1 A 48 48 ALA N N 48 130.100 127.359 2.741 1
1 635 . 5 1 1 A 49 49 GLU H H 49 8.700 8.327 0.373 1
1 636 . 5 1 1 A 49 49 GLU HA H 49 4.180 4.017 0.163 1
1 641 . 5 1 1 A 49 49 GLU C C 49 179.800 179.475 0.325 1
1 642 . 5 1 1 A 49 49 GLU CA C 49 58.200 59.525 -1.325 1
1 643 . 5 1 1 A 49 49 GLU CB C 49 28.200 29.129 -0.929 1
1 645 . 5 1 1 A 49 49 GLU N N 49 114.900 118.403 -3.503 1
1 646 . 5 1 1 A 50 50 LYS H H 50 7.910 7.562 0.348 1
1 647 . 5 1 1 A 50 50 LYS HA H 50 4.060 4.055 0.005 1
1 656 . 5 1 1 A 50 50 LYS C C 50 178.100 178.723 -0.623 1
1 657 . 5 1 1 A 50 50 LYS CA C 50 56.900 59.539 -2.639 1
1 658 . 5 1 1 A 50 50 LYS CB C 50 31.700 32.558 -0.858 1
1 662 . 5 1 1 A 50 50 LYS N N 50 118.100 119.630 -1.530 1
1 663 . 5 1 1 A 51 51 ILE H H 51 7.190 7.372 -0.182 1
1 664 . 5 1 1 A 51 51 ILE HA H 51 4.490 4.066 0.424 1
1 674 . 5 1 1 A 51 51 ILE C C 51 175.300 176.131 -0.831 1
1 675 . 5 1 1 A 51 51 ILE CA C 51 60.100 60.614 -0.514 1
1 676 . 5 1 1 A 51 51 ILE CB C 51 37.400 37.103 0.297 1
1 680 . 5 1 1 A 51 51 ILE N N 51 109.000 112.319 -3.319 1
1 681 . 5 1 1 A 52 52 GLY H H 52 7.370 7.587 -0.217 1
1 682 . 5 1 1 A 52 52 GLY HA2 H 52 4.050 3.924 0.126 1
1 683 . 5 1 1 A 52 52 GLY HA3 H 52 3.730 3.938 -0.208 1
1 684 . 5 1 1 A 52 52 GLY C C 52 174.200 174.585 -0.385 1
1 685 . 5 1 1 A 52 52 GLY CA C 52 46.100 46.487 -0.387 1
1 686 . 5 1 1 A 52 52 GLY N N 52 106.900 110.559 -3.659 1
1 687 . 5 1 1 A 53 53 ILE H H 53 7.260 7.563 -0.303 1
1 688 . 5 1 1 A 53 53 ILE HA H 53 4.040 4.267 -0.227 1
1 698 . 5 1 1 A 53 53 ILE C C 53 174.700 176.254 -1.554 1
1 699 . 5 1 1 A 53 53 ILE CA C 53 60.500 59.699 0.801 1
1 700 . 5 1 1 A 53 53 ILE CB C 53 38.700 39.405 -0.705 1
1 704 . 5 1 1 A 53 53 ILE N N 53 121.900 121.056 0.844 1
1 705 . 5 1 1 A 54 54 ASN H H 54 8.280 9.194 -0.914 1
1 706 . 5 1 1 A 54 54 ASN HA H 54 4.540 4.536 0.004 1
1 711 . 5 1 1 A 54 54 ASN C C 54 175.400 174.768 0.632 1
1 712 . 5 1 1 A 54 54 ASN CA C 54 53.700 54.946 -1.246 1
1 713 . 5 1 1 A 54 54 ASN CB C 54 39.000 38.737 0.263 1
1 715 . 5 1 1 A 54 54 ASN N N 54 123.300 124.960 -1.660 1
1 717 . 5 1 1 A 55 55 GLY H H 55 8.240 7.885 0.355 1
1 718 . 5 1 1 A 55 55 GLY HA2 H 55 4.230 4.097 0.133 1
1 719 . 5 1 1 A 55 55 GLY HA3 H 55 3.740 4.104 -0.364 1
1 720 . 5 1 1 A 55 55 GLY C C 55 173.200 172.982 0.218 1
1 721 . 5 1 1 A 55 55 GLY CA C 55 44.800 45.373 -0.573 1
1 722 . 5 1 1 A 55 55 GLY N N 55 110.200 106.094 4.106 1
1 723 . 5 1 1 A 56 56 ASP H H 56 8.320 8.729 -0.409 1
1 724 . 5 1 1 A 56 56 ASP HA H 56 4.700 4.172 0.528 1
1 727 . 5 1 1 A 56 56 ASP C C 56 175.800 174.142 1.658 1
1 728 . 5 1 1 A 56 56 ASP CA C 56 53.400 55.525 -2.125 1
1 729 . 5 1 1 A 56 56 ASP CB C 56 40.500 39.293 1.207 1
1 730 . 5 1 1 A 56 56 ASP N N 56 119.000 122.997 -3.997 1
1 731 . 5 1 1 A 57 57 LYS H H 57 7.780 7.677 0.103 1
1 732 . 5 1 1 A 57 57 LYS HA H 57 4.400 4.757 -0.357 1
1 741 . 5 1 1 A 57 57 LYS C C 57 175.700 175.594 0.106 1
1 742 . 5 1 1 A 57 57 LYS CA C 57 55.600 54.778 0.822 1
1 743 . 5 1 1 A 57 57 LYS CB C 57 33.700 34.733 -1.033 1
1 747 . 5 1 1 A 57 57 LYS N N 57 119.500 118.571 0.929 1
1 748 . 5 1 1 A 58 58 ARG H H 58 8.410 8.683 -0.273 1
1 749 . 5 1 1 A 58 58 ARG HA H 58 4.740 4.582 0.158 1
1 757 . 5 1 1 A 58 58 ARG C C 58 176.200 175.992 0.208 1
1 758 . 5 1 1 A 58 58 ARG CA C 58 55.300 56.766 -1.466 1
1 759 . 5 1 1 A 58 58 ARG CB C 58 31.700 30.986 0.714 1
1 763 . 5 1 1 A 58 58 ARG N N 58 120.900 129.145 -8.245 1
1 765 . 5 1 1 A 59 59 VAL H H 59 9.030 8.452 0.578 1
1 766 . 5 1 1 A 59 59 VAL HA H 59 4.570 5.096 -0.526 1
1 774 . 5 1 1 A 59 59 VAL C C 59 173.900 173.904 -0.004 1
1 775 . 5 1 1 A 59 59 VAL CA C 59 58.700 58.627 0.073 1
1 776 . 5 1 1 A 59 59 VAL CB C 59 34.700 35.877 -1.177 1
1 779 . 5 1 1 A 59 59 VAL N N 59 115.600 119.173 -3.573 1
1 780 . 5 1 1 A 60 60 ASP H H 60 8.290 8.585 -0.295 1
1 781 . 5 1 1 A 60 60 ASP HA H 60 5.560 5.400 0.160 1
1 784 . 5 1 1 A 60 60 ASP C C 60 175.800 175.636 0.164 1
1 785 . 5 1 1 A 60 60 ASP CA C 60 53.600 53.270 0.330 1
1 786 . 5 1 1 A 60 60 ASP CB C 60 43.100 42.651 0.449 1
1 787 . 5 1 1 A 60 60 ASP N N 60 120.700 121.223 -0.523 1
1 788 . 5 1 1 A 61 61 VAL H H 61 9.080 8.612 0.468 1
1 789 . 5 1 1 A 61 61 VAL HA H 61 5.150 5.201 -0.051 1
1 797 . 5 1 1 A 61 61 VAL C C 61 173.800 174.216 -0.416 1
1 798 . 5 1 1 A 61 61 VAL CA C 61 57.600 59.138 -1.538 1
1 799 . 5 1 1 A 61 61 VAL CB C 61 35.500 35.803 -0.303 1
1 802 . 5 1 1 A 61 61 VAL N N 61 115.200 117.295 -2.095 1
1 803 . 5 1 1 A 62 62 ILE H H 62 8.530 8.373 0.157 1
1 804 . 5 1 1 A 62 62 ILE HA H 62 5.550 5.161 0.389 1
1 814 . 5 1 1 A 62 62 ILE CA C 62 57.800 58.467 -0.667 1
1 815 . 5 1 1 A 62 62 ILE CB C 62 41.700 41.665 0.035 1
1 819 . 5 1 1 A 62 62 ILE N N 62 112.000 118.646 -6.646 1
1 820 . 5 1 1 A 64 64 LEU HA H 64 4.960 5.213 -0.253 1
1 830 . 5 1 1 A 64 64 LEU C C 64 173.100 174.968 -1.868 1
1 831 . 5 1 1 A 64 64 LEU CA C 64 53.500 53.350 0.150 1
1 832 . 5 1 1 A 64 64 LEU CB C 64 47.000 46.162 0.838 1
1 836 . 5 1 1 A 65 65 LYS H H 65 8.470 8.894 -0.424 1
1 837 . 5 1 1 A 65 65 LYS HA H 65 3.760 5.131 -1.371 1
1 846 . 5 1 1 A 65 65 LYS C C 65 175.100 176.385 -1.285 1
1 847 . 5 1 1 A 65 65 LYS CA C 65 55.700 56.207 -0.507 1
1 848 . 5 1 1 A 65 65 LYS CB C 65 33.600 33.608 -0.008 1
1 852 . 5 1 1 A 65 65 LYS N N 65 126.700 128.691 -1.991 1
1 853 . 5 1 1 A 66 66 VAL H H 66 7.840 8.648 -0.808 1
1 854 . 5 1 1 A 66 66 VAL HA H 66 4.410 4.908 -0.498 1
1 862 . 5 1 1 A 66 66 VAL C C 66 175.300 174.827 0.473 1
1 863 . 5 1 1 A 66 66 VAL CA C 66 58.300 58.876 -0.576 1
1 864 . 5 1 1 A 66 66 VAL CB C 66 36.400 36.061 0.339 1
1 867 . 5 1 1 A 66 66 VAL N N 66 116.000 119.071 -3.071 1
1 868 . 5 1 1 A 67 67 GLN H H 67 8.620 8.445 0.175 1
1 869 . 5 1 1 A 67 67 GLN HA H 67 4.350 4.510 -0.160 1
1 876 . 5 1 1 A 67 67 GLN CA C 67 54.900 54.034 0.866 1
1 877 . 5 1 1 A 67 67 GLN CB C 67 27.600 28.136 -0.536 1
1 880 . 5 1 1 A 67 67 GLN N N 67 123.000 120.693 2.307 1
1 882 . 5 1 1 A 68 68 PRO HA H 68 4.200 4.257 -0.057 1
1 889 . 5 1 1 A 68 68 PRO C C 68 179.400 177.621 1.779 1
1 890 . 5 1 1 A 68 68 PRO CA C 68 65.100 64.364 0.736 1
1 891 . 5 1 1 A 68 68 PRO CB C 68 31.700 31.779 -0.079 1
1 894 . 5 1 1 A 69 69 GLU H H 69 9.620 8.434 1.186 1
1 895 . 5 1 1 A 69 69 GLU HA H 69 4.190 4.188 0.002 1
1 900 . 5 1 1 A 69 69 GLU C C 69 177.100 177.945 -0.845 1
1 901 . 5 1 1 A 69 69 GLU CA C 69 58.600 57.878 0.722 1
1 902 . 5 1 1 A 69 69 GLU CB C 69 28.100 30.001 -1.901 1
1 904 . 5 1 1 A 69 69 GLU N N 69 116.900 116.653 0.247 1
1 905 . 5 1 1 A 70 70 LEU H H 70 7.940 7.687 0.253 1
1 906 . 5 1 1 A 70 70 LEU HA H 70 4.460 4.406 0.054 1
1 916 . 5 1 1 A 70 70 LEU C C 70 177.600 177.326 0.274 1
1 917 . 5 1 1 A 70 70 LEU CA C 70 54.500 54.644 -0.144 1
1 918 . 5 1 1 A 70 70 LEU CB C 70 42.800 41.676 1.124 1
1 922 . 5 1 1 A 70 70 LEU N N 70 118.700 118.136 0.564 1
1 923 . 5 1 1 A 71 71 VAL H H 71 7.080 7.702 -0.622 1
1 924 . 5 1 1 A 71 71 VAL HA H 71 3.210 3.770 -0.560 1
1 932 . 5 1 1 A 71 71 VAL C C 71 176.800 178.060 -1.260 1
1 933 . 5 1 1 A 71 71 VAL CA C 71 67.700 65.965 1.735 1
1 934 . 5 1 1 A 71 71 VAL CB C 71 32.000 30.991 1.009 1
1 937 . 5 1 1 A 71 71 VAL N N 71 120.300 121.001 -0.701 1
1 938 . 5 1 1 A 72 72 GLY H H 72 8.540 8.436 0.104 1
1 939 . 5 1 1 A 72 72 GLY HA2 H 72 3.770 3.862 -0.092 1
1 940 . 5 1 1 A 72 72 GLY HA3 H 72 3.630 3.865 -0.235 1
1 941 . 5 1 1 A 72 72 GLY C C 72 176.300 176.216 0.084 1
1 942 . 5 1 1 A 72 72 GLY CA C 72 47.000 46.283 0.717 1
1 943 . 5 1 1 A 72 72 GLY N N 72 105.300 109.054 -3.754 1
1 944 . 5 1 1 A 73 73 SER H H 73 7.870 7.826 0.044 1
1 945 . 5 1 1 A 73 73 SER HA H 73 4.170 4.239 -0.069 1
1 948 . 5 1 1 A 73 73 SER C C 73 178.000 176.568 1.432 1
1 949 . 5 1 1 A 73 73 SER CA C 73 60.600 62.659 -2.059 1
1 950 . 5 1 1 A 73 73 SER CB C 73 62.700 63.121 -0.421 1
1 951 . 5 1 1 A 73 73 SER N N 73 115.700 118.805 -3.105 1
1 952 . 5 1 1 A 74 74 LEU H H 74 8.340 7.398 0.942 1
1 953 . 5 1 1 A 74 74 LEU HA H 74 4.000 4.006 -0.006 1
1 963 . 5 1 1 A 74 74 LEU C C 74 178.400 178.826 -0.426 1
1 964 . 5 1 1 A 74 74 LEU CA C 74 57.900 57.825 0.075 1
1 965 . 5 1 1 A 74 74 LEU CB C 74 41.700 41.319 0.381 1
1 969 . 5 1 1 A 74 74 LEU N N 74 124.600 118.685 5.915 1
1 970 . 5 1 1 A 75 75 ARG H H 75 7.850 7.697 0.153 1
1 971 . 5 1 1 A 75 75 ARG HA H 75 3.750 3.850 -0.100 1
1 979 . 5 1 1 A 75 75 ARG C C 75 176.500 178.363 -1.863 1
1 980 . 5 1 1 A 75 75 ARG CA C 75 57.800 59.226 -1.426 1
1 981 . 5 1 1 A 75 75 ARG CB C 75 29.500 29.696 -0.196 1
1 985 . 5 1 1 A 75 75 ARG N N 75 113.300 119.513 -6.213 1
1 987 . 5 1 1 A 76 76 LYS H H 76 7.100 7.540 -0.440 1
1 988 . 5 1 1 A 76 76 LYS HA H 76 4.210 3.982 0.228 1
1 997 . 5 1 1 A 76 76 LYS C C 76 177.000 177.233 -0.233 1
1 998 . 5 1 1 A 76 76 LYS CA C 76 56.500 59.019 -2.519 1
1 999 . 5 1 1 A 76 76 LYS CB C 76 32.700 31.907 0.793 1
1 1003 . 5 1 1 A 76 76 LYS N N 76 116.600 119.072 -2.472 1
1 1004 . 5 1 1 A 77 77 LYS H H 77 7.830 7.293 0.537 1
1 1005 . 5 1 1 A 77 77 LYS HA H 77 4.470 4.381 0.089 1
1 1014 . 5 1 1 A 77 77 LYS CA C 77 54.500 54.444 0.056 1
1 1015 . 5 1 1 A 77 77 LYS CB C 77 31.800 32.727 -0.927 1
1 1019 . 5 1 1 A 77 77 LYS N N 77 122.900 120.130 2.770 1
1 1020 . 5 1 1 A 78 78 PRO HA H 78 4.190 4.110 0.080 1
1 1027 . 5 1 1 A 78 78 PRO C C 78 176.600 177.140 -0.540 1
1 1028 . 5 1 1 A 78 78 PRO CA C 78 63.700 63.588 0.112 1
1 1029 . 5 1 1 A 78 78 PRO CB C 78 31.900 31.586 0.314 1
1 1032 . 5 1 1 A 79 79 GLY H H 79 8.290 8.705 -0.415 1
1 1033 . 5 1 1 A 79 79 GLY HA2 H 79 4.350 3.888 0.462 1
1 1034 . 5 1 1 A 79 79 GLY HA3 H 79 3.590 3.952 -0.362 1
1 1035 . 5 1 1 A 79 79 GLY C C 79 172.000 173.802 -1.802 1
1 1036 . 5 1 1 A 79 79 GLY CA C 79 45.500 45.284 0.216 1
1 1037 . 5 1 1 A 79 79 GLY N N 79 109.300 111.377 -2.077 1
1 1038 . 5 1 1 A 80 80 ILE H H 80 7.300 7.444 -0.144 1
1 1039 . 5 1 1 A 80 80 ILE HA H 80 4.770 4.301 0.469 1
1 1049 . 5 1 1 A 80 80 ILE C C 80 174.200 174.702 -0.502 1
1 1050 . 5 1 1 A 80 80 ILE CA C 80 60.500 60.571 -0.071 1
1 1051 . 5 1 1 A 80 80 ILE CB C 80 37.000 39.339 -2.339 1
1 1055 . 5 1 1 A 80 80 ILE N N 80 119.200 122.220 -3.020 1
1 1056 . 5 1 1 A 81 81 TYR H H 81 9.490 8.688 0.802 1
1 1057 . 5 1 1 A 81 81 TYR HA H 81 4.840 4.984 -0.144 1
1 1064 . 5 1 1 A 81 81 TYR CA C 81 56.800 55.764 1.036 1
1 1065 . 5 1 1 A 81 81 TYR CB C 81 39.800 39.716 0.084 1
1 1070 . 5 1 1 A 81 81 TYR N N 81 126.100 126.634 -0.534 1
1 1071 . 5 1 1 A 82 82 PRO HA H 82 4.610 4.572 0.038 1
1 1078 . 5 1 1 A 82 82 PRO CA C 82 62.300 62.836 -0.536 1
1 1079 . 5 1 1 A 82 82 PRO CB C 82 32.000 32.300 -0.300 1
1 1082 . 5 1 1 A 83 83 ALA HA H 83 4.140 4.518 -0.378 1
1 1086 . 5 1 1 A 84 84 TYR HA H 84 4.470 4.603 -0.133 1
1 1093 . 5 1 1 A 84 84 TYR CA C 84 57.500 58.164 -0.664 1
1 1094 . 5 1 1 A 84 84 TYR CB C 84 39.500 38.820 0.680 1
1 1099 . 5 1 1 A 87 87 ASN HA H 87 4.410 3.997 0.413 1
1 1104 . 5 1 1 A 87 87 ASN C C 87 176.500 175.109 1.391 1
1 1105 . 5 1 1 A 87 87 ASN CA C 87 55.100 53.951 1.149 1
1 1106 . 5 1 1 A 87 87 ASN CB C 87 40.600 35.990 4.610 1
1 1109 . 5 1 1 A 88 88 LYS H H 88 8.710 7.888 0.822 1
1 1110 . 5 1 1 A 88 88 LYS HA H 88 4.320 3.831 0.489 1
1 1119 . 5 1 1 A 88 88 LYS C C 88 177.600 178.812 -1.212 1
1 1120 . 5 1 1 A 88 88 LYS CA C 88 58.100 59.269 -1.169 1
1 1121 . 5 1 1 A 88 88 LYS CB C 88 33.000 32.100 0.900 1
1 1125 . 5 1 1 A 88 88 LYS N N 88 123.800 118.641 5.159 1
1 1126 . 5 1 1 A 89 89 GLU H H 89 8.390 8.126 0.264 1
1 1127 . 5 1 1 A 89 89 GLU HA H 89 4.270 4.159 0.111 1
1 1132 . 5 1 1 A 89 89 GLU C C 89 176.500 177.684 -1.184 1
1 1133 . 5 1 1 A 89 89 GLU CA C 89 57.800 58.058 -0.258 1
1 1134 . 5 1 1 A 89 89 GLU CB C 89 30.100 30.146 -0.046 1
1 1136 . 5 1 1 A 89 89 GLU N N 89 117.000 118.423 -1.423 1
1 1137 . 5 1 1 A 90 90 HIS H H 90 7.600 7.781 -0.181 1
1 1138 . 5 1 1 A 90 90 HIS HA H 90 4.580 4.474 0.106 1
1 1142 . 5 1 1 A 90 90 HIS C C 90 170.800 174.961 -4.161 1
1 1143 . 5 1 1 A 90 90 HIS CA C 90 55.500 57.836 -2.336 1
1 1144 . 5 1 1 A 90 90 HIS CB C 90 32.200 31.183 1.017 1
1 1145 . 5 1 1 A 90 90 HIS N N 90 111.500 114.425 -2.925 1
1 1146 . 5 1 1 A 91 91 TRP H H 91 7.650 8.034 -0.384 1
1 1147 . 5 1 1 A 91 91 TRP HA H 91 5.610 5.311 0.299 1
1 1156 . 5 1 1 A 91 91 TRP C C 91 174.600 175.642 -1.042 1
1 1157 . 5 1 1 A 91 91 TRP CA C 91 55.500 55.590 -0.090 1
1 1158 . 5 1 1 A 91 91 TRP CB C 91 31.700 32.032 -0.332 1
1 1163 . 5 1 1 A 91 91 TRP N N 91 117.400 116.206 1.194 1
1 1165 . 5 1 1 A 92 92 ILE H H 92 9.100 9.290 -0.190 1
1 1166 . 5 1 1 A 92 92 ILE HA H 92 4.630 4.911 -0.281 1
1 1176 . 5 1 1 A 92 92 ILE C C 92 174.500 174.787 -0.287 1
1 1177 . 5 1 1 A 92 92 ILE CA C 92 59.800 59.690 0.110 1
1 1178 . 5 1 1 A 92 92 ILE CB C 92 42.500 41.250 1.250 1
1 1182 . 5 1 1 A 92 92 ILE N N 92 111.700 124.090 -12.390 1
1 1183 . 5 1 1 A 93 93 THR H H 93 8.570 8.508 0.062 1
1 1184 . 5 1 1 A 93 93 THR HA H 93 4.250 4.677 -0.427 1
1 1190 . 5 1 1 A 93 93 THR CA C 93 61.800 62.044 -0.244 1
1 1191 . 5 1 1 A 93 93 THR CB C 93 70.200 70.041 0.159 1
1 1193 . 5 1 1 A 93 93 THR N N 93 117.600 123.284 -5.684 1
1 1194 . 5 1 1 A 94 94 VAL HA H 94 4.680 4.684 -0.004 1
1 1202 . 5 1 1 A 94 94 VAL C C 94 175.400 174.609 0.791 1
1 1203 . 5 1 1 A 94 94 VAL CA C 94 60.700 60.851 -0.151 1
1 1204 . 5 1 1 A 94 94 VAL CB C 94 34.100 34.385 -0.285 1
1 1207 . 5 1 1 A 95 95 LEU H H 95 8.080 8.562 -0.482 1
1 1208 . 5 1 1 A 95 95 LEU HA H 95 4.330 4.579 -0.249 1
1 1218 . 5 1 1 A 95 95 LEU C C 95 176.400 176.203 0.197 1
1 1219 . 5 1 1 A 95 95 LEU CA C 95 55.000 54.360 0.640 1
1 1220 . 5 1 1 A 95 95 LEU CB C 95 44.300 42.008 2.292 1
1 1224 . 5 1 1 A 95 95 LEU N N 95 127.500 127.949 -0.449 1
1 1225 . 5 1 1 A 96 96 LEU H H 96 8.050 8.340 -0.290 1
1 1226 . 5 1 1 A 96 96 LEU HA H 96 4.150 3.994 0.156 1
1 1236 . 5 1 1 A 96 96 LEU C C 96 177.400 178.546 -1.146 1
1 1237 . 5 1 1 A 96 96 LEU CA C 96 56.500 58.069 -1.569 1
1 1238 . 5 1 1 A 96 96 LEU CB C 96 40.500 41.422 -0.922 1
1 1242 . 5 1 1 A 96 96 LEU N N 96 128.100 127.136 0.964 1
1 1243 . 5 1 1 A 97 97 ASN H H 97 8.690 7.953 0.737 1
1 1244 . 5 1 1 A 97 97 ASN HA H 97 4.740 4.748 -0.008 1
1 1249 . 5 1 1 A 97 97 ASN C C 97 174.900 175.948 -1.048 1
1 1250 . 5 1 1 A 97 97 ASN CA C 97 53.000 54.287 -1.287 1
1 1251 . 5 1 1 A 97 97 ASN CB C 97 37.700 38.730 -1.030 1
1 1252 . 5 1 1 A 97 97 ASN N N 97 117.200 114.572 2.628 1
1 1254 . 5 1 1 A 98 98 GLY H H 98 7.820 8.091 -0.271 1
1 1255 . 5 1 1 A 98 98 GLY HA2 H 98 4.470 4.108 0.362 1
1 1256 . 5 1 1 A 98 98 GLY HA3 H 98 3.740 4.110 -0.370 1
1 1257 . 5 1 1 A 98 98 GLY C C 98 174.900 174.770 0.130 1
1 1258 . 5 1 1 A 98 98 GLY CA C 98 44.900 44.259 0.641 1
1 1259 . 5 1 1 A 98 98 GLY N N 98 108.600 108.143 0.457 1
1 1260 . 5 1 1 A 99 99 PRO HA H 99 4.380 4.561 -0.181 1
1 1267 . 5 1 1 A 99 99 PRO C C 99 177.400 176.045 1.355 1
1 1268 . 5 1 1 A 99 99 PRO CA C 99 63.900 63.732 0.168 1
1 1269 . 5 1 1 A 99 99 PRO CB C 99 32.400 32.065 0.335 1
1 1272 . 5 1 1 A 100 100 LEU H H 100 7.750 7.475 0.275 1
1 1273 . 5 1 1 A 100 100 LEU HA H 100 4.280 4.444 -0.164 1
1 1283 . 5 1 1 A 100 100 LEU C C 100 177.400 177.064 0.336 1
1 1284 . 5 1 1 A 100 100 LEU CA C 100 55.800 53.579 2.221 1
1 1285 . 5 1 1 A 100 100 LEU CB C 100 42.600 42.834 -0.234 1
1 1289 . 5 1 1 A 100 100 LEU N N 100 120.300 116.697 3.603 1
1 1290 . 5 1 1 A 101 101 GLY H H 101 8.620 8.352 0.268 1
1 1291 . 5 1 1 A 101 101 GLY HA2 H 101 4.110 4.097 0.013 1
1 1292 . 5 1 1 A 101 101 GLY HA3 H 101 3.890 4.107 -0.217 1
1 1293 . 5 1 1 A 101 101 GLY C C 101 173.600 174.764 -1.164 1
1 1294 . 5 1 1 A 101 101 GLY CA C 101 44.300 44.071 0.229 1
1 1295 . 5 1 1 A 101 101 GLY N N 101 110.600 107.304 3.296 1
1 1296 . 5 1 1 A 102 102 ALA H H 102 8.310 8.895 -0.585 1
1 1297 . 5 1 1 A 102 102 ALA HA H 102 3.520 3.859 -0.339 1
1 1301 . 5 1 1 A 102 102 ALA C C 102 178.900 179.595 -0.695 1
1 1302 . 5 1 1 A 102 102 ALA CA C 102 55.400 54.431 0.969 1
1 1303 . 5 1 1 A 102 102 ALA CB C 102 18.600 18.071 0.529 1
1 1304 . 5 1 1 A 102 102 ALA N N 102 122.000 122.586 -0.586 1
1 1305 . 5 1 1 A 103 103 LYS H H 103 8.360 7.899 0.461 1
1 1306 . 5 1 1 A 103 103 LYS HA H 103 3.730 3.738 -0.008 1
1 1315 . 5 1 1 A 103 103 LYS C C 103 179.400 179.538 -0.138 1
1 1316 . 5 1 1 A 103 103 LYS CA C 103 60.000 59.480 0.520 1
1 1317 . 5 1 1 A 103 103 LYS CB C 103 31.900 32.163 -0.263 1
1 1321 . 5 1 1 A 103 103 LYS N N 103 116.500 117.454 -0.954 1
1 1322 . 5 1 1 A 104 104 GLU H H 104 7.890 7.902 -0.012 1
1 1323 . 5 1 1 A 104 104 GLU HA H 104 4.080 4.044 0.036 1
1 1328 . 5 1 1 A 104 104 GLU C C 104 179.300 179.588 -0.288 1
1 1329 . 5 1 1 A 104 104 GLU CA C 104 59.500 59.003 0.497 1
1 1330 . 5 1 1 A 104 104 GLU CB C 104 29.100 29.632 -0.532 1
1 1332 . 5 1 1 A 104 104 GLU N N 104 120.000 120.103 -0.103 1
1 1333 . 5 1 1 A 105 105 ILE H H 105 8.170 7.497 0.673 1
1 1334 . 5 1 1 A 105 105 ILE HA H 105 3.520 3.704 -0.184 1
1 1344 . 5 1 1 A 105 105 ILE C C 105 178.100 178.203 -0.103 1
1 1345 . 5 1 1 A 105 105 ILE CA C 105 66.700 65.361 1.339 1
1 1346 . 5 1 1 A 105 105 ILE CB C 105 37.700 37.716 -0.016 1
1 1350 . 5 1 1 A 105 105 ILE N N 105 119.500 120.814 -1.314 1
1 1351 . 5 1 1 A 106 106 HIS H H 106 8.930 8.416 0.514 1
1 1352 . 5 1 1 A 106 106 HIS HA H 106 4.230 4.186 0.044 1
1 1356 . 5 1 1 A 106 106 HIS C C 106 178.000 177.826 0.174 1
1 1357 . 5 1 1 A 106 106 HIS CA C 106 57.600 59.690 -2.090 1
1 1358 . 5 1 1 A 106 106 HIS CB C 106 28.400 29.835 -1.435 1
1 1360 . 5 1 1 A 106 106 HIS N N 106 116.700 120.149 -3.449 1
1 1361 . 5 1 1 A 107 107 SER H H 107 8.060 7.909 0.151 1
1 1362 . 5 1 1 A 107 107 SER HA H 107 4.310 4.112 0.198 1
1 1365 . 5 1 1 A 107 107 SER C C 107 175.900 177.559 -1.659 1
1 1366 . 5 1 1 A 107 107 SER CA C 107 62.200 61.358 0.842 1
1 1367 . 5 1 1 A 107 107 SER CB C 107 62.500 62.843 -0.343 1
1 1368 . 5 1 1 A 107 107 SER N N 107 117.000 115.036 1.964 1
1 1369 . 5 1 1 A 108 108 LEU H H 108 7.950 8.212 -0.262 1
1 1370 . 5 1 1 A 108 108 LEU HA H 108 4.180 4.009 0.171 1
1 1380 . 5 1 1 A 108 108 LEU C C 108 180.600 179.015 1.585 1
1 1381 . 5 1 1 A 108 108 LEU CA C 108 57.900 58.048 -0.148 1
1 1382 . 5 1 1 A 108 108 LEU CB C 108 42.500 41.872 0.628 1
1 1386 . 5 1 1 A 108 108 LEU N N 108 121.800 121.639 0.161 1
1 1387 . 5 1 1 A 109 109 ILE H H 109 8.730 8.463 0.267 1
1 1388 . 5 1 1 A 109 109 ILE HA H 109 3.830 3.731 0.099 1
1 1398 . 5 1 1 A 109 109 ILE C C 109 176.800 178.211 -1.411 1
1 1399 . 5 1 1 A 109 109 ILE CA C 109 65.800 66.042 -0.242 1
1 1400 . 5 1 1 A 109 109 ILE CB C 109 38.600 38.010 0.590 1
1 1404 . 5 1 1 A 109 109 ILE N N 109 120.200 119.800 0.400 1
1 1405 . 5 1 1 A 110 110 GLU H H 110 7.960 8.437 -0.477 1
1 1406 . 5 1 1 A 110 110 GLU HA H 110 4.280 3.874 0.406 1
1 1411 . 5 1 1 A 110 110 GLU C C 110 178.500 178.176 0.324 1
1 1412 . 5 1 1 A 110 110 GLU CA C 110 58.800 59.972 -1.172 1
1 1413 . 5 1 1 A 110 110 GLU CB C 110 28.200 29.381 -1.181 1
1 1415 . 5 1 1 A 110 110 GLU N N 110 120.800 121.373 -0.573 1
1 1416 . 5 1 1 A 111 111 ASP H H 111 8.290 8.303 -0.013 1
1 1417 . 5 1 1 A 111 111 ASP HA H 111 4.470 4.419 0.051 1
1 1420 . 5 1 1 A 111 111 ASP C C 111 178.200 178.386 -0.186 1
1 1421 . 5 1 1 A 111 111 ASP CA C 111 57.100 57.810 -0.710 1
1 1422 . 5 1 1 A 111 111 ASP CB C 111 39.300 41.712 -2.412 1
1 1423 . 5 1 1 A 111 111 ASP N N 111 119.200 120.268 -1.068 1
1 1424 . 5 1 1 A 112 112 SER H H 112 7.800 8.104 -0.304 1
1 1425 . 5 1 1 A 112 112 SER HA H 112 4.200 4.295 -0.095 1
1 1428 . 5 1 1 A 112 112 SER C C 112 178.600 176.671 1.929 1
1 1429 . 5 1 1 A 112 112 SER CA C 112 61.200 61.062 0.138 1
1 1430 . 5 1 1 A 112 112 SER CB C 112 64.200 62.677 1.523 1
1 1431 . 5 1 1 A 112 112 SER N N 112 114.700 115.662 -0.962 1
1 1432 . 5 1 1 A 113 113 PHE H H 113 9.160 8.558 0.602 1
1 1433 . 5 1 1 A 113 113 PHE HA H 113 3.210 4.167 -0.957 1
1 1436 . 5 1 1 A 113 113 PHE C C 113 178.100 177.717 0.383 1
1 1437 . 5 1 1 A 113 113 PHE CA C 113 62.900 61.538 1.362 1
1 1438 . 5 1 1 A 113 113 PHE CB C 113 39.100 39.203 -0.103 1
1 1439 . 5 1 1 A 113 113 PHE N N 113 121.400 124.360 -2.960 1
1 1440 . 5 1 1 A 114 114 GLN H H 114 8.870 7.860 1.010 1
1 1441 . 5 1 1 A 114 114 GLN HA H 114 4.000 3.777 0.223 1
1 1448 . 5 1 1 A 114 114 GLN C C 114 179.700 179.108 0.592 1
1 1449 . 5 1 1 A 114 114 GLN CA C 114 58.300 58.750 -0.450 1
1 1450 . 5 1 1 A 114 114 GLN CB C 114 27.600 27.874 -0.274 1
1 1453 . 5 1 1 A 114 114 GLN N N 114 116.800 118.116 -1.316 1
1 1455 . 5 1 1 A 115 115 LEU H H 115 8.570 8.041 0.529 1
1 1456 . 5 1 1 A 115 115 LEU HA H 115 4.090 3.994 0.096 1
1 1466 . 5 1 1 A 115 115 LEU C C 115 178.600 177.803 0.797 1
1 1467 . 5 1 1 A 115 115 LEU CA C 115 57.300 57.749 -0.449 1
1 1468 . 5 1 1 A 115 115 LEU CB C 115 43.200 42.009 1.191 1
1 1472 . 5 1 1 A 115 115 LEU N N 115 119.800 120.083 -0.283 1
1 1473 . 5 1 1 A 116 116 THR H H 116 7.240 7.206 0.034 1
1 1474 . 5 1 1 A 116 116 THR HA H 116 4.270 2.278 1.992 1
1 1480 . 5 1 1 A 116 116 THR C C 116 173.200 173.794 -0.594 1
1 1481 . 5 1 1 A 116 116 THR CA C 116 60.700 60.960 -0.260 1
1 1482 . 5 1 1 A 116 116 THR CB C 116 70.800 68.442 2.358 1
1 1484 . 5 1 1 A 116 116 THR N N 116 104.900 106.595 -1.695 1
1 1485 . 5 1 1 A 117 117 ARG H H 117 6.840 7.140 -0.300 1
1 1486 . 5 1 1 A 117 117 ARG HA H 117 3.060 3.760 -0.700 1
1 1494 . 5 1 1 A 117 117 ARG C C 117 175.200 176.034 -0.834 1
1 1495 . 5 1 1 A 117 117 ARG CA C 117 55.900 55.622 0.278 1
1 1496 . 5 1 1 A 117 117 ARG CB C 117 31.100 30.540 0.560 1
1 1500 . 5 1 1 A 117 117 ARG N N 117 120.900 123.187 -2.287 1
1 1502 . 5 1 1 A 118 118 LEU H H 118 8.380 8.110 0.270 1
1 1503 . 5 1 1 A 118 118 LEU HA H 118 4.100 4.493 -0.393 1
1 1513 . 5 1 1 A 118 118 LEU C C 118 176.500 176.058 0.442 1
1 1514 . 5 1 1 A 118 118 LEU CA C 118 55.300 55.844 -0.544 1
1 1515 . 5 1 1 A 118 118 LEU CB C 118 42.400 43.090 -0.690 1
1 1519 . 5 1 1 A 118 118 LEU N N 118 122.600 126.628 -4.028 1
1 1520 . 5 1 1 A 119 119 GLU H H 119 8.330 8.550 -0.220 1
1 1521 . 5 1 1 A 119 119 GLU HA H 119 4.160 4.375 -0.215 1
1 1526 . 5 1 1 A 119 119 GLU C C 119 175.800 176.025 -0.225 1
1 1527 . 5 1 1 A 119 119 GLU CA C 119 56.000 56.095 -0.095 1
1 1528 . 5 1 1 A 119 119 GLU CB C 119 30.300 29.465 0.835 1
1 1530 . 5 1 1 A 119 119 GLU N N 119 124.000 124.304 -0.304 1
1 1531 . 5 1 1 A 120 120 HIS H H 120 8.520 8.921 -0.401 1
1 1532 . 5 1 1 A 120 120 HIS HA H 120 4.620 4.605 0.015 1
1 1535 . 5 1 1 A 120 120 HIS C C 120 174.000 174.847 -0.847 1
1 1536 . 5 1 1 A 120 120 HIS CA C 120 55.300 56.432 -1.132 1
1 1537 . 5 1 1 A 120 120 HIS CB C 120 29.300 29.576 -0.276 1
1 1538 . 5 1 1 A 120 120 HIS N N 120 120.100 124.324 -4.224 1
1 1539 . 5 1 1 A 121 121 HIS H H 121 8.580 7.811 0.769 1
1 1540 . 5 1 1 A 121 121 HIS HA H 121 4.620 4.442 0.178 1
1 1543 . 5 1 1 A 121 121 HIS C C 121 173.500 173.542 -0.042 1
1 1544 . 5 1 1 A 121 121 HIS CA C 121 55.300 58.045 -2.745 1
1 1545 . 5 1 1 A 121 121 HIS CB C 121 29.200 28.400 0.800 1
1 1546 . 5 1 1 A 121 121 HIS N N 121 120.800 116.396 4.404 1
1 1547 . 5 1 1 A 122 122 HIS H H 122 8.400 8.587 -0.187 1
1 1548 . 5 1 1 A 122 122 HIS HA H 122 4.620 5.074 -0.454 1
1 1551 . 5 1 1 A 122 122 HIS CA C 122 55.300 55.370 -0.070 1
1 1552 . 5 1 1 A 122 122 HIS CB C 122 29.200 33.772 -4.572 1
1 1553 . 5 1 1 A 122 122 HIS N N 122 125.700 120.909 4.791 1
1 1554 . 5 1 1 A 123 123 HIS H H 123 8.690 8.212 0.478 1
1 1555 . 5 1 1 A 123 123 HIS HA H 123 4.640 4.636 0.004 1
1 1558 . 5 1 1 A 123 123 HIS C C 123 174.100 174.854 -0.754 1
1 1559 . 5 1 1 A 123 123 HIS CA C 123 55.300 56.271 -0.971 1
1 1560 . 5 1 1 A 123 123 HIS CB C 123 29.300 30.809 -1.509 1
1 1561 . 5 1 1 A 123 123 HIS N N 123 120.200 126.775 -6.575 1
1 1562 . 5 1 1 A 124 124 HIS H H 124 8.710 8.140 0.570 1
1 1563 . 5 1 1 A 124 124 HIS HA H 124 4.640 4.378 0.262 1
1 1566 . 5 1 1 A 124 124 HIS C C 124 174.200 174.167 0.033 1
1 1567 . 5 1 1 A 124 124 HIS CA C 124 55.300 57.520 -2.220 1
1 1568 . 5 1 1 A 124 124 HIS CB C 124 29.300 30.433 -1.133 1
1 14 . 6 1 1 A 2 2 ASN H H 2 8.500 8.853 -0.353 1
1 15 . 6 1 1 A 2 2 ASN HA H 2 4.990 5.053 -0.063 1
1 20 . 6 1 1 A 2 2 ASN C C 2 175.600 175.556 0.044 1
1 21 . 6 1 1 A 2 2 ASN CA C 2 51.000 52.145 -1.145 1
1 22 . 6 1 1 A 2 2 ASN CB C 2 40.000 40.259 -0.259 1
1 24 . 6 1 1 A 2 2 ASN N N 2 122.000 120.818 1.182 1
1 26 . 6 1 1 A 3 3 ARG H H 3 8.950 8.947 0.003 1
1 27 . 6 1 1 A 3 3 ARG HA H 3 3.850 4.166 -0.316 1
1 35 . 6 1 1 A 3 3 ARG C C 3 175.600 178.833 -3.233 1
1 36 . 6 1 1 A 3 3 ARG CA C 3 60.400 59.011 1.389 1
1 37 . 6 1 1 A 3 3 ARG CB C 3 30.900 29.970 0.930 1
1 41 . 6 1 1 A 3 3 ARG N N 3 117.600 118.017 -0.417 1
1 43 . 6 1 1 A 4 4 GLN H H 4 8.370 8.123 0.247 1
1 44 . 6 1 1 A 4 4 GLN HA H 4 3.900 4.112 -0.212 1
1 51 . 6 1 1 A 4 4 GLN C C 4 178.300 178.426 -0.126 1
1 52 . 6 1 1 A 4 4 GLN CA C 4 58.900 59.562 -0.662 1
1 53 . 6 1 1 A 4 4 GLN CB C 4 28.200 28.435 -0.235 1
1 56 . 6 1 1 A 4 4 GLN N N 4 120.700 119.280 1.420 1
1 58 . 6 1 1 A 5 5 GLN H H 5 8.670 8.830 -0.160 1
1 59 . 6 1 1 A 5 5 GLN HA H 5 4.190 4.152 0.038 1
1 66 . 6 1 1 A 5 5 GLN C C 5 180.000 178.610 1.390 1
1 67 . 6 1 1 A 5 5 GLN CA C 5 58.500 59.041 -0.541 1
1 68 . 6 1 1 A 5 5 GLN CB C 5 28.900 28.346 0.554 1
1 71 . 6 1 1 A 5 5 GLN N N 5 117.700 118.700 -1.000 1
1 73 . 6 1 1 A 6 6 PHE H H 6 8.270 7.928 0.342 1
1 74 . 6 1 1 A 6 6 PHE HA H 6 4.130 4.230 -0.100 1
1 82 . 6 1 1 A 6 6 PHE C C 6 175.500 177.341 -1.841 1
1 83 . 6 1 1 A 6 6 PHE CA C 6 62.700 61.291 1.409 1
1 84 . 6 1 1 A 6 6 PHE CB C 6 39.000 39.388 -0.388 1
1 90 . 6 1 1 A 6 6 PHE N N 6 121.200 120.892 0.308 1
1 91 . 6 1 1 A 7 7 ILE H H 7 8.390 8.457 -0.067 1
1 92 . 6 1 1 A 7 7 ILE HA H 7 3.280 3.766 -0.486 1
1 102 . 6 1 1 A 7 7 ILE C C 7 178.900 177.663 1.237 1
1 103 . 6 1 1 A 7 7 ILE CA C 7 66.400 65.563 0.837 1
1 104 . 6 1 1 A 7 7 ILE CB C 7 38.500 38.121 0.379 1
1 108 . 6 1 1 A 7 7 ILE N N 7 121.000 121.010 -0.010 1
1 109 . 6 1 1 A 8 8 ASP H H 8 8.710 8.295 0.415 1
1 110 . 6 1 1 A 8 8 ASP HA H 8 4.370 4.312 0.058 1
1 113 . 6 1 1 A 8 8 ASP C C 8 178.000 178.279 -0.279 1
1 114 . 6 1 1 A 8 8 ASP CA C 8 57.300 57.450 -0.150 1
1 115 . 6 1 1 A 8 8 ASP CB C 8 40.600 40.598 0.002 1
1 116 . 6 1 1 A 8 8 ASP N N 8 119.800 119.798 0.002 1
1 117 . 6 1 1 A 9 9 TYR H H 9 8.060 8.815 -0.755 1
1 118 . 6 1 1 A 9 9 TYR HA H 9 4.000 4.091 -0.091 1
1 125 . 6 1 1 A 9 9 TYR C C 9 176.500 177.595 -1.095 1
1 126 . 6 1 1 A 9 9 TYR CA C 9 61.700 62.149 -0.449 1
1 127 . 6 1 1 A 9 9 TYR CB C 9 38.600 38.419 0.181 1
1 132 . 6 1 1 A 9 9 TYR N N 9 121.600 122.798 -1.198 1
1 133 . 6 1 1 A 10 10 ALA H H 10 8.340 8.462 -0.122 1
1 134 . 6 1 1 A 10 10 ALA HA H 10 3.730 3.913 -0.183 1
1 138 . 6 1 1 A 10 10 ALA C C 10 180.200 179.801 0.399 1
1 139 . 6 1 1 A 10 10 ALA CA C 10 55.200 55.143 0.057 1
1 140 . 6 1 1 A 10 10 ALA CB C 10 17.300 17.837 -0.537 1
1 141 . 6 1 1 A 10 10 ALA N N 10 120.700 121.370 -0.670 1
1 142 . 6 1 1 A 11 11 GLN H H 11 7.830 7.683 0.147 1
1 143 . 6 1 1 A 11 11 GLN HA H 11 4.130 4.004 0.126 1
1 150 . 6 1 1 A 11 11 GLN C C 11 178.300 178.323 -0.023 1
1 151 . 6 1 1 A 11 11 GLN CA C 11 59.200 58.694 0.506 1
1 152 . 6 1 1 A 11 11 GLN CB C 11 28.600 28.384 0.216 1
1 155 . 6 1 1 A 11 11 GLN N N 11 116.600 117.553 -0.953 1
1 157 . 6 1 1 A 12 12 LYS H H 12 8.040 7.637 0.403 1
1 158 . 6 1 1 A 12 12 LYS HA H 12 3.890 3.863 0.027 1
1 167 . 6 1 1 A 12 12 LYS C C 12 178.200 178.020 0.180 1
1 168 . 6 1 1 A 12 12 LYS CA C 12 58.800 59.003 -0.203 1
1 169 . 6 1 1 A 12 12 LYS CB C 12 32.700 31.905 0.795 1
1 173 . 6 1 1 A 12 12 LYS N N 12 119.300 121.090 -1.790 1
1 174 . 6 1 1 A 13 13 LYS H H 13 8.440 7.645 0.795 1
1 175 . 6 1 1 A 13 13 LYS HA H 13 3.610 3.626 -0.016 1
1 184 . 6 1 1 A 13 13 LYS C C 13 177.600 177.082 0.518 1
1 185 . 6 1 1 A 13 13 LYS CA C 13 56.900 58.012 -1.112 1
1 186 . 6 1 1 A 13 13 LYS CB C 13 32.000 32.340 -0.340 1
1 190 . 6 1 1 A 13 13 LYS N N 13 117.700 118.317 -0.617 1
1 191 . 6 1 1 A 14 14 TYR H H 14 6.780 8.281 -1.501 1
1 192 . 6 1 1 A 14 14 TYR HA H 14 4.530 4.686 -0.156 1
1 199 . 6 1 1 A 14 14 TYR C C 14 175.800 174.757 1.043 1
1 200 . 6 1 1 A 14 14 TYR CA C 14 56.600 57.926 -1.326 1
1 201 . 6 1 1 A 14 14 TYR CB C 14 39.500 39.872 -0.372 1
1 206 . 6 1 1 A 14 14 TYR N N 14 113.100 113.930 -0.830 1
1 207 . 6 1 1 A 15 15 ASP H H 15 7.620 8.578 -0.958 1
1 208 . 6 1 1 A 15 15 ASP HA H 15 4.810 4.207 0.603 1
1 211 . 6 1 1 A 15 15 ASP C C 15 175.200 174.674 0.526 1
1 212 . 6 1 1 A 15 15 ASP CA C 15 55.100 55.093 0.007 1
1 213 . 6 1 1 A 15 15 ASP CB C 15 39.300 39.701 -0.401 1
1 214 . 6 1 1 A 15 15 ASP N N 15 119.600 120.039 -0.439 1
1 215 . 6 1 1 A 16 16 THR H H 16 7.560 7.839 -0.279 1
1 216 . 6 1 1 A 16 16 THR HA H 16 4.650 4.617 0.033 1
1 222 . 6 1 1 A 16 16 THR C C 16 173.200 173.907 -0.707 1
1 223 . 6 1 1 A 16 16 THR CA C 16 61.500 61.408 0.092 1
1 224 . 6 1 1 A 16 16 THR CB C 16 71.000 70.699 0.301 1
1 226 . 6 1 1 A 16 16 THR N N 16 113.100 114.026 -0.926 1
1 227 . 6 1 1 A 17 17 LYS H H 17 8.830 8.509 0.321 1
1 228 . 6 1 1 A 17 17 LYS HA H 17 4.690 4.860 -0.170 1
1 235 . 6 1 1 A 17 17 LYS C C 17 173.200 174.645 -1.445 1
1 236 . 6 1 1 A 17 17 LYS CA C 17 53.600 53.606 -0.006 1
1 237 . 6 1 1 A 17 17 LYS CB C 17 32.800 32.296 0.504 1
1 241 . 6 1 1 A 17 17 LYS N N 17 127.200 126.677 0.523 1
1 242 . 6 1 1 A 18 18 PRO HA H 18 3.540 3.692 -0.152 1
1 249 . 6 1 1 A 18 18 PRO C C 18 175.800 174.845 0.955 1
1 250 . 6 1 1 A 18 18 PRO CA C 18 62.000 63.042 -1.042 1
1 251 . 6 1 1 A 18 18 PRO CB C 18 32.200 32.050 0.150 1
1 254 . 6 1 1 A 19 19 ASP H H 19 8.310 8.131 0.179 1
1 255 . 6 1 1 A 19 19 ASP HA H 19 4.740 4.904 -0.164 1
1 258 . 6 1 1 A 19 19 ASP C C 19 175.100 174.250 0.850 1
1 259 . 6 1 1 A 19 19 ASP CA C 19 52.300 52.891 -0.591 1
1 260 . 6 1 1 A 19 19 ASP CB C 19 43.700 44.106 -0.406 1
1 261 . 6 1 1 A 19 19 ASP N N 19 120.300 121.429 -1.129 1
1 262 . 6 1 1 A 20 20 HIS H H 20 8.620 9.101 -0.481 1
1 263 . 6 1 1 A 20 20 HIS HA H 20 5.170 5.245 -0.075 1
1 266 . 6 1 1 A 20 20 HIS CA C 20 53.200 52.605 0.595 1
1 267 . 6 1 1 A 20 20 HIS CB C 20 28.800 30.064 -1.264 1
1 268 . 6 1 1 A 20 20 HIS N N 20 118.800 121.713 -2.913 1
1 269 . 6 1 1 A 21 21 PRO HA H 21 4.190 4.220 -0.030 1
1 276 . 6 1 1 A 21 21 PRO C C 21 176.600 177.430 -0.830 1
1 277 . 6 1 1 A 21 21 PRO CA C 21 63.900 64.913 -1.013 1
1 278 . 6 1 1 A 21 21 PRO CB C 21 32.100 31.276 0.824 1
1 281 . 6 1 1 A 22 22 TRP H H 22 8.340 7.596 0.744 1
1 282 . 6 1 1 A 22 22 TRP HA H 22 5.000 4.730 0.270 1
1 291 . 6 1 1 A 22 22 TRP C C 22 174.200 176.700 -2.500 1
1 292 . 6 1 1 A 22 22 TRP CA C 22 57.100 56.046 1.054 1
1 293 . 6 1 1 A 22 22 TRP CB C 22 29.400 28.955 0.445 1
1 299 . 6 1 1 A 22 22 TRP N N 22 118.700 116.811 1.889 1
1 301 . 6 1 1 A 23 23 GLU H H 23 9.030 8.165 0.865 1
1 302 . 6 1 1 A 23 23 GLU HA H 23 4.000 3.838 0.162 1
1 307 . 6 1 1 A 23 23 GLU C C 23 177.900 177.372 0.528 1
1 308 . 6 1 1 A 23 23 GLU CA C 23 59.100 58.594 0.506 1
1 309 . 6 1 1 A 23 23 GLU CB C 23 29.200 28.861 0.339 1
1 311 . 6 1 1 A 23 23 GLU N N 23 128.400 121.638 6.762 1
1 312 . 6 1 1 A 24 24 LYS H H 24 8.500 7.883 0.617 1
1 313 . 6 1 1 A 24 24 LYS HA H 24 3.890 4.036 -0.146 1
1 322 . 6 1 1 A 24 24 LYS C C 24 175.300 176.282 -0.982 1
1 323 . 6 1 1 A 24 24 LYS CA C 24 57.100 57.820 -0.720 1
1 324 . 6 1 1 A 24 24 LYS CB C 24 32.300 31.995 0.305 1
1 328 . 6 1 1 A 24 24 LYS N N 24 115.100 118.084 -2.984 1
1 329 . 6 1 1 A 25 25 PHE H H 25 7.010 8.301 -1.291 1
1 330 . 6 1 1 A 25 25 PHE HA H 25 4.740 5.037 -0.297 1
1 338 . 6 1 1 A 25 25 PHE C C 25 175.300 174.834 0.466 1
1 339 . 6 1 1 A 25 25 PHE CA C 25 54.300 54.936 -0.636 1
1 340 . 6 1 1 A 25 25 PHE CB C 25 39.200 38.631 0.569 1
1 346 . 6 1 1 A 25 25 PHE N N 25 115.100 117.323 -2.223 1
1 347 . 6 1 1 A 26 26 PRO HA H 26 4.380 4.749 -0.369 1
1 354 . 6 1 1 A 26 26 PRO C C 26 176.900 177.936 -1.036 1
1 355 . 6 1 1 A 26 26 PRO CA C 26 64.900 65.276 -0.376 1
1 356 . 6 1 1 A 26 26 PRO CB C 26 32.200 31.873 0.327 1
1 359 . 6 1 1 A 27 27 ASP H H 27 8.860 9.448 -0.588 1
1 360 . 6 1 1 A 27 27 ASP HA H 27 4.810 4.548 0.262 1
1 363 . 6 1 1 A 27 27 ASP C C 27 177.200 176.202 0.998 1
1 364 . 6 1 1 A 27 27 ASP CA C 27 53.900 55.706 -1.806 1
1 365 . 6 1 1 A 27 27 ASP CB C 27 39.900 40.703 -0.803 1
1 366 . 6 1 1 A 27 27 ASP N N 27 114.400 118.573 -4.173 1
1 367 . 6 1 1 A 28 28 TYR H H 28 8.300 8.280 0.020 1
1 368 . 6 1 1 A 28 28 TYR HA H 28 5.500 5.126 0.374 1
1 375 . 6 1 1 A 28 28 TYR C C 28 175.900 176.068 -0.168 1
1 376 . 6 1 1 A 28 28 TYR CA C 28 55.600 57.875 -2.275 1
1 377 . 6 1 1 A 28 28 TYR CB C 28 36.400 39.975 -3.575 1
1 382 . 6 1 1 A 28 28 TYR N N 28 123.700 119.033 4.667 1
1 383 . 6 1 1 A 29 29 ALA H H 29 9.240 8.765 0.475 1
1 384 . 6 1 1 A 29 29 ALA HA H 29 5.030 5.341 -0.311 1
1 388 . 6 1 1 A 29 29 ALA C C 29 174.600 175.799 -1.199 1
1 389 . 6 1 1 A 29 29 ALA CA C 29 49.700 50.658 -0.958 1
1 390 . 6 1 1 A 29 29 ALA CB C 29 22.800 22.788 0.012 1
1 391 . 6 1 1 A 29 29 ALA N N 29 126.000 125.166 0.834 1
1 392 . 6 1 1 A 30 30 VAL H H 30 8.530 8.831 -0.301 1
1 393 . 6 1 1 A 30 30 VAL HA H 30 4.250 4.916 -0.666 1
1 401 . 6 1 1 A 30 30 VAL C C 30 173.400 174.680 -1.280 1
1 402 . 6 1 1 A 30 30 VAL CA C 30 60.300 61.042 -0.742 1
1 403 . 6 1 1 A 30 30 VAL CB C 30 34.100 35.253 -1.153 1
1 406 . 6 1 1 A 30 30 VAL N N 30 119.700 120.438 -0.738 1
1 407 . 6 1 1 A 31 31 PHE H H 31 8.040 8.732 -0.692 1
1 408 . 6 1 1 A 31 31 PHE HA H 31 4.250 5.194 -0.944 1
1 416 . 6 1 1 A 31 31 PHE C C 31 173.200 174.725 -1.525 1
1 417 . 6 1 1 A 31 31 PHE CA C 31 56.700 56.590 0.110 1
1 418 . 6 1 1 A 31 31 PHE CB C 31 38.500 42.135 -3.635 1
1 424 . 6 1 1 A 31 31 PHE N N 31 124.100 126.177 -2.077 1
1 425 . 6 1 1 A 32 32 ARG H H 32 8.720 8.762 -0.042 1
1 426 . 6 1 1 A 32 32 ARG HA H 32 5.320 4.872 0.448 1
1 434 . 6 1 1 A 32 32 ARG C C 32 176.400 173.986 2.414 1
1 435 . 6 1 1 A 32 32 ARG CA C 32 53.400 54.349 -0.949 1
1 436 . 6 1 1 A 32 32 ARG CB C 32 34.200 33.525 0.675 1
1 440 . 6 1 1 A 32 32 ARG N N 32 122.300 121.770 0.530 1
1 442 . 6 1 1 A 33 33 HIS H H 33 8.560 9.025 -0.465 1
1 443 . 6 1 1 A 33 33 HIS HA H 33 4.710 5.041 -0.331 1
1 446 . 6 1 1 A 33 33 HIS C C 33 176.400 175.488 0.912 1
1 447 . 6 1 1 A 33 33 HIS CA C 33 56.500 54.499 2.001 1
1 448 . 6 1 1 A 33 33 HIS CB C 33 28.900 31.209 -2.309 1
1 449 . 6 1 1 A 33 33 HIS N N 33 119.800 125.536 -5.736 1
1 450 . 6 1 1 A 34 34 SER H H 34 9.160 8.754 0.406 1
1 451 . 6 1 1 A 34 34 SER HA H 34 4.390 4.299 0.091 1
1 454 . 6 1 1 A 34 34 SER C C 34 174.900 174.502 0.398 1
1 455 . 6 1 1 A 34 34 SER CA C 34 60.400 59.937 0.463 1
1 456 . 6 1 1 A 34 34 SER CB C 34 63.200 63.488 -0.288 1
1 457 . 6 1 1 A 34 34 SER N N 34 118.700 118.382 0.318 1
1 458 . 6 1 1 A 35 35 ASP H H 35 8.660 7.982 0.678 1
1 459 . 6 1 1 A 35 35 ASP HA H 35 4.570 4.662 -0.092 1
1 462 . 6 1 1 A 35 35 ASP C C 35 177.000 176.467 0.533 1
1 463 . 6 1 1 A 35 35 ASP CA C 35 54.300 54.666 -0.366 1
1 464 . 6 1 1 A 35 35 ASP CB C 35 39.700 41.321 -1.621 1
1 465 . 6 1 1 A 35 35 ASP N N 35 118.200 120.361 -2.161 1
1 466 . 6 1 1 A 36 36 ASN H H 36 7.900 7.896 0.004 1
1 467 . 6 1 1 A 36 36 ASN HA H 36 4.660 5.037 -0.377 1
1 472 . 6 1 1 A 36 36 ASN C C 36 175.100 175.002 0.098 1
1 473 . 6 1 1 A 36 36 ASN CA C 36 52.000 51.946 0.054 1
1 474 . 6 1 1 A 36 36 ASN CB C 36 38.900 38.837 0.063 1
1 476 . 6 1 1 A 36 36 ASN N N 36 116.200 118.185 -1.985 1
1 478 . 6 1 1 A 37 37 ASP H H 37 7.890 8.382 -0.492 1
1 479 . 6 1 1 A 37 37 ASP HA H 37 4.670 4.571 0.099 1
1 482 . 6 1 1 A 37 37 ASP C C 37 175.800 175.594 0.206 1
1 483 . 6 1 1 A 37 37 ASP CA C 37 55.800 57.236 -1.436 1
1 484 . 6 1 1 A 37 37 ASP CB C 37 40.500 40.368 0.132 1
1 485 . 6 1 1 A 37 37 ASP N N 37 115.300 119.872 -4.572 1
1 486 . 6 1 1 A 38 38 LYS H H 38 8.310 8.086 0.224 1
1 487 . 6 1 1 A 38 38 LYS HA H 38 4.390 4.355 0.035 1
1 496 . 6 1 1 A 38 38 LYS C C 38 175.300 176.013 -0.713 1
1 497 . 6 1 1 A 38 38 LYS CA C 38 56.700 56.242 0.458 1
1 498 . 6 1 1 A 38 38 LYS CB C 38 32.500 33.604 -1.104 1
1 502 . 6 1 1 A 38 38 LYS N N 38 119.300 120.201 -0.901 1
1 503 . 6 1 1 A 39 39 TRP HA H 39 5.000 5.794 -0.794 1
1 512 . 6 1 1 A 39 39 TRP C C 39 176.100 174.270 1.830 1
1 513 . 6 1 1 A 39 39 TRP CA C 39 55.700 55.228 0.472 1
1 514 . 6 1 1 A 39 39 TRP CB C 39 30.300 33.386 -3.086 1
1 521 . 6 1 1 A 40 40 TYR H H 40 9.270 9.070 0.200 1
1 522 . 6 1 1 A 40 40 TYR HA H 40 5.280 5.440 -0.160 1
1 525 . 6 1 1 A 40 40 TYR C C 40 175.400 175.671 -0.271 1
1 526 . 6 1 1 A 40 40 TYR CA C 40 55.700 56.553 -0.853 1
1 527 . 6 1 1 A 40 40 TYR CB C 40 40.300 42.726 -2.426 1
1 528 . 6 1 1 A 40 40 TYR N N 40 114.000 119.890 -5.890 1
1 529 . 6 1 1 A 41 41 ALA H H 41 7.760 9.013 -1.253 1
1 530 . 6 1 1 A 41 41 ALA HA H 41 5.580 5.242 0.338 1
1 534 . 6 1 1 A 41 41 ALA C C 41 177.300 176.218 1.082 1
1 535 . 6 1 1 A 41 41 ALA CA C 41 52.900 52.105 0.795 1
1 536 . 6 1 1 A 41 41 ALA CB C 41 21.900 20.613 1.287 1
1 537 . 6 1 1 A 41 41 ALA N N 41 121.500 124.145 -2.645 1
1 538 . 6 1 1 A 42 42 LEU H H 42 8.300 9.328 -1.028 1
1 539 . 6 1 1 A 42 42 LEU HA H 42 5.200 5.435 -0.235 1
1 549 . 6 1 1 A 42 42 LEU C C 42 173.300 174.956 -1.656 1
1 550 . 6 1 1 A 42 42 LEU CA C 42 54.100 53.679 0.421 1
1 551 . 6 1 1 A 42 42 LEU CB C 42 45.900 43.791 2.109 1
1 555 . 6 1 1 A 42 42 LEU N N 42 123.700 124.455 -0.755 1
1 556 . 6 1 1 A 43 43 LEU H H 43 9.700 9.008 0.692 1
1 557 . 6 1 1 A 43 43 LEU HA H 43 5.250 5.202 0.048 1
1 567 . 6 1 1 A 43 43 LEU C C 43 173.300 175.351 -2.051 1
1 568 . 6 1 1 A 43 43 LEU CA C 43 54.000 53.586 0.414 1
1 569 . 6 1 1 A 43 43 LEU CB C 43 46.000 44.846 1.154 1
1 573 . 6 1 1 A 43 43 LEU N N 43 130.400 128.442 1.958 1
1 574 . 6 1 1 A 44 44 MET H H 44 8.800 8.457 0.343 1
1 575 . 6 1 1 A 44 44 MET HA H 44 4.420 4.645 -0.225 1
1 583 . 6 1 1 A 44 44 MET C C 44 172.500 173.525 -1.025 1
1 584 . 6 1 1 A 44 44 MET CA C 44 55.000 53.675 1.325 1
1 585 . 6 1 1 A 44 44 MET CB C 44 39.100 35.080 4.020 1
1 588 . 6 1 1 A 44 44 MET N N 44 122.800 121.877 0.923 1
1 589 . 6 1 1 A 45 45 ASP H H 45 7.960 8.452 -0.492 1
1 590 . 6 1 1 A 45 45 ASP HA H 45 5.490 5.547 -0.057 1
1 593 . 6 1 1 A 45 45 ASP C C 45 175.200 175.178 0.022 1
1 594 . 6 1 1 A 45 45 ASP CA C 45 51.900 52.449 -0.549 1
1 595 . 6 1 1 A 45 45 ASP CB C 45 40.800 42.483 -1.683 1
1 596 . 6 1 1 A 45 45 ASP N N 45 119.400 118.304 1.096 1
1 597 . 6 1 1 A 46 46 ILE H H 46 8.800 8.229 0.571 1
1 598 . 6 1 1 A 46 46 ILE HA H 46 4.870 4.798 0.072 1
1 608 . 6 1 1 A 46 46 ILE CA C 46 57.700 57.046 0.654 1
1 609 . 6 1 1 A 46 46 ILE CB C 46 40.100 39.579 0.521 1
1 613 . 6 1 1 A 46 46 ILE N N 46 117.400 119.949 -2.549 1
1 614 . 6 1 1 A 47 47 PRO HA H 47 4.420 4.446 -0.026 1
1 621 . 6 1 1 A 47 47 PRO C C 47 177.800 177.431 0.369 1
1 622 . 6 1 1 A 47 47 PRO CA C 47 63.000 62.948 0.052 1
1 623 . 6 1 1 A 47 47 PRO CB C 47 31.900 32.614 -0.714 1
1 626 . 6 1 1 A 48 48 ALA H H 48 8.550 8.355 0.195 1
1 627 . 6 1 1 A 48 48 ALA HA H 48 3.550 4.021 -0.471 1
1 631 . 6 1 1 A 48 48 ALA C C 48 179.200 179.328 -0.128 1
1 632 . 6 1 1 A 48 48 ALA CA C 48 55.200 54.779 0.421 1
1 633 . 6 1 1 A 48 48 ALA CB C 48 17.700 18.197 -0.497 1
1 634 . 6 1 1 A 48 48 ALA N N 48 130.100 126.814 3.286 1
1 635 . 6 1 1 A 49 49 GLU H H 49 8.700 8.034 0.666 1
1 636 . 6 1 1 A 49 49 GLU HA H 49 4.180 4.198 -0.018 1
1 641 . 6 1 1 A 49 49 GLU C C 49 179.800 177.799 2.001 1
1 642 . 6 1 1 A 49 49 GLU CA C 49 58.200 58.351 -0.151 1
1 643 . 6 1 1 A 49 49 GLU CB C 49 28.200 29.240 -1.040 1
1 645 . 6 1 1 A 49 49 GLU N N 49 114.900 117.621 -2.721 1
1 646 . 6 1 1 A 50 50 LYS H H 50 7.910 7.833 0.077 1
1 647 . 6 1 1 A 50 50 LYS HA H 50 4.060 4.193 -0.133 1
1 656 . 6 1 1 A 50 50 LYS C C 50 178.100 177.753 0.347 1
1 657 . 6 1 1 A 50 50 LYS CA C 50 56.900 57.388 -0.488 1
1 658 . 6 1 1 A 50 50 LYS CB C 50 31.700 32.100 -0.400 1
1 662 . 6 1 1 A 50 50 LYS N N 50 118.100 118.591 -0.491 1
1 663 . 6 1 1 A 51 51 ILE H H 51 7.190 7.249 -0.059 1
1 664 . 6 1 1 A 51 51 ILE HA H 51 4.490 4.279 0.211 1
1 674 . 6 1 1 A 51 51 ILE C C 51 175.300 176.547 -1.247 1
1 675 . 6 1 1 A 51 51 ILE CA C 51 60.100 60.132 -0.032 1
1 676 . 6 1 1 A 51 51 ILE CB C 51 37.400 37.687 -0.287 1
1 680 . 6 1 1 A 51 51 ILE N N 51 109.000 112.649 -3.649 1
1 681 . 6 1 1 A 52 52 GLY H H 52 7.370 7.905 -0.535 1
1 682 . 6 1 1 A 52 52 GLY HA2 H 52 4.050 3.814 0.236 1
1 683 . 6 1 1 A 52 52 GLY HA3 H 52 3.730 3.880 -0.150 1
1 684 . 6 1 1 A 52 52 GLY C C 52 174.200 173.922 0.278 1
1 685 . 6 1 1 A 52 52 GLY CA C 52 46.100 44.986 1.114 1
1 686 . 6 1 1 A 52 52 GLY N N 52 106.900 110.482 -3.582 1
1 687 . 6 1 1 A 53 53 ILE H H 53 7.260 7.061 0.199 1
1 688 . 6 1 1 A 53 53 ILE HA H 53 4.040 4.017 0.023 1
1 698 . 6 1 1 A 53 53 ILE C C 53 174.700 176.559 -1.859 1
1 699 . 6 1 1 A 53 53 ILE CA C 53 60.500 60.686 -0.186 1
1 700 . 6 1 1 A 53 53 ILE CB C 53 38.700 37.441 1.259 1
1 704 . 6 1 1 A 53 53 ILE N N 53 121.900 122.285 -0.385 1
1 705 . 6 1 1 A 54 54 ASN H H 54 8.280 8.695 -0.415 1
1 706 . 6 1 1 A 54 54 ASN HA H 54 4.540 4.503 0.037 1
1 711 . 6 1 1 A 54 54 ASN C C 54 175.400 176.957 -1.557 1
1 712 . 6 1 1 A 54 54 ASN CA C 54 53.700 55.867 -2.167 1
1 713 . 6 1 1 A 54 54 ASN CB C 54 39.000 38.249 0.751 1
1 715 . 6 1 1 A 54 54 ASN N N 54 123.300 123.050 0.250 1
1 717 . 6 1 1 A 55 55 GLY H H 55 8.240 8.007 0.233 1
1 718 . 6 1 1 A 55 55 GLY HA2 H 55 4.230 3.917 0.313 1
1 719 . 6 1 1 A 55 55 GLY HA3 H 55 3.740 3.920 -0.180 1
1 720 . 6 1 1 A 55 55 GLY C C 55 173.200 174.778 -1.578 1
1 721 . 6 1 1 A 55 55 GLY CA C 55 44.800 45.548 -0.748 1
1 722 . 6 1 1 A 55 55 GLY N N 55 110.200 106.880 3.320 1
1 723 . 6 1 1 A 56 56 ASP H H 56 8.320 8.789 -0.469 1
1 724 . 6 1 1 A 56 56 ASP HA H 56 4.700 4.714 -0.014 1
1 727 . 6 1 1 A 56 56 ASP C C 56 175.800 175.980 -0.180 1
1 728 . 6 1 1 A 56 56 ASP CA C 56 53.400 53.409 -0.009 1
1 729 . 6 1 1 A 56 56 ASP CB C 56 40.500 40.613 -0.113 1
1 730 . 6 1 1 A 56 56 ASP N N 56 119.000 119.864 -0.864 1
1 731 . 6 1 1 A 57 57 LYS H H 57 7.780 7.636 0.144 1
1 732 . 6 1 1 A 57 57 LYS HA H 57 4.400 4.433 -0.033 1
1 741 . 6 1 1 A 57 57 LYS C C 57 175.700 176.654 -0.954 1
1 742 . 6 1 1 A 57 57 LYS CA C 57 55.600 55.770 -0.170 1
1 743 . 6 1 1 A 57 57 LYS CB C 57 33.700 33.433 0.267 1
1 747 . 6 1 1 A 57 57 LYS N N 57 119.500 122.121 -2.621 1
1 748 . 6 1 1 A 58 58 ARG H H 58 8.410 8.602 -0.192 1
1 749 . 6 1 1 A 58 58 ARG HA H 58 4.740 4.452 0.288 1
1 757 . 6 1 1 A 58 58 ARG C C 58 176.200 176.238 -0.038 1
1 758 . 6 1 1 A 58 58 ARG CA C 58 55.300 56.249 -0.949 1
1 759 . 6 1 1 A 58 58 ARG CB C 58 31.700 30.759 0.941 1
1 763 . 6 1 1 A 58 58 ARG N N 58 120.900 125.256 -4.356 1
1 765 . 6 1 1 A 59 59 VAL H H 59 9.030 8.460 0.570 1
1 766 . 6 1 1 A 59 59 VAL HA H 59 4.570 5.133 -0.563 1
1 774 . 6 1 1 A 59 59 VAL C C 59 173.900 174.010 -0.110 1
1 775 . 6 1 1 A 59 59 VAL CA C 59 58.700 58.642 0.058 1
1 776 . 6 1 1 A 59 59 VAL CB C 59 34.700 35.840 -1.140 1
1 779 . 6 1 1 A 59 59 VAL N N 59 115.600 118.578 -2.978 1
1 780 . 6 1 1 A 60 60 ASP H H 60 8.290 8.619 -0.329 1
1 781 . 6 1 1 A 60 60 ASP HA H 60 5.560 5.201 0.359 1
1 784 . 6 1 1 A 60 60 ASP C C 60 175.800 175.752 0.048 1
1 785 . 6 1 1 A 60 60 ASP CA C 60 53.600 53.368 0.232 1
1 786 . 6 1 1 A 60 60 ASP CB C 60 43.100 42.618 0.482 1
1 787 . 6 1 1 A 60 60 ASP N N 60 120.700 120.966 -0.266 1
1 788 . 6 1 1 A 61 61 VAL H H 61 9.080 8.799 0.281 1
1 789 . 6 1 1 A 61 61 VAL HA H 61 5.150 5.295 -0.145 1
1 797 . 6 1 1 A 61 61 VAL C C 61 173.800 174.413 -0.613 1
1 798 . 6 1 1 A 61 61 VAL CA C 61 57.600 59.211 -1.611 1
1 799 . 6 1 1 A 61 61 VAL CB C 61 35.500 35.855 -0.355 1
1 802 . 6 1 1 A 61 61 VAL N N 61 115.200 117.179 -1.979 1
1 803 . 6 1 1 A 62 62 ILE H H 62 8.530 8.457 0.073 1
1 804 . 6 1 1 A 62 62 ILE HA H 62 5.550 5.172 0.378 1
1 814 . 6 1 1 A 62 62 ILE CA C 62 57.800 58.660 -0.860 1
1 815 . 6 1 1 A 62 62 ILE CB C 62 41.700 41.722 -0.022 1
1 819 . 6 1 1 A 62 62 ILE N N 62 112.000 119.330 -7.330 1
1 820 . 6 1 1 A 64 64 LEU HA H 64 4.960 5.005 -0.045 1
1 830 . 6 1 1 A 64 64 LEU C C 64 173.100 175.365 -2.265 1
1 831 . 6 1 1 A 64 64 LEU CA C 64 53.500 54.324 -0.824 1
1 832 . 6 1 1 A 64 64 LEU CB C 64 47.000 45.845 1.155 1
1 836 . 6 1 1 A 65 65 LYS H H 65 8.470 8.691 -0.221 1
1 837 . 6 1 1 A 65 65 LYS HA H 65 3.760 4.587 -0.827 1
1 846 . 6 1 1 A 65 65 LYS C C 65 175.100 176.075 -0.975 1
1 847 . 6 1 1 A 65 65 LYS CA C 65 55.700 55.685 0.015 1
1 848 . 6 1 1 A 65 65 LYS CB C 65 33.600 32.925 0.675 1
1 852 . 6 1 1 A 65 65 LYS N N 65 126.700 123.174 3.526 1
1 853 . 6 1 1 A 66 66 VAL H H 66 7.840 8.593 -0.753 1
1 854 . 6 1 1 A 66 66 VAL HA H 66 4.410 4.815 -0.405 1
1 862 . 6 1 1 A 66 66 VAL C C 66 175.300 174.652 0.648 1
1 863 . 6 1 1 A 66 66 VAL CA C 66 58.300 58.682 -0.382 1
1 864 . 6 1 1 A 66 66 VAL CB C 66 36.400 35.916 0.484 1
1 867 . 6 1 1 A 66 66 VAL N N 66 116.000 118.279 -2.279 1
1 868 . 6 1 1 A 67 67 GLN H H 67 8.620 8.553 0.067 1
1 869 . 6 1 1 A 67 67 GLN HA H 67 4.350 4.502 -0.152 1
1 876 . 6 1 1 A 67 67 GLN CA C 67 54.900 53.991 0.909 1
1 877 . 6 1 1 A 67 67 GLN CB C 67 27.600 28.501 -0.901 1
1 880 . 6 1 1 A 67 67 GLN N N 67 123.000 120.619 2.381 1
1 882 . 6 1 1 A 68 68 PRO HA H 68 4.200 4.097 0.103 1
1 889 . 6 1 1 A 68 68 PRO C C 68 179.400 177.668 1.732 1
1 890 . 6 1 1 A 68 68 PRO CA C 68 65.100 64.377 0.723 1
1 891 . 6 1 1 A 68 68 PRO CB C 68 31.700 31.819 -0.119 1
1 894 . 6 1 1 A 69 69 GLU H H 69 9.620 8.365 1.255 1
1 895 . 6 1 1 A 69 69 GLU HA H 69 4.190 4.166 0.024 1
1 900 . 6 1 1 A 69 69 GLU C C 69 177.100 177.957 -0.857 1
1 901 . 6 1 1 A 69 69 GLU CA C 69 58.600 58.773 -0.173 1
1 902 . 6 1 1 A 69 69 GLU CB C 69 28.100 29.843 -1.743 1
1 904 . 6 1 1 A 69 69 GLU N N 69 116.900 117.609 -0.709 1
1 905 . 6 1 1 A 70 70 LEU H H 70 7.940 7.661 0.279 1
1 906 . 6 1 1 A 70 70 LEU HA H 70 4.460 4.374 0.086 1
1 916 . 6 1 1 A 70 70 LEU C C 70 177.600 177.870 -0.270 1
1 917 . 6 1 1 A 70 70 LEU CA C 70 54.500 54.803 -0.303 1
1 918 . 6 1 1 A 70 70 LEU CB C 70 42.800 42.314 0.486 1
1 922 . 6 1 1 A 70 70 LEU N N 70 118.700 118.884 -0.184 1
1 923 . 6 1 1 A 71 71 VAL H H 71 7.080 7.734 -0.654 1
1 924 . 6 1 1 A 71 71 VAL HA H 71 3.210 3.733 -0.523 1
1 932 . 6 1 1 A 71 71 VAL C C 71 176.800 177.746 -0.946 1
1 933 . 6 1 1 A 71 71 VAL CA C 71 67.700 65.935 1.765 1
1 934 . 6 1 1 A 71 71 VAL CB C 71 32.000 30.975 1.025 1
1 937 . 6 1 1 A 71 71 VAL N N 71 120.300 119.940 0.360 1
1 938 . 6 1 1 A 72 72 GLY H H 72 8.540 8.244 0.296 1
1 939 . 6 1 1 A 72 72 GLY HA2 H 72 3.770 3.769 0.001 1
1 940 . 6 1 1 A 72 72 GLY HA3 H 72 3.630 3.770 -0.140 1
1 941 . 6 1 1 A 72 72 GLY C C 72 176.300 176.752 -0.452 1
1 942 . 6 1 1 A 72 72 GLY CA C 72 47.000 47.494 -0.494 1
1 943 . 6 1 1 A 72 72 GLY N N 72 105.300 109.111 -3.811 1
1 944 . 6 1 1 A 73 73 SER H H 73 7.870 8.034 -0.164 1
1 945 . 6 1 1 A 73 73 SER HA H 73 4.170 4.102 0.068 1
1 948 . 6 1 1 A 73 73 SER C C 73 178.000 176.247 1.753 1
1 949 . 6 1 1 A 73 73 SER CA C 73 60.600 62.623 -2.023 1
1 950 . 6 1 1 A 73 73 SER CB C 73 62.700 62.869 -0.169 1
1 951 . 6 1 1 A 73 73 SER N N 73 115.700 119.569 -3.869 1
1 952 . 6 1 1 A 74 74 LEU H H 74 8.340 7.598 0.742 1
1 953 . 6 1 1 A 74 74 LEU HA H 74 4.000 4.100 -0.100 1
1 963 . 6 1 1 A 74 74 LEU C C 74 178.400 178.339 0.061 1
1 964 . 6 1 1 A 74 74 LEU CA C 74 57.900 56.892 1.008 1
1 965 . 6 1 1 A 74 74 LEU CB C 74 41.700 42.270 -0.570 1
1 969 . 6 1 1 A 74 74 LEU N N 74 124.600 121.778 2.822 1
1 970 . 6 1 1 A 75 75 ARG H H 75 7.850 8.611 -0.761 1
1 971 . 6 1 1 A 75 75 ARG HA H 75 3.750 4.072 -0.322 1
1 979 . 6 1 1 A 75 75 ARG C C 75 176.500 178.157 -1.657 1
1 980 . 6 1 1 A 75 75 ARG CA C 75 57.800 58.851 -1.051 1
1 981 . 6 1 1 A 75 75 ARG CB C 75 29.500 29.615 -0.115 1
1 985 . 6 1 1 A 75 75 ARG N N 75 113.300 119.323 -6.023 1
1 987 . 6 1 1 A 76 76 LYS H H 76 7.100 8.141 -1.041 1
1 988 . 6 1 1 A 76 76 LYS HA H 76 4.210 4.340 -0.130 1
1 997 . 6 1 1 A 76 76 LYS C C 76 177.000 176.805 0.195 1
1 998 . 6 1 1 A 76 76 LYS CA C 76 56.500 57.995 -1.495 1
1 999 . 6 1 1 A 76 76 LYS CB C 76 32.700 32.213 0.487 1
1 1003 . 6 1 1 A 76 76 LYS N N 76 116.600 116.029 0.571 1
1 1004 . 6 1 1 A 77 77 LYS H H 77 7.830 7.414 0.416 1
1 1005 . 6 1 1 A 77 77 LYS HA H 77 4.470 4.464 0.006 1
1 1014 . 6 1 1 A 77 77 LYS CA C 77 54.500 54.170 0.330 1
1 1015 . 6 1 1 A 77 77 LYS CB C 77 31.800 31.687 0.113 1
1 1019 . 6 1 1 A 77 77 LYS N N 77 122.900 121.729 1.171 1
1 1020 . 6 1 1 A 78 78 PRO HA H 78 4.190 4.179 0.011 1
1 1027 . 6 1 1 A 78 78 PRO C C 78 176.600 177.305 -0.705 1
1 1028 . 6 1 1 A 78 78 PRO CA C 78 63.700 63.550 0.150 1
1 1029 . 6 1 1 A 78 78 PRO CB C 78 31.900 32.066 -0.166 1
1 1032 . 6 1 1 A 79 79 GLY H H 79 8.290 8.628 -0.338 1
1 1033 . 6 1 1 A 79 79 GLY HA2 H 79 4.350 3.824 0.526 1
1 1034 . 6 1 1 A 79 79 GLY HA3 H 79 3.590 3.898 -0.308 1
1 1035 . 6 1 1 A 79 79 GLY C C 79 172.000 173.359 -1.359 1
1 1036 . 6 1 1 A 79 79 GLY CA C 79 45.500 45.207 0.293 1
1 1037 . 6 1 1 A 79 79 GLY N N 79 109.300 110.502 -1.202 1
1 1038 . 6 1 1 A 80 80 ILE H H 80 7.300 7.509 -0.209 1
1 1039 . 6 1 1 A 80 80 ILE HA H 80 4.770 3.941 0.829 1
1 1049 . 6 1 1 A 80 80 ILE C C 80 174.200 174.641 -0.441 1
1 1050 . 6 1 1 A 80 80 ILE CA C 80 60.500 60.913 -0.413 1
1 1051 . 6 1 1 A 80 80 ILE CB C 80 37.000 38.388 -1.388 1
1 1055 . 6 1 1 A 80 80 ILE N N 80 119.200 122.028 -2.828 1
1 1056 . 6 1 1 A 81 81 TYR H H 81 9.490 8.194 1.296 1
1 1057 . 6 1 1 A 81 81 TYR HA H 81 4.840 4.903 -0.063 1
1 1064 . 6 1 1 A 81 81 TYR CA C 81 56.800 55.959 0.841 1
1 1065 . 6 1 1 A 81 81 TYR CB C 81 39.800 41.153 -1.353 1
1 1070 . 6 1 1 A 81 81 TYR N N 81 126.100 126.334 -0.234 1
1 1071 . 6 1 1 A 82 82 PRO HA H 82 4.610 4.585 0.025 1
1 1078 . 6 1 1 A 82 82 PRO CA C 82 62.300 63.046 -0.746 1
1 1079 . 6 1 1 A 82 82 PRO CB C 82 32.000 32.064 -0.064 1
1 1082 . 6 1 1 A 83 83 ALA HA H 83 4.140 4.285 -0.145 1
1 1086 . 6 1 1 A 84 84 TYR HA H 84 4.470 4.557 -0.087 1
1 1093 . 6 1 1 A 84 84 TYR CA C 84 57.500 58.218 -0.718 1
1 1094 . 6 1 1 A 84 84 TYR CB C 84 39.500 38.839 0.661 1
1 1099 . 6 1 1 A 87 87 ASN HA H 87 4.410 4.306 0.104 1
1 1104 . 6 1 1 A 87 87 ASN C C 87 176.500 175.069 1.431 1
1 1105 . 6 1 1 A 87 87 ASN CA C 87 55.100 53.855 1.245 1
1 1106 . 6 1 1 A 87 87 ASN CB C 87 40.600 36.358 4.242 1
1 1109 . 6 1 1 A 88 88 LYS H H 88 8.710 8.084 0.626 1
1 1110 . 6 1 1 A 88 88 LYS HA H 88 4.320 4.685 -0.365 1
1 1119 . 6 1 1 A 88 88 LYS C C 88 177.600 178.163 -0.563 1
1 1120 . 6 1 1 A 88 88 LYS CA C 88 58.100 57.465 0.635 1
1 1121 . 6 1 1 A 88 88 LYS CB C 88 33.000 34.332 -1.332 1
1 1125 . 6 1 1 A 88 88 LYS N N 88 123.800 120.558 3.242 1
1 1126 . 6 1 1 A 89 89 GLU H H 89 8.390 8.142 0.248 1
1 1127 . 6 1 1 A 89 89 GLU HA H 89 4.270 4.021 0.249 1
1 1132 . 6 1 1 A 89 89 GLU C C 89 176.500 178.879 -2.379 1
1 1133 . 6 1 1 A 89 89 GLU CA C 89 57.800 59.073 -1.273 1
1 1134 . 6 1 1 A 89 89 GLU CB C 89 30.100 29.715 0.385 1
1 1136 . 6 1 1 A 89 89 GLU N N 89 117.000 120.111 -3.111 1
1 1137 . 6 1 1 A 90 90 HIS H H 90 7.600 8.262 -0.662 1
1 1138 . 6 1 1 A 90 90 HIS HA H 90 4.580 4.274 0.306 1
1 1142 . 6 1 1 A 90 90 HIS C C 90 170.800 175.195 -4.395 1
1 1143 . 6 1 1 A 90 90 HIS CA C 90 55.500 58.568 -3.068 1
1 1144 . 6 1 1 A 90 90 HIS CB C 90 32.200 29.579 2.621 1
1 1145 . 6 1 1 A 90 90 HIS N N 90 111.500 115.483 -3.983 1
1 1146 . 6 1 1 A 91 91 TRP H H 91 7.650 8.058 -0.408 1
1 1147 . 6 1 1 A 91 91 TRP HA H 91 5.610 5.107 0.503 1
1 1156 . 6 1 1 A 91 91 TRP C C 91 174.600 176.161 -1.561 1
1 1157 . 6 1 1 A 91 91 TRP CA C 91 55.500 56.338 -0.838 1
1 1158 . 6 1 1 A 91 91 TRP CB C 91 31.700 30.921 0.779 1
1 1163 . 6 1 1 A 91 91 TRP N N 91 117.400 117.343 0.057 1
1 1165 . 6 1 1 A 92 92 ILE H H 92 9.100 8.600 0.500 1
1 1166 . 6 1 1 A 92 92 ILE HA H 92 4.630 4.792 -0.162 1
1 1176 . 6 1 1 A 92 92 ILE C C 92 174.500 174.977 -0.477 1
1 1177 . 6 1 1 A 92 92 ILE CA C 92 59.800 60.050 -0.250 1
1 1178 . 6 1 1 A 92 92 ILE CB C 92 42.500 42.489 0.011 1
1 1182 . 6 1 1 A 92 92 ILE N N 92 111.700 123.973 -12.273 1
1 1183 . 6 1 1 A 93 93 THR H H 93 8.570 8.421 0.149 1
1 1184 . 6 1 1 A 93 93 THR HA H 93 4.250 4.986 -0.736 1
1 1190 . 6 1 1 A 93 93 THR CA C 93 61.800 60.615 1.185 1
1 1191 . 6 1 1 A 93 93 THR CB C 93 70.200 70.341 -0.141 1
1 1193 . 6 1 1 A 93 93 THR N N 93 117.600 118.733 -1.133 1
1 1194 . 6 1 1 A 94 94 VAL HA H 94 4.680 4.633 0.047 1
1 1202 . 6 1 1 A 94 94 VAL C C 94 175.400 174.242 1.158 1
1 1203 . 6 1 1 A 94 94 VAL CA C 94 60.700 60.805 -0.105 1
1 1204 . 6 1 1 A 94 94 VAL CB C 94 34.100 34.298 -0.198 1
1 1207 . 6 1 1 A 95 95 LEU H H 95 8.080 8.584 -0.504 1
1 1208 . 6 1 1 A 95 95 LEU HA H 95 4.330 4.685 -0.355 1
1 1218 . 6 1 1 A 95 95 LEU C C 95 176.400 175.852 0.548 1
1 1219 . 6 1 1 A 95 95 LEU CA C 95 55.000 54.250 0.750 1
1 1220 . 6 1 1 A 95 95 LEU CB C 95 44.300 42.960 1.340 1
1 1224 . 6 1 1 A 95 95 LEU N N 95 127.500 128.258 -0.758 1
1 1225 . 6 1 1 A 96 96 LEU H H 96 8.050 8.534 -0.484 1
1 1226 . 6 1 1 A 96 96 LEU HA H 96 4.150 4.256 -0.106 1
1 1236 . 6 1 1 A 96 96 LEU C C 96 177.400 177.907 -0.507 1
1 1237 . 6 1 1 A 96 96 LEU CA C 96 56.500 55.482 1.018 1
1 1238 . 6 1 1 A 96 96 LEU CB C 96 40.500 42.235 -1.735 1
1 1242 . 6 1 1 A 96 96 LEU N N 96 128.100 127.523 0.577 1
1 1243 . 6 1 1 A 97 97 ASN H H 97 8.690 8.118 0.572 1
1 1244 . 6 1 1 A 97 97 ASN HA H 97 4.740 4.880 -0.140 1
1 1249 . 6 1 1 A 97 97 ASN C C 97 174.900 175.892 -0.992 1
1 1250 . 6 1 1 A 97 97 ASN CA C 97 53.000 53.646 -0.646 1
1 1251 . 6 1 1 A 97 97 ASN CB C 97 37.700 39.138 -1.438 1
1 1252 . 6 1 1 A 97 97 ASN N N 97 117.200 115.644 1.556 1
1 1254 . 6 1 1 A 98 98 GLY H H 98 7.820 8.229 -0.409 1
1 1255 . 6 1 1 A 98 98 GLY HA2 H 98 4.470 4.121 0.349 1
1 1256 . 6 1 1 A 98 98 GLY HA3 H 98 3.740 4.125 -0.385 1
1 1257 . 6 1 1 A 98 98 GLY C C 98 174.900 174.571 0.329 1
1 1258 . 6 1 1 A 98 98 GLY CA C 98 44.900 44.120 0.780 1
1 1259 . 6 1 1 A 98 98 GLY N N 98 108.600 107.762 0.838 1
1 1260 . 6 1 1 A 99 99 PRO HA H 99 4.380 4.498 -0.118 1
1 1267 . 6 1 1 A 99 99 PRO C C 99 177.400 176.289 1.111 1
1 1268 . 6 1 1 A 99 99 PRO CA C 99 63.900 63.592 0.308 1
1 1269 . 6 1 1 A 99 99 PRO CB C 99 32.400 31.639 0.761 1
1 1272 . 6 1 1 A 100 100 LEU H H 100 7.750 7.455 0.295 1
1 1273 . 6 1 1 A 100 100 LEU HA H 100 4.280 4.162 0.118 1
1 1283 . 6 1 1 A 100 100 LEU C C 100 177.400 176.655 0.745 1
1 1284 . 6 1 1 A 100 100 LEU CA C 100 55.800 54.616 1.184 1
1 1285 . 6 1 1 A 100 100 LEU CB C 100 42.600 41.796 0.804 1
1 1289 . 6 1 1 A 100 100 LEU N N 100 120.300 119.548 0.752 1
1 1290 . 6 1 1 A 101 101 GLY H H 101 8.620 8.494 0.126 1
1 1291 . 6 1 1 A 101 101 GLY HA2 H 101 4.110 4.101 0.009 1
1 1292 . 6 1 1 A 101 101 GLY HA3 H 101 3.890 4.108 -0.218 1
1 1293 . 6 1 1 A 101 101 GLY C C 101 173.600 174.612 -1.012 1
1 1294 . 6 1 1 A 101 101 GLY CA C 101 44.300 44.102 0.198 1
1 1295 . 6 1 1 A 101 101 GLY N N 101 110.600 111.723 -1.123 1
1 1296 . 6 1 1 A 102 102 ALA H H 102 8.310 8.993 -0.683 1
1 1297 . 6 1 1 A 102 102 ALA HA H 102 3.520 3.736 -0.216 1
1 1301 . 6 1 1 A 102 102 ALA C C 102 178.900 179.333 -0.433 1
1 1302 . 6 1 1 A 102 102 ALA CA C 102 55.400 54.543 0.857 1
1 1303 . 6 1 1 A 102 102 ALA CB C 102 18.600 18.203 0.397 1
1 1304 . 6 1 1 A 102 102 ALA N N 102 122.000 123.642 -1.642 1
1 1305 . 6 1 1 A 103 103 LYS H H 103 8.360 7.859 0.501 1
1 1306 . 6 1 1 A 103 103 LYS HA H 103 3.730 3.847 -0.117 1
1 1315 . 6 1 1 A 103 103 LYS C C 103 179.400 179.544 -0.144 1
1 1316 . 6 1 1 A 103 103 LYS CA C 103 60.000 59.386 0.614 1
1 1317 . 6 1 1 A 103 103 LYS CB C 103 31.900 32.050 -0.150 1
1 1321 . 6 1 1 A 103 103 LYS N N 103 116.500 117.014 -0.514 1
1 1322 . 6 1 1 A 104 104 GLU H H 104 7.890 7.940 -0.050 1
1 1323 . 6 1 1 A 104 104 GLU HA H 104 4.080 4.046 0.034 1
1 1328 . 6 1 1 A 104 104 GLU C C 104 179.300 179.537 -0.237 1
1 1329 . 6 1 1 A 104 104 GLU CA C 104 59.500 59.102 0.398 1
1 1330 . 6 1 1 A 104 104 GLU CB C 104 29.100 29.587 -0.487 1
1 1332 . 6 1 1 A 104 104 GLU N N 104 120.000 120.087 -0.087 1
1 1333 . 6 1 1 A 105 105 ILE H H 105 8.170 8.277 -0.107 1
1 1334 . 6 1 1 A 105 105 ILE HA H 105 3.520 3.676 -0.156 1
1 1344 . 6 1 1 A 105 105 ILE C C 105 178.100 178.207 -0.107 1
1 1345 . 6 1 1 A 105 105 ILE CA C 105 66.700 65.345 1.355 1
1 1346 . 6 1 1 A 105 105 ILE CB C 105 37.700 37.701 -0.001 1
1 1350 . 6 1 1 A 105 105 ILE N N 105 119.500 120.343 -0.843 1
1 1351 . 6 1 1 A 106 106 HIS H H 106 8.930 8.302 0.628 1
1 1352 . 6 1 1 A 106 106 HIS HA H 106 4.230 4.135 0.095 1
1 1356 . 6 1 1 A 106 106 HIS C C 106 178.000 177.755 0.245 1
1 1357 . 6 1 1 A 106 106 HIS CA C 106 57.600 59.794 -2.194 1
1 1358 . 6 1 1 A 106 106 HIS CB C 106 28.400 29.608 -1.208 1
1 1360 . 6 1 1 A 106 106 HIS N N 106 116.700 120.200 -3.500 1
1 1361 . 6 1 1 A 107 107 SER H H 107 8.060 8.113 -0.053 1
1 1362 . 6 1 1 A 107 107 SER HA H 107 4.310 4.095 0.215 1
1 1365 . 6 1 1 A 107 107 SER C C 107 175.900 176.365 -0.465 1
1 1366 . 6 1 1 A 107 107 SER CA C 107 62.200 61.825 0.375 1
1 1367 . 6 1 1 A 107 107 SER CB C 107 62.500 63.061 -0.561 1
1 1368 . 6 1 1 A 107 107 SER N N 107 117.000 115.341 1.659 1
1 1369 . 6 1 1 A 108 108 LEU H H 108 7.950 8.154 -0.204 1
1 1370 . 6 1 1 A 108 108 LEU HA H 108 4.180 4.000 0.180 1
1 1380 . 6 1 1 A 108 108 LEU C C 108 180.600 178.974 1.626 1
1 1381 . 6 1 1 A 108 108 LEU CA C 108 57.900 58.014 -0.114 1
1 1382 . 6 1 1 A 108 108 LEU CB C 108 42.500 41.835 0.665 1
1 1386 . 6 1 1 A 108 108 LEU N N 108 121.800 120.333 1.467 1
1 1387 . 6 1 1 A 109 109 ILE H H 109 8.730 8.229 0.501 1
1 1388 . 6 1 1 A 109 109 ILE HA H 109 3.830 3.553 0.277 1
1 1398 . 6 1 1 A 109 109 ILE C C 109 176.800 178.172 -1.372 1
1 1399 . 6 1 1 A 109 109 ILE CA C 109 65.800 65.839 -0.039 1
1 1400 . 6 1 1 A 109 109 ILE CB C 109 38.600 37.675 0.925 1
1 1404 . 6 1 1 A 109 109 ILE N N 109 120.200 119.823 0.377 1
1 1405 . 6 1 1 A 110 110 GLU H H 110 7.960 8.677 -0.717 1
1 1406 . 6 1 1 A 110 110 GLU HA H 110 4.280 3.928 0.352 1
1 1411 . 6 1 1 A 110 110 GLU C C 110 178.500 178.359 0.141 1
1 1412 . 6 1 1 A 110 110 GLU CA C 110 58.800 59.976 -1.176 1
1 1413 . 6 1 1 A 110 110 GLU CB C 110 28.200 29.347 -1.147 1
1 1415 . 6 1 1 A 110 110 GLU N N 110 120.800 121.422 -0.622 1
1 1416 . 6 1 1 A 111 111 ASP H H 111 8.290 8.201 0.089 1
1 1417 . 6 1 1 A 111 111 ASP HA H 111 4.470 4.403 0.067 1
1 1420 . 6 1 1 A 111 111 ASP C C 111 178.200 178.565 -0.365 1
1 1421 . 6 1 1 A 111 111 ASP CA C 111 57.100 57.684 -0.584 1
1 1422 . 6 1 1 A 111 111 ASP CB C 111 39.300 41.463 -2.163 1
1 1423 . 6 1 1 A 111 111 ASP N N 111 119.200 120.226 -1.026 1
1 1424 . 6 1 1 A 112 112 SER H H 112 7.800 8.175 -0.375 1
1 1425 . 6 1 1 A 112 112 SER HA H 112 4.200 4.256 -0.056 1
1 1428 . 6 1 1 A 112 112 SER C C 112 178.600 175.789 2.811 1
1 1429 . 6 1 1 A 112 112 SER CA C 112 61.200 62.176 -0.976 1
1 1430 . 6 1 1 A 112 112 SER CB C 112 64.200 63.502 0.698 1
1 1431 . 6 1 1 A 112 112 SER N N 112 114.700 116.781 -2.081 1
1 1432 . 6 1 1 A 113 113 PHE H H 113 9.160 8.270 0.890 1
1 1433 . 6 1 1 A 113 113 PHE HA H 113 3.210 4.174 -0.964 1
1 1436 . 6 1 1 A 113 113 PHE C C 113 178.100 178.032 0.068 1
1 1437 . 6 1 1 A 113 113 PHE CA C 113 62.900 61.539 1.361 1
1 1438 . 6 1 1 A 113 113 PHE CB C 113 39.100 39.357 -0.257 1
1 1439 . 6 1 1 A 113 113 PHE N N 113 121.400 122.280 -0.880 1
1 1440 . 6 1 1 A 114 114 GLN H H 114 8.870 8.076 0.794 1
1 1441 . 6 1 1 A 114 114 GLN HA H 114 4.000 3.991 0.009 1
1 1448 . 6 1 1 A 114 114 GLN C C 114 179.700 178.418 1.282 1
1 1449 . 6 1 1 A 114 114 GLN CA C 114 58.300 58.016 0.284 1
1 1450 . 6 1 1 A 114 114 GLN CB C 114 27.600 27.731 -0.131 1
1 1453 . 6 1 1 A 114 114 GLN N N 114 116.800 117.490 -0.690 1
1 1455 . 6 1 1 A 115 115 LEU H H 115 8.570 7.773 0.797 1
1 1456 . 6 1 1 A 115 115 LEU HA H 115 4.090 3.921 0.169 1
1 1466 . 6 1 1 A 115 115 LEU C C 115 178.600 178.582 0.018 1
1 1467 . 6 1 1 A 115 115 LEU CA C 115 57.300 57.865 -0.565 1
1 1468 . 6 1 1 A 115 115 LEU CB C 115 43.200 41.958 1.242 1
1 1472 . 6 1 1 A 115 115 LEU N N 115 119.800 122.719 -2.919 1
1 1473 . 6 1 1 A 116 116 THR H H 116 7.240 6.962 0.278 1
1 1474 . 6 1 1 A 116 116 THR HA H 116 4.270 4.396 -0.126 1
1 1480 . 6 1 1 A 116 116 THR C C 116 173.200 174.366 -1.166 1
1 1481 . 6 1 1 A 116 116 THR CA C 116 60.700 61.218 -0.518 1
1 1482 . 6 1 1 A 116 116 THR CB C 116 70.800 69.170 1.630 1
1 1484 . 6 1 1 A 116 116 THR N N 116 104.900 105.605 -0.705 1
1 1485 . 6 1 1 A 117 117 ARG H H 117 6.840 7.178 -0.338 1
1 1486 . 6 1 1 A 117 117 ARG HA H 117 3.060 3.913 -0.853 1
1 1494 . 6 1 1 A 117 117 ARG C C 117 175.200 176.406 -1.206 1
1 1495 . 6 1 1 A 117 117 ARG CA C 117 55.900 56.613 -0.713 1
1 1496 . 6 1 1 A 117 117 ARG CB C 117 31.100 30.634 0.466 1
1 1500 . 6 1 1 A 117 117 ARG N N 117 120.900 124.011 -3.111 1
1 1502 . 6 1 1 A 118 118 LEU H H 118 8.380 8.531 -0.151 1
1 1503 . 6 1 1 A 118 118 LEU HA H 118 4.100 4.164 -0.064 1
1 1513 . 6 1 1 A 118 118 LEU C C 118 176.500 177.165 -0.665 1
1 1514 . 6 1 1 A 118 118 LEU CA C 118 55.300 54.975 0.325 1
1 1515 . 6 1 1 A 118 118 LEU CB C 118 42.400 42.979 -0.579 1
1 1519 . 6 1 1 A 118 118 LEU N N 118 122.600 126.647 -4.047 1
1 1520 . 6 1 1 A 119 119 GLU H H 119 8.330 9.038 -0.708 1
1 1521 . 6 1 1 A 119 119 GLU HA H 119 4.160 3.636 0.524 1
1 1526 . 6 1 1 A 119 119 GLU C C 119 175.800 176.215 -0.415 1
1 1527 . 6 1 1 A 119 119 GLU CA C 119 56.000 57.334 -1.334 1
1 1528 . 6 1 1 A 119 119 GLU CB C 119 30.300 26.648 3.652 1
1 1530 . 6 1 1 A 119 119 GLU N N 119 124.000 118.232 5.768 1
1 1531 . 6 1 1 A 120 120 HIS H H 120 8.520 7.957 0.563 1
1 1532 . 6 1 1 A 120 120 HIS HA H 120 4.620 4.240 0.380 1
1 1535 . 6 1 1 A 120 120 HIS C C 120 174.000 174.867 -0.867 1
1 1536 . 6 1 1 A 120 120 HIS CA C 120 55.300 58.939 -3.639 1
1 1537 . 6 1 1 A 120 120 HIS CB C 120 29.300 30.229 -0.929 1
1 1538 . 6 1 1 A 120 120 HIS N N 120 120.100 117.902 2.198 1
1 1539 . 6 1 1 A 121 121 HIS H H 121 8.580 7.591 0.989 1
1 1540 . 6 1 1 A 121 121 HIS HA H 121 4.620 4.460 0.160 1
1 1543 . 6 1 1 A 121 121 HIS C C 121 173.500 174.395 -0.895 1
1 1544 . 6 1 1 A 121 121 HIS CA C 121 55.300 55.902 -0.602 1
1 1545 . 6 1 1 A 121 121 HIS CB C 121 29.200 30.017 -0.817 1
1 1546 . 6 1 1 A 121 121 HIS N N 121 120.800 114.233 6.567 1
1 1547 . 6 1 1 A 122 122 HIS H H 122 8.400 8.810 -0.410 1
1 1548 . 6 1 1 A 122 122 HIS HA H 122 4.620 4.779 -0.159 1
1 1551 . 6 1 1 A 122 122 HIS CA C 122 55.300 56.004 -0.704 1
1 1552 . 6 1 1 A 122 122 HIS CB C 122 29.200 31.152 -1.952 1
1 1553 . 6 1 1 A 122 122 HIS N N 122 125.700 123.860 1.840 1
1 1554 . 6 1 1 A 123 123 HIS H H 123 8.690 8.110 0.580 1
1 1555 . 6 1 1 A 123 123 HIS HA H 123 4.640 4.895 -0.255 1
1 1558 . 6 1 1 A 123 123 HIS C C 123 174.100 174.876 -0.776 1
1 1559 . 6 1 1 A 123 123 HIS CA C 123 55.300 55.265 0.035 1
1 1560 . 6 1 1 A 123 123 HIS CB C 123 29.300 33.465 -4.165 1
1 1561 . 6 1 1 A 123 123 HIS N N 123 120.200 125.254 -5.054 1
1 1562 . 6 1 1 A 124 124 HIS H H 124 8.710 8.677 0.033 1
1 1563 . 6 1 1 A 124 124 HIS HA H 124 4.640 4.068 0.572 1
1 1566 . 6 1 1 A 124 124 HIS C C 124 174.200 175.533 -1.333 1
1 1567 . 6 1 1 A 124 124 HIS CA C 124 55.300 58.750 -3.450 1
1 1568 . 6 1 1 A 124 124 HIS CB C 124 29.300 29.248 0.052 1
1 14 . 7 1 1 A 2 2 ASN H H 2 8.500 8.703 -0.203 1
1 15 . 7 1 1 A 2 2 ASN HA H 2 4.990 5.045 -0.055 1
1 20 . 7 1 1 A 2 2 ASN C C 2 175.600 177.118 -1.518 1
1 21 . 7 1 1 A 2 2 ASN CA C 2 51.000 52.300 -1.300 1
1 22 . 7 1 1 A 2 2 ASN CB C 2 40.000 39.637 0.363 1
1 24 . 7 1 1 A 2 2 ASN N N 2 122.000 117.801 4.199 1
1 26 . 7 1 1 A 3 3 ARG H H 3 8.950 9.021 -0.071 1
1 27 . 7 1 1 A 3 3 ARG HA H 3 3.850 3.990 -0.140 1
1 35 . 7 1 1 A 3 3 ARG C C 3 175.600 177.787 -2.187 1
1 36 . 7 1 1 A 3 3 ARG CA C 3 60.400 59.731 0.669 1
1 37 . 7 1 1 A 3 3 ARG CB C 3 30.900 29.915 0.985 1
1 41 . 7 1 1 A 3 3 ARG N N 3 117.600 123.773 -6.173 1
1 43 . 7 1 1 A 4 4 GLN H H 4 8.370 8.104 0.266 1
1 44 . 7 1 1 A 4 4 GLN HA H 4 3.900 4.135 -0.235 1
1 51 . 7 1 1 A 4 4 GLN C C 4 178.300 178.294 0.006 1
1 52 . 7 1 1 A 4 4 GLN CA C 4 58.900 59.311 -0.411 1
1 53 . 7 1 1 A 4 4 GLN CB C 4 28.200 28.279 -0.079 1
1 56 . 7 1 1 A 4 4 GLN N N 4 120.700 118.745 1.955 1
1 58 . 7 1 1 A 5 5 GLN H H 5 8.670 8.143 0.527 1
1 59 . 7 1 1 A 5 5 GLN HA H 5 4.190 4.121 0.069 1
1 66 . 7 1 1 A 5 5 GLN C C 5 180.000 178.603 1.397 1
1 67 . 7 1 1 A 5 5 GLN CA C 5 58.500 59.053 -0.553 1
1 68 . 7 1 1 A 5 5 GLN CB C 5 28.900 28.309 0.591 1
1 71 . 7 1 1 A 5 5 GLN N N 5 117.700 118.464 -0.764 1
1 73 . 7 1 1 A 6 6 PHE H H 6 8.270 7.983 0.287 1
1 74 . 7 1 1 A 6 6 PHE HA H 6 4.130 4.221 -0.091 1
1 82 . 7 1 1 A 6 6 PHE C C 6 175.500 177.338 -1.838 1
1 83 . 7 1 1 A 6 6 PHE CA C 6 62.700 61.253 1.447 1
1 84 . 7 1 1 A 6 6 PHE CB C 6 39.000 39.310 -0.310 1
1 90 . 7 1 1 A 6 6 PHE N N 6 121.200 121.257 -0.057 1
1 91 . 7 1 1 A 7 7 ILE H H 7 8.390 8.102 0.288 1
1 92 . 7 1 1 A 7 7 ILE HA H 7 3.280 3.588 -0.308 1
1 102 . 7 1 1 A 7 7 ILE C C 7 178.900 177.486 1.414 1
1 103 . 7 1 1 A 7 7 ILE CA C 7 66.400 65.492 0.908 1
1 104 . 7 1 1 A 7 7 ILE CB C 7 38.500 37.912 0.588 1
1 108 . 7 1 1 A 7 7 ILE N N 7 121.000 120.875 0.125 1
1 109 . 7 1 1 A 8 8 ASP H H 8 8.710 8.050 0.660 1
1 110 . 7 1 1 A 8 8 ASP HA H 8 4.370 4.268 0.102 1
1 113 . 7 1 1 A 8 8 ASP C C 8 178.000 178.285 -0.285 1
1 114 . 7 1 1 A 8 8 ASP CA C 8 57.300 57.483 -0.183 1
1 115 . 7 1 1 A 8 8 ASP CB C 8 40.600 40.395 0.205 1
1 116 . 7 1 1 A 8 8 ASP N N 8 119.800 119.410 0.390 1
1 117 . 7 1 1 A 9 9 TYR H H 9 8.060 8.498 -0.438 1
1 118 . 7 1 1 A 9 9 TYR HA H 9 4.000 4.142 -0.142 1
1 125 . 7 1 1 A 9 9 TYR C C 9 176.500 177.729 -1.229 1
1 126 . 7 1 1 A 9 9 TYR CA C 9 61.700 61.610 0.090 1
1 127 . 7 1 1 A 9 9 TYR CB C 9 38.600 38.528 0.072 1
1 132 . 7 1 1 A 9 9 TYR N N 9 121.600 123.043 -1.443 1
1 133 . 7 1 1 A 10 10 ALA H H 10 8.340 8.288 0.052 1
1 134 . 7 1 1 A 10 10 ALA HA H 10 3.730 3.923 -0.193 1
1 138 . 7 1 1 A 10 10 ALA C C 10 180.200 179.467 0.733 1
1 139 . 7 1 1 A 10 10 ALA CA C 10 55.200 54.661 0.539 1
1 140 . 7 1 1 A 10 10 ALA CB C 10 17.300 17.956 -0.656 1
1 141 . 7 1 1 A 10 10 ALA N N 10 120.700 121.630 -0.930 1
1 142 . 7 1 1 A 11 11 GLN H H 11 7.830 8.119 -0.289 1
1 143 . 7 1 1 A 11 11 GLN HA H 11 4.130 3.919 0.211 1
1 150 . 7 1 1 A 11 11 GLN C C 11 178.300 178.408 -0.108 1
1 151 . 7 1 1 A 11 11 GLN CA C 11 59.200 59.109 0.091 1
1 152 . 7 1 1 A 11 11 GLN CB C 11 28.600 28.255 0.345 1
1 155 . 7 1 1 A 11 11 GLN N N 11 116.600 117.626 -1.026 1
1 157 . 7 1 1 A 12 12 LYS H H 12 8.040 7.965 0.075 1
1 158 . 7 1 1 A 12 12 LYS HA H 12 3.890 3.921 -0.031 1
1 167 . 7 1 1 A 12 12 LYS C C 12 178.200 177.946 0.254 1
1 168 . 7 1 1 A 12 12 LYS CA C 12 58.800 58.992 -0.192 1
1 169 . 7 1 1 A 12 12 LYS CB C 12 32.700 31.878 0.822 1
1 173 . 7 1 1 A 12 12 LYS N N 12 119.300 119.900 -0.600 1
1 174 . 7 1 1 A 13 13 LYS H H 13 8.440 7.410 1.030 1
1 175 . 7 1 1 A 13 13 LYS HA H 13 3.610 3.629 -0.019 1
1 184 . 7 1 1 A 13 13 LYS C C 13 177.600 176.958 0.642 1
1 185 . 7 1 1 A 13 13 LYS CA C 13 56.900 58.001 -1.101 1
1 186 . 7 1 1 A 13 13 LYS CB C 13 32.000 32.307 -0.307 1
1 190 . 7 1 1 A 13 13 LYS N N 13 117.700 118.547 -0.847 1
1 191 . 7 1 1 A 14 14 TYR H H 14 6.780 8.056 -1.276 1
1 192 . 7 1 1 A 14 14 TYR HA H 14 4.530 4.588 -0.058 1
1 199 . 7 1 1 A 14 14 TYR C C 14 175.800 174.738 1.062 1
1 200 . 7 1 1 A 14 14 TYR CA C 14 56.600 57.928 -1.328 1
1 201 . 7 1 1 A 14 14 TYR CB C 14 39.500 40.128 -0.628 1
1 206 . 7 1 1 A 14 14 TYR N N 14 113.100 113.560 -0.460 1
1 207 . 7 1 1 A 15 15 ASP H H 15 7.620 8.616 -0.996 1
1 208 . 7 1 1 A 15 15 ASP HA H 15 4.810 4.430 0.380 1
1 211 . 7 1 1 A 15 15 ASP C C 15 175.200 175.338 -0.138 1
1 212 . 7 1 1 A 15 15 ASP CA C 15 55.100 55.119 -0.019 1
1 213 . 7 1 1 A 15 15 ASP CB C 15 39.300 39.769 -0.469 1
1 214 . 7 1 1 A 15 15 ASP N N 15 119.600 120.155 -0.555 1
1 215 . 7 1 1 A 16 16 THR H H 16 7.560 7.694 -0.134 1
1 216 . 7 1 1 A 16 16 THR HA H 16 4.650 4.787 -0.137 1
1 222 . 7 1 1 A 16 16 THR C C 16 173.200 173.365 -0.165 1
1 223 . 7 1 1 A 16 16 THR CA C 16 61.500 60.468 1.032 1
1 224 . 7 1 1 A 16 16 THR CB C 16 71.000 72.039 -1.039 1
1 226 . 7 1 1 A 16 16 THR N N 16 113.100 107.514 5.586 1
1 227 . 7 1 1 A 17 17 LYS H H 17 8.830 8.445 0.385 1
1 228 . 7 1 1 A 17 17 LYS HA H 17 4.690 4.796 -0.106 1
1 235 . 7 1 1 A 17 17 LYS C C 17 173.200 174.366 -1.166 1
1 236 . 7 1 1 A 17 17 LYS CA C 17 53.600 53.724 -0.124 1
1 237 . 7 1 1 A 17 17 LYS CB C 17 32.800 32.026 0.774 1
1 241 . 7 1 1 A 17 17 LYS N N 17 127.200 126.733 0.467 1
1 242 . 7 1 1 A 18 18 PRO HA H 18 3.540 4.181 -0.641 1
1 249 . 7 1 1 A 18 18 PRO C C 18 175.800 174.982 0.818 1
1 250 . 7 1 1 A 18 18 PRO CA C 18 62.000 62.950 -0.950 1
1 251 . 7 1 1 A 18 18 PRO CB C 18 32.200 32.643 -0.443 1
1 254 . 7 1 1 A 19 19 ASP H H 19 8.310 8.424 -0.114 1
1 255 . 7 1 1 A 19 19 ASP HA H 19 4.740 5.071 -0.331 1
1 258 . 7 1 1 A 19 19 ASP C C 19 175.100 174.126 0.974 1
1 259 . 7 1 1 A 19 19 ASP CA C 19 52.300 52.914 -0.614 1
1 260 . 7 1 1 A 19 19 ASP CB C 19 43.700 44.595 -0.895 1
1 261 . 7 1 1 A 19 19 ASP N N 19 120.300 121.043 -0.743 1
1 262 . 7 1 1 A 20 20 HIS H H 20 8.620 8.401 0.219 1
1 263 . 7 1 1 A 20 20 HIS HA H 20 5.170 5.195 -0.025 1
1 266 . 7 1 1 A 20 20 HIS CA C 20 53.200 52.456 0.744 1
1 267 . 7 1 1 A 20 20 HIS CB C 20 28.800 29.929 -1.129 1
1 268 . 7 1 1 A 20 20 HIS N N 20 118.800 120.879 -2.079 1
1 269 . 7 1 1 A 21 21 PRO HA H 21 4.190 4.098 0.092 1
1 276 . 7 1 1 A 21 21 PRO C C 21 176.600 176.283 0.317 1
1 277 . 7 1 1 A 21 21 PRO CA C 21 63.900 64.987 -1.087 1
1 278 . 7 1 1 A 21 21 PRO CB C 21 32.100 31.180 0.920 1
1 281 . 7 1 1 A 22 22 TRP H H 22 8.340 7.676 0.664 1
1 282 . 7 1 1 A 22 22 TRP HA H 22 5.000 4.802 0.198 1
1 291 . 7 1 1 A 22 22 TRP C C 22 174.200 177.481 -3.281 1
1 292 . 7 1 1 A 22 22 TRP CA C 22 57.100 57.014 0.086 1
1 293 . 7 1 1 A 22 22 TRP CB C 22 29.400 29.438 -0.038 1
1 299 . 7 1 1 A 22 22 TRP N N 22 118.700 118.452 0.248 1
1 301 . 7 1 1 A 23 23 GLU H H 23 9.030 8.902 0.128 1
1 302 . 7 1 1 A 23 23 GLU HA H 23 4.000 4.258 -0.258 1
1 307 . 7 1 1 A 23 23 GLU C C 23 177.900 177.550 0.350 1
1 308 . 7 1 1 A 23 23 GLU CA C 23 59.100 58.945 0.155 1
1 309 . 7 1 1 A 23 23 GLU CB C 23 29.200 29.140 0.060 1
1 311 . 7 1 1 A 23 23 GLU N N 23 128.400 124.546 3.854 1
1 312 . 7 1 1 A 24 24 LYS H H 24 8.500 7.902 0.598 1
1 313 . 7 1 1 A 24 24 LYS HA H 24 3.890 4.059 -0.169 1
1 322 . 7 1 1 A 24 24 LYS C C 24 175.300 176.490 -1.190 1
1 323 . 7 1 1 A 24 24 LYS CA C 24 57.100 57.851 -0.751 1
1 324 . 7 1 1 A 24 24 LYS CB C 24 32.300 32.027 0.273 1
1 328 . 7 1 1 A 24 24 LYS N N 24 115.100 117.808 -2.708 1
1 329 . 7 1 1 A 25 25 PHE H H 25 7.010 7.887 -0.877 1
1 330 . 7 1 1 A 25 25 PHE HA H 25 4.740 5.060 -0.320 1
1 338 . 7 1 1 A 25 25 PHE C C 25 175.300 174.646 0.654 1
1 339 . 7 1 1 A 25 25 PHE CA C 25 54.300 54.780 -0.480 1
1 340 . 7 1 1 A 25 25 PHE CB C 25 39.200 38.701 0.499 1
1 346 . 7 1 1 A 25 25 PHE N N 25 115.100 117.476 -2.376 1
1 347 . 7 1 1 A 26 26 PRO HA H 26 4.380 4.530 -0.150 1
1 354 . 7 1 1 A 26 26 PRO C C 26 176.900 177.070 -0.170 1
1 355 . 7 1 1 A 26 26 PRO CA C 26 64.900 64.922 -0.022 1
1 356 . 7 1 1 A 26 26 PRO CB C 26 32.200 31.790 0.410 1
1 359 . 7 1 1 A 27 27 ASP H H 27 8.860 8.739 0.121 1
1 360 . 7 1 1 A 27 27 ASP HA H 27 4.810 4.630 0.180 1
1 363 . 7 1 1 A 27 27 ASP C C 27 177.200 176.513 0.687 1
1 364 . 7 1 1 A 27 27 ASP CA C 27 53.900 55.138 -1.238 1
1 365 . 7 1 1 A 27 27 ASP CB C 27 39.900 41.435 -1.535 1
1 366 . 7 1 1 A 27 27 ASP N N 27 114.400 117.900 -3.500 1
1 367 . 7 1 1 A 28 28 TYR H H 28 8.300 7.882 0.418 1
1 368 . 7 1 1 A 28 28 TYR HA H 28 5.500 4.872 0.628 1
1 375 . 7 1 1 A 28 28 TYR C C 28 175.900 176.392 -0.492 1
1 376 . 7 1 1 A 28 28 TYR CA C 28 55.600 58.081 -2.481 1
1 377 . 7 1 1 A 28 28 TYR CB C 28 36.400 40.543 -4.143 1
1 382 . 7 1 1 A 28 28 TYR N N 28 123.700 119.264 4.436 1
1 383 . 7 1 1 A 29 29 ALA H H 29 9.240 8.378 0.862 1
1 384 . 7 1 1 A 29 29 ALA HA H 29 5.030 5.229 -0.199 1
1 388 . 7 1 1 A 29 29 ALA C C 29 174.600 175.611 -1.011 1
1 389 . 7 1 1 A 29 29 ALA CA C 29 49.700 50.435 -0.735 1
1 390 . 7 1 1 A 29 29 ALA CB C 29 22.800 22.137 0.663 1
1 391 . 7 1 1 A 29 29 ALA N N 29 126.000 124.199 1.801 1
1 392 . 7 1 1 A 30 30 VAL H H 30 8.530 8.563 -0.033 1
1 393 . 7 1 1 A 30 30 VAL HA H 30 4.250 4.744 -0.494 1
1 401 . 7 1 1 A 30 30 VAL C C 30 173.400 174.422 -1.022 1
1 402 . 7 1 1 A 30 30 VAL CA C 30 60.300 60.882 -0.582 1
1 403 . 7 1 1 A 30 30 VAL CB C 30 34.100 35.082 -0.982 1
1 406 . 7 1 1 A 30 30 VAL N N 30 119.700 121.667 -1.967 1
1 407 . 7 1 1 A 31 31 PHE H H 31 8.040 8.493 -0.453 1
1 408 . 7 1 1 A 31 31 PHE HA H 31 4.250 5.137 -0.887 1
1 416 . 7 1 1 A 31 31 PHE C C 31 173.200 174.721 -1.521 1
1 417 . 7 1 1 A 31 31 PHE CA C 31 56.700 56.358 0.342 1
1 418 . 7 1 1 A 31 31 PHE CB C 31 38.500 41.737 -3.237 1
1 424 . 7 1 1 A 31 31 PHE N N 31 124.100 125.943 -1.843 1
1 425 . 7 1 1 A 32 32 ARG H H 32 8.720 8.888 -0.168 1
1 426 . 7 1 1 A 32 32 ARG HA H 32 5.320 4.745 0.575 1
1 434 . 7 1 1 A 32 32 ARG C C 32 176.400 173.487 2.913 1
1 435 . 7 1 1 A 32 32 ARG CA C 32 53.400 53.822 -0.422 1
1 436 . 7 1 1 A 32 32 ARG CB C 32 34.200 32.759 1.441 1
1 440 . 7 1 1 A 32 32 ARG N N 32 122.300 119.766 2.534 1
1 442 . 7 1 1 A 33 33 HIS H H 33 8.560 8.889 -0.329 1
1 443 . 7 1 1 A 33 33 HIS HA H 33 4.710 4.930 -0.220 1
1 446 . 7 1 1 A 33 33 HIS C C 33 176.400 175.825 0.575 1
1 447 . 7 1 1 A 33 33 HIS CA C 33 56.500 54.293 2.207 1
1 448 . 7 1 1 A 33 33 HIS CB C 33 28.900 30.259 -1.359 1
1 449 . 7 1 1 A 33 33 HIS N N 33 119.800 121.638 -1.838 1
1 450 . 7 1 1 A 34 34 SER H H 34 9.160 8.804 0.356 1
1 451 . 7 1 1 A 34 34 SER HA H 34 4.390 4.302 0.088 1
1 454 . 7 1 1 A 34 34 SER C C 34 174.900 174.510 0.390 1
1 455 . 7 1 1 A 34 34 SER CA C 34 60.400 60.408 -0.008 1
1 456 . 7 1 1 A 34 34 SER CB C 34 63.200 63.123 0.077 1
1 457 . 7 1 1 A 34 34 SER N N 34 118.700 118.004 0.696 1
1 458 . 7 1 1 A 35 35 ASP H H 35 8.660 8.014 0.646 1
1 459 . 7 1 1 A 35 35 ASP HA H 35 4.570 4.559 0.011 1
1 462 . 7 1 1 A 35 35 ASP C C 35 177.000 177.210 -0.210 1
1 463 . 7 1 1 A 35 35 ASP CA C 35 54.300 54.964 -0.664 1
1 464 . 7 1 1 A 35 35 ASP CB C 35 39.700 41.159 -1.459 1
1 465 . 7 1 1 A 35 35 ASP N N 35 118.200 120.791 -2.591 1
1 466 . 7 1 1 A 36 36 ASN H H 36 7.900 7.673 0.227 1
1 467 . 7 1 1 A 36 36 ASN HA H 36 4.660 5.036 -0.376 1
1 472 . 7 1 1 A 36 36 ASN C C 36 175.100 175.065 0.035 1
1 473 . 7 1 1 A 36 36 ASN CA C 36 52.000 52.871 -0.871 1
1 474 . 7 1 1 A 36 36 ASN CB C 36 38.900 38.851 0.049 1
1 476 . 7 1 1 A 36 36 ASN N N 36 116.200 116.140 0.060 1
1 478 . 7 1 1 A 37 37 ASP H H 37 7.890 8.413 -0.523 1
1 479 . 7 1 1 A 37 37 ASP HA H 37 4.670 4.633 0.037 1
1 482 . 7 1 1 A 37 37 ASP C C 37 175.800 175.633 0.167 1
1 483 . 7 1 1 A 37 37 ASP CA C 37 55.800 57.031 -1.231 1
1 484 . 7 1 1 A 37 37 ASP CB C 37 40.500 40.246 0.254 1
1 485 . 7 1 1 A 37 37 ASP N N 37 115.300 118.615 -3.315 1
1 486 . 7 1 1 A 38 38 LYS H H 38 8.310 8.686 -0.376 1
1 487 . 7 1 1 A 38 38 LYS HA H 38 4.390 4.350 0.040 1
1 496 . 7 1 1 A 38 38 LYS C C 38 175.300 176.401 -1.101 1
1 497 . 7 1 1 A 38 38 LYS CA C 38 56.700 56.287 0.413 1
1 498 . 7 1 1 A 38 38 LYS CB C 38 32.500 33.592 -1.092 1
1 502 . 7 1 1 A 38 38 LYS N N 38 119.300 119.250 0.050 1
1 503 . 7 1 1 A 39 39 TRP HA H 39 5.000 5.491 -0.491 1
1 512 . 7 1 1 A 39 39 TRP C C 39 176.100 173.536 2.564 1
1 513 . 7 1 1 A 39 39 TRP CA C 39 55.700 56.149 -0.449 1
1 514 . 7 1 1 A 39 39 TRP CB C 39 30.300 31.807 -1.507 1
1 521 . 7 1 1 A 40 40 TYR H H 40 9.270 9.037 0.233 1
1 522 . 7 1 1 A 40 40 TYR HA H 40 5.280 5.311 -0.031 1
1 525 . 7 1 1 A 40 40 TYR C C 40 175.400 173.715 1.685 1
1 526 . 7 1 1 A 40 40 TYR CA C 40 55.700 58.036 -2.336 1
1 527 . 7 1 1 A 40 40 TYR CB C 40 40.300 42.336 -2.036 1
1 528 . 7 1 1 A 40 40 TYR N N 40 114.000 122.113 -8.113 1
1 529 . 7 1 1 A 41 41 ALA H H 41 7.760 8.467 -0.707 1
1 530 . 7 1 1 A 41 41 ALA HA H 41 5.580 4.990 0.590 1
1 534 . 7 1 1 A 41 41 ALA C C 41 177.300 175.399 1.901 1
1 535 . 7 1 1 A 41 41 ALA CA C 41 52.900 51.726 1.174 1
1 536 . 7 1 1 A 41 41 ALA CB C 41 21.900 20.459 1.441 1
1 537 . 7 1 1 A 41 41 ALA N N 41 121.500 129.588 -8.088 1
1 538 . 7 1 1 A 42 42 LEU H H 42 8.300 8.850 -0.550 1
1 539 . 7 1 1 A 42 42 LEU HA H 42 5.200 5.167 0.033 1
1 549 . 7 1 1 A 42 42 LEU C C 42 173.300 174.137 -0.837 1
1 550 . 7 1 1 A 42 42 LEU CA C 42 54.100 53.269 0.831 1
1 551 . 7 1 1 A 42 42 LEU CB C 42 45.900 44.780 1.120 1
1 555 . 7 1 1 A 42 42 LEU N N 42 123.700 126.412 -2.712 1
1 556 . 7 1 1 A 43 43 LEU H H 43 9.700 8.951 0.749 1
1 557 . 7 1 1 A 43 43 LEU HA H 43 5.250 5.312 -0.062 1
1 567 . 7 1 1 A 43 43 LEU C C 43 173.300 175.080 -1.780 1
1 568 . 7 1 1 A 43 43 LEU CA C 43 54.000 53.263 0.737 1
1 569 . 7 1 1 A 43 43 LEU CB C 43 46.000 45.258 0.742 1
1 573 . 7 1 1 A 43 43 LEU N N 43 130.400 129.173 1.227 1
1 574 . 7 1 1 A 44 44 MET H H 44 8.800 8.428 0.372 1
1 575 . 7 1 1 A 44 44 MET HA H 44 4.420 4.616 -0.196 1
1 583 . 7 1 1 A 44 44 MET C C 44 172.500 173.262 -0.762 1
1 584 . 7 1 1 A 44 44 MET CA C 44 55.000 53.507 1.493 1
1 585 . 7 1 1 A 44 44 MET CB C 44 39.100 35.178 3.922 1
1 588 . 7 1 1 A 44 44 MET N N 44 122.800 122.804 -0.004 1
1 589 . 7 1 1 A 45 45 ASP H H 45 7.960 8.385 -0.425 1
1 590 . 7 1 1 A 45 45 ASP HA H 45 5.490 5.119 0.371 1
1 593 . 7 1 1 A 45 45 ASP C C 45 175.200 175.723 -0.523 1
1 594 . 7 1 1 A 45 45 ASP CA C 45 51.900 53.473 -1.573 1
1 595 . 7 1 1 A 45 45 ASP CB C 45 40.800 41.732 -0.932 1
1 596 . 7 1 1 A 45 45 ASP N N 45 119.400 120.473 -1.073 1
1 597 . 7 1 1 A 46 46 ILE H H 46 8.800 8.277 0.523 1
1 598 . 7 1 1 A 46 46 ILE HA H 46 4.870 4.834 0.036 1
1 608 . 7 1 1 A 46 46 ILE CA C 46 57.700 56.977 0.723 1
1 609 . 7 1 1 A 46 46 ILE CB C 46 40.100 39.872 0.228 1
1 613 . 7 1 1 A 46 46 ILE N N 46 117.400 118.044 -0.644 1
1 614 . 7 1 1 A 47 47 PRO HA H 47 4.420 4.445 -0.025 1
1 621 . 7 1 1 A 47 47 PRO C C 47 177.800 177.393 0.407 1
1 622 . 7 1 1 A 47 47 PRO CA C 47 63.000 62.999 0.001 1
1 623 . 7 1 1 A 47 47 PRO CB C 47 31.900 32.575 -0.675 1
1 626 . 7 1 1 A 48 48 ALA H H 48 8.550 8.480 0.070 1
1 627 . 7 1 1 A 48 48 ALA HA H 48 3.550 3.976 -0.426 1
1 631 . 7 1 1 A 48 48 ALA C C 48 179.200 179.038 0.162 1
1 632 . 7 1 1 A 48 48 ALA CA C 48 55.200 54.770 0.430 1
1 633 . 7 1 1 A 48 48 ALA CB C 48 17.700 18.195 -0.495 1
1 634 . 7 1 1 A 48 48 ALA N N 48 130.100 126.928 3.172 1
1 635 . 7 1 1 A 49 49 GLU H H 49 8.700 8.531 0.169 1
1 636 . 7 1 1 A 49 49 GLU HA H 49 4.180 4.343 -0.163 1
1 641 . 7 1 1 A 49 49 GLU C C 49 179.800 177.253 2.547 1
1 642 . 7 1 1 A 49 49 GLU CA C 49 58.200 58.046 0.154 1
1 643 . 7 1 1 A 49 49 GLU CB C 49 28.200 27.888 0.312 1
1 645 . 7 1 1 A 49 49 GLU N N 49 114.900 115.985 -1.085 1
1 646 . 7 1 1 A 50 50 LYS H H 50 7.910 7.703 0.207 1
1 647 . 7 1 1 A 50 50 LYS HA H 50 4.060 4.218 -0.158 1
1 656 . 7 1 1 A 50 50 LYS C C 50 178.100 177.708 0.392 1
1 657 . 7 1 1 A 50 50 LYS CA C 50 56.900 57.437 -0.537 1
1 658 . 7 1 1 A 50 50 LYS CB C 50 31.700 32.146 -0.446 1
1 662 . 7 1 1 A 50 50 LYS N N 50 118.100 117.977 0.123 1
1 663 . 7 1 1 A 51 51 ILE H H 51 7.190 7.128 0.062 1
1 664 . 7 1 1 A 51 51 ILE HA H 51 4.490 4.125 0.365 1
1 674 . 7 1 1 A 51 51 ILE C C 51 175.300 176.370 -1.070 1
1 675 . 7 1 1 A 51 51 ILE CA C 51 60.100 59.898 0.202 1
1 676 . 7 1 1 A 51 51 ILE CB C 51 37.400 37.165 0.235 1
1 680 . 7 1 1 A 51 51 ILE N N 51 109.000 112.656 -3.656 1
1 681 . 7 1 1 A 52 52 GLY H H 52 7.370 7.886 -0.516 1
1 682 . 7 1 1 A 52 52 GLY HA2 H 52 4.050 3.910 0.140 1
1 683 . 7 1 1 A 52 52 GLY HA3 H 52 3.730 3.922 -0.192 1
1 684 . 7 1 1 A 52 52 GLY C C 52 174.200 174.079 0.121 1
1 685 . 7 1 1 A 52 52 GLY CA C 52 46.100 44.902 1.198 1
1 686 . 7 1 1 A 52 52 GLY N N 52 106.900 110.457 -3.557 1
1 687 . 7 1 1 A 53 53 ILE H H 53 7.260 7.000 0.260 1
1 688 . 7 1 1 A 53 53 ILE HA H 53 4.040 4.105 -0.065 1
1 698 . 7 1 1 A 53 53 ILE C C 53 174.700 176.551 -1.851 1
1 699 . 7 1 1 A 53 53 ILE CA C 53 60.500 60.610 -0.110 1
1 700 . 7 1 1 A 53 53 ILE CB C 53 38.700 37.675 1.025 1
1 704 . 7 1 1 A 53 53 ILE N N 53 121.900 122.091 -0.191 1
1 705 . 7 1 1 A 54 54 ASN H H 54 8.280 8.794 -0.514 1
1 706 . 7 1 1 A 54 54 ASN HA H 54 4.540 4.472 0.068 1
1 711 . 7 1 1 A 54 54 ASN C C 54 175.400 177.050 -1.650 1
1 712 . 7 1 1 A 54 54 ASN CA C 54 53.700 55.864 -2.164 1
1 713 . 7 1 1 A 54 54 ASN CB C 54 39.000 38.448 0.552 1
1 715 . 7 1 1 A 54 54 ASN N N 54 123.300 123.020 0.280 1
1 717 . 7 1 1 A 55 55 GLY H H 55 8.240 7.991 0.249 1
1 718 . 7 1 1 A 55 55 GLY HA2 H 55 4.230 4.037 0.193 1
1 719 . 7 1 1 A 55 55 GLY HA3 H 55 3.740 4.040 -0.300 1
1 720 . 7 1 1 A 55 55 GLY C C 55 173.200 174.544 -1.344 1
1 721 . 7 1 1 A 55 55 GLY CA C 55 44.800 45.470 -0.670 1
1 722 . 7 1 1 A 55 55 GLY N N 55 110.200 107.119 3.081 1
1 723 . 7 1 1 A 56 56 ASP H H 56 8.320 8.663 -0.343 1
1 724 . 7 1 1 A 56 56 ASP HA H 56 4.700 4.689 0.011 1
1 727 . 7 1 1 A 56 56 ASP C C 56 175.800 176.518 -0.718 1
1 728 . 7 1 1 A 56 56 ASP CA C 56 53.400 53.476 -0.076 1
1 729 . 7 1 1 A 56 56 ASP CB C 56 40.500 40.561 -0.061 1
1 730 . 7 1 1 A 56 56 ASP N N 56 119.000 119.672 -0.672 1
1 731 . 7 1 1 A 57 57 LYS H H 57 7.780 7.329 0.451 1
1 732 . 7 1 1 A 57 57 LYS HA H 57 4.400 4.352 0.048 1
1 741 . 7 1 1 A 57 57 LYS C C 57 175.700 176.042 -0.342 1
1 742 . 7 1 1 A 57 57 LYS CA C 57 55.600 56.549 -0.949 1
1 743 . 7 1 1 A 57 57 LYS CB C 57 33.700 32.707 0.993 1
1 747 . 7 1 1 A 57 57 LYS N N 57 119.500 118.859 0.641 1
1 748 . 7 1 1 A 58 58 ARG H H 58 8.410 8.557 -0.147 1
1 749 . 7 1 1 A 58 58 ARG HA H 58 4.740 4.484 0.256 1
1 757 . 7 1 1 A 58 58 ARG C C 58 176.200 175.985 0.215 1
1 758 . 7 1 1 A 58 58 ARG CA C 58 55.300 56.819 -1.519 1
1 759 . 7 1 1 A 58 58 ARG CB C 58 31.700 30.923 0.777 1
1 763 . 7 1 1 A 58 58 ARG N N 58 120.900 123.720 -2.820 1
1 765 . 7 1 1 A 59 59 VAL H H 59 9.030 8.435 0.595 1
1 766 . 7 1 1 A 59 59 VAL HA H 59 4.570 5.122 -0.552 1
1 774 . 7 1 1 A 59 59 VAL C C 59 173.900 173.231 0.669 1
1 775 . 7 1 1 A 59 59 VAL CA C 59 58.700 58.464 0.236 1
1 776 . 7 1 1 A 59 59 VAL CB C 59 34.700 35.652 -0.952 1
1 779 . 7 1 1 A 59 59 VAL N N 59 115.600 119.384 -3.784 1
1 780 . 7 1 1 A 60 60 ASP H H 60 8.290 9.128 -0.838 1
1 781 . 7 1 1 A 60 60 ASP HA H 60 5.560 5.420 0.140 1
1 784 . 7 1 1 A 60 60 ASP C C 60 175.800 175.598 0.202 1
1 785 . 7 1 1 A 60 60 ASP CA C 60 53.600 52.947 0.653 1
1 786 . 7 1 1 A 60 60 ASP CB C 60 43.100 43.790 -0.690 1
1 787 . 7 1 1 A 60 60 ASP N N 60 120.700 122.950 -2.250 1
1 788 . 7 1 1 A 61 61 VAL H H 61 9.080 8.591 0.489 1
1 789 . 7 1 1 A 61 61 VAL HA H 61 5.150 5.272 -0.122 1
1 797 . 7 1 1 A 61 61 VAL C C 61 173.800 174.324 -0.524 1
1 798 . 7 1 1 A 61 61 VAL CA C 61 57.600 59.139 -1.539 1
1 799 . 7 1 1 A 61 61 VAL CB C 61 35.500 35.846 -0.346 1
1 802 . 7 1 1 A 61 61 VAL N N 61 115.200 118.213 -3.013 1
1 803 . 7 1 1 A 62 62 ILE H H 62 8.530 8.518 0.012 1
1 804 . 7 1 1 A 62 62 ILE HA H 62 5.550 5.302 0.248 1
1 814 . 7 1 1 A 62 62 ILE CA C 62 57.800 58.933 -1.133 1
1 815 . 7 1 1 A 62 62 ILE CB C 62 41.700 42.319 -0.619 1
1 819 . 7 1 1 A 62 62 ILE N N 62 112.000 117.734 -5.734 1
1 820 . 7 1 1 A 64 64 LEU HA H 64 4.960 5.736 -0.776 1
1 830 . 7 1 1 A 64 64 LEU C C 64 173.100 175.699 -2.599 1
1 831 . 7 1 1 A 64 64 LEU CA C 64 53.500 52.718 0.782 1
1 832 . 7 1 1 A 64 64 LEU CB C 64 47.000 46.139 0.861 1
1 836 . 7 1 1 A 65 65 LYS H H 65 8.470 8.787 -0.317 1
1 837 . 7 1 1 A 65 65 LYS HA H 65 3.760 4.856 -1.096 1
1 846 . 7 1 1 A 65 65 LYS C C 65 175.100 176.341 -1.241 1
1 847 . 7 1 1 A 65 65 LYS CA C 65 55.700 56.010 -0.310 1
1 848 . 7 1 1 A 65 65 LYS CB C 65 33.600 33.519 0.081 1
1 852 . 7 1 1 A 65 65 LYS N N 65 126.700 121.918 4.782 1
1 853 . 7 1 1 A 66 66 VAL H H 66 7.840 9.169 -1.329 1
1 854 . 7 1 1 A 66 66 VAL HA H 66 4.410 4.849 -0.439 1
1 862 . 7 1 1 A 66 66 VAL C C 66 175.300 174.886 0.414 1
1 863 . 7 1 1 A 66 66 VAL CA C 66 58.300 58.639 -0.339 1
1 864 . 7 1 1 A 66 66 VAL CB C 66 36.400 35.632 0.768 1
1 867 . 7 1 1 A 66 66 VAL N N 66 116.000 119.387 -3.387 1
1 868 . 7 1 1 A 67 67 GLN H H 67 8.620 8.473 0.147 1
1 869 . 7 1 1 A 67 67 GLN HA H 67 4.350 4.408 -0.058 1
1 876 . 7 1 1 A 67 67 GLN CA C 67 54.900 54.147 0.753 1
1 877 . 7 1 1 A 67 67 GLN CB C 67 27.600 28.307 -0.707 1
1 880 . 7 1 1 A 67 67 GLN N N 67 123.000 121.044 1.956 1
1 882 . 7 1 1 A 68 68 PRO HA H 68 4.200 4.318 -0.118 1
1 889 . 7 1 1 A 68 68 PRO C C 68 179.400 178.288 1.112 1
1 890 . 7 1 1 A 68 68 PRO CA C 68 65.100 65.399 -0.299 1
1 891 . 7 1 1 A 68 68 PRO CB C 68 31.700 31.913 -0.213 1
1 894 . 7 1 1 A 69 69 GLU H H 69 9.620 8.344 1.276 1
1 895 . 7 1 1 A 69 69 GLU HA H 69 4.190 4.147 0.043 1
1 900 . 7 1 1 A 69 69 GLU C C 69 177.100 177.855 -0.755 1
1 901 . 7 1 1 A 69 69 GLU CA C 69 58.600 58.322 0.278 1
1 902 . 7 1 1 A 69 69 GLU CB C 69 28.100 29.514 -1.414 1
1 904 . 7 1 1 A 69 69 GLU N N 69 116.900 116.574 0.326 1
1 905 . 7 1 1 A 70 70 LEU H H 70 7.940 7.626 0.314 1
1 906 . 7 1 1 A 70 70 LEU HA H 70 4.460 4.371 0.089 1
1 916 . 7 1 1 A 70 70 LEU C C 70 177.600 177.874 -0.274 1
1 917 . 7 1 1 A 70 70 LEU CA C 70 54.500 54.807 -0.307 1
1 918 . 7 1 1 A 70 70 LEU CB C 70 42.800 41.982 0.818 1
1 922 . 7 1 1 A 70 70 LEU N N 70 118.700 118.424 0.276 1
1 923 . 7 1 1 A 71 71 VAL H H 71 7.080 7.372 -0.292 1
1 924 . 7 1 1 A 71 71 VAL HA H 71 3.210 3.744 -0.534 1
1 932 . 7 1 1 A 71 71 VAL C C 71 176.800 177.791 -0.991 1
1 933 . 7 1 1 A 71 71 VAL CA C 71 67.700 65.891 1.809 1
1 934 . 7 1 1 A 71 71 VAL CB C 71 32.000 31.319 0.681 1
1 937 . 7 1 1 A 71 71 VAL N N 71 120.300 120.337 -0.037 1
1 938 . 7 1 1 A 72 72 GLY H H 72 8.540 8.213 0.327 1
1 939 . 7 1 1 A 72 72 GLY HA2 H 72 3.770 3.822 -0.052 1
1 940 . 7 1 1 A 72 72 GLY HA3 H 72 3.630 3.823 -0.193 1
1 941 . 7 1 1 A 72 72 GLY C C 72 176.300 175.915 0.385 1
1 942 . 7 1 1 A 72 72 GLY CA C 72 47.000 47.419 -0.419 1
1 943 . 7 1 1 A 72 72 GLY N N 72 105.300 109.144 -3.844 1
1 944 . 7 1 1 A 73 73 SER H H 73 7.870 8.246 -0.376 1
1 945 . 7 1 1 A 73 73 SER HA H 73 4.170 4.216 -0.046 1
1 948 . 7 1 1 A 73 73 SER C C 73 178.000 177.167 0.833 1
1 949 . 7 1 1 A 73 73 SER CA C 73 60.600 61.349 -0.749 1
1 950 . 7 1 1 A 73 73 SER CB C 73 62.700 62.917 -0.217 1
1 951 . 7 1 1 A 73 73 SER N N 73 115.700 116.900 -1.200 1
1 952 . 7 1 1 A 74 74 LEU H H 74 8.340 8.125 0.215 1
1 953 . 7 1 1 A 74 74 LEU HA H 74 4.000 4.108 -0.108 1
1 963 . 7 1 1 A 74 74 LEU C C 74 178.400 178.257 0.143 1
1 964 . 7 1 1 A 74 74 LEU CA C 74 57.900 57.653 0.247 1
1 965 . 7 1 1 A 74 74 LEU CB C 74 41.700 41.835 -0.135 1
1 969 . 7 1 1 A 74 74 LEU N N 74 124.600 122.318 2.282 1
1 970 . 7 1 1 A 75 75 ARG H H 75 7.850 8.106 -0.256 1
1 971 . 7 1 1 A 75 75 ARG HA H 75 3.750 4.113 -0.363 1
1 979 . 7 1 1 A 75 75 ARG C C 75 176.500 178.198 -1.698 1
1 980 . 7 1 1 A 75 75 ARG CA C 75 57.800 58.390 -0.590 1
1 981 . 7 1 1 A 75 75 ARG CB C 75 29.500 30.123 -0.623 1
1 985 . 7 1 1 A 75 75 ARG N N 75 113.300 118.788 -5.488 1
1 987 . 7 1 1 A 76 76 LYS H H 76 7.100 7.849 -0.749 1
1 988 . 7 1 1 A 76 76 LYS HA H 76 4.210 4.128 0.082 1
1 997 . 7 1 1 A 76 76 LYS C C 76 177.000 177.125 -0.125 1
1 998 . 7 1 1 A 76 76 LYS CA C 76 56.500 58.573 -2.073 1
1 999 . 7 1 1 A 76 76 LYS CB C 76 32.700 32.303 0.397 1
1 1003 . 7 1 1 A 76 76 LYS N N 76 116.600 118.774 -2.174 1
1 1004 . 7 1 1 A 77 77 LYS H H 77 7.830 7.111 0.719 1
1 1005 . 7 1 1 A 77 77 LYS HA H 77 4.470 4.402 0.068 1
1 1014 . 7 1 1 A 77 77 LYS CA C 77 54.500 54.685 -0.185 1
1 1015 . 7 1 1 A 77 77 LYS CB C 77 31.800 31.667 0.133 1
1 1019 . 7 1 1 A 77 77 LYS N N 77 122.900 120.159 2.741 1
1 1020 . 7 1 1 A 78 78 PRO HA H 78 4.190 4.168 0.022 1
1 1027 . 7 1 1 A 78 78 PRO C C 78 176.600 177.220 -0.620 1
1 1028 . 7 1 1 A 78 78 PRO CA C 78 63.700 63.577 0.123 1
1 1029 . 7 1 1 A 78 78 PRO CB C 78 31.900 31.592 0.308 1
1 1032 . 7 1 1 A 79 79 GLY H H 79 8.290 8.709 -0.419 1
1 1033 . 7 1 1 A 79 79 GLY HA2 H 79 4.350 3.901 0.449 1
1 1034 . 7 1 1 A 79 79 GLY HA3 H 79 3.590 3.972 -0.382 1
1 1035 . 7 1 1 A 79 79 GLY C C 79 172.000 174.257 -2.257 1
1 1036 . 7 1 1 A 79 79 GLY CA C 79 45.500 45.334 0.166 1
1 1037 . 7 1 1 A 79 79 GLY N N 79 109.300 111.189 -1.889 1
1 1038 . 7 1 1 A 80 80 ILE H H 80 7.300 7.074 0.226 1
1 1039 . 7 1 1 A 80 80 ILE HA H 80 4.770 4.162 0.608 1
1 1049 . 7 1 1 A 80 80 ILE C C 80 174.200 175.130 -0.930 1
1 1050 . 7 1 1 A 80 80 ILE CA C 80 60.500 61.281 -0.781 1
1 1051 . 7 1 1 A 80 80 ILE CB C 80 37.000 37.775 -0.775 1
1 1055 . 7 1 1 A 80 80 ILE N N 80 119.200 121.353 -2.153 1
1 1056 . 7 1 1 A 81 81 TYR H H 81 9.490 8.381 1.109 1
1 1057 . 7 1 1 A 81 81 TYR HA H 81 4.840 4.955 -0.115 1
1 1064 . 7 1 1 A 81 81 TYR CA C 81 56.800 55.888 0.912 1
1 1065 . 7 1 1 A 81 81 TYR CB C 81 39.800 40.901 -1.101 1
1 1070 . 7 1 1 A 81 81 TYR N N 81 126.100 126.320 -0.220 1
1 1071 . 7 1 1 A 82 82 PRO HA H 82 4.610 4.578 0.032 1
1 1078 . 7 1 1 A 82 82 PRO CA C 82 62.300 62.913 -0.613 1
1 1079 . 7 1 1 A 82 82 PRO CB C 82 32.000 32.389 -0.389 1
1 1082 . 7 1 1 A 83 83 ALA HA H 83 4.140 4.489 -0.349 1
1 1086 . 7 1 1 A 84 84 TYR HA H 84 4.470 4.621 -0.151 1
1 1093 . 7 1 1 A 84 84 TYR CA C 84 57.500 59.357 -1.857 1
1 1094 . 7 1 1 A 84 84 TYR CB C 84 39.500 39.034 0.466 1
1 1099 . 7 1 1 A 87 87 ASN HA H 87 4.410 4.728 -0.318 1
1 1104 . 7 1 1 A 87 87 ASN C C 87 176.500 175.140 1.360 1
1 1105 . 7 1 1 A 87 87 ASN CA C 87 55.100 53.725 1.375 1
1 1106 . 7 1 1 A 87 87 ASN CB C 87 40.600 39.123 1.477 1
1 1109 . 7 1 1 A 88 88 LYS H H 88 8.710 8.567 0.143 1
1 1110 . 7 1 1 A 88 88 LYS HA H 88 4.320 5.004 -0.684 1
1 1119 . 7 1 1 A 88 88 LYS C C 88 177.600 175.773 1.827 1
1 1120 . 7 1 1 A 88 88 LYS CA C 88 58.100 55.816 2.284 1
1 1121 . 7 1 1 A 88 88 LYS CB C 88 33.000 34.258 -1.258 1
1 1125 . 7 1 1 A 88 88 LYS N N 88 123.800 123.296 0.504 1
1 1126 . 7 1 1 A 89 89 GLU H H 89 8.390 8.788 -0.398 1
1 1127 . 7 1 1 A 89 89 GLU HA H 89 4.270 4.463 -0.193 1
1 1132 . 7 1 1 A 89 89 GLU C C 89 176.500 176.871 -0.371 1
1 1133 . 7 1 1 A 89 89 GLU CA C 89 57.800 56.792 1.008 1
1 1134 . 7 1 1 A 89 89 GLU CB C 89 30.100 31.231 -1.131 1
1 1136 . 7 1 1 A 89 89 GLU N N 89 117.000 123.472 -6.472 1
1 1137 . 7 1 1 A 90 90 HIS H H 90 7.600 7.854 -0.254 1
1 1138 . 7 1 1 A 90 90 HIS HA H 90 4.580 4.400 0.180 1
1 1142 . 7 1 1 A 90 90 HIS C C 90 170.800 174.072 -3.272 1
1 1143 . 7 1 1 A 90 90 HIS CA C 90 55.500 56.263 -0.763 1
1 1144 . 7 1 1 A 90 90 HIS CB C 90 32.200 30.908 1.292 1
1 1145 . 7 1 1 A 90 90 HIS N N 90 111.500 116.633 -5.133 1
1 1146 . 7 1 1 A 91 91 TRP H H 91 7.650 7.790 -0.140 1
1 1147 . 7 1 1 A 91 91 TRP HA H 91 5.610 5.467 0.143 1
1 1156 . 7 1 1 A 91 91 TRP C C 91 174.600 175.601 -1.001 1
1 1157 . 7 1 1 A 91 91 TRP CA C 91 55.500 55.384 0.116 1
1 1158 . 7 1 1 A 91 91 TRP CB C 91 31.700 31.945 -0.245 1
1 1163 . 7 1 1 A 91 91 TRP N N 91 117.400 117.886 -0.486 1
1 1165 . 7 1 1 A 92 92 ILE H H 92 9.100 8.802 0.298 1
1 1166 . 7 1 1 A 92 92 ILE HA H 92 4.630 4.915 -0.285 1
1 1176 . 7 1 1 A 92 92 ILE C C 92 174.500 175.339 -0.839 1
1 1177 . 7 1 1 A 92 92 ILE CA C 92 59.800 60.077 -0.277 1
1 1178 . 7 1 1 A 92 92 ILE CB C 92 42.500 42.404 0.096 1
1 1182 . 7 1 1 A 92 92 ILE N N 92 111.700 123.703 -12.003 1
1 1183 . 7 1 1 A 93 93 THR H H 93 8.570 8.367 0.203 1
1 1184 . 7 1 1 A 93 93 THR HA H 93 4.250 5.253 -1.003 1
1 1190 . 7 1 1 A 93 93 THR CA C 93 61.800 60.836 0.964 1
1 1191 . 7 1 1 A 93 93 THR CB C 93 70.200 70.516 -0.316 1
1 1193 . 7 1 1 A 93 93 THR N N 93 117.600 118.025 -0.425 1
1 1194 . 7 1 1 A 94 94 VAL HA H 94 4.680 4.825 -0.145 1
1 1202 . 7 1 1 A 94 94 VAL C C 94 175.400 174.828 0.572 1
1 1203 . 7 1 1 A 94 94 VAL CA C 94 60.700 60.544 0.156 1
1 1204 . 7 1 1 A 94 94 VAL CB C 94 34.100 34.880 -0.780 1
1 1207 . 7 1 1 A 95 95 LEU H H 95 8.080 8.650 -0.570 1
1 1208 . 7 1 1 A 95 95 LEU HA H 95 4.330 4.612 -0.282 1
1 1218 . 7 1 1 A 95 95 LEU C C 95 176.400 176.109 0.291 1
1 1219 . 7 1 1 A 95 95 LEU CA C 95 55.000 54.595 0.405 1
1 1220 . 7 1 1 A 95 95 LEU CB C 95 44.300 42.123 2.177 1
1 1224 . 7 1 1 A 95 95 LEU N N 95 127.500 127.749 -0.249 1
1 1225 . 7 1 1 A 96 96 LEU H H 96 8.050 8.552 -0.502 1
1 1226 . 7 1 1 A 96 96 LEU HA H 96 4.150 4.039 0.111 1
1 1236 . 7 1 1 A 96 96 LEU C C 96 177.400 178.678 -1.278 1
1 1237 . 7 1 1 A 96 96 LEU CA C 96 56.500 58.096 -1.596 1
1 1238 . 7 1 1 A 96 96 LEU CB C 96 40.500 41.513 -1.013 1
1 1242 . 7 1 1 A 96 96 LEU N N 96 128.100 127.104 0.996 1
1 1243 . 7 1 1 A 97 97 ASN H H 97 8.690 8.010 0.680 1
1 1244 . 7 1 1 A 97 97 ASN HA H 97 4.740 4.723 0.017 1
1 1249 . 7 1 1 A 97 97 ASN C C 97 174.900 176.221 -1.321 1
1 1250 . 7 1 1 A 97 97 ASN CA C 97 53.000 54.765 -1.765 1
1 1251 . 7 1 1 A 97 97 ASN CB C 97 37.700 38.700 -1.000 1
1 1252 . 7 1 1 A 97 97 ASN N N 97 117.200 114.779 2.421 1
1 1254 . 7 1 1 A 98 98 GLY H H 98 7.820 8.004 -0.184 1
1 1255 . 7 1 1 A 98 98 GLY HA2 H 98 4.470 4.108 0.362 1
1 1256 . 7 1 1 A 98 98 GLY HA3 H 98 3.740 4.114 -0.374 1
1 1257 . 7 1 1 A 98 98 GLY C C 98 174.900 174.654 0.246 1
1 1258 . 7 1 1 A 98 98 GLY CA C 98 44.900 44.562 0.338 1
1 1259 . 7 1 1 A 98 98 GLY N N 98 108.600 107.959 0.641 1
1 1260 . 7 1 1 A 99 99 PRO HA H 99 4.380 4.514 -0.134 1
1 1267 . 7 1 1 A 99 99 PRO C C 99 177.400 176.544 0.856 1
1 1268 . 7 1 1 A 99 99 PRO CA C 99 63.900 64.031 -0.131 1
1 1269 . 7 1 1 A 99 99 PRO CB C 99 32.400 31.862 0.538 1
1 1272 . 7 1 1 A 100 100 LEU H H 100 7.750 7.635 0.115 1
1 1273 . 7 1 1 A 100 100 LEU HA H 100 4.280 4.483 -0.203 1
1 1283 . 7 1 1 A 100 100 LEU C C 100 177.400 176.813 0.587 1
1 1284 . 7 1 1 A 100 100 LEU CA C 100 55.800 54.055 1.745 1
1 1285 . 7 1 1 A 100 100 LEU CB C 100 42.600 42.839 -0.239 1
1 1289 . 7 1 1 A 100 100 LEU N N 100 120.300 115.596 4.704 1
1 1290 . 7 1 1 A 101 101 GLY H H 101 8.620 8.454 0.166 1
1 1291 . 7 1 1 A 101 101 GLY HA2 H 101 4.110 4.096 0.014 1
1 1292 . 7 1 1 A 101 101 GLY HA3 H 101 3.890 4.102 -0.212 1
1 1293 . 7 1 1 A 101 101 GLY C C 101 173.600 174.768 -1.168 1
1 1294 . 7 1 1 A 101 101 GLY CA C 101 44.300 44.239 0.061 1
1 1295 . 7 1 1 A 101 101 GLY N N 101 110.600 107.877 2.723 1
1 1296 . 7 1 1 A 102 102 ALA H H 102 8.310 8.840 -0.530 1
1 1297 . 7 1 1 A 102 102 ALA HA H 102 3.520 3.870 -0.350 1
1 1301 . 7 1 1 A 102 102 ALA C C 102 178.900 179.630 -0.730 1
1 1302 . 7 1 1 A 102 102 ALA CA C 102 55.400 54.543 0.857 1
1 1303 . 7 1 1 A 102 102 ALA CB C 102 18.600 18.027 0.573 1
1 1304 . 7 1 1 A 102 102 ALA N N 102 122.000 122.814 -0.814 1
1 1305 . 7 1 1 A 103 103 LYS H H 103 8.360 8.011 0.349 1
1 1306 . 7 1 1 A 103 103 LYS HA H 103 3.730 3.794 -0.064 1
1 1315 . 7 1 1 A 103 103 LYS C C 103 179.400 179.779 -0.379 1
1 1316 . 7 1 1 A 103 103 LYS CA C 103 60.000 59.568 0.432 1
1 1317 . 7 1 1 A 103 103 LYS CB C 103 31.900 32.089 -0.189 1
1 1321 . 7 1 1 A 103 103 LYS N N 103 116.500 117.789 -1.289 1
1 1322 . 7 1 1 A 104 104 GLU H H 104 7.890 7.933 -0.043 1
1 1323 . 7 1 1 A 104 104 GLU HA H 104 4.080 4.114 -0.034 1
1 1328 . 7 1 1 A 104 104 GLU C C 104 179.300 179.462 -0.162 1
1 1329 . 7 1 1 A 104 104 GLU CA C 104 59.500 59.287 0.213 1
1 1330 . 7 1 1 A 104 104 GLU CB C 104 29.100 29.516 -0.416 1
1 1332 . 7 1 1 A 104 104 GLU N N 104 120.000 120.169 -0.169 1
1 1333 . 7 1 1 A 105 105 ILE H H 105 8.170 7.451 0.719 1
1 1334 . 7 1 1 A 105 105 ILE HA H 105 3.520 3.727 -0.207 1
1 1344 . 7 1 1 A 105 105 ILE C C 105 178.100 178.102 -0.002 1
1 1345 . 7 1 1 A 105 105 ILE CA C 105 66.700 65.433 1.267 1
1 1346 . 7 1 1 A 105 105 ILE CB C 105 37.700 37.848 -0.148 1
1 1350 . 7 1 1 A 105 105 ILE N N 105 119.500 120.881 -1.381 1
1 1351 . 7 1 1 A 106 106 HIS H H 106 8.930 8.091 0.839 1
1 1352 . 7 1 1 A 106 106 HIS HA H 106 4.230 4.186 0.044 1
1 1356 . 7 1 1 A 106 106 HIS C C 106 178.000 177.830 0.170 1
1 1357 . 7 1 1 A 106 106 HIS CA C 106 57.600 59.974 -2.374 1
1 1358 . 7 1 1 A 106 106 HIS CB C 106 28.400 29.497 -1.097 1
1 1360 . 7 1 1 A 106 106 HIS N N 106 116.700 120.192 -3.492 1
1 1361 . 7 1 1 A 107 107 SER H H 107 8.060 8.335 -0.275 1
1 1362 . 7 1 1 A 107 107 SER HA H 107 4.310 4.207 0.103 1
1 1365 . 7 1 1 A 107 107 SER C C 107 175.900 177.758 -1.858 1
1 1366 . 7 1 1 A 107 107 SER CA C 107 62.200 61.774 0.426 1
1 1367 . 7 1 1 A 107 107 SER CB C 107 62.500 62.445 0.055 1
1 1368 . 7 1 1 A 107 107 SER N N 107 117.000 116.155 0.845 1
1 1369 . 7 1 1 A 108 108 LEU H H 108 7.950 8.359 -0.409 1
1 1370 . 7 1 1 A 108 108 LEU HA H 108 4.180 4.041 0.139 1
1 1380 . 7 1 1 A 108 108 LEU C C 108 180.600 179.037 1.563 1
1 1381 . 7 1 1 A 108 108 LEU CA C 108 57.900 58.031 -0.131 1
1 1382 . 7 1 1 A 108 108 LEU CB C 108 42.500 41.888 0.612 1
1 1386 . 7 1 1 A 108 108 LEU N N 108 121.800 122.610 -0.810 1
1 1387 . 7 1 1 A 109 109 ILE H H 109 8.730 8.351 0.379 1
1 1388 . 7 1 1 A 109 109 ILE HA H 109 3.830 3.623 0.207 1
1 1398 . 7 1 1 A 109 109 ILE C C 109 176.800 178.145 -1.345 1
1 1399 . 7 1 1 A 109 109 ILE CA C 109 65.800 65.628 0.172 1
1 1400 . 7 1 1 A 109 109 ILE CB C 109 38.600 37.605 0.995 1
1 1404 . 7 1 1 A 109 109 ILE N N 109 120.200 119.649 0.551 1
1 1405 . 7 1 1 A 110 110 GLU H H 110 7.960 8.830 -0.870 1
1 1406 . 7 1 1 A 110 110 GLU HA H 110 4.280 4.000 0.280 1
1 1411 . 7 1 1 A 110 110 GLU C C 110 178.500 178.462 0.038 1
1 1412 . 7 1 1 A 110 110 GLU CA C 110 58.800 60.046 -1.246 1
1 1413 . 7 1 1 A 110 110 GLU CB C 110 28.200 29.422 -1.222 1
1 1415 . 7 1 1 A 110 110 GLU N N 110 120.800 121.337 -0.537 1
1 1416 . 7 1 1 A 111 111 ASP H H 111 8.290 7.955 0.335 1
1 1417 . 7 1 1 A 111 111 ASP HA H 111 4.470 4.472 -0.002 1
1 1420 . 7 1 1 A 111 111 ASP C C 111 178.200 178.645 -0.445 1
1 1421 . 7 1 1 A 111 111 ASP CA C 111 57.100 57.292 -0.192 1
1 1422 . 7 1 1 A 111 111 ASP CB C 111 39.300 40.705 -1.405 1
1 1423 . 7 1 1 A 111 111 ASP N N 111 119.200 120.632 -1.432 1
1 1424 . 7 1 1 A 112 112 SER H H 112 7.800 7.982 -0.182 1
1 1425 . 7 1 1 A 112 112 SER HA H 112 4.200 4.354 -0.154 1
1 1428 . 7 1 1 A 112 112 SER C C 112 178.600 175.968 2.632 1
1 1429 . 7 1 1 A 112 112 SER CA C 112 61.200 62.423 -1.223 1
1 1430 . 7 1 1 A 112 112 SER CB C 112 64.200 63.616 0.584 1
1 1431 . 7 1 1 A 112 112 SER N N 112 114.700 116.112 -1.412 1
1 1432 . 7 1 1 A 113 113 PHE H H 113 9.160 8.466 0.694 1
1 1433 . 7 1 1 A 113 113 PHE HA H 113 3.210 4.199 -0.989 1
1 1436 . 7 1 1 A 113 113 PHE C C 113 178.100 177.795 0.305 1
1 1437 . 7 1 1 A 113 113 PHE CA C 113 62.900 61.738 1.162 1
1 1438 . 7 1 1 A 113 113 PHE CB C 113 39.100 39.456 -0.356 1
1 1439 . 7 1 1 A 113 113 PHE N N 113 121.400 122.902 -1.502 1
1 1440 . 7 1 1 A 114 114 GLN H H 114 8.870 8.123 0.747 1
1 1441 . 7 1 1 A 114 114 GLN HA H 114 4.000 3.838 0.162 1
1 1448 . 7 1 1 A 114 114 GLN C C 114 179.700 178.853 0.847 1
1 1449 . 7 1 1 A 114 114 GLN CA C 114 58.300 58.874 -0.574 1
1 1450 . 7 1 1 A 114 114 GLN CB C 114 27.600 28.157 -0.557 1
1 1453 . 7 1 1 A 114 114 GLN N N 114 116.800 117.895 -1.095 1
1 1455 . 7 1 1 A 115 115 LEU H H 115 8.570 7.591 0.979 1
1 1456 . 7 1 1 A 115 115 LEU HA H 115 4.090 3.951 0.139 1
1 1466 . 7 1 1 A 115 115 LEU C C 115 178.600 177.963 0.637 1
1 1467 . 7 1 1 A 115 115 LEU CA C 115 57.300 57.773 -0.473 1
1 1468 . 7 1 1 A 115 115 LEU CB C 115 43.200 41.974 1.226 1
1 1472 . 7 1 1 A 115 115 LEU N N 115 119.800 120.060 -0.260 1
1 1473 . 7 1 1 A 116 116 THR H H 116 7.240 7.260 -0.020 1
1 1474 . 7 1 1 A 116 116 THR HA H 116 4.270 4.294 -0.024 1
1 1480 . 7 1 1 A 116 116 THR C C 116 173.200 174.386 -1.186 1
1 1481 . 7 1 1 A 116 116 THR CA C 116 60.700 61.785 -1.085 1
1 1482 . 7 1 1 A 116 116 THR CB C 116 70.800 69.193 1.607 1
1 1484 . 7 1 1 A 116 116 THR N N 116 104.900 106.529 -1.629 1
1 1485 . 7 1 1 A 117 117 ARG H H 117 6.840 7.031 -0.191 1
1 1486 . 7 1 1 A 117 117 ARG HA H 117 3.060 3.623 -0.563 1
1 1494 . 7 1 1 A 117 117 ARG C C 117 175.200 175.554 -0.354 1
1 1495 . 7 1 1 A 117 117 ARG CA C 117 55.900 55.859 0.041 1
1 1496 . 7 1 1 A 117 117 ARG CB C 117 31.100 30.392 0.708 1
1 1500 . 7 1 1 A 117 117 ARG N N 117 120.900 122.958 -2.058 1
1 1502 . 7 1 1 A 118 118 LEU H H 118 8.380 8.053 0.327 1
1 1503 . 7 1 1 A 118 118 LEU HA H 118 4.100 4.363 -0.263 1
1 1513 . 7 1 1 A 118 118 LEU C C 118 176.500 177.536 -1.036 1
1 1514 . 7 1 1 A 118 118 LEU CA C 118 55.300 53.985 1.315 1
1 1515 . 7 1 1 A 118 118 LEU CB C 118 42.400 42.392 0.008 1
1 1519 . 7 1 1 A 118 118 LEU N N 118 122.600 122.250 0.350 1
1 1520 . 7 1 1 A 119 119 GLU H H 119 8.330 8.795 -0.465 1
1 1521 . 7 1 1 A 119 119 GLU HA H 119 4.160 4.497 -0.337 1
1 1526 . 7 1 1 A 119 119 GLU C C 119 175.800 176.589 -0.789 1
1 1527 . 7 1 1 A 119 119 GLU CA C 119 56.000 55.323 0.677 1
1 1528 . 7 1 1 A 119 119 GLU CB C 119 30.300 30.648 -0.348 1
1 1530 . 7 1 1 A 119 119 GLU N N 119 124.000 123.521 0.479 1
1 1531 . 7 1 1 A 120 120 HIS H H 120 8.520 8.451 0.069 1
1 1532 . 7 1 1 A 120 120 HIS HA H 120 4.620 4.105 0.515 1
1 1535 . 7 1 1 A 120 120 HIS C C 120 174.000 174.260 -0.260 1
1 1536 . 7 1 1 A 120 120 HIS CA C 120 55.300 58.621 -3.321 1
1 1537 . 7 1 1 A 120 120 HIS CB C 120 29.300 28.213 1.087 1
1 1538 . 7 1 1 A 120 120 HIS N N 120 120.100 116.563 3.537 1
1 1539 . 7 1 1 A 121 121 HIS H H 121 8.580 8.333 0.247 1
1 1540 . 7 1 1 A 121 121 HIS HA H 121 4.620 4.291 0.329 1
1 1543 . 7 1 1 A 121 121 HIS C C 121 173.500 175.064 -1.564 1
1 1544 . 7 1 1 A 121 121 HIS CA C 121 55.300 56.028 -0.728 1
1 1545 . 7 1 1 A 121 121 HIS CB C 121 29.200 29.414 -0.214 1
1 1546 . 7 1 1 A 121 121 HIS N N 121 120.800 118.838 1.962 1
1 1547 . 7 1 1 A 122 122 HIS H H 122 8.400 8.886 -0.486 1
1 1548 . 7 1 1 A 122 122 HIS HA H 122 4.620 4.262 0.358 1
1 1551 . 7 1 1 A 122 122 HIS CA C 122 55.300 57.220 -1.920 1
1 1552 . 7 1 1 A 122 122 HIS CB C 122 29.200 30.474 -1.274 1
1 1553 . 7 1 1 A 122 122 HIS N N 122 125.700 124.892 0.808 1
1 1554 . 7 1 1 A 123 123 HIS H H 123 8.690 7.819 0.871 1
1 1555 . 7 1 1 A 123 123 HIS HA H 123 4.640 4.038 0.602 1
1 1558 . 7 1 1 A 123 123 HIS C C 123 174.100 174.321 -0.221 1
1 1559 . 7 1 1 A 123 123 HIS CA C 123 55.300 56.147 -0.847 1
1 1560 . 7 1 1 A 123 123 HIS CB C 123 29.300 27.940 1.360 1
1 1561 . 7 1 1 A 123 123 HIS N N 123 120.200 116.620 3.580 1
1 1562 . 7 1 1 A 124 124 HIS H H 124 8.710 8.083 0.627 1
1 1563 . 7 1 1 A 124 124 HIS HA H 124 4.640 4.481 0.159 1
1 1566 . 7 1 1 A 124 124 HIS C C 124 174.200 176.162 -1.962 1
1 1567 . 7 1 1 A 124 124 HIS CA C 124 55.300 56.265 -0.965 1
1 1568 . 7 1 1 A 124 124 HIS CB C 124 29.300 30.029 -0.729 1
1 14 . 8 1 1 A 2 2 ASN H H 2 8.500 9.583 -1.083 1
1 15 . 8 1 1 A 2 2 ASN HA H 2 4.990 5.094 -0.104 1
1 20 . 8 1 1 A 2 2 ASN C C 2 175.600 176.984 -1.384 1
1 21 . 8 1 1 A 2 2 ASN CA C 2 51.000 52.217 -1.217 1
1 22 . 8 1 1 A 2 2 ASN CB C 2 40.000 40.130 -0.130 1
1 24 . 8 1 1 A 2 2 ASN N N 2 122.000 122.593 -0.593 1
1 26 . 8 1 1 A 3 3 ARG H H 3 8.950 9.088 -0.138 1
1 27 . 8 1 1 A 3 3 ARG HA H 3 3.850 4.004 -0.154 1
1 35 . 8 1 1 A 3 3 ARG C C 3 175.600 177.699 -2.099 1
1 36 . 8 1 1 A 3 3 ARG CA C 3 60.400 59.705 0.695 1
1 37 . 8 1 1 A 3 3 ARG CB C 3 30.900 29.960 0.940 1
1 41 . 8 1 1 A 3 3 ARG N N 3 117.600 123.566 -5.966 1
1 43 . 8 1 1 A 4 4 GLN H H 4 8.370 8.156 0.214 1
1 44 . 8 1 1 A 4 4 GLN HA H 4 3.900 4.112 -0.212 1
1 51 . 8 1 1 A 4 4 GLN C C 4 178.300 178.345 -0.045 1
1 52 . 8 1 1 A 4 4 GLN CA C 4 58.900 59.293 -0.393 1
1 53 . 8 1 1 A 4 4 GLN CB C 4 28.200 28.233 -0.033 1
1 56 . 8 1 1 A 4 4 GLN N N 4 120.700 118.723 1.977 1
1 58 . 8 1 1 A 5 5 GLN H H 5 8.670 8.183 0.487 1
1 59 . 8 1 1 A 5 5 GLN HA H 5 4.190 4.099 0.091 1
1 66 . 8 1 1 A 5 5 GLN C C 5 180.000 178.617 1.383 1
1 67 . 8 1 1 A 5 5 GLN CA C 5 58.500 59.035 -0.535 1
1 68 . 8 1 1 A 5 5 GLN CB C 5 28.900 28.250 0.650 1
1 71 . 8 1 1 A 5 5 GLN N N 5 117.700 118.602 -0.902 1
1 73 . 8 1 1 A 6 6 PHE H H 6 8.270 7.880 0.390 1
1 74 . 8 1 1 A 6 6 PHE HA H 6 4.130 4.202 -0.072 1
1 82 . 8 1 1 A 6 6 PHE C C 6 175.500 177.422 -1.922 1
1 83 . 8 1 1 A 6 6 PHE CA C 6 62.700 61.244 1.456 1
1 84 . 8 1 1 A 6 6 PHE CB C 6 39.000 39.289 -0.289 1
1 90 . 8 1 1 A 6 6 PHE N N 6 121.200 121.448 -0.248 1
1 91 . 8 1 1 A 7 7 ILE H H 7 8.390 8.075 0.315 1
1 92 . 8 1 1 A 7 7 ILE HA H 7 3.280 3.568 -0.288 1
1 102 . 8 1 1 A 7 7 ILE C C 7 178.900 177.835 1.065 1
1 103 . 8 1 1 A 7 7 ILE CA C 7 66.400 65.521 0.879 1
1 104 . 8 1 1 A 7 7 ILE CB C 7 38.500 37.924 0.576 1
1 108 . 8 1 1 A 7 7 ILE N N 7 121.000 120.840 0.160 1
1 109 . 8 1 1 A 8 8 ASP H H 8 8.710 8.022 0.688 1
1 110 . 8 1 1 A 8 8 ASP HA H 8 4.370 4.276 0.094 1
1 113 . 8 1 1 A 8 8 ASP C C 8 178.000 177.726 0.274 1
1 114 . 8 1 1 A 8 8 ASP CA C 8 57.300 57.254 0.046 1
1 115 . 8 1 1 A 8 8 ASP CB C 8 40.600 40.968 -0.368 1
1 116 . 8 1 1 A 8 8 ASP N N 8 119.800 120.650 -0.850 1
1 117 . 8 1 1 A 9 9 TYR H H 9 8.060 8.515 -0.455 1
1 118 . 8 1 1 A 9 9 TYR HA H 9 4.000 4.167 -0.167 1
1 125 . 8 1 1 A 9 9 TYR C C 9 176.500 177.581 -1.081 1
1 126 . 8 1 1 A 9 9 TYR CA C 9 61.700 61.542 0.158 1
1 127 . 8 1 1 A 9 9 TYR CB C 9 38.600 38.565 0.035 1
1 132 . 8 1 1 A 9 9 TYR N N 9 121.600 120.925 0.675 1
1 133 . 8 1 1 A 10 10 ALA H H 10 8.340 8.300 0.040 1
1 134 . 8 1 1 A 10 10 ALA HA H 10 3.730 4.042 -0.312 1
1 138 . 8 1 1 A 10 10 ALA C C 10 180.200 179.471 0.729 1
1 139 . 8 1 1 A 10 10 ALA CA C 10 55.200 54.836 0.364 1
1 140 . 8 1 1 A 10 10 ALA CB C 10 17.300 18.148 -0.848 1
1 141 . 8 1 1 A 10 10 ALA N N 10 120.700 121.406 -0.706 1
1 142 . 8 1 1 A 11 11 GLN H H 11 7.830 8.302 -0.472 1
1 143 . 8 1 1 A 11 11 GLN HA H 11 4.130 3.913 0.217 1
1 150 . 8 1 1 A 11 11 GLN C C 11 178.300 178.222 0.078 1
1 151 . 8 1 1 A 11 11 GLN CA C 11 59.200 58.980 0.220 1
1 152 . 8 1 1 A 11 11 GLN CB C 11 28.600 28.143 0.457 1
1 155 . 8 1 1 A 11 11 GLN N N 11 116.600 117.905 -1.305 1
1 157 . 8 1 1 A 12 12 LYS H H 12 8.040 8.074 -0.034 1
1 158 . 8 1 1 A 12 12 LYS HA H 12 3.890 3.922 -0.032 1
1 167 . 8 1 1 A 12 12 LYS C C 12 178.200 178.092 0.108 1
1 168 . 8 1 1 A 12 12 LYS CA C 12 58.800 59.220 -0.420 1
1 169 . 8 1 1 A 12 12 LYS CB C 12 32.700 31.959 0.741 1
1 173 . 8 1 1 A 12 12 LYS N N 12 119.300 120.163 -0.863 1
1 174 . 8 1 1 A 13 13 LYS H H 13 8.440 7.275 1.165 1
1 175 . 8 1 1 A 13 13 LYS HA H 13 3.610 3.628 -0.018 1
1 184 . 8 1 1 A 13 13 LYS C C 13 177.600 177.015 0.585 1
1 185 . 8 1 1 A 13 13 LYS CA C 13 56.900 58.233 -1.333 1
1 186 . 8 1 1 A 13 13 LYS CB C 13 32.000 32.602 -0.602 1
1 190 . 8 1 1 A 13 13 LYS N N 13 117.700 117.994 -0.294 1
1 191 . 8 1 1 A 14 14 TYR H H 14 6.780 7.959 -1.179 1
1 192 . 8 1 1 A 14 14 TYR HA H 14 4.530 4.435 0.095 1
1 199 . 8 1 1 A 14 14 TYR C C 14 175.800 174.579 1.221 1
1 200 . 8 1 1 A 14 14 TYR CA C 14 56.600 57.698 -1.098 1
1 201 . 8 1 1 A 14 14 TYR CB C 14 39.500 39.543 -0.043 1
1 206 . 8 1 1 A 14 14 TYR N N 14 113.100 113.501 -0.401 1
1 207 . 8 1 1 A 15 15 ASP H H 15 7.620 8.547 -0.927 1
1 208 . 8 1 1 A 15 15 ASP HA H 15 4.810 4.218 0.592 1
1 211 . 8 1 1 A 15 15 ASP C C 15 175.200 175.504 -0.304 1
1 212 . 8 1 1 A 15 15 ASP CA C 15 55.100 55.042 0.058 1
1 213 . 8 1 1 A 15 15 ASP CB C 15 39.300 39.510 -0.210 1
1 214 . 8 1 1 A 15 15 ASP N N 15 119.600 120.140 -0.540 1
1 215 . 8 1 1 A 16 16 THR H H 16 7.560 7.685 -0.125 1
1 216 . 8 1 1 A 16 16 THR HA H 16 4.650 4.839 -0.189 1
1 222 . 8 1 1 A 16 16 THR C C 16 173.200 173.365 -0.165 1
1 223 . 8 1 1 A 16 16 THR CA C 16 61.500 60.886 0.614 1
1 224 . 8 1 1 A 16 16 THR CB C 16 71.000 71.572 -0.572 1
1 226 . 8 1 1 A 16 16 THR N N 16 113.100 108.724 4.376 1
1 227 . 8 1 1 A 17 17 LYS H H 17 8.830 8.571 0.259 1
1 228 . 8 1 1 A 17 17 LYS HA H 17 4.690 4.797 -0.107 1
1 235 . 8 1 1 A 17 17 LYS C C 17 173.200 174.354 -1.154 1
1 236 . 8 1 1 A 17 17 LYS CA C 17 53.600 53.887 -0.287 1
1 237 . 8 1 1 A 17 17 LYS CB C 17 32.800 31.842 0.958 1
1 241 . 8 1 1 A 17 17 LYS N N 17 127.200 127.529 -0.329 1
1 242 . 8 1 1 A 18 18 PRO HA H 18 3.540 4.271 -0.731 1
1 249 . 8 1 1 A 18 18 PRO C C 18 175.800 175.597 0.203 1
1 250 . 8 1 1 A 18 18 PRO CA C 18 62.000 63.016 -1.016 1
1 251 . 8 1 1 A 18 18 PRO CB C 18 32.200 32.214 -0.014 1
1 254 . 8 1 1 A 19 19 ASP H H 19 8.310 7.990 0.320 1
1 255 . 8 1 1 A 19 19 ASP HA H 19 4.740 4.899 -0.159 1
1 258 . 8 1 1 A 19 19 ASP C C 19 175.100 174.180 0.920 1
1 259 . 8 1 1 A 19 19 ASP CA C 19 52.300 52.305 -0.005 1
1 260 . 8 1 1 A 19 19 ASP CB C 19 43.700 44.478 -0.778 1
1 261 . 8 1 1 A 19 19 ASP N N 19 120.300 120.850 -0.550 1
1 262 . 8 1 1 A 20 20 HIS H H 20 8.620 8.776 -0.156 1
1 263 . 8 1 1 A 20 20 HIS HA H 20 5.170 5.046 0.124 1
1 266 . 8 1 1 A 20 20 HIS CA C 20 53.200 52.389 0.811 1
1 267 . 8 1 1 A 20 20 HIS CB C 20 28.800 29.736 -0.936 1
1 268 . 8 1 1 A 20 20 HIS N N 20 118.800 118.000 0.800 1
1 269 . 8 1 1 A 21 21 PRO HA H 21 4.190 4.200 -0.010 1
1 276 . 8 1 1 A 21 21 PRO C C 21 176.600 176.273 0.327 1
1 277 . 8 1 1 A 21 21 PRO CA C 21 63.900 64.882 -0.982 1
1 278 . 8 1 1 A 21 21 PRO CB C 21 32.100 31.180 0.920 1
1 281 . 8 1 1 A 22 22 TRP H H 22 8.340 7.448 0.892 1
1 282 . 8 1 1 A 22 22 TRP HA H 22 5.000 4.787 0.213 1
1 291 . 8 1 1 A 22 22 TRP C C 22 174.200 177.402 -3.202 1
1 292 . 8 1 1 A 22 22 TRP CA C 22 57.100 56.999 0.101 1
1 293 . 8 1 1 A 22 22 TRP CB C 22 29.400 29.625 -0.225 1
1 299 . 8 1 1 A 22 22 TRP N N 22 118.700 118.857 -0.157 1
1 301 . 8 1 1 A 23 23 GLU H H 23 9.030 8.727 0.303 1
1 302 . 8 1 1 A 23 23 GLU HA H 23 4.000 4.001 -0.001 1
1 307 . 8 1 1 A 23 23 GLU C C 23 177.900 177.946 -0.046 1
1 308 . 8 1 1 A 23 23 GLU CA C 23 59.100 59.080 0.020 1
1 309 . 8 1 1 A 23 23 GLU CB C 23 29.200 29.198 0.002 1
1 311 . 8 1 1 A 23 23 GLU N N 23 128.400 124.905 3.495 1
1 312 . 8 1 1 A 24 24 LYS H H 24 8.500 7.892 0.608 1
1 313 . 8 1 1 A 24 24 LYS HA H 24 3.890 3.964 -0.074 1
1 322 . 8 1 1 A 24 24 LYS C C 24 175.300 176.114 -0.814 1
1 323 . 8 1 1 A 24 24 LYS CA C 24 57.100 58.122 -1.022 1
1 324 . 8 1 1 A 24 24 LYS CB C 24 32.300 31.681 0.619 1
1 328 . 8 1 1 A 24 24 LYS N N 24 115.100 117.715 -2.615 1
1 329 . 8 1 1 A 25 25 PHE H H 25 7.010 7.610 -0.600 1
1 330 . 8 1 1 A 25 25 PHE HA H 25 4.740 5.017 -0.277 1
1 338 . 8 1 1 A 25 25 PHE C C 25 175.300 174.461 0.839 1
1 339 . 8 1 1 A 25 25 PHE CA C 25 54.300 54.627 -0.327 1
1 340 . 8 1 1 A 25 25 PHE CB C 25 39.200 38.599 0.601 1
1 346 . 8 1 1 A 25 25 PHE N N 25 115.100 117.368 -2.268 1
1 347 . 8 1 1 A 26 26 PRO HA H 26 4.380 4.772 -0.392 1
1 354 . 8 1 1 A 26 26 PRO C C 26 176.900 177.611 -0.711 1
1 355 . 8 1 1 A 26 26 PRO CA C 26 64.900 64.966 -0.066 1
1 356 . 8 1 1 A 26 26 PRO CB C 26 32.200 31.863 0.337 1
1 359 . 8 1 1 A 27 27 ASP H H 27 8.860 8.570 0.290 1
1 360 . 8 1 1 A 27 27 ASP HA H 27 4.810 4.763 0.047 1
1 363 . 8 1 1 A 27 27 ASP C C 27 177.200 175.868 1.332 1
1 364 . 8 1 1 A 27 27 ASP CA C 27 53.900 54.363 -0.463 1
1 365 . 8 1 1 A 27 27 ASP CB C 27 39.900 40.191 -0.291 1
1 366 . 8 1 1 A 27 27 ASP N N 27 114.400 116.293 -1.893 1
1 367 . 8 1 1 A 28 28 TYR H H 28 8.300 7.829 0.471 1
1 368 . 8 1 1 A 28 28 TYR HA H 28 5.500 4.953 0.547 1
1 375 . 8 1 1 A 28 28 TYR C C 28 175.900 176.072 -0.172 1
1 376 . 8 1 1 A 28 28 TYR CA C 28 55.600 57.322 -1.722 1
1 377 . 8 1 1 A 28 28 TYR CB C 28 36.400 40.390 -3.990 1
1 382 . 8 1 1 A 28 28 TYR N N 28 123.700 120.637 3.063 1
1 383 . 8 1 1 A 29 29 ALA H H 29 9.240 8.585 0.655 1
1 384 . 8 1 1 A 29 29 ALA HA H 29 5.030 4.918 0.112 1
1 388 . 8 1 1 A 29 29 ALA C C 29 174.600 175.101 -0.501 1
1 389 . 8 1 1 A 29 29 ALA CA C 29 49.700 50.359 -0.659 1
1 390 . 8 1 1 A 29 29 ALA CB C 29 22.800 20.900 1.900 1
1 391 . 8 1 1 A 29 29 ALA N N 29 126.000 124.838 1.162 1
1 392 . 8 1 1 A 30 30 VAL H H 30 8.530 9.195 -0.665 1
1 393 . 8 1 1 A 30 30 VAL HA H 30 4.250 4.370 -0.120 1
1 401 . 8 1 1 A 30 30 VAL C C 30 173.400 174.842 -1.442 1
1 402 . 8 1 1 A 30 30 VAL CA C 30 60.300 61.182 -0.882 1
1 403 . 8 1 1 A 30 30 VAL CB C 30 34.100 32.859 1.241 1
1 406 . 8 1 1 A 30 30 VAL N N 30 119.700 123.479 -3.779 1
1 407 . 8 1 1 A 31 31 PHE H H 31 8.040 8.636 -0.596 1
1 408 . 8 1 1 A 31 31 PHE HA H 31 4.250 5.281 -1.031 1
1 416 . 8 1 1 A 31 31 PHE C C 31 173.200 175.222 -2.022 1
1 417 . 8 1 1 A 31 31 PHE CA C 31 56.700 56.708 -0.008 1
1 418 . 8 1 1 A 31 31 PHE CB C 31 38.500 41.607 -3.107 1
1 424 . 8 1 1 A 31 31 PHE N N 31 124.100 126.874 -2.774 1
1 425 . 8 1 1 A 32 32 ARG H H 32 8.720 9.223 -0.503 1
1 426 . 8 1 1 A 32 32 ARG HA H 32 5.320 5.225 0.095 1
1 434 . 8 1 1 A 32 32 ARG C C 32 176.400 174.584 1.816 1
1 435 . 8 1 1 A 32 32 ARG CA C 32 53.400 54.496 -1.096 1
1 436 . 8 1 1 A 32 32 ARG CB C 32 34.200 33.979 0.221 1
1 440 . 8 1 1 A 32 32 ARG N N 32 122.300 120.101 2.199 1
1 442 . 8 1 1 A 33 33 HIS H H 33 8.560 8.919 -0.359 1
1 443 . 8 1 1 A 33 33 HIS HA H 33 4.710 5.001 -0.291 1
1 446 . 8 1 1 A 33 33 HIS C C 33 176.400 175.551 0.849 1
1 447 . 8 1 1 A 33 33 HIS CA C 33 56.500 55.574 0.926 1
1 448 . 8 1 1 A 33 33 HIS CB C 33 28.900 32.178 -3.278 1
1 449 . 8 1 1 A 33 33 HIS N N 33 119.800 120.139 -0.339 1
1 450 . 8 1 1 A 34 34 SER H H 34 9.160 9.003 0.157 1
1 451 . 8 1 1 A 34 34 SER HA H 34 4.390 4.443 -0.053 1
1 454 . 8 1 1 A 34 34 SER C C 34 174.900 175.950 -1.050 1
1 455 . 8 1 1 A 34 34 SER CA C 34 60.400 60.185 0.215 1
1 456 . 8 1 1 A 34 34 SER CB C 34 63.200 64.410 -1.210 1
1 457 . 8 1 1 A 34 34 SER N N 34 118.700 117.447 1.253 1
1 458 . 8 1 1 A 35 35 ASP H H 35 8.660 8.090 0.570 1
1 459 . 8 1 1 A 35 35 ASP HA H 35 4.570 4.671 -0.101 1
1 462 . 8 1 1 A 35 35 ASP C C 35 177.000 176.512 0.488 1
1 463 . 8 1 1 A 35 35 ASP CA C 35 54.300 54.478 -0.178 1
1 464 . 8 1 1 A 35 35 ASP CB C 35 39.700 41.280 -1.580 1
1 465 . 8 1 1 A 35 35 ASP N N 35 118.200 119.806 -1.606 1
1 466 . 8 1 1 A 36 36 ASN H H 36 7.900 7.898 0.002 1
1 467 . 8 1 1 A 36 36 ASN HA H 36 4.660 4.970 -0.310 1
1 472 . 8 1 1 A 36 36 ASN C C 36 175.100 174.719 0.381 1
1 473 . 8 1 1 A 36 36 ASN CA C 36 52.000 52.010 -0.010 1
1 474 . 8 1 1 A 36 36 ASN CB C 36 38.900 38.611 0.289 1
1 476 . 8 1 1 A 36 36 ASN N N 36 116.200 118.493 -2.293 1
1 478 . 8 1 1 A 37 37 ASP H H 37 7.890 8.196 -0.306 1
1 479 . 8 1 1 A 37 37 ASP HA H 37 4.670 4.270 0.400 1
1 482 . 8 1 1 A 37 37 ASP C C 37 175.800 176.080 -0.280 1
1 483 . 8 1 1 A 37 37 ASP CA C 37 55.800 55.537 0.263 1
1 484 . 8 1 1 A 37 37 ASP CB C 37 40.500 39.176 1.324 1
1 485 . 8 1 1 A 37 37 ASP N N 37 115.300 115.535 -0.235 1
1 486 . 8 1 1 A 38 38 LYS H H 38 8.310 8.724 -0.414 1
1 487 . 8 1 1 A 38 38 LYS HA H 38 4.390 4.459 -0.069 1
1 496 . 8 1 1 A 38 38 LYS C C 38 175.300 176.361 -1.061 1
1 497 . 8 1 1 A 38 38 LYS CA C 38 56.700 57.130 -0.430 1
1 498 . 8 1 1 A 38 38 LYS CB C 38 32.500 30.172 2.328 1
1 502 . 8 1 1 A 38 38 LYS N N 38 119.300 114.965 4.335 1
1 503 . 8 1 1 A 39 39 TRP HA H 39 5.000 4.617 0.383 1
1 512 . 8 1 1 A 39 39 TRP C C 39 176.100 174.811 1.289 1
1 513 . 8 1 1 A 39 39 TRP CA C 39 55.700 57.022 -1.322 1
1 514 . 8 1 1 A 39 39 TRP CB C 39 30.300 30.402 -0.102 1
1 521 . 8 1 1 A 40 40 TYR H H 40 9.270 8.688 0.582 1
1 522 . 8 1 1 A 40 40 TYR HA H 40 5.280 4.878 0.402 1
1 525 . 8 1 1 A 40 40 TYR C C 40 175.400 173.684 1.716 1
1 526 . 8 1 1 A 40 40 TYR CA C 40 55.700 55.694 0.006 1
1 527 . 8 1 1 A 40 40 TYR CB C 40 40.300 40.968 -0.668 1
1 528 . 8 1 1 A 40 40 TYR N N 40 114.000 120.464 -6.464 1
1 529 . 8 1 1 A 41 41 ALA H H 41 7.760 8.005 -0.245 1
1 530 . 8 1 1 A 41 41 ALA HA H 41 5.580 4.204 1.376 1
1 534 . 8 1 1 A 41 41 ALA C C 41 177.300 174.998 2.302 1
1 535 . 8 1 1 A 41 41 ALA CA C 41 52.900 51.031 1.869 1
1 536 . 8 1 1 A 41 41 ALA CB C 41 21.900 21.745 0.155 1
1 537 . 8 1 1 A 41 41 ALA N N 41 121.500 129.413 -7.913 1
1 538 . 8 1 1 A 42 42 LEU H H 42 8.300 8.420 -0.120 1
1 539 . 8 1 1 A 42 42 LEU HA H 42 5.200 4.700 0.500 1
1 549 . 8 1 1 A 42 42 LEU C C 42 173.300 173.706 -0.406 1
1 550 . 8 1 1 A 42 42 LEU CA C 42 54.100 54.079 0.021 1
1 551 . 8 1 1 A 42 42 LEU CB C 42 45.900 45.595 0.305 1
1 555 . 8 1 1 A 42 42 LEU N N 42 123.700 122.623 1.077 1
1 556 . 8 1 1 A 43 43 LEU H H 43 9.700 9.110 0.590 1
1 557 . 8 1 1 A 43 43 LEU HA H 43 5.250 5.427 -0.177 1
1 567 . 8 1 1 A 43 43 LEU C C 43 173.300 175.142 -1.842 1
1 568 . 8 1 1 A 43 43 LEU CA C 43 54.000 53.294 0.706 1
1 569 . 8 1 1 A 43 43 LEU CB C 43 46.000 45.530 0.470 1
1 573 . 8 1 1 A 43 43 LEU N N 43 130.400 128.300 2.100 1
1 574 . 8 1 1 A 44 44 MET H H 44 8.800 8.412 0.388 1
1 575 . 8 1 1 A 44 44 MET HA H 44 4.420 4.943 -0.523 1
1 583 . 8 1 1 A 44 44 MET C C 44 172.500 173.211 -0.711 1
1 584 . 8 1 1 A 44 44 MET CA C 44 55.000 53.757 1.243 1
1 585 . 8 1 1 A 44 44 MET CB C 44 39.100 35.328 3.772 1
1 588 . 8 1 1 A 44 44 MET N N 44 122.800 122.821 -0.021 1
1 589 . 8 1 1 A 45 45 ASP H H 45 7.960 8.642 -0.682 1
1 590 . 8 1 1 A 45 45 ASP HA H 45 5.490 5.119 0.371 1
1 593 . 8 1 1 A 45 45 ASP C C 45 175.200 175.391 -0.191 1
1 594 . 8 1 1 A 45 45 ASP CA C 45 51.900 53.047 -1.147 1
1 595 . 8 1 1 A 45 45 ASP CB C 45 40.800 42.302 -1.502 1
1 596 . 8 1 1 A 45 45 ASP N N 45 119.400 122.016 -2.616 1
1 597 . 8 1 1 A 46 46 ILE H H 46 8.800 8.325 0.475 1
1 598 . 8 1 1 A 46 46 ILE HA H 46 4.870 4.872 -0.002 1
1 608 . 8 1 1 A 46 46 ILE CA C 46 57.700 57.122 0.578 1
1 609 . 8 1 1 A 46 46 ILE CB C 46 40.100 39.783 0.317 1
1 613 . 8 1 1 A 46 46 ILE N N 46 117.400 121.455 -4.055 1
1 614 . 8 1 1 A 47 47 PRO HA H 47 4.420 4.459 -0.039 1
1 621 . 8 1 1 A 47 47 PRO C C 47 177.800 177.408 0.392 1
1 622 . 8 1 1 A 47 47 PRO CA C 47 63.000 63.019 -0.019 1
1 623 . 8 1 1 A 47 47 PRO CB C 47 31.900 32.584 -0.684 1
1 626 . 8 1 1 A 48 48 ALA H H 48 8.550 8.402 0.148 1
1 627 . 8 1 1 A 48 48 ALA HA H 48 3.550 3.974 -0.424 1
1 631 . 8 1 1 A 48 48 ALA C C 48 179.200 179.319 -0.119 1
1 632 . 8 1 1 A 48 48 ALA CA C 48 55.200 54.759 0.441 1
1 633 . 8 1 1 A 48 48 ALA CB C 48 17.700 18.172 -0.472 1
1 634 . 8 1 1 A 48 48 ALA N N 48 130.100 126.894 3.206 1
1 635 . 8 1 1 A 49 49 GLU H H 49 8.700 7.963 0.737 1
1 636 . 8 1 1 A 49 49 GLU HA H 49 4.180 4.317 -0.137 1
1 641 . 8 1 1 A 49 49 GLU C C 49 179.800 177.809 1.991 1
1 642 . 8 1 1 A 49 49 GLU CA C 49 58.200 58.459 -0.259 1
1 643 . 8 1 1 A 49 49 GLU CB C 49 28.200 29.252 -1.052 1
1 645 . 8 1 1 A 49 49 GLU N N 49 114.900 117.813 -2.913 1
1 646 . 8 1 1 A 50 50 LYS H H 50 7.910 7.797 0.113 1
1 647 . 8 1 1 A 50 50 LYS HA H 50 4.060 4.101 -0.041 1
1 656 . 8 1 1 A 50 50 LYS C C 50 178.100 177.734 0.366 1
1 657 . 8 1 1 A 50 50 LYS CA C 50 56.900 57.274 -0.374 1
1 658 . 8 1 1 A 50 50 LYS CB C 50 31.700 32.113 -0.413 1
1 662 . 8 1 1 A 50 50 LYS N N 50 118.100 118.484 -0.384 1
1 663 . 8 1 1 A 51 51 ILE H H 51 7.190 7.120 0.070 1
1 664 . 8 1 1 A 51 51 ILE HA H 51 4.490 4.182 0.308 1
1 674 . 8 1 1 A 51 51 ILE C C 51 175.300 176.758 -1.458 1
1 675 . 8 1 1 A 51 51 ILE CA C 51 60.100 60.076 0.024 1
1 676 . 8 1 1 A 51 51 ILE CB C 51 37.400 37.161 0.239 1
1 680 . 8 1 1 A 51 51 ILE N N 51 109.000 112.649 -3.649 1
1 681 . 8 1 1 A 52 52 GLY H H 52 7.370 7.930 -0.560 1
1 682 . 8 1 1 A 52 52 GLY HA2 H 52 4.050 3.971 0.079 1
1 683 . 8 1 1 A 52 52 GLY HA3 H 52 3.730 4.032 -0.302 1
1 684 . 8 1 1 A 52 52 GLY C C 52 174.200 174.044 0.156 1
1 685 . 8 1 1 A 52 52 GLY CA C 52 46.100 45.068 1.032 1
1 686 . 8 1 1 A 52 52 GLY N N 52 106.900 110.624 -3.724 1
1 687 . 8 1 1 A 53 53 ILE H H 53 7.260 7.522 -0.262 1
1 688 . 8 1 1 A 53 53 ILE HA H 53 4.040 4.080 -0.040 1
1 698 . 8 1 1 A 53 53 ILE C C 53 174.700 176.302 -1.602 1
1 699 . 8 1 1 A 53 53 ILE CA C 53 60.500 60.642 -0.142 1
1 700 . 8 1 1 A 53 53 ILE CB C 53 38.700 37.434 1.266 1
1 704 . 8 1 1 A 53 53 ILE N N 53 121.900 122.783 -0.883 1
1 705 . 8 1 1 A 54 54 ASN H H 54 8.280 9.235 -0.955 1
1 706 . 8 1 1 A 54 54 ASN HA H 54 4.540 4.673 -0.133 1
1 711 . 8 1 1 A 54 54 ASN C C 54 175.400 176.134 -0.734 1
1 712 . 8 1 1 A 54 54 ASN CA C 54 53.700 53.982 -0.282 1
1 713 . 8 1 1 A 54 54 ASN CB C 54 39.000 38.257 0.743 1
1 715 . 8 1 1 A 54 54 ASN N N 54 123.300 125.403 -2.103 1
1 717 . 8 1 1 A 55 55 GLY H H 55 8.240 8.044 0.196 1
1 718 . 8 1 1 A 55 55 GLY HA2 H 55 4.230 4.018 0.212 1
1 719 . 8 1 1 A 55 55 GLY HA3 H 55 3.740 4.025 -0.285 1
1 720 . 8 1 1 A 55 55 GLY C C 55 173.200 174.398 -1.198 1
1 721 . 8 1 1 A 55 55 GLY CA C 55 44.800 44.995 -0.195 1
1 722 . 8 1 1 A 55 55 GLY N N 55 110.200 108.401 1.799 1
1 723 . 8 1 1 A 56 56 ASP H H 56 8.320 8.582 -0.262 1
1 724 . 8 1 1 A 56 56 ASP HA H 56 4.700 4.743 -0.043 1
1 727 . 8 1 1 A 56 56 ASP C C 56 175.800 175.942 -0.142 1
1 728 . 8 1 1 A 56 56 ASP CA C 56 53.400 53.458 -0.058 1
1 729 . 8 1 1 A 56 56 ASP CB C 56 40.500 40.537 -0.037 1
1 730 . 8 1 1 A 56 56 ASP N N 56 119.000 119.110 -0.110 1
1 731 . 8 1 1 A 57 57 LYS H H 57 7.780 7.634 0.146 1
1 732 . 8 1 1 A 57 57 LYS HA H 57 4.400 4.459 -0.059 1
1 741 . 8 1 1 A 57 57 LYS C C 57 175.700 176.597 -0.897 1
1 742 . 8 1 1 A 57 57 LYS CA C 57 55.600 55.693 -0.093 1
1 743 . 8 1 1 A 57 57 LYS CB C 57 33.700 33.480 0.220 1
1 747 . 8 1 1 A 57 57 LYS N N 57 119.500 122.081 -2.581 1
1 748 . 8 1 1 A 58 58 ARG H H 58 8.410 8.599 -0.189 1
1 749 . 8 1 1 A 58 58 ARG HA H 58 4.740 4.458 0.282 1
1 757 . 8 1 1 A 58 58 ARG C C 58 176.200 176.312 -0.112 1
1 758 . 8 1 1 A 58 58 ARG CA C 58 55.300 56.268 -0.968 1
1 759 . 8 1 1 A 58 58 ARG CB C 58 31.700 30.818 0.882 1
1 763 . 8 1 1 A 58 58 ARG N N 58 120.900 125.574 -4.674 1
1 765 . 8 1 1 A 59 59 VAL H H 59 9.030 8.470 0.560 1
1 766 . 8 1 1 A 59 59 VAL HA H 59 4.570 4.852 -0.282 1
1 774 . 8 1 1 A 59 59 VAL C C 59 173.900 173.725 0.175 1
1 775 . 8 1 1 A 59 59 VAL CA C 59 58.700 58.612 0.088 1
1 776 . 8 1 1 A 59 59 VAL CB C 59 34.700 35.859 -1.159 1
1 779 . 8 1 1 A 59 59 VAL N N 59 115.600 118.546 -2.946 1
1 780 . 8 1 1 A 60 60 ASP H H 60 8.290 8.615 -0.325 1
1 781 . 8 1 1 A 60 60 ASP HA H 60 5.560 5.423 0.137 1
1 784 . 8 1 1 A 60 60 ASP C C 60 175.800 175.733 0.067 1
1 785 . 8 1 1 A 60 60 ASP CA C 60 53.600 53.012 0.588 1
1 786 . 8 1 1 A 60 60 ASP CB C 60 43.100 42.831 0.269 1
1 787 . 8 1 1 A 60 60 ASP N N 60 120.700 121.346 -0.646 1
1 788 . 8 1 1 A 61 61 VAL H H 61 9.080 8.554 0.526 1
1 789 . 8 1 1 A 61 61 VAL HA H 61 5.150 5.185 -0.035 1
1 797 . 8 1 1 A 61 61 VAL C C 61 173.800 174.375 -0.575 1
1 798 . 8 1 1 A 61 61 VAL CA C 61 57.600 59.143 -1.543 1
1 799 . 8 1 1 A 61 61 VAL CB C 61 35.500 35.831 -0.331 1
1 802 . 8 1 1 A 61 61 VAL N N 61 115.200 116.938 -1.738 1
1 803 . 8 1 1 A 62 62 ILE H H 62 8.530 8.387 0.143 1
1 804 . 8 1 1 A 62 62 ILE HA H 62 5.550 5.112 0.438 1
1 814 . 8 1 1 A 62 62 ILE CA C 62 57.800 58.462 -0.662 1
1 815 . 8 1 1 A 62 62 ILE CB C 62 41.700 41.537 0.163 1
1 819 . 8 1 1 A 62 62 ILE N N 62 112.000 119.590 -7.590 1
1 820 . 8 1 1 A 64 64 LEU HA H 64 4.960 5.080 -0.120 1
1 830 . 8 1 1 A 64 64 LEU C C 64 173.100 174.679 -1.579 1
1 831 . 8 1 1 A 64 64 LEU CA C 64 53.500 53.940 -0.440 1
1 832 . 8 1 1 A 64 64 LEU CB C 64 47.000 46.261 0.739 1
1 836 . 8 1 1 A 65 65 LYS H H 65 8.470 8.471 -0.001 1
1 837 . 8 1 1 A 65 65 LYS HA H 65 3.760 5.448 -1.688 1
1 846 . 8 1 1 A 65 65 LYS C C 65 175.100 176.140 -1.040 1
1 847 . 8 1 1 A 65 65 LYS CA C 65 55.700 55.813 -0.113 1
1 848 . 8 1 1 A 65 65 LYS CB C 65 33.600 34.261 -0.661 1
1 852 . 8 1 1 A 65 65 LYS N N 65 126.700 126.464 0.236 1
1 853 . 8 1 1 A 66 66 VAL H H 66 7.840 8.516 -0.676 1
1 854 . 8 1 1 A 66 66 VAL HA H 66 4.410 4.904 -0.494 1
1 862 . 8 1 1 A 66 66 VAL C C 66 175.300 174.905 0.395 1
1 863 . 8 1 1 A 66 66 VAL CA C 66 58.300 58.806 -0.506 1
1 864 . 8 1 1 A 66 66 VAL CB C 66 36.400 35.964 0.436 1
1 867 . 8 1 1 A 66 66 VAL N N 66 116.000 117.794 -1.794 1
1 868 . 8 1 1 A 67 67 GLN H H 67 8.620 8.436 0.184 1
1 869 . 8 1 1 A 67 67 GLN HA H 67 4.350 4.392 -0.042 1
1 876 . 8 1 1 A 67 67 GLN CA C 67 54.900 54.142 0.758 1
1 877 . 8 1 1 A 67 67 GLN CB C 67 27.600 28.058 -0.458 1
1 880 . 8 1 1 A 67 67 GLN N N 67 123.000 120.954 2.046 1
1 882 . 8 1 1 A 68 68 PRO HA H 68 4.200 4.202 -0.002 1
1 889 . 8 1 1 A 68 68 PRO C C 68 179.400 177.548 1.852 1
1 890 . 8 1 1 A 68 68 PRO CA C 68 65.100 64.454 0.646 1
1 891 . 8 1 1 A 68 68 PRO CB C 68 31.700 31.860 -0.160 1
1 894 . 8 1 1 A 69 69 GLU H H 69 9.620 8.329 1.291 1
1 895 . 8 1 1 A 69 69 GLU HA H 69 4.190 4.143 0.047 1
1 900 . 8 1 1 A 69 69 GLU C C 69 177.100 177.953 -0.853 1
1 901 . 8 1 1 A 69 69 GLU CA C 69 58.600 58.230 0.370 1
1 902 . 8 1 1 A 69 69 GLU CB C 69 28.100 29.653 -1.553 1
1 904 . 8 1 1 A 69 69 GLU N N 69 116.900 116.752 0.148 1
1 905 . 8 1 1 A 70 70 LEU H H 70 7.940 7.655 0.285 1
1 906 . 8 1 1 A 70 70 LEU HA H 70 4.460 4.418 0.042 1
1 916 . 8 1 1 A 70 70 LEU C C 70 177.600 177.055 0.545 1
1 917 . 8 1 1 A 70 70 LEU CA C 70 54.500 54.646 -0.146 1
1 918 . 8 1 1 A 70 70 LEU CB C 70 42.800 41.630 1.170 1
1 922 . 8 1 1 A 70 70 LEU N N 70 118.700 118.293 0.407 1
1 923 . 8 1 1 A 71 71 VAL H H 71 7.080 7.708 -0.628 1
1 924 . 8 1 1 A 71 71 VAL HA H 71 3.210 3.726 -0.516 1
1 932 . 8 1 1 A 71 71 VAL C C 71 176.800 178.322 -1.522 1
1 933 . 8 1 1 A 71 71 VAL CA C 71 67.700 65.837 1.863 1
1 934 . 8 1 1 A 71 71 VAL CB C 71 32.000 31.302 0.698 1
1 937 . 8 1 1 A 71 71 VAL N N 71 120.300 120.988 -0.688 1
1 938 . 8 1 1 A 72 72 GLY H H 72 8.540 8.421 0.119 1
1 939 . 8 1 1 A 72 72 GLY HA2 H 72 3.770 3.872 -0.102 1
1 940 . 8 1 1 A 72 72 GLY HA3 H 72 3.630 3.873 -0.243 1
1 941 . 8 1 1 A 72 72 GLY C C 72 176.300 175.957 0.343 1
1 942 . 8 1 1 A 72 72 GLY CA C 72 47.000 46.403 0.597 1
1 943 . 8 1 1 A 72 72 GLY N N 72 105.300 109.181 -3.881 1
1 944 . 8 1 1 A 73 73 SER H H 73 7.870 8.277 -0.407 1
1 945 . 8 1 1 A 73 73 SER HA H 73 4.170 4.172 -0.002 1
1 948 . 8 1 1 A 73 73 SER C C 73 178.000 176.500 1.500 1
1 949 . 8 1 1 A 73 73 SER CA C 73 60.600 61.422 -0.822 1
1 950 . 8 1 1 A 73 73 SER CB C 73 62.700 62.996 -0.296 1
1 951 . 8 1 1 A 73 73 SER N N 73 115.700 117.311 -1.611 1
1 952 . 8 1 1 A 74 74 LEU H H 74 8.340 7.892 0.448 1
1 953 . 8 1 1 A 74 74 LEU HA H 74 4.000 4.077 -0.077 1
1 963 . 8 1 1 A 74 74 LEU C C 74 178.400 179.219 -0.819 1
1 964 . 8 1 1 A 74 74 LEU CA C 74 57.900 57.485 0.415 1
1 965 . 8 1 1 A 74 74 LEU CB C 74 41.700 41.615 0.085 1
1 969 . 8 1 1 A 74 74 LEU N N 74 124.600 119.740 4.860 1
1 970 . 8 1 1 A 75 75 ARG H H 75 7.850 7.739 0.111 1
1 971 . 8 1 1 A 75 75 ARG HA H 75 3.750 3.847 -0.097 1
1 979 . 8 1 1 A 75 75 ARG C C 75 176.500 178.907 -2.407 1
1 980 . 8 1 1 A 75 75 ARG CA C 75 57.800 59.784 -1.984 1
1 981 . 8 1 1 A 75 75 ARG CB C 75 29.500 29.782 -0.282 1
1 985 . 8 1 1 A 75 75 ARG N N 75 113.300 119.061 -5.761 1
1 987 . 8 1 1 A 76 76 LYS H H 76 7.100 7.761 -0.661 1
1 988 . 8 1 1 A 76 76 LYS HA H 76 4.210 4.181 0.029 1
1 997 . 8 1 1 A 76 76 LYS C C 76 177.000 176.559 0.441 1
1 998 . 8 1 1 A 76 76 LYS CA C 76 56.500 58.109 -1.609 1
1 999 . 8 1 1 A 76 76 LYS CB C 76 32.700 31.819 0.881 1
1 1003 . 8 1 1 A 76 76 LYS N N 76 116.600 116.231 0.369 1
1 1004 . 8 1 1 A 77 77 LYS H H 77 7.830 7.473 0.357 1
1 1005 . 8 1 1 A 77 77 LYS HA H 77 4.470 4.445 0.025 1
1 1014 . 8 1 1 A 77 77 LYS CA C 77 54.500 53.457 1.043 1
1 1015 . 8 1 1 A 77 77 LYS CB C 77 31.800 32.608 -0.808 1
1 1019 . 8 1 1 A 77 77 LYS N N 77 122.900 121.691 1.209 1
1 1020 . 8 1 1 A 78 78 PRO HA H 78 4.190 4.161 0.029 1
1 1027 . 8 1 1 A 78 78 PRO C C 78 176.600 177.121 -0.521 1
1 1028 . 8 1 1 A 78 78 PRO CA C 78 63.700 63.684 0.016 1
1 1029 . 8 1 1 A 78 78 PRO CB C 78 31.900 31.510 0.390 1
1 1032 . 8 1 1 A 79 79 GLY H H 79 8.290 8.799 -0.509 1
1 1033 . 8 1 1 A 79 79 GLY HA2 H 79 4.350 3.924 0.426 1
1 1034 . 8 1 1 A 79 79 GLY HA3 H 79 3.590 3.982 -0.392 1
1 1035 . 8 1 1 A 79 79 GLY C C 79 172.000 173.491 -1.491 1
1 1036 . 8 1 1 A 79 79 GLY CA C 79 45.500 45.325 0.175 1
1 1037 . 8 1 1 A 79 79 GLY N N 79 109.300 111.461 -2.161 1
1 1038 . 8 1 1 A 80 80 ILE H H 80 7.300 7.413 -0.113 1
1 1039 . 8 1 1 A 80 80 ILE HA H 80 4.770 4.646 0.124 1
1 1049 . 8 1 1 A 80 80 ILE C C 80 174.200 174.148 0.052 1
1 1050 . 8 1 1 A 80 80 ILE CA C 80 60.500 60.010 0.490 1
1 1051 . 8 1 1 A 80 80 ILE CB C 80 37.000 40.461 -3.461 1
1 1055 . 8 1 1 A 80 80 ILE N N 80 119.200 122.688 -3.488 1
1 1056 . 8 1 1 A 81 81 TYR H H 81 9.490 8.698 0.792 1
1 1057 . 8 1 1 A 81 81 TYR HA H 81 4.840 4.923 -0.083 1
1 1064 . 8 1 1 A 81 81 TYR CA C 81 56.800 55.892 0.908 1
1 1065 . 8 1 1 A 81 81 TYR CB C 81 39.800 40.927 -1.127 1
1 1070 . 8 1 1 A 81 81 TYR N N 81 126.100 125.956 0.144 1
1 1071 . 8 1 1 A 82 82 PRO HA H 82 4.610 4.557 0.053 1
1 1078 . 8 1 1 A 82 82 PRO CA C 82 62.300 62.946 -0.646 1
1 1079 . 8 1 1 A 82 82 PRO CB C 82 32.000 32.042 -0.042 1
1 1082 . 8 1 1 A 83 83 ALA HA H 83 4.140 4.021 0.119 1
1 1086 . 8 1 1 A 84 84 TYR HA H 84 4.470 4.997 -0.527 1
1 1093 . 8 1 1 A 84 84 TYR CA C 84 57.500 57.215 0.285 1
1 1094 . 8 1 1 A 84 84 TYR CB C 84 39.500 39.583 -0.083 1
1 1099 . 8 1 1 A 87 87 ASN HA H 87 4.410 4.363 0.047 1
1 1104 . 8 1 1 A 87 87 ASN C C 87 176.500 176.240 0.260 1
1 1105 . 8 1 1 A 87 87 ASN CA C 87 55.100 53.706 1.394 1
1 1106 . 8 1 1 A 87 87 ASN CB C 87 40.600 39.246 1.354 1
1 1109 . 8 1 1 A 88 88 LYS H H 88 8.710 8.899 -0.189 1
1 1110 . 8 1 1 A 88 88 LYS HA H 88 4.320 4.330 -0.010 1
1 1119 . 8 1 1 A 88 88 LYS C C 88 177.600 178.620 -1.020 1
1 1120 . 8 1 1 A 88 88 LYS CA C 88 58.100 58.170 -0.070 1
1 1121 . 8 1 1 A 88 88 LYS CB C 88 33.000 32.913 0.087 1
1 1125 . 8 1 1 A 88 88 LYS N N 88 123.800 127.722 -3.922 1
1 1126 . 8 1 1 A 89 89 GLU H H 89 8.390 8.423 -0.033 1
1 1127 . 8 1 1 A 89 89 GLU HA H 89 4.270 4.121 0.149 1
1 1132 . 8 1 1 A 89 89 GLU C C 89 176.500 178.914 -2.414 1
1 1133 . 8 1 1 A 89 89 GLU CA C 89 57.800 58.808 -1.008 1
1 1134 . 8 1 1 A 89 89 GLU CB C 89 30.100 29.841 0.259 1
1 1136 . 8 1 1 A 89 89 GLU N N 89 117.000 118.945 -1.945 1
1 1137 . 8 1 1 A 90 90 HIS H H 90 7.600 8.236 -0.636 1
1 1138 . 8 1 1 A 90 90 HIS HA H 90 4.580 4.347 0.233 1
1 1142 . 8 1 1 A 90 90 HIS C C 90 170.800 175.409 -4.609 1
1 1143 . 8 1 1 A 90 90 HIS CA C 90 55.500 58.660 -3.160 1
1 1144 . 8 1 1 A 90 90 HIS CB C 90 32.200 29.587 2.613 1
1 1145 . 8 1 1 A 90 90 HIS N N 90 111.500 116.351 -4.851 1
1 1146 . 8 1 1 A 91 91 TRP H H 91 7.650 7.713 -0.063 1
1 1147 . 8 1 1 A 91 91 TRP HA H 91 5.610 5.283 0.327 1
1 1156 . 8 1 1 A 91 91 TRP C C 91 174.600 175.585 -0.985 1
1 1157 . 8 1 1 A 91 91 TRP CA C 91 55.500 56.200 -0.700 1
1 1158 . 8 1 1 A 91 91 TRP CB C 91 31.700 31.537 0.163 1
1 1163 . 8 1 1 A 91 91 TRP N N 91 117.400 116.852 0.548 1
1 1165 . 8 1 1 A 92 92 ILE H H 92 9.100 8.598 0.502 1
1 1166 . 8 1 1 A 92 92 ILE HA H 92 4.630 4.839 -0.209 1
1 1176 . 8 1 1 A 92 92 ILE C C 92 174.500 174.864 -0.364 1
1 1177 . 8 1 1 A 92 92 ILE CA C 92 59.800 59.895 -0.095 1
1 1178 . 8 1 1 A 92 92 ILE CB C 92 42.500 42.341 0.159 1
1 1182 . 8 1 1 A 92 92 ILE N N 92 111.700 122.993 -11.293 1
1 1183 . 8 1 1 A 93 93 THR H H 93 8.570 8.473 0.097 1
1 1184 . 8 1 1 A 93 93 THR HA H 93 4.250 5.390 -1.140 1
1 1190 . 8 1 1 A 93 93 THR CA C 93 61.800 60.144 1.656 1
1 1191 . 8 1 1 A 93 93 THR CB C 93 70.200 70.766 -0.566 1
1 1193 . 8 1 1 A 93 93 THR N N 93 117.600 115.258 2.342 1
1 1194 . 8 1 1 A 94 94 VAL HA H 94 4.680 4.903 -0.223 1
1 1202 . 8 1 1 A 94 94 VAL C C 94 175.400 174.656 0.744 1
1 1203 . 8 1 1 A 94 94 VAL CA C 94 60.700 60.662 0.038 1
1 1204 . 8 1 1 A 94 94 VAL CB C 94 34.100 34.475 -0.375 1
1 1207 . 8 1 1 A 95 95 LEU H H 95 8.080 9.059 -0.979 1
1 1208 . 8 1 1 A 95 95 LEU HA H 95 4.330 4.588 -0.258 1
1 1218 . 8 1 1 A 95 95 LEU C C 95 176.400 176.234 0.166 1
1 1219 . 8 1 1 A 95 95 LEU CA C 95 55.000 54.431 0.569 1
1 1220 . 8 1 1 A 95 95 LEU CB C 95 44.300 42.052 2.248 1
1 1224 . 8 1 1 A 95 95 LEU N N 95 127.500 127.868 -0.368 1
1 1225 . 8 1 1 A 96 96 LEU H H 96 8.050 8.336 -0.286 1
1 1226 . 8 1 1 A 96 96 LEU HA H 96 4.150 4.023 0.127 1
1 1236 . 8 1 1 A 96 96 LEU C C 96 177.400 178.631 -1.231 1
1 1237 . 8 1 1 A 96 96 LEU CA C 96 56.500 58.125 -1.625 1
1 1238 . 8 1 1 A 96 96 LEU CB C 96 40.500 41.495 -0.995 1
1 1242 . 8 1 1 A 96 96 LEU N N 96 128.100 127.200 0.900 1
1 1243 . 8 1 1 A 97 97 ASN H H 97 8.690 7.946 0.744 1
1 1244 . 8 1 1 A 97 97 ASN HA H 97 4.740 4.770 -0.030 1
1 1249 . 8 1 1 A 97 97 ASN C C 97 174.900 176.289 -1.389 1
1 1250 . 8 1 1 A 97 97 ASN CA C 97 53.000 54.261 -1.261 1
1 1251 . 8 1 1 A 97 97 ASN CB C 97 37.700 38.463 -0.763 1
1 1252 . 8 1 1 A 97 97 ASN N N 97 117.200 114.465 2.735 1
1 1254 . 8 1 1 A 98 98 GLY H H 98 7.820 8.111 -0.291 1
1 1255 . 8 1 1 A 98 98 GLY HA2 H 98 4.470 4.144 0.326 1
1 1256 . 8 1 1 A 98 98 GLY HA3 H 98 3.740 4.147 -0.407 1
1 1257 . 8 1 1 A 98 98 GLY C C 98 174.900 174.645 0.255 1
1 1258 . 8 1 1 A 98 98 GLY CA C 98 44.900 44.829 0.071 1
1 1259 . 8 1 1 A 98 98 GLY N N 98 108.600 108.099 0.501 1
1 1260 . 8 1 1 A 99 99 PRO HA H 99 4.380 4.515 -0.135 1
1 1267 . 8 1 1 A 99 99 PRO C C 99 177.400 176.573 0.827 1
1 1268 . 8 1 1 A 99 99 PRO CA C 99 63.900 64.026 -0.126 1
1 1269 . 8 1 1 A 99 99 PRO CB C 99 32.400 31.875 0.525 1
1 1272 . 8 1 1 A 100 100 LEU H H 100 7.750 7.571 0.179 1
1 1273 . 8 1 1 A 100 100 LEU HA H 100 4.280 4.370 -0.090 1
1 1283 . 8 1 1 A 100 100 LEU C C 100 177.400 176.965 0.435 1
1 1284 . 8 1 1 A 100 100 LEU CA C 100 55.800 53.559 2.241 1
1 1285 . 8 1 1 A 100 100 LEU CB C 100 42.600 43.186 -0.586 1
1 1289 . 8 1 1 A 100 100 LEU N N 100 120.300 116.929 3.371 1
1 1290 . 8 1 1 A 101 101 GLY H H 101 8.620 8.373 0.247 1
1 1291 . 8 1 1 A 101 101 GLY HA2 H 101 4.110 4.170 -0.060 1
1 1292 . 8 1 1 A 101 101 GLY HA3 H 101 3.890 4.170 -0.280 1
1 1293 . 8 1 1 A 101 101 GLY C C 101 173.600 174.840 -1.240 1
1 1294 . 8 1 1 A 101 101 GLY CA C 101 44.300 44.157 0.143 1
1 1295 . 8 1 1 A 101 101 GLY N N 101 110.600 107.051 3.549 1
1 1296 . 8 1 1 A 102 102 ALA H H 102 8.310 9.055 -0.745 1
1 1297 . 8 1 1 A 102 102 ALA HA H 102 3.520 4.026 -0.506 1
1 1301 . 8 1 1 A 102 102 ALA C C 102 178.900 180.053 -1.153 1
1 1302 . 8 1 1 A 102 102 ALA CA C 102 55.400 54.742 0.658 1
1 1303 . 8 1 1 A 102 102 ALA CB C 102 18.600 18.215 0.385 1
1 1304 . 8 1 1 A 102 102 ALA N N 102 122.000 122.831 -0.831 1
1 1305 . 8 1 1 A 103 103 LYS H H 103 8.360 7.962 0.398 1
1 1306 . 8 1 1 A 103 103 LYS HA H 103 3.730 4.083 -0.353 1
1 1315 . 8 1 1 A 103 103 LYS C C 103 179.400 178.724 0.676 1
1 1316 . 8 1 1 A 103 103 LYS CA C 103 60.000 59.444 0.556 1
1 1317 . 8 1 1 A 103 103 LYS CB C 103 31.900 32.319 -0.419 1
1 1321 . 8 1 1 A 103 103 LYS N N 103 116.500 116.417 0.083 1
1 1322 . 8 1 1 A 104 104 GLU H H 104 7.890 7.981 -0.091 1
1 1323 . 8 1 1 A 104 104 GLU HA H 104 4.080 4.108 -0.028 1
1 1328 . 8 1 1 A 104 104 GLU C C 104 179.300 179.611 -0.311 1
1 1329 . 8 1 1 A 104 104 GLU CA C 104 59.500 59.160 0.340 1
1 1330 . 8 1 1 A 104 104 GLU CB C 104 29.100 29.636 -0.536 1
1 1332 . 8 1 1 A 104 104 GLU N N 104 120.000 119.107 0.893 1
1 1333 . 8 1 1 A 105 105 ILE H H 105 8.170 7.630 0.540 1
1 1334 . 8 1 1 A 105 105 ILE HA H 105 3.520 3.719 -0.199 1
1 1344 . 8 1 1 A 105 105 ILE C C 105 178.100 178.320 -0.220 1
1 1345 . 8 1 1 A 105 105 ILE CA C 105 66.700 65.437 1.263 1
1 1346 . 8 1 1 A 105 105 ILE CB C 105 37.700 37.821 -0.121 1
1 1350 . 8 1 1 A 105 105 ILE N N 105 119.500 120.466 -0.966 1
1 1351 . 8 1 1 A 106 106 HIS H H 106 8.930 8.452 0.478 1
1 1352 . 8 1 1 A 106 106 HIS HA H 106 4.230 4.065 0.165 1
1 1356 . 8 1 1 A 106 106 HIS C C 106 178.000 176.917 1.083 1
1 1357 . 8 1 1 A 106 106 HIS CA C 106 57.600 59.904 -2.304 1
1 1358 . 8 1 1 A 106 106 HIS CB C 106 28.400 29.441 -1.041 1
1 1360 . 8 1 1 A 106 106 HIS N N 106 116.700 120.113 -3.413 1
1 1361 . 8 1 1 A 107 107 SER H H 107 8.060 8.375 -0.315 1
1 1362 . 8 1 1 A 107 107 SER HA H 107 4.310 4.088 0.222 1
1 1365 . 8 1 1 A 107 107 SER C C 107 175.900 177.733 -1.833 1
1 1366 . 8 1 1 A 107 107 SER CA C 107 62.200 61.721 0.479 1
1 1367 . 8 1 1 A 107 107 SER CB C 107 62.500 62.362 0.138 1
1 1368 . 8 1 1 A 107 107 SER N N 107 117.000 114.518 2.482 1
1 1369 . 8 1 1 A 108 108 LEU H H 108 7.950 8.126 -0.176 1
1 1370 . 8 1 1 A 108 108 LEU HA H 108 4.180 3.997 0.183 1
1 1380 . 8 1 1 A 108 108 LEU C C 108 180.600 178.905 1.695 1
1 1381 . 8 1 1 A 108 108 LEU CA C 108 57.900 58.015 -0.115 1
1 1382 . 8 1 1 A 108 108 LEU CB C 108 42.500 41.835 0.665 1
1 1386 . 8 1 1 A 108 108 LEU N N 108 121.800 122.629 -0.829 1
1 1387 . 8 1 1 A 109 109 ILE H H 109 8.730 8.262 0.468 1
1 1388 . 8 1 1 A 109 109 ILE HA H 109 3.830 3.576 0.254 1
1 1398 . 8 1 1 A 109 109 ILE C C 109 176.800 178.029 -1.229 1
1 1399 . 8 1 1 A 109 109 ILE CA C 109 65.800 65.587 0.213 1
1 1400 . 8 1 1 A 109 109 ILE CB C 109 38.600 37.444 1.156 1
1 1404 . 8 1 1 A 109 109 ILE N N 109 120.200 119.742 0.458 1
1 1405 . 8 1 1 A 110 110 GLU H H 110 7.960 8.639 -0.679 1
1 1406 . 8 1 1 A 110 110 GLU HA H 110 4.280 3.912 0.368 1
1 1411 . 8 1 1 A 110 110 GLU C C 110 178.500 178.293 0.207 1
1 1412 . 8 1 1 A 110 110 GLU CA C 110 58.800 59.916 -1.116 1
1 1413 . 8 1 1 A 110 110 GLU CB C 110 28.200 29.190 -0.990 1
1 1415 . 8 1 1 A 110 110 GLU N N 110 120.800 121.259 -0.459 1
1 1416 . 8 1 1 A 111 111 ASP H H 111 8.290 8.144 0.146 1
1 1417 . 8 1 1 A 111 111 ASP HA H 111 4.470 4.425 0.045 1
1 1420 . 8 1 1 A 111 111 ASP C C 111 178.200 178.421 -0.221 1
1 1421 . 8 1 1 A 111 111 ASP CA C 111 57.100 57.800 -0.700 1
1 1422 . 8 1 1 A 111 111 ASP CB C 111 39.300 41.711 -2.411 1
1 1423 . 8 1 1 A 111 111 ASP N N 111 119.200 120.300 -1.100 1
1 1424 . 8 1 1 A 112 112 SER H H 112 7.800 7.891 -0.091 1
1 1425 . 8 1 1 A 112 112 SER HA H 112 4.200 4.340 -0.140 1
1 1428 . 8 1 1 A 112 112 SER C C 112 178.600 176.775 1.825 1
1 1429 . 8 1 1 A 112 112 SER CA C 112 61.200 61.240 -0.040 1
1 1430 . 8 1 1 A 112 112 SER CB C 112 64.200 63.003 1.197 1
1 1431 . 8 1 1 A 112 112 SER N N 112 114.700 114.149 0.551 1
1 1432 . 8 1 1 A 113 113 PHE H H 113 9.160 8.829 0.331 1
1 1433 . 8 1 1 A 113 113 PHE HA H 113 3.210 4.474 -1.264 1
1 1436 . 8 1 1 A 113 113 PHE C C 113 178.100 177.719 0.381 1
1 1437 . 8 1 1 A 113 113 PHE CA C 113 62.900 62.011 0.889 1
1 1438 . 8 1 1 A 113 113 PHE CB C 113 39.100 39.331 -0.231 1
1 1439 . 8 1 1 A 113 113 PHE N N 113 121.400 123.294 -1.894 1
1 1440 . 8 1 1 A 114 114 GLN H H 114 8.870 8.080 0.790 1
1 1441 . 8 1 1 A 114 114 GLN HA H 114 4.000 3.922 0.078 1
1 1448 . 8 1 1 A 114 114 GLN C C 114 179.700 177.464 2.236 1
1 1449 . 8 1 1 A 114 114 GLN CA C 114 58.300 58.751 -0.451 1
1 1450 . 8 1 1 A 114 114 GLN CB C 114 27.600 28.438 -0.838 1
1 1453 . 8 1 1 A 114 114 GLN N N 114 116.800 118.094 -1.294 1
1 1455 . 8 1 1 A 115 115 LEU H H 115 8.570 7.927 0.643 1
1 1456 . 8 1 1 A 115 115 LEU HA H 115 4.090 4.265 -0.175 1
1 1466 . 8 1 1 A 115 115 LEU C C 115 178.600 177.936 0.664 1
1 1467 . 8 1 1 A 115 115 LEU CA C 115 57.300 55.854 1.446 1
1 1468 . 8 1 1 A 115 115 LEU CB C 115 43.200 42.180 1.020 1
1 1472 . 8 1 1 A 115 115 LEU N N 115 119.800 119.526 0.274 1
1 1473 . 8 1 1 A 116 116 THR H H 116 7.240 7.759 -0.519 1
1 1474 . 8 1 1 A 116 116 THR HA H 116 4.270 4.535 -0.265 1
1 1480 . 8 1 1 A 116 116 THR C C 116 173.200 174.531 -1.331 1
1 1481 . 8 1 1 A 116 116 THR CA C 116 60.700 61.460 -0.760 1
1 1482 . 8 1 1 A 116 116 THR CB C 116 70.800 69.145 1.655 1
1 1484 . 8 1 1 A 116 116 THR N N 116 104.900 106.668 -1.768 1
1 1485 . 8 1 1 A 117 117 ARG H H 117 6.840 7.488 -0.648 1
1 1486 . 8 1 1 A 117 117 ARG HA H 117 3.060 4.109 -1.049 1
1 1494 . 8 1 1 A 117 117 ARG C C 117 175.200 176.007 -0.807 1
1 1495 . 8 1 1 A 117 117 ARG CA C 117 55.900 56.612 -0.712 1
1 1496 . 8 1 1 A 117 117 ARG CB C 117 31.100 30.742 0.358 1
1 1500 . 8 1 1 A 117 117 ARG N N 117 120.900 122.651 -1.751 1
1 1502 . 8 1 1 A 118 118 LEU H H 118 8.380 8.422 -0.042 1
1 1503 . 8 1 1 A 118 118 LEU HA H 118 4.100 4.203 -0.103 1
1 1513 . 8 1 1 A 118 118 LEU C C 118 176.500 177.390 -0.890 1
1 1514 . 8 1 1 A 118 118 LEU CA C 118 55.300 55.187 0.113 1
1 1515 . 8 1 1 A 118 118 LEU CB C 118 42.400 42.282 0.118 1
1 1519 . 8 1 1 A 118 118 LEU N N 118 122.600 122.370 0.230 1
1 1520 . 8 1 1 A 119 119 GLU H H 119 8.330 8.654 -0.324 1
1 1521 . 8 1 1 A 119 119 GLU HA H 119 4.160 4.284 -0.124 1
1 1526 . 8 1 1 A 119 119 GLU C C 119 175.800 176.430 -0.630 1
1 1527 . 8 1 1 A 119 119 GLU CA C 119 56.000 56.759 -0.759 1
1 1528 . 8 1 1 A 119 119 GLU CB C 119 30.300 30.123 0.177 1
1 1530 . 8 1 1 A 119 119 GLU N N 119 124.000 122.618 1.382 1
1 1531 . 8 1 1 A 120 120 HIS H H 120 8.520 8.264 0.256 1
1 1532 . 8 1 1 A 120 120 HIS HA H 120 4.620 5.210 -0.590 1
1 1535 . 8 1 1 A 120 120 HIS C C 120 174.000 174.140 -0.140 1
1 1536 . 8 1 1 A 120 120 HIS CA C 120 55.300 54.306 0.994 1
1 1537 . 8 1 1 A 120 120 HIS CB C 120 29.300 32.650 -3.350 1
1 1538 . 8 1 1 A 120 120 HIS N N 120 120.100 117.635 2.465 1
1 1539 . 8 1 1 A 121 121 HIS H H 121 8.580 8.915 -0.335 1
1 1540 . 8 1 1 A 121 121 HIS HA H 121 4.620 4.716 -0.096 1
1 1543 . 8 1 1 A 121 121 HIS C C 121 173.500 175.230 -1.730 1
1 1544 . 8 1 1 A 121 121 HIS CA C 121 55.300 55.889 -0.589 1
1 1545 . 8 1 1 A 121 121 HIS CB C 121 29.200 30.126 -0.926 1
1 1546 . 8 1 1 A 121 121 HIS N N 121 120.800 117.765 3.035 1
1 1547 . 8 1 1 A 122 122 HIS H H 122 8.400 8.158 0.242 1
1 1548 . 8 1 1 A 122 122 HIS HA H 122 4.620 5.146 -0.526 1
1 1551 . 8 1 1 A 122 122 HIS CA C 122 55.300 54.706 0.594 1
1 1552 . 8 1 1 A 122 122 HIS CB C 122 29.200 31.640 -2.440 1
1 1553 . 8 1 1 A 122 122 HIS N N 122 125.700 120.221 5.479 1
1 1554 . 8 1 1 A 123 123 HIS H H 123 8.690 8.766 -0.076 1
1 1555 . 8 1 1 A 123 123 HIS HA H 123 4.640 4.827 -0.187 1
1 1558 . 8 1 1 A 123 123 HIS C C 123 174.100 174.523 -0.423 1
1 1559 . 8 1 1 A 123 123 HIS CA C 123 55.300 55.764 -0.464 1
1 1560 . 8 1 1 A 123 123 HIS CB C 123 29.300 30.749 -1.449 1
1 1561 . 8 1 1 A 123 123 HIS N N 123 120.200 127.961 -7.761 1
1 1562 . 8 1 1 A 124 124 HIS H H 124 8.710 8.603 0.107 1
1 1563 . 8 1 1 A 124 124 HIS HA H 124 4.640 4.524 0.116 1
1 1566 . 8 1 1 A 124 124 HIS C C 124 174.200 175.811 -1.611 1
1 1567 . 8 1 1 A 124 124 HIS CA C 124 55.300 55.255 0.045 1
1 1568 . 8 1 1 A 124 124 HIS CB C 124 29.300 30.665 -1.365 1
1 14 . 9 1 1 A 2 2 ASN H H 2 8.500 8.615 -0.115 1
1 15 . 9 1 1 A 2 2 ASN HA H 2 4.990 4.965 0.025 1
1 20 . 9 1 1 A 2 2 ASN C C 2 175.600 177.089 -1.489 1
1 21 . 9 1 1 A 2 2 ASN CA C 2 51.000 52.987 -1.987 1
1 22 . 9 1 1 A 2 2 ASN CB C 2 40.000 39.338 0.662 1
1 24 . 9 1 1 A 2 2 ASN N N 2 122.000 120.679 1.321 1
1 26 . 9 1 1 A 3 3 ARG H H 3 8.950 9.041 -0.091 1
1 27 . 9 1 1 A 3 3 ARG HA H 3 3.850 4.059 -0.209 1
1 35 . 9 1 1 A 3 3 ARG C C 3 175.600 177.844 -2.244 1
1 36 . 9 1 1 A 3 3 ARG CA C 3 60.400 59.745 0.655 1
1 37 . 9 1 1 A 3 3 ARG CB C 3 30.900 30.010 0.890 1
1 41 . 9 1 1 A 3 3 ARG N N 3 117.600 123.693 -6.093 1
1 43 . 9 1 1 A 4 4 GLN H H 4 8.370 8.131 0.239 1
1 44 . 9 1 1 A 4 4 GLN HA H 4 3.900 4.115 -0.215 1
1 51 . 9 1 1 A 4 4 GLN C C 4 178.300 178.368 -0.068 1
1 52 . 9 1 1 A 4 4 GLN CA C 4 58.900 59.447 -0.547 1
1 53 . 9 1 1 A 4 4 GLN CB C 4 28.200 28.323 -0.123 1
1 56 . 9 1 1 A 4 4 GLN N N 4 120.700 119.032 1.668 1
1 58 . 9 1 1 A 5 5 GLN H H 5 8.670 8.214 0.456 1
1 59 . 9 1 1 A 5 5 GLN HA H 5 4.190 4.166 0.024 1
1 66 . 9 1 1 A 5 5 GLN C C 5 180.000 178.407 1.593 1
1 67 . 9 1 1 A 5 5 GLN CA C 5 58.500 58.910 -0.410 1
1 68 . 9 1 1 A 5 5 GLN CB C 5 28.900 28.734 0.166 1
1 71 . 9 1 1 A 5 5 GLN N N 5 117.700 118.883 -1.183 1
1 73 . 9 1 1 A 6 6 PHE H H 6 8.270 8.123 0.147 1
1 74 . 9 1 1 A 6 6 PHE HA H 6 4.130 4.305 -0.175 1
1 82 . 9 1 1 A 6 6 PHE C C 6 175.500 177.436 -1.936 1
1 83 . 9 1 1 A 6 6 PHE CA C 6 62.700 61.193 1.507 1
1 84 . 9 1 1 A 6 6 PHE CB C 6 39.000 39.364 -0.364 1
1 90 . 9 1 1 A 6 6 PHE N N 6 121.200 122.345 -1.145 1
1 91 . 9 1 1 A 7 7 ILE H H 7 8.390 8.311 0.079 1
1 92 . 9 1 1 A 7 7 ILE HA H 7 3.280 3.778 -0.498 1
1 102 . 9 1 1 A 7 7 ILE C C 7 178.900 177.661 1.239 1
1 103 . 9 1 1 A 7 7 ILE CA C 7 66.400 65.421 0.979 1
1 104 . 9 1 1 A 7 7 ILE CB C 7 38.500 38.181 0.319 1
1 108 . 9 1 1 A 7 7 ILE N N 7 121.000 121.149 -0.149 1
1 109 . 9 1 1 A 8 8 ASP H H 8 8.710 8.187 0.523 1
1 110 . 9 1 1 A 8 8 ASP HA H 8 4.370 4.316 0.054 1
1 113 . 9 1 1 A 8 8 ASP C C 8 178.000 178.472 -0.472 1
1 114 . 9 1 1 A 8 8 ASP CA C 8 57.300 57.539 -0.239 1
1 115 . 9 1 1 A 8 8 ASP CB C 8 40.600 40.292 0.308 1
1 116 . 9 1 1 A 8 8 ASP N N 8 119.800 119.487 0.313 1
1 117 . 9 1 1 A 9 9 TYR H H 9 8.060 8.912 -0.852 1
1 118 . 9 1 1 A 9 9 TYR HA H 9 4.000 4.152 -0.152 1
1 125 . 9 1 1 A 9 9 TYR C C 9 176.500 177.448 -0.948 1
1 126 . 9 1 1 A 9 9 TYR CA C 9 61.700 61.884 -0.184 1
1 127 . 9 1 1 A 9 9 TYR CB C 9 38.600 38.484 0.116 1
1 132 . 9 1 1 A 9 9 TYR N N 9 121.600 122.652 -1.052 1
1 133 . 9 1 1 A 10 10 ALA H H 10 8.340 8.305 0.035 1
1 134 . 9 1 1 A 10 10 ALA HA H 10 3.730 3.944 -0.214 1
1 138 . 9 1 1 A 10 10 ALA C C 10 180.200 179.444 0.756 1
1 139 . 9 1 1 A 10 10 ALA CA C 10 55.200 55.322 -0.122 1
1 140 . 9 1 1 A 10 10 ALA CB C 10 17.300 17.898 -0.598 1
1 141 . 9 1 1 A 10 10 ALA N N 10 120.700 121.809 -1.109 1
1 142 . 9 1 1 A 11 11 GLN H H 11 7.830 7.971 -0.141 1
1 143 . 9 1 1 A 11 11 GLN HA H 11 4.130 4.048 0.082 1
1 150 . 9 1 1 A 11 11 GLN C C 11 178.300 178.294 0.006 1
1 151 . 9 1 1 A 11 11 GLN CA C 11 59.200 58.681 0.519 1
1 152 . 9 1 1 A 11 11 GLN CB C 11 28.600 28.281 0.319 1
1 155 . 9 1 1 A 11 11 GLN N N 11 116.600 116.546 0.054 1
1 157 . 9 1 1 A 12 12 LYS H H 12 8.040 8.190 -0.150 1
1 158 . 9 1 1 A 12 12 LYS HA H 12 3.890 3.894 -0.004 1
1 167 . 9 1 1 A 12 12 LYS C C 12 178.200 178.185 0.015 1
1 168 . 9 1 1 A 12 12 LYS CA C 12 58.800 59.239 -0.439 1
1 169 . 9 1 1 A 12 12 LYS CB C 12 32.700 32.369 0.331 1
1 173 . 9 1 1 A 12 12 LYS N N 12 119.300 119.387 -0.087 1
1 174 . 9 1 1 A 13 13 LYS H H 13 8.440 7.377 1.063 1
1 175 . 9 1 1 A 13 13 LYS HA H 13 3.610 3.631 -0.021 1
1 184 . 9 1 1 A 13 13 LYS C C 13 177.600 176.868 0.732 1
1 185 . 9 1 1 A 13 13 LYS CA C 13 56.900 57.861 -0.961 1
1 186 . 9 1 1 A 13 13 LYS CB C 13 32.000 32.007 -0.007 1
1 190 . 9 1 1 A 13 13 LYS N N 13 117.700 118.394 -0.694 1
1 191 . 9 1 1 A 14 14 TYR H H 14 6.780 7.800 -1.020 1
1 192 . 9 1 1 A 14 14 TYR HA H 14 4.530 4.408 0.122 1
1 199 . 9 1 1 A 14 14 TYR C C 14 175.800 174.231 1.569 1
1 200 . 9 1 1 A 14 14 TYR CA C 14 56.600 57.464 -0.864 1
1 201 . 9 1 1 A 14 14 TYR CB C 14 39.500 39.738 -0.238 1
1 206 . 9 1 1 A 14 14 TYR N N 14 113.100 113.731 -0.631 1
1 207 . 9 1 1 A 15 15 ASP H H 15 7.620 8.625 -1.005 1
1 208 . 9 1 1 A 15 15 ASP HA H 15 4.810 4.097 0.713 1
1 211 . 9 1 1 A 15 15 ASP C C 15 175.200 175.217 -0.017 1
1 212 . 9 1 1 A 15 15 ASP CA C 15 55.100 55.334 -0.234 1
1 213 . 9 1 1 A 15 15 ASP CB C 15 39.300 39.138 0.162 1
1 214 . 9 1 1 A 15 15 ASP N N 15 119.600 117.050 2.550 1
1 215 . 9 1 1 A 16 16 THR H H 16 7.560 8.066 -0.506 1
1 216 . 9 1 1 A 16 16 THR HA H 16 4.650 4.361 0.289 1
1 222 . 9 1 1 A 16 16 THR C C 16 173.200 174.465 -1.265 1
1 223 . 9 1 1 A 16 16 THR CA C 16 61.500 62.510 -1.010 1
1 224 . 9 1 1 A 16 16 THR CB C 16 71.000 69.923 1.077 1
1 226 . 9 1 1 A 16 16 THR N N 16 113.100 113.806 -0.706 1
1 227 . 9 1 1 A 17 17 LYS H H 17 8.830 8.706 0.124 1
1 228 . 9 1 1 A 17 17 LYS HA H 17 4.690 5.035 -0.345 1
1 235 . 9 1 1 A 17 17 LYS C C 17 173.200 174.710 -1.510 1
1 236 . 9 1 1 A 17 17 LYS CA C 17 53.600 52.781 0.819 1
1 237 . 9 1 1 A 17 17 LYS CB C 17 32.800 33.993 -1.193 1
1 241 . 9 1 1 A 17 17 LYS N N 17 127.200 124.362 2.838 1
1 242 . 9 1 1 A 18 18 PRO HA H 18 3.540 4.345 -0.805 1
1 249 . 9 1 1 A 18 18 PRO C C 18 175.800 174.880 0.920 1
1 250 . 9 1 1 A 18 18 PRO CA C 18 62.000 62.844 -0.844 1
1 251 . 9 1 1 A 18 18 PRO CB C 18 32.200 31.968 0.232 1
1 254 . 9 1 1 A 19 19 ASP H H 19 8.310 8.231 0.079 1
1 255 . 9 1 1 A 19 19 ASP HA H 19 4.740 5.365 -0.625 1
1 258 . 9 1 1 A 19 19 ASP C C 19 175.100 174.373 0.727 1
1 259 . 9 1 1 A 19 19 ASP CA C 19 52.300 52.915 -0.615 1
1 260 . 9 1 1 A 19 19 ASP CB C 19 43.700 44.664 -0.964 1
1 261 . 9 1 1 A 19 19 ASP N N 19 120.300 121.137 -0.837 1
1 262 . 9 1 1 A 20 20 HIS H H 20 8.620 8.932 -0.312 1
1 263 . 9 1 1 A 20 20 HIS HA H 20 5.170 5.246 -0.076 1
1 266 . 9 1 1 A 20 20 HIS CA C 20 53.200 53.107 0.093 1
1 267 . 9 1 1 A 20 20 HIS CB C 20 28.800 30.135 -1.335 1
1 268 . 9 1 1 A 20 20 HIS N N 20 118.800 121.104 -2.304 1
1 269 . 9 1 1 A 21 21 PRO HA H 21 4.190 4.232 -0.042 1
1 276 . 9 1 1 A 21 21 PRO C C 21 176.600 176.340 0.260 1
1 277 . 9 1 1 A 21 21 PRO CA C 21 63.900 64.907 -1.007 1
1 278 . 9 1 1 A 21 21 PRO CB C 21 32.100 31.122 0.978 1
1 281 . 9 1 1 A 22 22 TRP H H 22 8.340 7.680 0.660 1
1 282 . 9 1 1 A 22 22 TRP HA H 22 5.000 4.794 0.206 1
1 291 . 9 1 1 A 22 22 TRP C C 22 174.200 176.741 -2.541 1
1 292 . 9 1 1 A 22 22 TRP CA C 22 57.100 57.526 -0.426 1
1 293 . 9 1 1 A 22 22 TRP CB C 22 29.400 30.106 -0.706 1
1 299 . 9 1 1 A 22 22 TRP N N 22 118.700 118.565 0.135 1
1 301 . 9 1 1 A 23 23 GLU H H 23 9.030 8.954 0.076 1
1 302 . 9 1 1 A 23 23 GLU HA H 23 4.000 4.268 -0.268 1
1 307 . 9 1 1 A 23 23 GLU C C 23 177.900 177.723 0.177 1
1 308 . 9 1 1 A 23 23 GLU CA C 23 59.100 58.515 0.585 1
1 309 . 9 1 1 A 23 23 GLU CB C 23 29.200 30.084 -0.884 1
1 311 . 9 1 1 A 23 23 GLU N N 23 128.400 122.874 5.526 1
1 312 . 9 1 1 A 24 24 LYS H H 24 8.500 7.943 0.557 1
1 313 . 9 1 1 A 24 24 LYS HA H 24 3.890 4.144 -0.254 1
1 322 . 9 1 1 A 24 24 LYS C C 24 175.300 176.331 -1.031 1
1 323 . 9 1 1 A 24 24 LYS CA C 24 57.100 57.800 -0.700 1
1 324 . 9 1 1 A 24 24 LYS CB C 24 32.300 32.462 -0.162 1
1 328 . 9 1 1 A 24 24 LYS N N 24 115.100 117.793 -2.693 1
1 329 . 9 1 1 A 25 25 PHE H H 25 7.010 8.008 -0.998 1
1 330 . 9 1 1 A 25 25 PHE HA H 25 4.740 5.156 -0.416 1
1 338 . 9 1 1 A 25 25 PHE C C 25 175.300 174.611 0.689 1
1 339 . 9 1 1 A 25 25 PHE CA C 25 54.300 54.813 -0.513 1
1 340 . 9 1 1 A 25 25 PHE CB C 25 39.200 38.905 0.295 1
1 346 . 9 1 1 A 25 25 PHE N N 25 115.100 117.434 -2.334 1
1 347 . 9 1 1 A 26 26 PRO HA H 26 4.380 4.861 -0.481 1
1 354 . 9 1 1 A 26 26 PRO C C 26 176.900 177.320 -0.420 1
1 355 . 9 1 1 A 26 26 PRO CA C 26 64.900 65.062 -0.162 1
1 356 . 9 1 1 A 26 26 PRO CB C 26 32.200 31.944 0.256 1
1 359 . 9 1 1 A 27 27 ASP H H 27 8.860 8.918 -0.058 1
1 360 . 9 1 1 A 27 27 ASP HA H 27 4.810 4.721 0.089 1
1 363 . 9 1 1 A 27 27 ASP C C 27 177.200 175.726 1.474 1
1 364 . 9 1 1 A 27 27 ASP CA C 27 53.900 55.236 -1.336 1
1 365 . 9 1 1 A 27 27 ASP CB C 27 39.900 41.305 -1.405 1
1 366 . 9 1 1 A 27 27 ASP N N 27 114.400 118.115 -3.715 1
1 367 . 9 1 1 A 28 28 TYR H H 28 8.300 7.964 0.336 1
1 368 . 9 1 1 A 28 28 TYR HA H 28 5.500 5.260 0.240 1
1 375 . 9 1 1 A 28 28 TYR C C 28 175.900 175.503 0.397 1
1 376 . 9 1 1 A 28 28 TYR CA C 28 55.600 57.145 -1.545 1
1 377 . 9 1 1 A 28 28 TYR CB C 28 36.400 40.638 -4.238 1
1 382 . 9 1 1 A 28 28 TYR N N 28 123.700 119.245 4.455 1
1 383 . 9 1 1 A 29 29 ALA H H 29 9.240 8.791 0.449 1
1 384 . 9 1 1 A 29 29 ALA HA H 29 5.030 4.626 0.404 1
1 388 . 9 1 1 A 29 29 ALA C C 29 174.600 175.619 -1.019 1
1 389 . 9 1 1 A 29 29 ALA CA C 29 49.700 50.615 -0.915 1
1 390 . 9 1 1 A 29 29 ALA CB C 29 22.800 23.224 -0.424 1
1 391 . 9 1 1 A 29 29 ALA N N 29 126.000 123.476 2.524 1
1 392 . 9 1 1 A 30 30 VAL H H 30 8.530 8.003 0.527 1
1 393 . 9 1 1 A 30 30 VAL HA H 30 4.250 4.750 -0.500 1
1 401 . 9 1 1 A 30 30 VAL C C 30 173.400 174.681 -1.281 1
1 402 . 9 1 1 A 30 30 VAL CA C 30 60.300 61.231 -0.931 1
1 403 . 9 1 1 A 30 30 VAL CB C 30 34.100 34.612 -0.512 1
1 406 . 9 1 1 A 30 30 VAL N N 30 119.700 119.847 -0.147 1
1 407 . 9 1 1 A 31 31 PHE H H 31 8.040 9.545 -1.505 1
1 408 . 9 1 1 A 31 31 PHE HA H 31 4.250 5.234 -0.984 1
1 416 . 9 1 1 A 31 31 PHE C C 31 173.200 174.250 -1.050 1
1 417 . 9 1 1 A 31 31 PHE CA C 31 56.700 56.570 0.130 1
1 418 . 9 1 1 A 31 31 PHE CB C 31 38.500 40.502 -2.002 1
1 424 . 9 1 1 A 31 31 PHE N N 31 124.100 126.508 -2.408 1
1 425 . 9 1 1 A 32 32 ARG H H 32 8.720 8.969 -0.249 1
1 426 . 9 1 1 A 32 32 ARG HA H 32 5.320 4.877 0.443 1
1 434 . 9 1 1 A 32 32 ARG C C 32 176.400 174.332 2.068 1
1 435 . 9 1 1 A 32 32 ARG CA C 32 53.400 54.672 -1.272 1
1 436 . 9 1 1 A 32 32 ARG CB C 32 34.200 34.190 0.010 1
1 440 . 9 1 1 A 32 32 ARG N N 32 122.300 125.373 -3.073 1
1 442 . 9 1 1 A 33 33 HIS H H 33 8.560 8.315 0.245 1
1 443 . 9 1 1 A 33 33 HIS HA H 33 4.710 5.135 -0.425 1
1 446 . 9 1 1 A 33 33 HIS C C 33 176.400 176.048 0.352 1
1 447 . 9 1 1 A 33 33 HIS CA C 33 56.500 54.828 1.672 1
1 448 . 9 1 1 A 33 33 HIS CB C 33 28.900 30.689 -1.789 1
1 449 . 9 1 1 A 33 33 HIS N N 33 119.800 125.655 -5.855 1
1 450 . 9 1 1 A 34 34 SER H H 34 9.160 9.089 0.071 1
1 451 . 9 1 1 A 34 34 SER HA H 34 4.390 4.353 0.037 1
1 454 . 9 1 1 A 34 34 SER C C 34 174.900 176.459 -1.559 1
1 455 . 9 1 1 A 34 34 SER CA C 34 60.400 61.305 -0.905 1
1 456 . 9 1 1 A 34 34 SER CB C 34 63.200 63.237 -0.037 1
1 457 . 9 1 1 A 34 34 SER N N 34 118.700 119.003 -0.303 1
1 458 . 9 1 1 A 35 35 ASP H H 35 8.660 8.364 0.296 1
1 459 . 9 1 1 A 35 35 ASP HA H 35 4.570 4.371 0.199 1
1 462 . 9 1 1 A 35 35 ASP C C 35 177.000 177.477 -0.477 1
1 463 . 9 1 1 A 35 35 ASP CA C 35 54.300 57.793 -3.493 1
1 464 . 9 1 1 A 35 35 ASP CB C 35 39.700 41.355 -1.655 1
1 465 . 9 1 1 A 35 35 ASP N N 35 118.200 122.786 -4.586 1
1 466 . 9 1 1 A 36 36 ASN H H 36 7.900 7.982 -0.082 1
1 467 . 9 1 1 A 36 36 ASN HA H 36 4.660 4.722 -0.062 1
1 472 . 9 1 1 A 36 36 ASN C C 36 175.100 175.741 -0.641 1
1 473 . 9 1 1 A 36 36 ASN CA C 36 52.000 51.974 0.026 1
1 474 . 9 1 1 A 36 36 ASN CB C 36 38.900 37.993 0.907 1
1 476 . 9 1 1 A 36 36 ASN N N 36 116.200 112.890 3.310 1
1 478 . 9 1 1 A 37 37 ASP H H 37 7.890 8.194 -0.304 1
1 479 . 9 1 1 A 37 37 ASP HA H 37 4.670 4.221 0.449 1
1 482 . 9 1 1 A 37 37 ASP C C 37 175.800 174.765 1.035 1
1 483 . 9 1 1 A 37 37 ASP CA C 37 55.800 55.560 0.240 1
1 484 . 9 1 1 A 37 37 ASP CB C 37 40.500 40.436 0.064 1
1 485 . 9 1 1 A 37 37 ASP N N 37 115.300 118.804 -3.504 1
1 486 . 9 1 1 A 38 38 LYS H H 38 8.310 8.333 -0.023 1
1 487 . 9 1 1 A 38 38 LYS HA H 38 4.390 4.544 -0.154 1
1 496 . 9 1 1 A 38 38 LYS C C 38 175.300 175.946 -0.646 1
1 497 . 9 1 1 A 38 38 LYS CA C 38 56.700 54.866 1.834 1
1 498 . 9 1 1 A 38 38 LYS CB C 38 32.500 34.270 -1.770 1
1 502 . 9 1 1 A 38 38 LYS N N 38 119.300 118.819 0.481 1
1 503 . 9 1 1 A 39 39 TRP HA H 39 5.000 4.172 0.828 1
1 512 . 9 1 1 A 39 39 TRP C C 39 176.100 174.594 1.506 1
1 513 . 9 1 1 A 39 39 TRP CA C 39 55.700 57.820 -2.120 1
1 514 . 9 1 1 A 39 39 TRP CB C 39 30.300 27.477 2.823 1
1 521 . 9 1 1 A 40 40 TYR H H 40 9.270 8.386 0.884 1
1 522 . 9 1 1 A 40 40 TYR HA H 40 5.280 4.736 0.544 1
1 525 . 9 1 1 A 40 40 TYR C C 40 175.400 174.542 0.858 1
1 526 . 9 1 1 A 40 40 TYR CA C 40 55.700 55.805 -0.105 1
1 527 . 9 1 1 A 40 40 TYR CB C 40 40.300 40.002 0.298 1
1 528 . 9 1 1 A 40 40 TYR N N 40 114.000 125.324 -11.324 1
1 529 . 9 1 1 A 41 41 ALA H H 41 7.760 8.083 -0.323 1
1 530 . 9 1 1 A 41 41 ALA HA H 41 5.580 4.936 0.644 1
1 534 . 9 1 1 A 41 41 ALA C C 41 177.300 175.842 1.458 1
1 535 . 9 1 1 A 41 41 ALA CA C 41 52.900 51.295 1.605 1
1 536 . 9 1 1 A 41 41 ALA CB C 41 21.900 22.942 -1.042 1
1 537 . 9 1 1 A 41 41 ALA N N 41 121.500 122.483 -0.983 1
1 538 . 9 1 1 A 42 42 LEU H H 42 8.300 8.638 -0.338 1
1 539 . 9 1 1 A 42 42 LEU HA H 42 5.200 5.516 -0.316 1
1 549 . 9 1 1 A 42 42 LEU C C 42 173.300 174.477 -1.177 1
1 550 . 9 1 1 A 42 42 LEU CA C 42 54.100 53.269 0.831 1
1 551 . 9 1 1 A 42 42 LEU CB C 42 45.900 46.315 -0.415 1
1 555 . 9 1 1 A 42 42 LEU N N 42 123.700 117.719 5.981 1
1 556 . 9 1 1 A 43 43 LEU H H 43 9.700 9.235 0.465 1
1 557 . 9 1 1 A 43 43 LEU HA H 43 5.250 5.537 -0.287 1
1 567 . 9 1 1 A 43 43 LEU C C 43 173.300 175.293 -1.993 1
1 568 . 9 1 1 A 43 43 LEU CA C 43 54.000 53.428 0.572 1
1 569 . 9 1 1 A 43 43 LEU CB C 43 46.000 45.258 0.742 1
1 573 . 9 1 1 A 43 43 LEU N N 43 130.400 122.748 7.652 1
1 574 . 9 1 1 A 44 44 MET H H 44 8.800 8.460 0.340 1
1 575 . 9 1 1 A 44 44 MET HA H 44 4.420 4.788 -0.368 1
1 583 . 9 1 1 A 44 44 MET C C 44 172.500 173.673 -1.173 1
1 584 . 9 1 1 A 44 44 MET CA C 44 55.000 53.334 1.666 1
1 585 . 9 1 1 A 44 44 MET CB C 44 39.100 35.191 3.909 1
1 588 . 9 1 1 A 44 44 MET N N 44 122.800 123.007 -0.207 1
1 589 . 9 1 1 A 45 45 ASP H H 45 7.960 8.391 -0.431 1
1 590 . 9 1 1 A 45 45 ASP HA H 45 5.490 5.119 0.371 1
1 593 . 9 1 1 A 45 45 ASP C C 45 175.200 175.610 -0.410 1
1 594 . 9 1 1 A 45 45 ASP CA C 45 51.900 52.676 -0.776 1
1 595 . 9 1 1 A 45 45 ASP CB C 45 40.800 41.849 -1.049 1
1 596 . 9 1 1 A 45 45 ASP N N 45 119.400 119.091 0.309 1
1 597 . 9 1 1 A 46 46 ILE H H 46 8.800 8.465 0.335 1
1 598 . 9 1 1 A 46 46 ILE HA H 46 4.870 4.881 -0.011 1
1 608 . 9 1 1 A 46 46 ILE CA C 46 57.700 56.988 0.712 1
1 609 . 9 1 1 A 46 46 ILE CB C 46 40.100 40.066 0.034 1
1 613 . 9 1 1 A 46 46 ILE N N 46 117.400 119.828 -2.428 1
1 614 . 9 1 1 A 47 47 PRO HA H 47 4.420 4.492 -0.072 1
1 621 . 9 1 1 A 47 47 PRO C C 47 177.800 177.366 0.434 1
1 622 . 9 1 1 A 47 47 PRO CA C 47 63.000 62.775 0.225 1
1 623 . 9 1 1 A 47 47 PRO CB C 47 31.900 32.787 -0.887 1
1 626 . 9 1 1 A 48 48 ALA H H 48 8.550 8.436 0.114 1
1 627 . 9 1 1 A 48 48 ALA HA H 48 3.550 4.020 -0.470 1
1 631 . 9 1 1 A 48 48 ALA C C 48 179.200 179.649 -0.449 1
1 632 . 9 1 1 A 48 48 ALA CA C 48 55.200 54.763 0.437 1
1 633 . 9 1 1 A 48 48 ALA CB C 48 17.700 18.127 -0.427 1
1 634 . 9 1 1 A 48 48 ALA N N 48 130.100 127.409 2.691 1
1 635 . 9 1 1 A 49 49 GLU H H 49 8.700 8.214 0.486 1
1 636 . 9 1 1 A 49 49 GLU HA H 49 4.180 4.219 -0.039 1
1 641 . 9 1 1 A 49 49 GLU C C 49 179.800 179.282 0.518 1
1 642 . 9 1 1 A 49 49 GLU CA C 49 58.200 59.449 -1.249 1
1 643 . 9 1 1 A 49 49 GLU CB C 49 28.200 28.944 -0.744 1
1 645 . 9 1 1 A 49 49 GLU N N 49 114.900 118.976 -4.076 1
1 646 . 9 1 1 A 50 50 LYS H H 50 7.910 7.574 0.336 1
1 647 . 9 1 1 A 50 50 LYS HA H 50 4.060 4.017 0.043 1
1 656 . 9 1 1 A 50 50 LYS C C 50 178.100 178.905 -0.805 1
1 657 . 9 1 1 A 50 50 LYS CA C 50 56.900 59.344 -2.444 1
1 658 . 9 1 1 A 50 50 LYS CB C 50 31.700 32.074 -0.374 1
1 662 . 9 1 1 A 50 50 LYS N N 50 118.100 119.852 -1.752 1
1 663 . 9 1 1 A 51 51 ILE H H 51 7.190 7.693 -0.503 1
1 664 . 9 1 1 A 51 51 ILE HA H 51 4.490 3.960 0.530 1
1 674 . 9 1 1 A 51 51 ILE C C 51 175.300 176.500 -1.200 1
1 675 . 9 1 1 A 51 51 ILE CA C 51 60.100 60.514 -0.414 1
1 676 . 9 1 1 A 51 51 ILE CB C 51 37.400 36.599 0.801 1
1 680 . 9 1 1 A 51 51 ILE N N 51 109.000 113.644 -4.644 1
1 681 . 9 1 1 A 52 52 GLY H H 52 7.370 7.757 -0.387 1
1 682 . 9 1 1 A 52 52 GLY HA2 H 52 4.050 3.864 0.186 1
1 683 . 9 1 1 A 52 52 GLY HA3 H 52 3.730 3.901 -0.171 1
1 684 . 9 1 1 A 52 52 GLY C C 52 174.200 173.887 0.313 1
1 685 . 9 1 1 A 52 52 GLY CA C 52 46.100 45.379 0.721 1
1 686 . 9 1 1 A 52 52 GLY N N 52 106.900 110.512 -3.612 1
1 687 . 9 1 1 A 53 53 ILE H H 53 7.260 7.079 0.181 1
1 688 . 9 1 1 A 53 53 ILE HA H 53 4.040 3.981 0.059 1
1 698 . 9 1 1 A 53 53 ILE C C 53 174.700 176.766 -2.066 1
1 699 . 9 1 1 A 53 53 ILE CA C 53 60.500 60.630 -0.130 1
1 700 . 9 1 1 A 53 53 ILE CB C 53 38.700 37.538 1.162 1
1 704 . 9 1 1 A 53 53 ILE N N 53 121.900 122.878 -0.978 1
1 705 . 9 1 1 A 54 54 ASN H H 54 8.280 8.993 -0.713 1
1 706 . 9 1 1 A 54 54 ASN HA H 54 4.540 4.600 -0.060 1
1 711 . 9 1 1 A 54 54 ASN C C 54 175.400 175.561 -0.161 1
1 712 . 9 1 1 A 54 54 ASN CA C 54 53.700 53.525 0.175 1
1 713 . 9 1 1 A 54 54 ASN CB C 54 39.000 37.466 1.534 1
1 715 . 9 1 1 A 54 54 ASN N N 54 123.300 123.430 -0.130 1
1 717 . 9 1 1 A 55 55 GLY H H 55 8.240 8.487 -0.247 1
1 718 . 9 1 1 A 55 55 GLY HA2 H 55 4.230 4.008 0.222 1
1 719 . 9 1 1 A 55 55 GLY HA3 H 55 3.740 4.010 -0.270 1
1 720 . 9 1 1 A 55 55 GLY C C 55 173.200 174.280 -1.080 1
1 721 . 9 1 1 A 55 55 GLY CA C 55 44.800 44.944 -0.144 1
1 722 . 9 1 1 A 55 55 GLY N N 55 110.200 108.601 1.599 1
1 723 . 9 1 1 A 56 56 ASP H H 56 8.320 8.741 -0.421 1
1 724 . 9 1 1 A 56 56 ASP HA H 56 4.700 4.778 -0.078 1
1 727 . 9 1 1 A 56 56 ASP C C 56 175.800 176.147 -0.347 1
1 728 . 9 1 1 A 56 56 ASP CA C 56 53.400 53.418 -0.018 1
1 729 . 9 1 1 A 56 56 ASP CB C 56 40.500 40.557 -0.057 1
1 730 . 9 1 1 A 56 56 ASP N N 56 119.000 120.031 -1.031 1
1 731 . 9 1 1 A 57 57 LYS H H 57 7.780 7.463 0.317 1
1 732 . 9 1 1 A 57 57 LYS HA H 57 4.400 4.422 -0.022 1
1 741 . 9 1 1 A 57 57 LYS C C 57 175.700 176.284 -0.584 1
1 742 . 9 1 1 A 57 57 LYS CA C 57 55.600 55.363 0.237 1
1 743 . 9 1 1 A 57 57 LYS CB C 57 33.700 33.134 0.566 1
1 747 . 9 1 1 A 57 57 LYS N N 57 119.500 119.642 -0.142 1
1 748 . 9 1 1 A 58 58 ARG H H 58 8.410 8.645 -0.235 1
1 749 . 9 1 1 A 58 58 ARG HA H 58 4.740 4.687 0.053 1
1 757 . 9 1 1 A 58 58 ARG C C 58 176.200 176.217 -0.017 1
1 758 . 9 1 1 A 58 58 ARG CA C 58 55.300 55.987 -0.687 1
1 759 . 9 1 1 A 58 58 ARG CB C 58 31.700 31.055 0.645 1
1 763 . 9 1 1 A 58 58 ARG N N 58 120.900 121.793 -0.893 1
1 765 . 9 1 1 A 59 59 VAL H H 59 9.030 8.560 0.470 1
1 766 . 9 1 1 A 59 59 VAL HA H 59 4.570 4.785 -0.215 1
1 774 . 9 1 1 A 59 59 VAL C C 59 173.900 173.868 0.032 1
1 775 . 9 1 1 A 59 59 VAL CA C 59 58.700 59.256 -0.556 1
1 776 . 9 1 1 A 59 59 VAL CB C 59 34.700 35.254 -0.554 1
1 779 . 9 1 1 A 59 59 VAL N N 59 115.600 118.459 -2.859 1
1 780 . 9 1 1 A 60 60 ASP H H 60 8.290 8.542 -0.252 1
1 781 . 9 1 1 A 60 60 ASP HA H 60 5.560 5.170 0.390 1
1 784 . 9 1 1 A 60 60 ASP C C 60 175.800 175.869 -0.069 1
1 785 . 9 1 1 A 60 60 ASP CA C 60 53.600 53.948 -0.348 1
1 786 . 9 1 1 A 60 60 ASP CB C 60 43.100 42.647 0.453 1
1 787 . 9 1 1 A 60 60 ASP N N 60 120.700 122.796 -2.096 1
1 788 . 9 1 1 A 61 61 VAL H H 61 9.080 8.691 0.389 1
1 789 . 9 1 1 A 61 61 VAL HA H 61 5.150 5.291 -0.141 1
1 797 . 9 1 1 A 61 61 VAL C C 61 173.800 174.172 -0.372 1
1 798 . 9 1 1 A 61 61 VAL CA C 61 57.600 59.158 -1.558 1
1 799 . 9 1 1 A 61 61 VAL CB C 61 35.500 35.852 -0.352 1
1 802 . 9 1 1 A 61 61 VAL N N 61 115.200 117.599 -2.399 1
1 803 . 9 1 1 A 62 62 ILE H H 62 8.530 8.450 0.080 1
1 804 . 9 1 1 A 62 62 ILE HA H 62 5.550 5.316 0.234 1
1 814 . 9 1 1 A 62 62 ILE CA C 62 57.800 58.736 -0.936 1
1 815 . 9 1 1 A 62 62 ILE CB C 62 41.700 42.228 -0.528 1
1 819 . 9 1 1 A 62 62 ILE N N 62 112.000 116.894 -4.894 1
1 820 . 9 1 1 A 64 64 LEU HA H 64 4.960 4.969 -0.009 1
1 830 . 9 1 1 A 64 64 LEU C C 64 173.100 175.022 -1.922 1
1 831 . 9 1 1 A 64 64 LEU CA C 64 53.500 52.993 0.507 1
1 832 . 9 1 1 A 64 64 LEU CB C 64 47.000 46.194 0.806 1
1 836 . 9 1 1 A 65 65 LYS H H 65 8.470 8.742 -0.272 1
1 837 . 9 1 1 A 65 65 LYS HA H 65 3.760 5.404 -1.644 1
1 846 . 9 1 1 A 65 65 LYS C C 65 175.100 176.232 -1.132 1
1 847 . 9 1 1 A 65 65 LYS CA C 65 55.700 55.626 0.074 1
1 848 . 9 1 1 A 65 65 LYS CB C 65 33.600 33.818 -0.218 1
1 852 . 9 1 1 A 65 65 LYS N N 65 126.700 121.795 4.905 1
1 853 . 9 1 1 A 66 66 VAL H H 66 7.840 8.685 -0.845 1
1 854 . 9 1 1 A 66 66 VAL HA H 66 4.410 4.939 -0.529 1
1 862 . 9 1 1 A 66 66 VAL C C 66 175.300 174.975 0.325 1
1 863 . 9 1 1 A 66 66 VAL CA C 66 58.300 58.881 -0.581 1
1 864 . 9 1 1 A 66 66 VAL CB C 66 36.400 35.996 0.404 1
1 867 . 9 1 1 A 66 66 VAL N N 66 116.000 119.206 -3.206 1
1 868 . 9 1 1 A 67 67 GLN H H 67 8.620 8.494 0.126 1
1 869 . 9 1 1 A 67 67 GLN HA H 67 4.350 4.538 -0.188 1
1 876 . 9 1 1 A 67 67 GLN CA C 67 54.900 54.238 0.662 1
1 877 . 9 1 1 A 67 67 GLN CB C 67 27.600 28.110 -0.510 1
1 880 . 9 1 1 A 67 67 GLN N N 67 123.000 120.978 2.022 1
1 882 . 9 1 1 A 68 68 PRO HA H 68 4.200 4.350 -0.150 1
1 889 . 9 1 1 A 68 68 PRO C C 68 179.400 177.976 1.424 1
1 890 . 9 1 1 A 68 68 PRO CA C 68 65.100 64.630 0.470 1
1 891 . 9 1 1 A 68 68 PRO CB C 68 31.700 32.025 -0.325 1
1 894 . 9 1 1 A 69 69 GLU H H 69 9.620 8.436 1.184 1
1 895 . 9 1 1 A 69 69 GLU HA H 69 4.190 4.165 0.025 1
1 900 . 9 1 1 A 69 69 GLU C C 69 177.100 177.689 -0.589 1
1 901 . 9 1 1 A 69 69 GLU CA C 69 58.600 58.911 -0.311 1
1 902 . 9 1 1 A 69 69 GLU CB C 69 28.100 29.737 -1.637 1
1 904 . 9 1 1 A 69 69 GLU N N 69 116.900 117.820 -0.920 1
1 905 . 9 1 1 A 70 70 LEU H H 70 7.940 7.729 0.211 1
1 906 . 9 1 1 A 70 70 LEU HA H 70 4.460 4.452 0.008 1
1 916 . 9 1 1 A 70 70 LEU C C 70 177.600 177.453 0.147 1
1 917 . 9 1 1 A 70 70 LEU CA C 70 54.500 54.694 -0.194 1
1 918 . 9 1 1 A 70 70 LEU CB C 70 42.800 41.809 0.991 1
1 922 . 9 1 1 A 70 70 LEU N N 70 118.700 118.104 0.596 1
1 923 . 9 1 1 A 71 71 VAL H H 71 7.080 7.778 -0.698 1
1 924 . 9 1 1 A 71 71 VAL HA H 71 3.210 3.798 -0.588 1
1 932 . 9 1 1 A 71 71 VAL C C 71 176.800 178.079 -1.279 1
1 933 . 9 1 1 A 71 71 VAL CA C 71 67.700 65.940 1.760 1
1 934 . 9 1 1 A 71 71 VAL CB C 71 32.000 31.141 0.859 1
1 937 . 9 1 1 A 71 71 VAL N N 71 120.300 120.584 -0.284 1
1 938 . 9 1 1 A 72 72 GLY H H 72 8.540 8.431 0.109 1
1 939 . 9 1 1 A 72 72 GLY HA2 H 72 3.770 3.885 -0.115 1
1 940 . 9 1 1 A 72 72 GLY HA3 H 72 3.630 3.889 -0.259 1
1 941 . 9 1 1 A 72 72 GLY C C 72 176.300 175.770 0.530 1
1 942 . 9 1 1 A 72 72 GLY CA C 72 47.000 46.416 0.584 1
1 943 . 9 1 1 A 72 72 GLY N N 72 105.300 109.106 -3.806 1
1 944 . 9 1 1 A 73 73 SER H H 73 7.870 8.295 -0.425 1
1 945 . 9 1 1 A 73 73 SER HA H 73 4.170 4.181 -0.011 1
1 948 . 9 1 1 A 73 73 SER C C 73 178.000 176.447 1.553 1
1 949 . 9 1 1 A 73 73 SER CA C 73 60.600 61.214 -0.614 1
1 950 . 9 1 1 A 73 73 SER CB C 73 62.700 63.008 -0.308 1
1 951 . 9 1 1 A 73 73 SER N N 73 115.700 117.203 -1.503 1
1 952 . 9 1 1 A 74 74 LEU H H 74 8.340 7.423 0.917 1
1 953 . 9 1 1 A 74 74 LEU HA H 74 4.000 4.083 -0.083 1
1 963 . 9 1 1 A 74 74 LEU C C 74 178.400 179.321 -0.921 1
1 964 . 9 1 1 A 74 74 LEU CA C 74 57.900 57.527 0.373 1
1 965 . 9 1 1 A 74 74 LEU CB C 74 41.700 41.722 -0.022 1
1 969 . 9 1 1 A 74 74 LEU N N 74 124.600 119.111 5.489 1
1 970 . 9 1 1 A 75 75 ARG H H 75 7.850 7.674 0.176 1
1 971 . 9 1 1 A 75 75 ARG HA H 75 3.750 4.051 -0.301 1
1 979 . 9 1 1 A 75 75 ARG C C 75 176.500 177.884 -1.384 1
1 980 . 9 1 1 A 75 75 ARG CA C 75 57.800 58.845 -1.045 1
1 981 . 9 1 1 A 75 75 ARG CB C 75 29.500 29.680 -0.180 1
1 985 . 9 1 1 A 75 75 ARG N N 75 113.300 119.086 -5.786 1
1 987 . 9 1 1 A 76 76 LYS H H 76 7.100 7.676 -0.576 1
1 988 . 9 1 1 A 76 76 LYS HA H 76 4.210 4.333 -0.123 1
1 997 . 9 1 1 A 76 76 LYS C C 76 177.000 176.758 0.242 1
1 998 . 9 1 1 A 76 76 LYS CA C 76 56.500 57.873 -1.373 1
1 999 . 9 1 1 A 76 76 LYS CB C 76 32.700 32.289 0.411 1
1 1003 . 9 1 1 A 76 76 LYS N N 76 116.600 115.519 1.081 1
1 1004 . 9 1 1 A 77 77 LYS H H 77 7.830 7.267 0.563 1
1 1005 . 9 1 1 A 77 77 LYS HA H 77 4.470 4.479 -0.009 1
1 1014 . 9 1 1 A 77 77 LYS CA C 77 54.500 53.985 0.515 1
1 1015 . 9 1 1 A 77 77 LYS CB C 77 31.800 31.669 0.131 1
1 1019 . 9 1 1 A 77 77 LYS N N 77 122.900 121.379 1.521 1
1 1020 . 9 1 1 A 78 78 PRO HA H 78 4.190 4.144 0.046 1
1 1027 . 9 1 1 A 78 78 PRO C C 78 176.600 177.189 -0.589 1
1 1028 . 9 1 1 A 78 78 PRO CA C 78 63.700 63.560 0.140 1
1 1029 . 9 1 1 A 78 78 PRO CB C 78 31.900 31.801 0.099 1
1 1032 . 9 1 1 A 79 79 GLY H H 79 8.290 8.596 -0.306 1
1 1033 . 9 1 1 A 79 79 GLY HA2 H 79 4.350 3.823 0.527 1
1 1034 . 9 1 1 A 79 79 GLY HA3 H 79 3.590 3.836 -0.246 1
1 1035 . 9 1 1 A 79 79 GLY C C 79 172.000 173.791 -1.791 1
1 1036 . 9 1 1 A 79 79 GLY CA C 79 45.500 45.206 0.294 1
1 1037 . 9 1 1 A 79 79 GLY N N 79 109.300 110.767 -1.467 1
1 1038 . 9 1 1 A 80 80 ILE H H 80 7.300 7.534 -0.234 1
1 1039 . 9 1 1 A 80 80 ILE HA H 80 4.770 4.020 0.750 1
1 1049 . 9 1 1 A 80 80 ILE C C 80 174.200 174.638 -0.438 1
1 1050 . 9 1 1 A 80 80 ILE CA C 80 60.500 61.082 -0.582 1
1 1051 . 9 1 1 A 80 80 ILE CB C 80 37.000 38.727 -1.727 1
1 1055 . 9 1 1 A 80 80 ILE N N 80 119.200 121.798 -2.598 1
1 1056 . 9 1 1 A 81 81 TYR H H 81 9.490 8.489 1.001 1
1 1057 . 9 1 1 A 81 81 TYR HA H 81 4.840 4.923 -0.083 1
1 1064 . 9 1 1 A 81 81 TYR CA C 81 56.800 55.891 0.909 1
1 1065 . 9 1 1 A 81 81 TYR CB C 81 39.800 40.890 -1.090 1
1 1070 . 9 1 1 A 81 81 TYR N N 81 126.100 126.629 -0.529 1
1 1071 . 9 1 1 A 82 82 PRO HA H 82 4.610 4.493 0.117 1
1 1078 . 9 1 1 A 82 82 PRO CA C 82 62.300 62.983 -0.683 1
1 1079 . 9 1 1 A 82 82 PRO CB C 82 32.000 31.962 0.038 1
1 1082 . 9 1 1 A 83 83 ALA HA H 83 4.140 4.219 -0.079 1
1 1086 . 9 1 1 A 84 84 TYR HA H 84 4.470 4.594 -0.124 1
1 1093 . 9 1 1 A 84 84 TYR CA C 84 57.500 58.927 -1.427 1
1 1094 . 9 1 1 A 84 84 TYR CB C 84 39.500 38.431 1.069 1
1 1099 . 9 1 1 A 87 87 ASN HA H 87 4.410 4.412 -0.002 1
1 1104 . 9 1 1 A 87 87 ASN C C 87 176.500 174.847 1.653 1
1 1105 . 9 1 1 A 87 87 ASN CA C 87 55.100 53.659 1.441 1
1 1106 . 9 1 1 A 87 87 ASN CB C 87 40.600 38.586 2.014 1
1 1109 . 9 1 1 A 88 88 LYS H H 88 8.710 8.384 0.326 1
1 1110 . 9 1 1 A 88 88 LYS HA H 88 4.320 4.352 -0.032 1
1 1119 . 9 1 1 A 88 88 LYS C C 88 177.600 177.735 -0.135 1
1 1120 . 9 1 1 A 88 88 LYS CA C 88 58.100 57.589 0.511 1
1 1121 . 9 1 1 A 88 88 LYS CB C 88 33.000 34.922 -1.922 1
1 1125 . 9 1 1 A 88 88 LYS N N 88 123.800 122.794 1.006 1
1 1126 . 9 1 1 A 89 89 GLU H H 89 8.390 8.364 0.026 1
1 1127 . 9 1 1 A 89 89 GLU HA H 89 4.270 4.104 0.166 1
1 1132 . 9 1 1 A 89 89 GLU C C 89 176.500 178.841 -2.341 1
1 1133 . 9 1 1 A 89 89 GLU CA C 89 57.800 58.721 -0.921 1
1 1134 . 9 1 1 A 89 89 GLU CB C 89 30.100 29.347 0.753 1
1 1136 . 9 1 1 A 89 89 GLU N N 89 117.000 118.990 -1.990 1
1 1137 . 9 1 1 A 90 90 HIS H H 90 7.600 7.189 0.411 1
1 1138 . 9 1 1 A 90 90 HIS HA H 90 4.580 4.363 0.217 1
1 1142 . 9 1 1 A 90 90 HIS C C 90 170.800 175.115 -4.315 1
1 1143 . 9 1 1 A 90 90 HIS CA C 90 55.500 58.863 -3.363 1
1 1144 . 9 1 1 A 90 90 HIS CB C 90 32.200 30.068 2.132 1
1 1145 . 9 1 1 A 90 90 HIS N N 90 111.500 115.078 -3.578 1
1 1146 . 9 1 1 A 91 91 TRP H H 91 7.650 7.637 0.013 1
1 1147 . 9 1 1 A 91 91 TRP HA H 91 5.610 5.560 0.050 1
1 1156 . 9 1 1 A 91 91 TRP C C 91 174.600 175.710 -1.110 1
1 1157 . 9 1 1 A 91 91 TRP CA C 91 55.500 56.368 -0.868 1
1 1158 . 9 1 1 A 91 91 TRP CB C 91 31.700 32.002 -0.302 1
1 1163 . 9 1 1 A 91 91 TRP N N 91 117.400 115.987 1.413 1
1 1165 . 9 1 1 A 92 92 ILE H H 92 9.100 8.727 0.373 1
1 1166 . 9 1 1 A 92 92 ILE HA H 92 4.630 4.725 -0.095 1
1 1176 . 9 1 1 A 92 92 ILE C C 92 174.500 174.801 -0.301 1
1 1177 . 9 1 1 A 92 92 ILE CA C 92 59.800 59.908 -0.108 1
1 1178 . 9 1 1 A 92 92 ILE CB C 92 42.500 42.584 -0.084 1
1 1182 . 9 1 1 A 92 92 ILE N N 92 111.700 120.681 -8.981 1
1 1183 . 9 1 1 A 93 93 THR H H 93 8.570 8.350 0.220 1
1 1184 . 9 1 1 A 93 93 THR HA H 93 4.250 4.910 -0.660 1
1 1190 . 9 1 1 A 93 93 THR CA C 93 61.800 62.158 -0.358 1
1 1191 . 9 1 1 A 93 93 THR CB C 93 70.200 69.756 0.444 1
1 1193 . 9 1 1 A 93 93 THR N N 93 117.600 123.284 -5.684 1
1 1194 . 9 1 1 A 94 94 VAL HA H 94 4.680 4.615 0.065 1
1 1202 . 9 1 1 A 94 94 VAL C C 94 175.400 174.626 0.774 1
1 1203 . 9 1 1 A 94 94 VAL CA C 94 60.700 60.834 -0.134 1
1 1204 . 9 1 1 A 94 94 VAL CB C 94 34.100 34.308 -0.208 1
1 1207 . 9 1 1 A 95 95 LEU H H 95 8.080 8.722 -0.642 1
1 1208 . 9 1 1 A 95 95 LEU HA H 95 4.330 4.615 -0.285 1
1 1218 . 9 1 1 A 95 95 LEU C C 95 176.400 176.194 0.206 1
1 1219 . 9 1 1 A 95 95 LEU CA C 95 55.000 54.431 0.569 1
1 1220 . 9 1 1 A 95 95 LEU CB C 95 44.300 41.983 2.317 1
1 1224 . 9 1 1 A 95 95 LEU N N 95 127.500 127.784 -0.284 1
1 1225 . 9 1 1 A 96 96 LEU H H 96 8.050 8.375 -0.325 1
1 1226 . 9 1 1 A 96 96 LEU HA H 96 4.150 4.022 0.128 1
1 1236 . 9 1 1 A 96 96 LEU C C 96 177.400 178.335 -0.935 1
1 1237 . 9 1 1 A 96 96 LEU CA C 96 56.500 58.090 -1.590 1
1 1238 . 9 1 1 A 96 96 LEU CB C 96 40.500 41.603 -1.103 1
1 1242 . 9 1 1 A 96 96 LEU N N 96 128.100 127.138 0.962 1
1 1243 . 9 1 1 A 97 97 ASN H H 97 8.690 7.816 0.874 1
1 1244 . 9 1 1 A 97 97 ASN HA H 97 4.740 4.889 -0.149 1
1 1249 . 9 1 1 A 97 97 ASN C C 97 174.900 175.934 -1.034 1
1 1250 . 9 1 1 A 97 97 ASN CA C 97 53.000 53.372 -0.372 1
1 1251 . 9 1 1 A 97 97 ASN CB C 97 37.700 38.725 -1.025 1
1 1252 . 9 1 1 A 97 97 ASN N N 97 117.200 114.951 2.249 1
1 1254 . 9 1 1 A 98 98 GLY H H 98 7.820 8.199 -0.379 1
1 1255 . 9 1 1 A 98 98 GLY HA2 H 98 4.470 4.130 0.340 1
1 1256 . 9 1 1 A 98 98 GLY HA3 H 98 3.740 4.141 -0.401 1
1 1257 . 9 1 1 A 98 98 GLY C C 98 174.900 174.661 0.239 1
1 1258 . 9 1 1 A 98 98 GLY CA C 98 44.900 43.861 1.039 1
1 1259 . 9 1 1 A 98 98 GLY N N 98 108.600 108.199 0.401 1
1 1260 . 9 1 1 A 99 99 PRO HA H 99 4.380 4.352 0.028 1
1 1267 . 9 1 1 A 99 99 PRO C C 99 177.400 177.262 0.138 1
1 1268 . 9 1 1 A 99 99 PRO CA C 99 63.900 65.147 -1.247 1
1 1269 . 9 1 1 A 99 99 PRO CB C 99 32.400 31.496 0.904 1
1 1272 . 9 1 1 A 100 100 LEU H H 100 7.750 7.595 0.155 1
1 1273 . 9 1 1 A 100 100 LEU HA H 100 4.280 4.312 -0.032 1
1 1283 . 9 1 1 A 100 100 LEU C C 100 177.400 177.025 0.375 1
1 1284 . 9 1 1 A 100 100 LEU CA C 100 55.800 54.151 1.649 1
1 1285 . 9 1 1 A 100 100 LEU CB C 100 42.600 42.892 -0.292 1
1 1289 . 9 1 1 A 100 100 LEU N N 100 120.300 114.827 5.473 1
1 1290 . 9 1 1 A 101 101 GLY H H 101 8.620 8.381 0.239 1
1 1291 . 9 1 1 A 101 101 GLY HA2 H 101 4.110 4.115 -0.005 1
1 1292 . 9 1 1 A 101 101 GLY HA3 H 101 3.890 4.122 -0.232 1
1 1293 . 9 1 1 A 101 101 GLY C C 101 173.600 174.824 -1.224 1
1 1294 . 9 1 1 A 101 101 GLY CA C 101 44.300 44.058 0.242 1
1 1295 . 9 1 1 A 101 101 GLY N N 101 110.600 107.908 2.692 1
1 1296 . 9 1 1 A 102 102 ALA H H 102 8.310 8.608 -0.298 1
1 1297 . 9 1 1 A 102 102 ALA HA H 102 3.520 3.839 -0.319 1
1 1301 . 9 1 1 A 102 102 ALA C C 102 178.900 179.626 -0.726 1
1 1302 . 9 1 1 A 102 102 ALA CA C 102 55.400 54.505 0.895 1
1 1303 . 9 1 1 A 102 102 ALA CB C 102 18.600 18.044 0.556 1
1 1304 . 9 1 1 A 102 102 ALA N N 102 122.000 122.445 -0.445 1
1 1305 . 9 1 1 A 103 103 LYS H H 103 8.360 7.958 0.402 1
1 1306 . 9 1 1 A 103 103 LYS HA H 103 3.730 3.742 -0.012 1
1 1315 . 9 1 1 A 103 103 LYS C C 103 179.400 179.761 -0.361 1
1 1316 . 9 1 1 A 103 103 LYS CA C 103 60.000 59.501 0.499 1
1 1317 . 9 1 1 A 103 103 LYS CB C 103 31.900 32.155 -0.255 1
1 1321 . 9 1 1 A 103 103 LYS N N 103 116.500 117.844 -1.344 1
1 1322 . 9 1 1 A 104 104 GLU H H 104 7.890 8.003 -0.113 1
1 1323 . 9 1 1 A 104 104 GLU HA H 104 4.080 4.036 0.044 1
1 1328 . 9 1 1 A 104 104 GLU C C 104 179.300 179.438 -0.138 1
1 1329 . 9 1 1 A 104 104 GLU CA C 104 59.500 58.933 0.567 1
1 1330 . 9 1 1 A 104 104 GLU CB C 104 29.100 29.598 -0.498 1
1 1332 . 9 1 1 A 104 104 GLU N N 104 120.000 120.021 -0.021 1
1 1333 . 9 1 1 A 105 105 ILE H H 105 8.170 7.466 0.704 1
1 1334 . 9 1 1 A 105 105 ILE HA H 105 3.520 3.735 -0.215 1
1 1344 . 9 1 1 A 105 105 ILE C C 105 178.100 178.337 -0.237 1
1 1345 . 9 1 1 A 105 105 ILE CA C 105 66.700 65.431 1.269 1
1 1346 . 9 1 1 A 105 105 ILE CB C 105 37.700 37.815 -0.115 1
1 1350 . 9 1 1 A 105 105 ILE N N 105 119.500 120.798 -1.298 1
1 1351 . 9 1 1 A 106 106 HIS H H 106 8.930 8.065 0.865 1
1 1352 . 9 1 1 A 106 106 HIS HA H 106 4.230 4.368 -0.138 1
1 1356 . 9 1 1 A 106 106 HIS C C 106 178.000 177.798 0.202 1
1 1357 . 9 1 1 A 106 106 HIS CA C 106 57.600 60.011 -2.411 1
1 1358 . 9 1 1 A 106 106 HIS CB C 106 28.400 29.930 -1.530 1
1 1360 . 9 1 1 A 106 106 HIS N N 106 116.700 120.284 -3.584 1
1 1361 . 9 1 1 A 107 107 SER H H 107 8.060 8.045 0.015 1
1 1362 . 9 1 1 A 107 107 SER HA H 107 4.310 4.163 0.147 1
1 1365 . 9 1 1 A 107 107 SER C C 107 175.900 176.284 -0.384 1
1 1366 . 9 1 1 A 107 107 SER CA C 107 62.200 61.906 0.294 1
1 1367 . 9 1 1 A 107 107 SER CB C 107 62.500 63.059 -0.559 1
1 1368 . 9 1 1 A 107 107 SER N N 107 117.000 115.380 1.620 1
1 1369 . 9 1 1 A 108 108 LEU H H 108 7.950 8.426 -0.476 1
1 1370 . 9 1 1 A 108 108 LEU HA H 108 4.180 4.018 0.162 1
1 1380 . 9 1 1 A 108 108 LEU C C 108 180.600 179.088 1.512 1
1 1381 . 9 1 1 A 108 108 LEU CA C 108 57.900 58.152 -0.252 1
1 1382 . 9 1 1 A 108 108 LEU CB C 108 42.500 42.018 0.482 1
1 1386 . 9 1 1 A 108 108 LEU N N 108 121.800 120.382 1.418 1
1 1387 . 9 1 1 A 109 109 ILE H H 109 8.730 8.506 0.224 1
1 1388 . 9 1 1 A 109 109 ILE HA H 109 3.830 3.871 -0.041 1
1 1398 . 9 1 1 A 109 109 ILE C C 109 176.800 178.181 -1.381 1
1 1399 . 9 1 1 A 109 109 ILE CA C 109 65.800 65.514 0.286 1
1 1400 . 9 1 1 A 109 109 ILE CB C 109 38.600 37.488 1.112 1
1 1404 . 9 1 1 A 109 109 ILE N N 109 120.200 119.661 0.539 1
1 1405 . 9 1 1 A 110 110 GLU H H 110 7.960 8.919 -0.959 1
1 1406 . 9 1 1 A 110 110 GLU HA H 110 4.280 4.065 0.215 1
1 1411 . 9 1 1 A 110 110 GLU C C 110 178.500 178.357 0.143 1
1 1412 . 9 1 1 A 110 110 GLU CA C 110 58.800 60.048 -1.248 1
1 1413 . 9 1 1 A 110 110 GLU CB C 110 28.200 29.332 -1.132 1
1 1415 . 9 1 1 A 110 110 GLU N N 110 120.800 121.423 -0.623 1
1 1416 . 9 1 1 A 111 111 ASP H H 111 8.290 8.291 -0.001 1
1 1417 . 9 1 1 A 111 111 ASP HA H 111 4.470 4.442 0.028 1
1 1420 . 9 1 1 A 111 111 ASP C C 111 178.200 178.403 -0.203 1
1 1421 . 9 1 1 A 111 111 ASP CA C 111 57.100 57.934 -0.834 1
1 1422 . 9 1 1 A 111 111 ASP CB C 111 39.300 41.436 -2.136 1
1 1423 . 9 1 1 A 111 111 ASP N N 111 119.200 120.286 -1.086 1
1 1424 . 9 1 1 A 112 112 SER H H 112 7.800 8.050 -0.250 1
1 1425 . 9 1 1 A 112 112 SER HA H 112 4.200 4.391 -0.191 1
1 1428 . 9 1 1 A 112 112 SER C C 112 178.600 176.518 2.082 1
1 1429 . 9 1 1 A 112 112 SER CA C 112 61.200 61.438 -0.238 1
1 1430 . 9 1 1 A 112 112 SER CB C 112 64.200 62.628 1.572 1
1 1431 . 9 1 1 A 112 112 SER N N 112 114.700 115.751 -1.051 1
1 1432 . 9 1 1 A 113 113 PHE H H 113 9.160 8.841 0.319 1
1 1433 . 9 1 1 A 113 113 PHE HA H 113 3.210 3.858 -0.648 1
1 1436 . 9 1 1 A 113 113 PHE C C 113 178.100 177.655 0.445 1
1 1437 . 9 1 1 A 113 113 PHE CA C 113 62.900 61.334 1.566 1
1 1438 . 9 1 1 A 113 113 PHE CB C 113 39.100 39.134 -0.034 1
1 1439 . 9 1 1 A 113 113 PHE N N 113 121.400 123.697 -2.297 1
1 1440 . 9 1 1 A 114 114 GLN H H 114 8.870 8.422 0.448 1
1 1441 . 9 1 1 A 114 114 GLN HA H 114 4.000 3.761 0.239 1
1 1448 . 9 1 1 A 114 114 GLN C C 114 179.700 179.156 0.544 1
1 1449 . 9 1 1 A 114 114 GLN CA C 114 58.300 58.813 -0.513 1
1 1450 . 9 1 1 A 114 114 GLN CB C 114 27.600 28.074 -0.474 1
1 1453 . 9 1 1 A 114 114 GLN N N 114 116.800 118.122 -1.322 1
1 1455 . 9 1 1 A 115 115 LEU H H 115 8.570 7.773 0.797 1
1 1456 . 9 1 1 A 115 115 LEU HA H 115 4.090 4.024 0.066 1
1 1466 . 9 1 1 A 115 115 LEU C C 115 178.600 178.027 0.573 1
1 1467 . 9 1 1 A 115 115 LEU CA C 115 57.300 57.837 -0.537 1
1 1468 . 9 1 1 A 115 115 LEU CB C 115 43.200 41.975 1.225 1
1 1472 . 9 1 1 A 115 115 LEU N N 115 119.800 120.103 -0.303 1
1 1473 . 9 1 1 A 116 116 THR H H 116 7.240 7.287 -0.047 1
1 1474 . 9 1 1 A 116 116 THR HA H 116 4.270 4.463 -0.193 1
1 1480 . 9 1 1 A 116 116 THR C C 116 173.200 174.386 -1.186 1
1 1481 . 9 1 1 A 116 116 THR CA C 116 60.700 61.362 -0.662 1
1 1482 . 9 1 1 A 116 116 THR CB C 116 70.800 69.459 1.341 1
1 1484 . 9 1 1 A 116 116 THR N N 116 104.900 105.164 -0.264 1
1 1485 . 9 1 1 A 117 117 ARG H H 117 6.840 7.122 -0.282 1
1 1486 . 9 1 1 A 117 117 ARG HA H 117 3.060 3.474 -0.414 1
1 1494 . 9 1 1 A 117 117 ARG C C 117 175.200 175.564 -0.364 1
1 1495 . 9 1 1 A 117 117 ARG CA C 117 55.900 55.742 0.158 1
1 1496 . 9 1 1 A 117 117 ARG CB C 117 31.100 30.199 0.901 1
1 1500 . 9 1 1 A 117 117 ARG N N 117 120.900 122.258 -1.358 1
1 1502 . 9 1 1 A 118 118 LEU H H 118 8.380 8.203 0.177 1
1 1503 . 9 1 1 A 118 118 LEU HA H 118 4.100 4.715 -0.615 1
1 1513 . 9 1 1 A 118 118 LEU C C 118 176.500 176.313 0.187 1
1 1514 . 9 1 1 A 118 118 LEU CA C 118 55.300 53.664 1.636 1
1 1515 . 9 1 1 A 118 118 LEU CB C 118 42.400 43.151 -0.751 1
1 1519 . 9 1 1 A 118 118 LEU N N 118 122.600 121.753 0.847 1
1 1520 . 9 1 1 A 119 119 GLU H H 119 8.330 9.140 -0.810 1
1 1521 . 9 1 1 A 119 119 GLU HA H 119 4.160 4.074 0.086 1
1 1526 . 9 1 1 A 119 119 GLU C C 119 175.800 176.086 -0.286 1
1 1527 . 9 1 1 A 119 119 GLU CA C 119 56.000 58.436 -2.436 1
1 1528 . 9 1 1 A 119 119 GLU CB C 119 30.300 28.178 2.122 1
1 1530 . 9 1 1 A 119 119 GLU N N 119 124.000 119.610 4.390 1
1 1531 . 9 1 1 A 120 120 HIS H H 120 8.520 8.775 -0.255 1
1 1532 . 9 1 1 A 120 120 HIS HA H 120 4.620 4.046 0.574 1
1 1535 . 9 1 1 A 120 120 HIS C C 120 174.000 174.301 -0.301 1
1 1536 . 9 1 1 A 120 120 HIS CA C 120 55.300 56.605 -1.305 1
1 1537 . 9 1 1 A 120 120 HIS CB C 120 29.300 28.060 1.240 1
1 1538 . 9 1 1 A 120 120 HIS N N 120 120.100 120.366 -0.266 1
1 1539 . 9 1 1 A 121 121 HIS H H 121 8.580 7.685 0.895 1
1 1540 . 9 1 1 A 121 121 HIS HA H 121 4.620 4.265 0.355 1
1 1543 . 9 1 1 A 121 121 HIS C C 121 173.500 176.343 -2.843 1
1 1544 . 9 1 1 A 121 121 HIS CA C 121 55.300 56.014 -0.714 1
1 1545 . 9 1 1 A 121 121 HIS CB C 121 29.200 30.322 -1.122 1
1 1546 . 9 1 1 A 121 121 HIS N N 121 120.800 120.022 0.778 1
1 1547 . 9 1 1 A 122 122 HIS H H 122 8.400 8.581 -0.181 1
1 1548 . 9 1 1 A 122 122 HIS HA H 122 4.620 4.023 0.597 1
1 1551 . 9 1 1 A 122 122 HIS CA C 122 55.300 58.946 -3.646 1
1 1552 . 9 1 1 A 122 122 HIS CB C 122 29.200 29.540 -0.340 1
1 1553 . 9 1 1 A 122 122 HIS N N 122 125.700 122.071 3.629 1
1 1554 . 9 1 1 A 123 123 HIS H H 123 8.690 7.651 1.039 1
1 1555 . 9 1 1 A 123 123 HIS HA H 123 4.640 4.306 0.334 1
1 1558 . 9 1 1 A 123 123 HIS C C 123 174.100 174.720 -0.620 1
1 1559 . 9 1 1 A 123 123 HIS CA C 123 55.300 56.758 -1.458 1
1 1560 . 9 1 1 A 123 123 HIS CB C 123 29.300 30.401 -1.101 1
1 1561 . 9 1 1 A 123 123 HIS N N 123 120.200 119.237 0.963 1
1 1562 . 9 1 1 A 124 124 HIS H H 124 8.710 8.375 0.335 1
1 1563 . 9 1 1 A 124 124 HIS HA H 124 4.640 4.383 0.257 1
1 1566 . 9 1 1 A 124 124 HIS C C 124 174.200 175.807 -1.607 1
1 1567 . 9 1 1 A 124 124 HIS CA C 124 55.300 55.248 0.052 1
1 1568 . 9 1 1 A 124 124 HIS CB C 124 29.300 30.208 -0.908 1
1 14 . 10 1 1 A 2 2 ASN H H 2 8.500 9.170 -0.670 1
1 15 . 10 1 1 A 2 2 ASN HA H 2 4.990 5.162 -0.172 1
1 20 . 10 1 1 A 2 2 ASN C C 2 175.600 175.994 -0.394 1
1 21 . 10 1 1 A 2 2 ASN CA C 2 51.000 51.913 -0.913 1
1 22 . 10 1 1 A 2 2 ASN CB C 2 40.000 40.892 -0.892 1
1 24 . 10 1 1 A 2 2 ASN N N 2 122.000 122.427 -0.427 1
1 26 . 10 1 1 A 3 3 ARG H H 3 8.950 9.104 -0.154 1
1 27 . 10 1 1 A 3 3 ARG HA H 3 3.850 4.008 -0.158 1
1 35 . 10 1 1 A 3 3 ARG C C 3 175.600 177.724 -2.124 1
1 36 . 10 1 1 A 3 3 ARG CA C 3 60.400 59.735 0.665 1
1 37 . 10 1 1 A 3 3 ARG CB C 3 30.900 29.959 0.941 1
1 41 . 10 1 1 A 3 3 ARG N N 3 117.600 125.973 -8.373 1
1 43 . 10 1 1 A 4 4 GLN H H 4 8.370 8.110 0.260 1
1 44 . 10 1 1 A 4 4 GLN HA H 4 3.900 4.085 -0.185 1
1 51 . 10 1 1 A 4 4 GLN C C 4 178.300 178.287 0.013 1
1 52 . 10 1 1 A 4 4 GLN CA C 4 58.900 59.357 -0.457 1
1 53 . 10 1 1 A 4 4 GLN CB C 4 28.200 28.247 -0.047 1
1 56 . 10 1 1 A 4 4 GLN N N 4 120.700 118.545 2.155 1
1 58 . 10 1 1 A 5 5 GLN H H 5 8.670 8.156 0.514 1
1 59 . 10 1 1 A 5 5 GLN HA H 5 4.190 4.133 0.057 1
1 66 . 10 1 1 A 5 5 GLN C C 5 180.000 178.651 1.349 1
1 67 . 10 1 1 A 5 5 GLN CA C 5 58.500 59.047 -0.547 1
1 68 . 10 1 1 A 5 5 GLN CB C 5 28.900 28.304 0.596 1
1 71 . 10 1 1 A 5 5 GLN N N 5 117.700 118.525 -0.825 1
1 73 . 10 1 1 A 6 6 PHE H H 6 8.270 7.978 0.292 1
1 74 . 10 1 1 A 6 6 PHE HA H 6 4.130 4.195 -0.065 1
1 82 . 10 1 1 A 6 6 PHE C C 6 175.500 177.280 -1.780 1
1 83 . 10 1 1 A 6 6 PHE CA C 6 62.700 61.263 1.437 1
1 84 . 10 1 1 A 6 6 PHE CB C 6 39.000 39.261 -0.261 1
1 90 . 10 1 1 A 6 6 PHE N N 6 121.200 121.332 -0.132 1
1 91 . 10 1 1 A 7 7 ILE H H 7 8.390 8.127 0.263 1
1 92 . 10 1 1 A 7 7 ILE HA H 7 3.280 3.592 -0.312 1
1 102 . 10 1 1 A 7 7 ILE C C 7 178.900 177.579 1.321 1
1 103 . 10 1 1 A 7 7 ILE CA C 7 66.400 65.380 1.020 1
1 104 . 10 1 1 A 7 7 ILE CB C 7 38.500 37.838 0.662 1
1 108 . 10 1 1 A 7 7 ILE N N 7 121.000 120.798 0.202 1
1 109 . 10 1 1 A 8 8 ASP H H 8 8.710 8.128 0.582 1
1 110 . 10 1 1 A 8 8 ASP HA H 8 4.370 4.273 0.097 1
1 113 . 10 1 1 A 8 8 ASP C C 8 178.000 178.421 -0.421 1
1 114 . 10 1 1 A 8 8 ASP CA C 8 57.300 57.516 -0.216 1
1 115 . 10 1 1 A 8 8 ASP CB C 8 40.600 40.481 0.119 1
1 116 . 10 1 1 A 8 8 ASP N N 8 119.800 119.669 0.131 1
1 117 . 10 1 1 A 9 9 TYR H H 9 8.060 8.477 -0.417 1
1 118 . 10 1 1 A 9 9 TYR HA H 9 4.000 4.082 -0.082 1
1 125 . 10 1 1 A 9 9 TYR C C 9 176.500 177.664 -1.164 1
1 126 . 10 1 1 A 9 9 TYR CA C 9 61.700 61.615 0.085 1
1 127 . 10 1 1 A 9 9 TYR CB C 9 38.600 38.374 0.226 1
1 132 . 10 1 1 A 9 9 TYR N N 9 121.600 122.656 -1.056 1
1 133 . 10 1 1 A 10 10 ALA H H 10 8.340 8.334 0.006 1
1 134 . 10 1 1 A 10 10 ALA HA H 10 3.730 4.066 -0.336 1
1 138 . 10 1 1 A 10 10 ALA C C 10 180.200 179.536 0.664 1
1 139 . 10 1 1 A 10 10 ALA CA C 10 55.200 54.969 0.231 1
1 140 . 10 1 1 A 10 10 ALA CB C 10 17.300 18.047 -0.747 1
1 141 . 10 1 1 A 10 10 ALA N N 10 120.700 121.569 -0.869 1
1 142 . 10 1 1 A 11 11 GLN H H 11 7.830 8.519 -0.689 1
1 143 . 10 1 1 A 11 11 GLN HA H 11 4.130 3.976 0.154 1
1 150 . 10 1 1 A 11 11 GLN C C 11 178.300 178.381 -0.081 1
1 151 . 10 1 1 A 11 11 GLN CA C 11 59.200 59.081 0.119 1
1 152 . 10 1 1 A 11 11 GLN CB C 11 28.600 28.331 0.269 1
1 155 . 10 1 1 A 11 11 GLN N N 11 116.600 117.914 -1.314 1
1 157 . 10 1 1 A 12 12 LYS H H 12 8.040 8.371 -0.331 1
1 158 . 10 1 1 A 12 12 LYS HA H 12 3.890 3.955 -0.065 1
1 167 . 10 1 1 A 12 12 LYS C C 12 178.200 177.921 0.279 1
1 168 . 10 1 1 A 12 12 LYS CA C 12 58.800 58.794 0.006 1
1 169 . 10 1 1 A 12 12 LYS CB C 12 32.700 31.830 0.870 1
1 173 . 10 1 1 A 12 12 LYS N N 12 119.300 119.767 -0.467 1
1 174 . 10 1 1 A 13 13 LYS H H 13 8.440 7.661 0.779 1
1 175 . 10 1 1 A 13 13 LYS HA H 13 3.610 3.663 -0.053 1
1 184 . 10 1 1 A 13 13 LYS C C 13 177.600 177.104 0.496 1
1 185 . 10 1 1 A 13 13 LYS CA C 13 56.900 58.055 -1.155 1
1 186 . 10 1 1 A 13 13 LYS CB C 13 32.000 32.324 -0.324 1
1 190 . 10 1 1 A 13 13 LYS N N 13 117.700 118.647 -0.947 1
1 191 . 10 1 1 A 14 14 TYR H H 14 6.780 8.181 -1.401 1
1 192 . 10 1 1 A 14 14 TYR HA H 14 4.530 4.657 -0.127 1
1 199 . 10 1 1 A 14 14 TYR C C 14 175.800 174.777 1.023 1
1 200 . 10 1 1 A 14 14 TYR CA C 14 56.600 57.922 -1.322 1
1 201 . 10 1 1 A 14 14 TYR CB C 14 39.500 39.687 -0.187 1
1 206 . 10 1 1 A 14 14 TYR N N 14 113.100 113.882 -0.782 1
1 207 . 10 1 1 A 15 15 ASP H H 15 7.620 8.808 -1.188 1
1 208 . 10 1 1 A 15 15 ASP HA H 15 4.810 4.525 0.285 1
1 211 . 10 1 1 A 15 15 ASP C C 15 175.200 175.513 -0.313 1
1 212 . 10 1 1 A 15 15 ASP CA C 15 55.100 55.155 -0.055 1
1 213 . 10 1 1 A 15 15 ASP CB C 15 39.300 39.749 -0.449 1
1 214 . 10 1 1 A 15 15 ASP N N 15 119.600 119.974 -0.374 1
1 215 . 10 1 1 A 16 16 THR H H 16 7.560 7.693 -0.133 1
1 216 . 10 1 1 A 16 16 THR HA H 16 4.650 4.819 -0.169 1
1 222 . 10 1 1 A 16 16 THR C C 16 173.200 173.353 -0.153 1
1 223 . 10 1 1 A 16 16 THR CA C 16 61.500 60.547 0.953 1
1 224 . 10 1 1 A 16 16 THR CB C 16 71.000 70.927 0.073 1
1 226 . 10 1 1 A 16 16 THR N N 16 113.100 108.158 4.942 1
1 227 . 10 1 1 A 17 17 LYS H H 17 8.830 8.572 0.258 1
1 228 . 10 1 1 A 17 17 LYS HA H 17 4.690 4.704 -0.014 1
1 235 . 10 1 1 A 17 17 LYS C C 17 173.200 174.433 -1.233 1
1 236 . 10 1 1 A 17 17 LYS CA C 17 53.600 54.069 -0.469 1
1 237 . 10 1 1 A 17 17 LYS CB C 17 32.800 31.901 0.899 1
1 241 . 10 1 1 A 17 17 LYS N N 17 127.200 126.971 0.229 1
1 242 . 10 1 1 A 18 18 PRO HA H 18 3.540 4.203 -0.663 1
1 249 . 10 1 1 A 18 18 PRO C C 18 175.800 175.550 0.250 1
1 250 . 10 1 1 A 18 18 PRO CA C 18 62.000 62.812 -0.812 1
1 251 . 10 1 1 A 18 18 PRO CB C 18 32.200 32.238 -0.038 1
1 254 . 10 1 1 A 19 19 ASP H H 19 8.310 7.989 0.321 1
1 255 . 10 1 1 A 19 19 ASP HA H 19 4.740 5.220 -0.480 1
1 258 . 10 1 1 A 19 19 ASP C C 19 175.100 174.197 0.903 1
1 259 . 10 1 1 A 19 19 ASP CA C 19 52.300 52.425 -0.125 1
1 260 . 10 1 1 A 19 19 ASP CB C 19 43.700 43.866 -0.166 1
1 261 . 10 1 1 A 19 19 ASP N N 19 120.300 120.024 0.276 1
1 262 . 10 1 1 A 20 20 HIS H H 20 8.620 8.384 0.236 1
1 263 . 10 1 1 A 20 20 HIS HA H 20 5.170 5.176 -0.006 1
1 266 . 10 1 1 A 20 20 HIS CA C 20 53.200 52.369 0.831 1
1 267 . 10 1 1 A 20 20 HIS CB C 20 28.800 29.798 -0.998 1
1 268 . 10 1 1 A 20 20 HIS N N 20 118.800 116.555 2.245 1
1 269 . 10 1 1 A 21 21 PRO HA H 21 4.190 4.258 -0.068 1
1 276 . 10 1 1 A 21 21 PRO C C 21 176.600 175.786 0.814 1
1 277 . 10 1 1 A 21 21 PRO CA C 21 63.900 63.877 0.023 1
1 278 . 10 1 1 A 21 21 PRO CB C 21 32.100 31.351 0.749 1
1 281 . 10 1 1 A 22 22 TRP H H 22 8.340 7.237 1.103 1
1 282 . 10 1 1 A 22 22 TRP HA H 22 5.000 4.938 0.062 1
1 291 . 10 1 1 A 22 22 TRP C C 22 174.200 176.520 -2.320 1
1 292 . 10 1 1 A 22 22 TRP CA C 22 57.100 55.575 1.525 1
1 293 . 10 1 1 A 22 22 TRP CB C 22 29.400 31.183 -1.783 1
1 299 . 10 1 1 A 22 22 TRP N N 22 118.700 116.618 2.082 1
1 301 . 10 1 1 A 23 23 GLU H H 23 9.030 8.910 0.120 1
1 302 . 10 1 1 A 23 23 GLU HA H 23 4.000 4.219 -0.219 1
1 307 . 10 1 1 A 23 23 GLU C C 23 177.900 178.119 -0.219 1
1 308 . 10 1 1 A 23 23 GLU CA C 23 59.100 59.325 -0.225 1
1 309 . 10 1 1 A 23 23 GLU CB C 23 29.200 29.208 -0.008 1
1 311 . 10 1 1 A 23 23 GLU N N 23 128.400 122.660 5.740 1
1 312 . 10 1 1 A 24 24 LYS H H 24 8.500 7.974 0.526 1
1 313 . 10 1 1 A 24 24 LYS HA H 24 3.890 3.993 -0.103 1
1 322 . 10 1 1 A 24 24 LYS C C 24 175.300 176.154 -0.854 1
1 323 . 10 1 1 A 24 24 LYS CA C 24 57.100 58.115 -1.015 1
1 324 . 10 1 1 A 24 24 LYS CB C 24 32.300 31.815 0.485 1
1 328 . 10 1 1 A 24 24 LYS N N 24 115.100 117.710 -2.610 1
1 329 . 10 1 1 A 25 25 PHE H H 25 7.010 7.824 -0.814 1
1 330 . 10 1 1 A 25 25 PHE HA H 25 4.740 4.940 -0.200 1
1 338 . 10 1 1 A 25 25 PHE C C 25 175.300 174.537 0.763 1
1 339 . 10 1 1 A 25 25 PHE CA C 25 54.300 54.892 -0.592 1
1 340 . 10 1 1 A 25 25 PHE CB C 25 39.200 38.401 0.799 1
1 346 . 10 1 1 A 25 25 PHE N N 25 115.100 117.509 -2.409 1
1 347 . 10 1 1 A 26 26 PRO HA H 26 4.380 4.714 -0.334 1
1 354 . 10 1 1 A 26 26 PRO C C 26 176.900 177.172 -0.272 1
1 355 . 10 1 1 A 26 26 PRO CA C 26 64.900 64.711 0.189 1
1 356 . 10 1 1 A 26 26 PRO CB C 26 32.200 31.806 0.394 1
1 359 . 10 1 1 A 27 27 ASP H H 27 8.860 8.588 0.272 1
1 360 . 10 1 1 A 27 27 ASP HA H 27 4.810 4.746 0.064 1
1 363 . 10 1 1 A 27 27 ASP C C 27 177.200 176.381 0.819 1
1 364 . 10 1 1 A 27 27 ASP CA C 27 53.900 54.630 -0.730 1
1 365 . 10 1 1 A 27 27 ASP CB C 27 39.900 41.257 -1.357 1
1 366 . 10 1 1 A 27 27 ASP N N 27 114.400 117.566 -3.166 1
1 367 . 10 1 1 A 28 28 TYR H H 28 8.300 7.789 0.511 1
1 368 . 10 1 1 A 28 28 TYR HA H 28 5.500 4.762 0.738 1
1 375 . 10 1 1 A 28 28 TYR C C 28 175.900 176.280 -0.380 1
1 376 . 10 1 1 A 28 28 TYR CA C 28 55.600 58.229 -2.629 1
1 377 . 10 1 1 A 28 28 TYR CB C 28 36.400 40.099 -3.699 1
1 382 . 10 1 1 A 28 28 TYR N N 28 123.700 119.498 4.202 1
1 383 . 10 1 1 A 29 29 ALA H H 29 9.240 8.242 0.998 1
1 384 . 10 1 1 A 29 29 ALA HA H 29 5.030 5.453 -0.423 1
1 388 . 10 1 1 A 29 29 ALA C C 29 174.600 175.571 -0.971 1
1 389 . 10 1 1 A 29 29 ALA CA C 29 49.700 50.552 -0.852 1
1 390 . 10 1 1 A 29 29 ALA CB C 29 22.800 22.811 -0.011 1
1 391 . 10 1 1 A 29 29 ALA N N 29 126.000 124.121 1.879 1
1 392 . 10 1 1 A 30 30 VAL H H 30 8.530 8.335 0.195 1
1 393 . 10 1 1 A 30 30 VAL HA H 30 4.250 4.880 -0.630 1
1 401 . 10 1 1 A 30 30 VAL C C 30 173.400 174.498 -1.098 1
1 402 . 10 1 1 A 30 30 VAL CA C 30 60.300 60.901 -0.601 1
1 403 . 10 1 1 A 30 30 VAL CB C 30 34.100 34.785 -0.685 1
1 406 . 10 1 1 A 30 30 VAL N N 30 119.700 120.242 -0.542 1
1 407 . 10 1 1 A 31 31 PHE H H 31 8.040 8.683 -0.643 1
1 408 . 10 1 1 A 31 31 PHE HA H 31 4.250 5.018 -0.768 1
1 416 . 10 1 1 A 31 31 PHE C C 31 173.200 174.848 -1.648 1
1 417 . 10 1 1 A 31 31 PHE CA C 31 56.700 56.529 0.171 1
1 418 . 10 1 1 A 31 31 PHE CB C 31 38.500 41.267 -2.767 1
1 424 . 10 1 1 A 31 31 PHE N N 31 124.100 126.662 -2.562 1
1 425 . 10 1 1 A 32 32 ARG H H 32 8.720 8.664 0.056 1
1 426 . 10 1 1 A 32 32 ARG HA H 32 5.320 4.154 1.166 1
1 434 . 10 1 1 A 32 32 ARG C C 32 176.400 173.300 3.100 1
1 435 . 10 1 1 A 32 32 ARG CA C 32 53.400 53.908 -0.508 1
1 436 . 10 1 1 A 32 32 ARG CB C 32 34.200 32.937 1.263 1
1 440 . 10 1 1 A 32 32 ARG N N 32 122.300 119.066 3.234 1
1 442 . 10 1 1 A 33 33 HIS H H 33 8.560 7.837 0.723 1
1 443 . 10 1 1 A 33 33 HIS HA H 33 4.710 5.059 -0.349 1
1 446 . 10 1 1 A 33 33 HIS C C 33 176.400 176.205 0.195 1
1 447 . 10 1 1 A 33 33 HIS CA C 33 56.500 54.807 1.693 1
1 448 . 10 1 1 A 33 33 HIS CB C 33 28.900 32.029 -3.129 1
1 449 . 10 1 1 A 33 33 HIS N N 33 119.800 120.132 -0.332 1
1 450 . 10 1 1 A 34 34 SER H H 34 9.160 9.178 -0.018 1
1 451 . 10 1 1 A 34 34 SER HA H 34 4.390 4.552 -0.162 1
1 454 . 10 1 1 A 34 34 SER C C 34 174.900 174.707 0.193 1
1 455 . 10 1 1 A 34 34 SER CA C 34 60.400 60.681 -0.281 1
1 456 . 10 1 1 A 34 34 SER CB C 34 63.200 63.172 0.028 1
1 457 . 10 1 1 A 34 34 SER N N 34 118.700 118.391 0.309 1
1 458 . 10 1 1 A 35 35 ASP H H 35 8.660 8.172 0.488 1
1 459 . 10 1 1 A 35 35 ASP HA H 35 4.570 4.605 -0.035 1
1 462 . 10 1 1 A 35 35 ASP C C 35 177.000 176.734 0.266 1
1 463 . 10 1 1 A 35 35 ASP CA C 35 54.300 55.478 -1.178 1
1 464 . 10 1 1 A 35 35 ASP CB C 35 39.700 41.406 -1.706 1
1 465 . 10 1 1 A 35 35 ASP N N 35 118.200 120.806 -2.606 1
1 466 . 10 1 1 A 36 36 ASN H H 36 7.900 7.890 0.010 1
1 467 . 10 1 1 A 36 36 ASN HA H 36 4.660 4.901 -0.241 1
1 472 . 10 1 1 A 36 36 ASN C C 36 175.100 174.724 0.376 1
1 473 . 10 1 1 A 36 36 ASN CA C 36 52.000 53.797 -1.797 1
1 474 . 10 1 1 A 36 36 ASN CB C 36 38.900 39.997 -1.097 1
1 476 . 10 1 1 A 36 36 ASN N N 36 116.200 117.820 -1.620 1
1 478 . 10 1 1 A 37 37 ASP H H 37 7.890 8.198 -0.308 1
1 479 . 10 1 1 A 37 37 ASP HA H 37 4.670 4.170 0.500 1
1 482 . 10 1 1 A 37 37 ASP C C 37 175.800 174.310 1.490 1
1 483 . 10 1 1 A 37 37 ASP CA C 37 55.800 55.022 0.778 1
1 484 . 10 1 1 A 37 37 ASP CB C 37 40.500 39.956 0.544 1
1 485 . 10 1 1 A 37 37 ASP N N 37 115.300 119.096 -3.796 1
1 486 . 10 1 1 A 38 38 LYS H H 38 8.310 6.070 2.240 1
1 487 . 10 1 1 A 38 38 LYS HA H 38 4.390 3.926 0.464 1
1 496 . 10 1 1 A 38 38 LYS C C 38 175.300 173.959 1.341 1
1 497 . 10 1 1 A 38 38 LYS CA C 38 56.700 55.206 1.494 1
1 498 . 10 1 1 A 38 38 LYS CB C 38 32.500 34.985 -2.485 1
1 502 . 10 1 1 A 38 38 LYS N N 38 119.300 116.465 2.835 1
1 503 . 10 1 1 A 39 39 TRP HA H 39 5.000 5.528 -0.528 1
1 512 . 10 1 1 A 39 39 TRP C C 39 176.100 173.738 2.362 1
1 513 . 10 1 1 A 39 39 TRP CA C 39 55.700 55.973 -0.273 1
1 514 . 10 1 1 A 39 39 TRP CB C 39 30.300 31.533 -1.233 1
1 521 . 10 1 1 A 40 40 TYR H H 40 9.270 8.987 0.283 1
1 522 . 10 1 1 A 40 40 TYR HA H 40 5.280 4.835 0.445 1
1 525 . 10 1 1 A 40 40 TYR C C 40 175.400 173.329 2.071 1
1 526 . 10 1 1 A 40 40 TYR CA C 40 55.700 57.733 -2.033 1
1 527 . 10 1 1 A 40 40 TYR CB C 40 40.300 40.566 -0.266 1
1 528 . 10 1 1 A 40 40 TYR N N 40 114.000 120.684 -6.684 1
1 529 . 10 1 1 A 41 41 ALA H H 41 7.760 8.195 -0.435 1
1 530 . 10 1 1 A 41 41 ALA HA H 41 5.580 4.926 0.654 1
1 534 . 10 1 1 A 41 41 ALA C C 41 177.300 175.561 1.739 1
1 535 . 10 1 1 A 41 41 ALA CA C 41 52.900 51.792 1.108 1
1 536 . 10 1 1 A 41 41 ALA CB C 41 21.900 21.669 0.231 1
1 537 . 10 1 1 A 41 41 ALA N N 41 121.500 129.163 -7.663 1
1 538 . 10 1 1 A 42 42 LEU H H 42 8.300 8.651 -0.351 1
1 539 . 10 1 1 A 42 42 LEU HA H 42 5.200 5.544 -0.344 1
1 549 . 10 1 1 A 42 42 LEU C C 42 173.300 174.683 -1.383 1
1 550 . 10 1 1 A 42 42 LEU CA C 42 54.100 52.891 1.209 1
1 551 . 10 1 1 A 42 42 LEU CB C 42 45.900 46.417 -0.517 1
1 555 . 10 1 1 A 42 42 LEU N N 42 123.700 119.765 3.935 1
1 556 . 10 1 1 A 43 43 LEU H H 43 9.700 8.840 0.860 1
1 557 . 10 1 1 A 43 43 LEU HA H 43 5.250 5.308 -0.058 1
1 567 . 10 1 1 A 43 43 LEU C C 43 173.300 175.067 -1.767 1
1 568 . 10 1 1 A 43 43 LEU CA C 43 54.000 53.532 0.468 1
1 569 . 10 1 1 A 43 43 LEU CB C 43 46.000 45.653 0.347 1
1 573 . 10 1 1 A 43 43 LEU N N 43 130.400 121.753 8.647 1
1 574 . 10 1 1 A 44 44 MET H H 44 8.800 8.344 0.456 1
1 575 . 10 1 1 A 44 44 MET HA H 44 4.420 4.667 -0.247 1
1 583 . 10 1 1 A 44 44 MET C C 44 172.500 173.589 -1.089 1
1 584 . 10 1 1 A 44 44 MET CA C 44 55.000 53.319 1.681 1
1 585 . 10 1 1 A 44 44 MET CB C 44 39.100 34.757 4.343 1
1 588 . 10 1 1 A 44 44 MET N N 44 122.800 122.749 0.051 1
1 589 . 10 1 1 A 45 45 ASP H H 45 7.960 8.535 -0.575 1
1 590 . 10 1 1 A 45 45 ASP HA H 45 5.490 5.402 0.088 1
1 593 . 10 1 1 A 45 45 ASP C C 45 175.200 175.379 -0.179 1
1 594 . 10 1 1 A 45 45 ASP CA C 45 51.900 52.671 -0.771 1
1 595 . 10 1 1 A 45 45 ASP CB C 45 40.800 41.834 -1.034 1
1 596 . 10 1 1 A 45 45 ASP N N 45 119.400 118.895 0.505 1
1 597 . 10 1 1 A 46 46 ILE H H 46 8.800 8.504 0.296 1
1 598 . 10 1 1 A 46 46 ILE HA H 46 4.870 4.867 0.003 1
1 608 . 10 1 1 A 46 46 ILE CA C 46 57.700 57.106 0.594 1
1 609 . 10 1 1 A 46 46 ILE CB C 46 40.100 39.738 0.362 1
1 613 . 10 1 1 A 46 46 ILE N N 46 117.400 120.153 -2.753 1
1 614 . 10 1 1 A 47 47 PRO HA H 47 4.420 4.471 -0.051 1
1 621 . 10 1 1 A 47 47 PRO C C 47 177.800 177.287 0.513 1
1 622 . 10 1 1 A 47 47 PRO CA C 47 63.000 62.809 0.191 1
1 623 . 10 1 1 A 47 47 PRO CB C 47 31.900 32.739 -0.839 1
1 626 . 10 1 1 A 48 48 ALA H H 48 8.550 8.543 0.007 1
1 627 . 10 1 1 A 48 48 ALA HA H 48 3.550 3.957 -0.407 1
1 631 . 10 1 1 A 48 48 ALA C C 48 179.200 179.614 -0.414 1
1 632 . 10 1 1 A 48 48 ALA CA C 48 55.200 54.699 0.501 1
1 633 . 10 1 1 A 48 48 ALA CB C 48 17.700 18.138 -0.438 1
1 634 . 10 1 1 A 48 48 ALA N N 48 130.100 127.146 2.954 1
1 635 . 10 1 1 A 49 49 GLU H H 49 8.700 8.093 0.607 1
1 636 . 10 1 1 A 49 49 GLU HA H 49 4.180 3.955 0.225 1
1 641 . 10 1 1 A 49 49 GLU C C 49 179.800 179.187 0.613 1
1 642 . 10 1 1 A 49 49 GLU CA C 49 58.200 59.482 -1.282 1
1 643 . 10 1 1 A 49 49 GLU CB C 49 28.200 29.132 -0.932 1
1 645 . 10 1 1 A 49 49 GLU N N 49 114.900 119.181 -4.281 1
1 646 . 10 1 1 A 50 50 LYS H H 50 7.910 7.525 0.385 1
1 647 . 10 1 1 A 50 50 LYS HA H 50 4.060 4.010 0.050 1
1 656 . 10 1 1 A 50 50 LYS C C 50 178.100 178.857 -0.757 1
1 657 . 10 1 1 A 50 50 LYS CA C 50 56.900 59.352 -2.452 1
1 658 . 10 1 1 A 50 50 LYS CB C 50 31.700 32.169 -0.469 1
1 662 . 10 1 1 A 50 50 LYS N N 50 118.100 119.859 -1.759 1
1 663 . 10 1 1 A 51 51 ILE H H 51 7.190 7.674 -0.484 1
1 664 . 10 1 1 A 51 51 ILE HA H 51 4.490 4.057 0.433 1
1 674 . 10 1 1 A 51 51 ILE C C 51 175.300 176.644 -1.344 1
1 675 . 10 1 1 A 51 51 ILE CA C 51 60.100 60.632 -0.532 1
1 676 . 10 1 1 A 51 51 ILE CB C 51 37.400 36.691 0.709 1
1 680 . 10 1 1 A 51 51 ILE N N 51 109.000 113.218 -4.218 1
1 681 . 10 1 1 A 52 52 GLY H H 52 7.370 7.610 -0.240 1
1 682 . 10 1 1 A 52 52 GLY HA2 H 52 4.050 3.907 0.143 1
1 683 . 10 1 1 A 52 52 GLY HA3 H 52 3.730 3.931 -0.201 1
1 684 . 10 1 1 A 52 52 GLY C C 52 174.200 174.696 -0.496 1
1 685 . 10 1 1 A 52 52 GLY CA C 52 46.100 46.392 -0.292 1
1 686 . 10 1 1 A 52 52 GLY N N 52 106.900 110.626 -3.726 1
1 687 . 10 1 1 A 53 53 ILE H H 53 7.260 7.918 -0.658 1
1 688 . 10 1 1 A 53 53 ILE HA H 53 4.040 4.197 -0.157 1
1 698 . 10 1 1 A 53 53 ILE C C 53 174.700 175.488 -0.788 1
1 699 . 10 1 1 A 53 53 ILE CA C 53 60.500 60.176 0.324 1
1 700 . 10 1 1 A 53 53 ILE CB C 53 38.700 38.720 -0.020 1
1 704 . 10 1 1 A 53 53 ILE N N 53 121.900 121.366 0.534 1
1 705 . 10 1 1 A 54 54 ASN H H 54 8.280 8.712 -0.432 1
1 706 . 10 1 1 A 54 54 ASN HA H 54 4.540 4.657 -0.117 1
1 711 . 10 1 1 A 54 54 ASN C C 54 175.400 175.220 0.180 1
1 712 . 10 1 1 A 54 54 ASN CA C 54 53.700 53.445 0.255 1
1 713 . 10 1 1 A 54 54 ASN CB C 54 39.000 37.325 1.675 1
1 715 . 10 1 1 A 54 54 ASN N N 54 123.300 125.440 -2.140 1
1 717 . 10 1 1 A 55 55 GLY H H 55 8.240 8.248 -0.008 1
1 718 . 10 1 1 A 55 55 GLY HA2 H 55 4.230 4.157 0.073 1
1 719 . 10 1 1 A 55 55 GLY HA3 H 55 3.740 4.164 -0.424 1
1 720 . 10 1 1 A 55 55 GLY C C 55 173.200 172.652 0.548 1
1 721 . 10 1 1 A 55 55 GLY CA C 55 44.800 45.943 -1.143 1
1 722 . 10 1 1 A 55 55 GLY N N 55 110.200 109.867 0.333 1
1 723 . 10 1 1 A 56 56 ASP H H 56 8.320 8.511 -0.191 1
1 724 . 10 1 1 A 56 56 ASP HA H 56 4.700 4.995 -0.295 1
1 727 . 10 1 1 A 56 56 ASP C C 56 175.800 175.685 0.115 1
1 728 . 10 1 1 A 56 56 ASP CA C 56 53.400 53.672 -0.272 1
1 729 . 10 1 1 A 56 56 ASP CB C 56 40.500 41.493 -0.993 1
1 730 . 10 1 1 A 56 56 ASP N N 56 119.000 120.548 -1.548 1
1 731 . 10 1 1 A 57 57 LYS H H 57 7.780 7.302 0.478 1
1 732 . 10 1 1 A 57 57 LYS HA H 57 4.400 4.502 -0.102 1
1 741 . 10 1 1 A 57 57 LYS C C 57 175.700 176.318 -0.618 1
1 742 . 10 1 1 A 57 57 LYS CA C 57 55.600 55.949 -0.349 1
1 743 . 10 1 1 A 57 57 LYS CB C 57 33.700 33.521 0.179 1
1 747 . 10 1 1 A 57 57 LYS N N 57 119.500 118.197 1.303 1
1 748 . 10 1 1 A 58 58 ARG H H 58 8.410 8.605 -0.195 1
1 749 . 10 1 1 A 58 58 ARG HA H 58 4.740 4.652 0.088 1
1 757 . 10 1 1 A 58 58 ARG C C 58 176.200 176.186 0.014 1
1 758 . 10 1 1 A 58 58 ARG CA C 58 55.300 55.800 -0.500 1
1 759 . 10 1 1 A 58 58 ARG CB C 58 31.700 31.196 0.504 1
1 763 . 10 1 1 A 58 58 ARG N N 58 120.900 122.408 -1.508 1
1 765 . 10 1 1 A 59 59 VAL H H 59 9.030 8.643 0.387 1
1 766 . 10 1 1 A 59 59 VAL HA H 59 4.570 4.831 -0.261 1
1 774 . 10 1 1 A 59 59 VAL C C 59 173.900 173.911 -0.011 1
1 775 . 10 1 1 A 59 59 VAL CA C 59 58.700 58.691 0.009 1
1 776 . 10 1 1 A 59 59 VAL CB C 59 34.700 35.639 -0.939 1
1 779 . 10 1 1 A 59 59 VAL N N 59 115.600 118.404 -2.804 1
1 780 . 10 1 1 A 60 60 ASP H H 60 8.290 8.406 -0.116 1
1 781 . 10 1 1 A 60 60 ASP HA H 60 5.560 5.172 0.388 1
1 784 . 10 1 1 A 60 60 ASP C C 60 175.800 175.759 0.041 1
1 785 . 10 1 1 A 60 60 ASP CA C 60 53.600 53.892 -0.292 1
1 786 . 10 1 1 A 60 60 ASP CB C 60 43.100 42.545 0.555 1
1 787 . 10 1 1 A 60 60 ASP N N 60 120.700 122.186 -1.486 1
1 788 . 10 1 1 A 61 61 VAL H H 61 9.080 8.761 0.319 1
1 789 . 10 1 1 A 61 61 VAL HA H 61 5.150 5.214 -0.064 1
1 797 . 10 1 1 A 61 61 VAL C C 61 173.800 174.234 -0.434 1
1 798 . 10 1 1 A 61 61 VAL CA C 61 57.600 59.082 -1.482 1
1 799 . 10 1 1 A 61 61 VAL CB C 61 35.500 35.788 -0.288 1
1 802 . 10 1 1 A 61 61 VAL N N 61 115.200 118.022 -2.822 1
1 803 . 10 1 1 A 62 62 ILE H H 62 8.530 8.393 0.137 1
1 804 . 10 1 1 A 62 62 ILE HA H 62 5.550 5.011 0.539 1
1 814 . 10 1 1 A 62 62 ILE CA C 62 57.800 58.576 -0.776 1
1 815 . 10 1 1 A 62 62 ILE CB C 62 41.700 41.590 0.110 1
1 819 . 10 1 1 A 62 62 ILE N N 62 112.000 119.373 -7.373 1
1 820 . 10 1 1 A 64 64 LEU HA H 64 4.960 5.126 -0.166 1
1 830 . 10 1 1 A 64 64 LEU C C 64 173.100 173.995 -0.895 1
1 831 . 10 1 1 A 64 64 LEU CA C 64 53.500 54.156 -0.656 1
1 832 . 10 1 1 A 64 64 LEU CB C 64 47.000 46.136 0.864 1
1 836 . 10 1 1 A 65 65 LYS H H 65 8.470 9.050 -0.580 1
1 837 . 10 1 1 A 65 65 LYS HA H 65 3.760 4.725 -0.965 1
1 846 . 10 1 1 A 65 65 LYS C C 65 175.100 176.177 -1.077 1
1 847 . 10 1 1 A 65 65 LYS CA C 65 55.700 56.045 -0.345 1
1 848 . 10 1 1 A 65 65 LYS CB C 65 33.600 33.307 0.293 1
1 852 . 10 1 1 A 65 65 LYS N N 65 126.700 128.825 -2.125 1
1 853 . 10 1 1 A 66 66 VAL H H 66 7.840 8.665 -0.825 1
1 854 . 10 1 1 A 66 66 VAL HA H 66 4.410 4.794 -0.384 1
1 862 . 10 1 1 A 66 66 VAL C C 66 175.300 174.330 0.970 1
1 863 . 10 1 1 A 66 66 VAL CA C 66 58.300 58.913 -0.613 1
1 864 . 10 1 1 A 66 66 VAL CB C 66 36.400 36.019 0.381 1
1 867 . 10 1 1 A 66 66 VAL N N 66 116.000 118.897 -2.897 1
1 868 . 10 1 1 A 67 67 GLN H H 67 8.620 8.649 -0.029 1
1 869 . 10 1 1 A 67 67 GLN HA H 67 4.350 4.627 -0.277 1
1 876 . 10 1 1 A 67 67 GLN CA C 67 54.900 53.831 1.069 1
1 877 . 10 1 1 A 67 67 GLN CB C 67 27.600 28.311 -0.711 1
1 880 . 10 1 1 A 67 67 GLN N N 67 123.000 121.065 1.935 1
1 882 . 10 1 1 A 68 68 PRO HA H 68 4.200 4.294 -0.094 1
1 889 . 10 1 1 A 68 68 PRO C C 68 179.400 177.748 1.652 1
1 890 . 10 1 1 A 68 68 PRO CA C 68 65.100 65.349 -0.249 1
1 891 . 10 1 1 A 68 68 PRO CB C 68 31.700 31.871 -0.171 1
1 894 . 10 1 1 A 69 69 GLU H H 69 9.620 8.438 1.182 1
1 895 . 10 1 1 A 69 69 GLU HA H 69 4.190 4.160 0.030 1
1 900 . 10 1 1 A 69 69 GLU C C 69 177.100 178.010 -0.910 1
1 901 . 10 1 1 A 69 69 GLU CA C 69 58.600 58.988 -0.388 1
1 902 . 10 1 1 A 69 69 GLU CB C 69 28.100 29.750 -1.650 1
1 904 . 10 1 1 A 69 69 GLU N N 69 116.900 117.714 -0.814 1
1 905 . 10 1 1 A 70 70 LEU H H 70 7.940 7.755 0.185 1
1 906 . 10 1 1 A 70 70 LEU HA H 70 4.460 4.370 0.090 1
1 916 . 10 1 1 A 70 70 LEU C C 70 177.600 178.383 -0.783 1
1 917 . 10 1 1 A 70 70 LEU CA C 70 54.500 55.088 -0.588 1
1 918 . 10 1 1 A 70 70 LEU CB C 70 42.800 42.364 0.436 1
1 922 . 10 1 1 A 70 70 LEU N N 70 118.700 118.885 -0.185 1
1 923 . 10 1 1 A 71 71 VAL H H 71 7.080 8.224 -1.144 1
1 924 . 10 1 1 A 71 71 VAL HA H 71 3.210 3.745 -0.535 1
1 932 . 10 1 1 A 71 71 VAL C C 71 176.800 177.819 -1.019 1
1 933 . 10 1 1 A 71 71 VAL CA C 71 67.700 65.990 1.710 1
1 934 . 10 1 1 A 71 71 VAL CB C 71 32.000 31.256 0.744 1
1 937 . 10 1 1 A 71 71 VAL N N 71 120.300 119.929 0.371 1
1 938 . 10 1 1 A 72 72 GLY H H 72 8.540 8.245 0.295 1
1 939 . 10 1 1 A 72 72 GLY HA2 H 72 3.770 3.779 -0.009 1
1 940 . 10 1 1 A 72 72 GLY HA3 H 72 3.630 3.780 -0.150 1
1 941 . 10 1 1 A 72 72 GLY C C 72 176.300 176.003 0.297 1
1 942 . 10 1 1 A 72 72 GLY CA C 72 47.000 47.515 -0.515 1
1 943 . 10 1 1 A 72 72 GLY N N 72 105.300 109.117 -3.817 1
1 944 . 10 1 1 A 73 73 SER H H 73 7.870 8.217 -0.347 1
1 945 . 10 1 1 A 73 73 SER HA H 73 4.170 4.209 -0.039 1
1 948 . 10 1 1 A 73 73 SER C C 73 178.000 177.037 0.963 1
1 949 . 10 1 1 A 73 73 SER CA C 73 60.600 61.356 -0.756 1
1 950 . 10 1 1 A 73 73 SER CB C 73 62.700 62.851 -0.151 1
1 951 . 10 1 1 A 73 73 SER N N 73 115.700 116.742 -1.042 1
1 952 . 10 1 1 A 74 74 LEU H H 74 8.340 7.849 0.491 1
1 953 . 10 1 1 A 74 74 LEU HA H 74 4.000 4.139 -0.139 1
1 963 . 10 1 1 A 74 74 LEU C C 74 178.400 178.317 0.083 1
1 964 . 10 1 1 A 74 74 LEU CA C 74 57.900 57.518 0.382 1
1 965 . 10 1 1 A 74 74 LEU CB C 74 41.700 41.762 -0.062 1
1 969 . 10 1 1 A 74 74 LEU N N 74 124.600 122.432 2.168 1
1 970 . 10 1 1 A 75 75 ARG H H 75 7.850 8.664 -0.814 1
1 971 . 10 1 1 A 75 75 ARG HA H 75 3.750 3.974 -0.224 1
1 979 . 10 1 1 A 75 75 ARG C C 75 176.500 179.002 -2.502 1
1 980 . 10 1 1 A 75 75 ARG CA C 75 57.800 59.103 -1.303 1
1 981 . 10 1 1 A 75 75 ARG CB C 75 29.500 29.991 -0.491 1
1 985 . 10 1 1 A 75 75 ARG N N 75 113.300 119.217 -5.917 1
1 987 . 10 1 1 A 76 76 LYS H H 76 7.100 8.893 -1.793 1
1 988 . 10 1 1 A 76 76 LYS HA H 76 4.210 4.192 0.018 1
1 997 . 10 1 1 A 76 76 LYS C C 76 177.000 176.834 0.166 1
1 998 . 10 1 1 A 76 76 LYS CA C 76 56.500 58.305 -1.805 1
1 999 . 10 1 1 A 76 76 LYS CB C 76 32.700 31.731 0.969 1
1 1003 . 10 1 1 A 76 76 LYS N N 76 116.600 116.904 -0.304 1
1 1004 . 10 1 1 A 77 77 LYS H H 77 7.830 7.419 0.411 1
1 1005 . 10 1 1 A 77 77 LYS HA H 77 4.470 4.485 -0.015 1
1 1014 . 10 1 1 A 77 77 LYS CA C 77 54.500 54.083 0.417 1
1 1015 . 10 1 1 A 77 77 LYS CB C 77 31.800 31.952 -0.152 1
1 1019 . 10 1 1 A 77 77 LYS N N 77 122.900 122.015 0.885 1
1 1020 . 10 1 1 A 78 78 PRO HA H 78 4.190 4.167 0.023 1
1 1027 . 10 1 1 A 78 78 PRO C C 78 176.600 177.243 -0.643 1
1 1028 . 10 1 1 A 78 78 PRO CA C 78 63.700 63.572 0.128 1
1 1029 . 10 1 1 A 78 78 PRO CB C 78 31.900 31.635 0.265 1
1 1032 . 10 1 1 A 79 79 GLY H H 79 8.290 8.653 -0.363 1
1 1033 . 10 1 1 A 79 79 GLY HA2 H 79 4.350 3.913 0.437 1
1 1034 . 10 1 1 A 79 79 GLY HA3 H 79 3.590 4.003 -0.413 1
1 1035 . 10 1 1 A 79 79 GLY C C 79 172.000 174.084 -2.084 1
1 1036 . 10 1 1 A 79 79 GLY CA C 79 45.500 45.322 0.178 1
1 1037 . 10 1 1 A 79 79 GLY N N 79 109.300 111.113 -1.813 1
1 1038 . 10 1 1 A 80 80 ILE H H 80 7.300 7.165 0.135 1
1 1039 . 10 1 1 A 80 80 ILE HA H 80 4.770 4.169 0.601 1
1 1049 . 10 1 1 A 80 80 ILE C C 80 174.200 174.883 -0.683 1
1 1050 . 10 1 1 A 80 80 ILE CA C 80 60.500 61.191 -0.691 1
1 1051 . 10 1 1 A 80 80 ILE CB C 80 37.000 38.116 -1.116 1
1 1055 . 10 1 1 A 80 80 ILE N N 80 119.200 121.984 -2.784 1
1 1056 . 10 1 1 A 81 81 TYR H H 81 9.490 8.615 0.875 1
1 1057 . 10 1 1 A 81 81 TYR HA H 81 4.840 4.974 -0.134 1
1 1064 . 10 1 1 A 81 81 TYR CA C 81 56.800 55.887 0.913 1
1 1065 . 10 1 1 A 81 81 TYR CB C 81 39.800 40.704 -0.904 1
1 1070 . 10 1 1 A 81 81 TYR N N 81 126.100 126.949 -0.849 1
1 1071 . 10 1 1 A 82 82 PRO HA H 82 4.610 4.587 0.023 1
1 1078 . 10 1 1 A 82 82 PRO CA C 82 62.300 63.051 -0.751 1
1 1079 . 10 1 1 A 82 82 PRO CB C 82 32.000 31.968 0.032 1
1 1082 . 10 1 1 A 83 83 ALA HA H 83 4.140 4.542 -0.402 1
1 1086 . 10 1 1 A 84 84 TYR HA H 84 4.470 4.700 -0.230 1
1 1093 . 10 1 1 A 84 84 TYR CA C 84 57.500 57.743 -0.243 1
1 1094 . 10 1 1 A 84 84 TYR CB C 84 39.500 38.732 0.768 1
1 1099 . 10 1 1 A 87 87 ASN HA H 87 4.410 4.665 -0.255 1
1 1104 . 10 1 1 A 87 87 ASN C C 87 176.500 174.791 1.709 1
1 1105 . 10 1 1 A 87 87 ASN CA C 87 55.100 53.622 1.478 1
1 1106 . 10 1 1 A 87 87 ASN CB C 87 40.600 38.443 2.157 1
1 1109 . 10 1 1 A 88 88 LYS H H 88 8.710 8.443 0.267 1
1 1110 . 10 1 1 A 88 88 LYS HA H 88 4.320 4.554 -0.234 1
1 1119 . 10 1 1 A 88 88 LYS C C 88 177.600 177.659 -0.059 1
1 1120 . 10 1 1 A 88 88 LYS CA C 88 58.100 56.858 1.242 1
1 1121 . 10 1 1 A 88 88 LYS CB C 88 33.000 36.053 -3.053 1
1 1125 . 10 1 1 A 88 88 LYS N N 88 123.800 120.844 2.956 1
1 1126 . 10 1 1 A 89 89 GLU H H 89 8.390 8.285 0.105 1
1 1127 . 10 1 1 A 89 89 GLU HA H 89 4.270 4.299 -0.029 1
1 1132 . 10 1 1 A 89 89 GLU C C 89 176.500 178.570 -2.070 1
1 1133 . 10 1 1 A 89 89 GLU CA C 89 57.800 57.353 0.447 1
1 1134 . 10 1 1 A 89 89 GLU CB C 89 30.100 30.232 -0.132 1
1 1136 . 10 1 1 A 89 89 GLU N N 89 117.000 118.749 -1.749 1
1 1137 . 10 1 1 A 90 90 HIS H H 90 7.600 7.492 0.108 1
1 1138 . 10 1 1 A 90 90 HIS HA H 90 4.580 4.188 0.392 1
1 1142 . 10 1 1 A 90 90 HIS C C 90 170.800 174.464 -3.664 1
1 1143 . 10 1 1 A 90 90 HIS CA C 90 55.500 58.576 -3.076 1
1 1144 . 10 1 1 A 90 90 HIS CB C 90 32.200 29.841 2.359 1
1 1145 . 10 1 1 A 90 90 HIS N N 90 111.500 115.129 -3.629 1
1 1146 . 10 1 1 A 91 91 TRP H H 91 7.650 7.562 0.088 1
1 1147 . 10 1 1 A 91 91 TRP HA H 91 5.610 5.564 0.046 1
1 1156 . 10 1 1 A 91 91 TRP C C 91 174.600 176.007 -1.407 1
1 1157 . 10 1 1 A 91 91 TRP CA C 91 55.500 56.069 -0.569 1
1 1158 . 10 1 1 A 91 91 TRP CB C 91 31.700 32.319 -0.619 1
1 1163 . 10 1 1 A 91 91 TRP N N 91 117.400 116.658 0.742 1
1 1165 . 10 1 1 A 92 92 ILE H H 92 9.100 9.630 -0.530 1
1 1166 . 10 1 1 A 92 92 ILE HA H 92 4.630 5.048 -0.418 1
1 1176 . 10 1 1 A 92 92 ILE C C 92 174.500 175.502 -1.002 1
1 1177 . 10 1 1 A 92 92 ILE CA C 92 59.800 59.782 0.018 1
1 1178 . 10 1 1 A 92 92 ILE CB C 92 42.500 41.449 1.051 1
1 1182 . 10 1 1 A 92 92 ILE N N 92 111.700 123.084 -11.384 1
1 1183 . 10 1 1 A 93 93 THR H H 93 8.570 8.406 0.164 1
1 1184 . 10 1 1 A 93 93 THR HA H 93 4.250 5.223 -0.973 1
1 1190 . 10 1 1 A 93 93 THR CA C 93 61.800 60.694 1.106 1
1 1191 . 10 1 1 A 93 93 THR CB C 93 70.200 70.539 -0.339 1
1 1193 . 10 1 1 A 93 93 THR N N 93 117.600 115.344 2.256 1
1 1194 . 10 1 1 A 94 94 VAL HA H 94 4.680 4.891 -0.211 1
1 1202 . 10 1 1 A 94 94 VAL C C 94 175.400 174.926 0.474 1
1 1203 . 10 1 1 A 94 94 VAL CA C 94 60.700 60.694 0.006 1
1 1204 . 10 1 1 A 94 94 VAL CB C 94 34.100 34.499 -0.399 1
1 1207 . 10 1 1 A 95 95 LEU H H 95 8.080 8.584 -0.504 1
1 1208 . 10 1 1 A 95 95 LEU HA H 95 4.330 4.577 -0.247 1
1 1218 . 10 1 1 A 95 95 LEU C C 95 176.400 176.104 0.296 1
1 1219 . 10 1 1 A 95 95 LEU CA C 95 55.000 54.480 0.520 1
1 1220 . 10 1 1 A 95 95 LEU CB C 95 44.300 42.017 2.283 1
1 1224 . 10 1 1 A 95 95 LEU N N 95 127.500 127.725 -0.225 1
1 1225 . 10 1 1 A 96 96 LEU H H 96 8.050 8.258 -0.208 1
1 1226 . 10 1 1 A 96 96 LEU HA H 96 4.150 4.004 0.146 1
1 1236 . 10 1 1 A 96 96 LEU C C 96 177.400 178.329 -0.929 1
1 1237 . 10 1 1 A 96 96 LEU CA C 96 56.500 58.149 -1.649 1
1 1238 . 10 1 1 A 96 96 LEU CB C 96 40.500 41.495 -0.995 1
1 1242 . 10 1 1 A 96 96 LEU N N 96 128.100 127.066 1.034 1
1 1243 . 10 1 1 A 97 97 ASN H H 97 8.690 8.108 0.582 1
1 1244 . 10 1 1 A 97 97 ASN HA H 97 4.740 4.625 0.115 1
1 1249 . 10 1 1 A 97 97 ASN C C 97 174.900 176.557 -1.657 1
1 1250 . 10 1 1 A 97 97 ASN CA C 97 53.000 55.415 -2.415 1
1 1251 . 10 1 1 A 97 97 ASN CB C 97 37.700 38.568 -0.868 1
1 1252 . 10 1 1 A 97 97 ASN N N 97 117.200 116.390 0.810 1
1 1254 . 10 1 1 A 98 98 GLY H H 98 7.820 7.877 -0.057 1
1 1255 . 10 1 1 A 98 98 GLY HA2 H 98 4.470 4.115 0.355 1
1 1256 . 10 1 1 A 98 98 GLY HA3 H 98 3.740 4.127 -0.387 1
1 1257 . 10 1 1 A 98 98 GLY C C 98 174.900 174.729 0.171 1
1 1258 . 10 1 1 A 98 98 GLY CA C 98 44.900 44.327 0.573 1
1 1259 . 10 1 1 A 98 98 GLY N N 98 108.600 108.012 0.588 1
1 1260 . 10 1 1 A 99 99 PRO HA H 99 4.380 4.584 -0.204 1
1 1267 . 10 1 1 A 99 99 PRO C C 99 177.400 176.315 1.085 1
1 1268 . 10 1 1 A 99 99 PRO CA C 99 63.900 63.650 0.250 1
1 1269 . 10 1 1 A 99 99 PRO CB C 99 32.400 32.204 0.196 1
1 1272 . 10 1 1 A 100 100 LEU H H 100 7.750 7.496 0.254 1
1 1273 . 10 1 1 A 100 100 LEU HA H 100 4.280 4.206 0.074 1
1 1283 . 10 1 1 A 100 100 LEU C C 100 177.400 176.834 0.566 1
1 1284 . 10 1 1 A 100 100 LEU CA C 100 55.800 54.828 0.972 1
1 1285 . 10 1 1 A 100 100 LEU CB C 100 42.600 42.373 0.227 1
1 1289 . 10 1 1 A 100 100 LEU N N 100 120.300 120.450 -0.150 1
1 1290 . 10 1 1 A 101 101 GLY H H 101 8.620 8.449 0.171 1
1 1291 . 10 1 1 A 101 101 GLY HA2 H 101 4.110 4.109 0.001 1
1 1292 . 10 1 1 A 101 101 GLY HA3 H 101 3.890 4.114 -0.224 1
1 1293 . 10 1 1 A 101 101 GLY C C 101 173.600 174.757 -1.157 1
1 1294 . 10 1 1 A 101 101 GLY CA C 101 44.300 44.410 -0.110 1
1 1295 . 10 1 1 A 101 101 GLY N N 101 110.600 110.525 0.075 1
1 1296 . 10 1 1 A 102 102 ALA H H 102 8.310 8.933 -0.623 1
1 1297 . 10 1 1 A 102 102 ALA HA H 102 3.520 3.758 -0.238 1
1 1301 . 10 1 1 A 102 102 ALA C C 102 178.900 179.331 -0.431 1
1 1302 . 10 1 1 A 102 102 ALA CA C 102 55.400 54.744 0.656 1
1 1303 . 10 1 1 A 102 102 ALA CB C 102 18.600 18.197 0.403 1
1 1304 . 10 1 1 A 102 102 ALA N N 102 122.000 124.217 -2.217 1
1 1305 . 10 1 1 A 103 103 LYS H H 103 8.360 7.913 0.447 1
1 1306 . 10 1 1 A 103 103 LYS HA H 103 3.730 3.847 -0.117 1
1 1315 . 10 1 1 A 103 103 LYS C C 103 179.400 179.537 -0.137 1
1 1316 . 10 1 1 A 103 103 LYS CA C 103 60.000 59.420 0.580 1
1 1317 . 10 1 1 A 103 103 LYS CB C 103 31.900 32.096 -0.196 1
1 1321 . 10 1 1 A 103 103 LYS N N 103 116.500 117.204 -0.704 1
1 1322 . 10 1 1 A 104 104 GLU H H 104 7.890 8.028 -0.138 1
1 1323 . 10 1 1 A 104 104 GLU HA H 104 4.080 4.052 0.028 1
1 1328 . 10 1 1 A 104 104 GLU C C 104 179.300 179.510 -0.210 1
1 1329 . 10 1 1 A 104 104 GLU CA C 104 59.500 59.029 0.471 1
1 1330 . 10 1 1 A 104 104 GLU CB C 104 29.100 29.666 -0.566 1
1 1332 . 10 1 1 A 104 104 GLU N N 104 120.000 120.190 -0.190 1
1 1333 . 10 1 1 A 105 105 ILE H H 105 8.170 8.063 0.107 1
1 1334 . 10 1 1 A 105 105 ILE HA H 105 3.520 3.672 -0.152 1
1 1344 . 10 1 1 A 105 105 ILE C C 105 178.100 178.160 -0.060 1
1 1345 . 10 1 1 A 105 105 ILE CA C 105 66.700 65.312 1.388 1
1 1346 . 10 1 1 A 105 105 ILE CB C 105 37.700 37.696 0.004 1
1 1350 . 10 1 1 A 105 105 ILE N N 105 119.500 120.328 -0.828 1
1 1351 . 10 1 1 A 106 106 HIS H H 106 8.930 8.151 0.779 1
1 1352 . 10 1 1 A 106 106 HIS HA H 106 4.230 4.060 0.170 1
1 1356 . 10 1 1 A 106 106 HIS C C 106 178.000 177.873 0.127 1
1 1357 . 10 1 1 A 106 106 HIS CA C 106 57.600 59.776 -2.176 1
1 1358 . 10 1 1 A 106 106 HIS CB C 106 28.400 29.606 -1.206 1
1 1360 . 10 1 1 A 106 106 HIS N N 106 116.700 120.163 -3.463 1
1 1361 . 10 1 1 A 107 107 SER H H 107 8.060 8.459 -0.399 1
1 1362 . 10 1 1 A 107 107 SER HA H 107 4.310 4.256 0.054 1
1 1365 . 10 1 1 A 107 107 SER C C 107 175.900 177.856 -1.956 1
1 1366 . 10 1 1 A 107 107 SER CA C 107 62.200 61.788 0.412 1
1 1367 . 10 1 1 A 107 107 SER CB C 107 62.500 62.369 0.131 1
1 1368 . 10 1 1 A 107 107 SER N N 107 117.000 116.434 0.566 1
1 1369 . 10 1 1 A 108 108 LEU H H 108 7.950 8.195 -0.245 1
1 1370 . 10 1 1 A 108 108 LEU HA H 108 4.180 4.048 0.132 1
1 1380 . 10 1 1 A 108 108 LEU C C 108 180.600 179.027 1.573 1
1 1381 . 10 1 1 A 108 108 LEU CA C 108 57.900 58.038 -0.138 1
1 1382 . 10 1 1 A 108 108 LEU CB C 108 42.500 41.850 0.650 1
1 1386 . 10 1 1 A 108 108 LEU N N 108 121.800 122.678 -0.878 1
1 1387 . 10 1 1 A 109 109 ILE H H 109 8.730 8.335 0.395 1
1 1388 . 10 1 1 A 109 109 ILE HA H 109 3.830 3.611 0.219 1
1 1398 . 10 1 1 A 109 109 ILE C C 109 176.800 178.244 -1.444 1
1 1399 . 10 1 1 A 109 109 ILE CA C 109 65.800 65.900 -0.100 1
1 1400 . 10 1 1 A 109 109 ILE CB C 109 38.600 37.776 0.824 1
1 1404 . 10 1 1 A 109 109 ILE N N 109 120.200 120.100 0.100 1
1 1405 . 10 1 1 A 110 110 GLU H H 110 7.960 8.627 -0.667 1
1 1406 . 10 1 1 A 110 110 GLU HA H 110 4.280 3.982 0.298 1
1 1411 . 10 1 1 A 110 110 GLU C C 110 178.500 178.581 -0.081 1
1 1412 . 10 1 1 A 110 110 GLU CA C 110 58.800 60.065 -1.265 1
1 1413 . 10 1 1 A 110 110 GLU CB C 110 28.200 29.393 -1.193 1
1 1415 . 10 1 1 A 110 110 GLU N N 110 120.800 121.489 -0.689 1
1 1416 . 10 1 1 A 111 111 ASP H H 111 8.290 8.020 0.270 1
1 1417 . 10 1 1 A 111 111 ASP HA H 111 4.470 4.665 -0.195 1
1 1420 . 10 1 1 A 111 111 ASP C C 111 178.200 178.611 -0.411 1
1 1421 . 10 1 1 A 111 111 ASP CA C 111 57.100 57.176 -0.076 1
1 1422 . 10 1 1 A 111 111 ASP CB C 111 39.300 40.158 -0.858 1
1 1423 . 10 1 1 A 111 111 ASP N N 111 119.200 120.758 -1.558 1
1 1424 . 10 1 1 A 112 112 SER H H 112 7.800 7.927 -0.127 1
1 1425 . 10 1 1 A 112 112 SER HA H 112 4.200 4.279 -0.079 1
1 1428 . 10 1 1 A 112 112 SER C C 112 178.600 176.806 1.794 1
1 1429 . 10 1 1 A 112 112 SER CA C 112 61.200 61.245 -0.045 1
1 1430 . 10 1 1 A 112 112 SER CB C 112 64.200 63.123 1.077 1
1 1431 . 10 1 1 A 112 112 SER N N 112 114.700 115.306 -0.606 1
1 1432 . 10 1 1 A 113 113 PHE H H 113 9.160 8.335 0.825 1
1 1433 . 10 1 1 A 113 113 PHE HA H 113 3.210 4.430 -1.220 1
1 1436 . 10 1 1 A 113 113 PHE C C 113 178.100 177.929 0.171 1
1 1437 . 10 1 1 A 113 113 PHE CA C 113 62.900 61.835 1.065 1
1 1438 . 10 1 1 A 113 113 PHE CB C 113 39.100 39.374 -0.274 1
1 1439 . 10 1 1 A 113 113 PHE N N 113 121.400 123.062 -1.662 1
1 1440 . 10 1 1 A 114 114 GLN H H 114 8.870 8.027 0.843 1
1 1441 . 10 1 1 A 114 114 GLN HA H 114 4.000 3.821 0.179 1
1 1448 . 10 1 1 A 114 114 GLN C C 114 179.700 179.466 0.234 1
1 1449 . 10 1 1 A 114 114 GLN CA C 114 58.300 58.846 -0.546 1
1 1450 . 10 1 1 A 114 114 GLN CB C 114 27.600 27.827 -0.227 1
1 1453 . 10 1 1 A 114 114 GLN N N 114 116.800 118.342 -1.542 1
1 1455 . 10 1 1 A 115 115 LEU H H 115 8.570 7.873 0.697 1
1 1456 . 10 1 1 A 115 115 LEU HA H 115 4.090 4.015 0.075 1
1 1466 . 10 1 1 A 115 115 LEU C C 115 178.600 177.883 0.717 1
1 1467 . 10 1 1 A 115 115 LEU CA C 115 57.300 57.830 -0.530 1
1 1468 . 10 1 1 A 115 115 LEU CB C 115 43.200 41.892 1.308 1
1 1472 . 10 1 1 A 115 115 LEU N N 115 119.800 120.149 -0.349 1
1 1473 . 10 1 1 A 116 116 THR H H 116 7.240 7.870 -0.630 1
1 1474 . 10 1 1 A 116 116 THR HA H 116 4.270 4.300 -0.030 1
1 1480 . 10 1 1 A 116 116 THR C C 116 173.200 174.270 -1.070 1
1 1481 . 10 1 1 A 116 116 THR CA C 116 60.700 62.295 -1.595 1
1 1482 . 10 1 1 A 116 116 THR CB C 116 70.800 69.176 1.624 1
1 1484 . 10 1 1 A 116 116 THR N N 116 104.900 109.091 -4.191 1
1 1485 . 10 1 1 A 117 117 ARG H H 117 6.840 7.414 -0.574 1
1 1486 . 10 1 1 A 117 117 ARG HA H 117 3.060 3.943 -0.883 1
1 1494 . 10 1 1 A 117 117 ARG C C 117 175.200 175.760 -0.560 1
1 1495 . 10 1 1 A 117 117 ARG CA C 117 55.900 54.796 1.104 1
1 1496 . 10 1 1 A 117 117 ARG CB C 117 31.100 28.441 2.659 1
1 1500 . 10 1 1 A 117 117 ARG N N 117 120.900 123.019 -2.119 1
1 1502 . 10 1 1 A 118 118 LEU H H 118 8.380 8.556 -0.176 1
1 1503 . 10 1 1 A 118 118 LEU HA H 118 4.100 4.053 0.047 1
1 1513 . 10 1 1 A 118 118 LEU C C 118 176.500 175.199 1.301 1
1 1514 . 10 1 1 A 118 118 LEU CA C 118 55.300 56.841 -1.541 1
1 1515 . 10 1 1 A 118 118 LEU CB C 118 42.400 40.720 1.680 1
1 1519 . 10 1 1 A 118 118 LEU N N 118 122.600 117.345 5.255 1
1 1520 . 10 1 1 A 119 119 GLU H H 119 8.330 8.525 -0.195 1
1 1521 . 10 1 1 A 119 119 GLU HA H 119 4.160 4.400 -0.240 1
1 1526 . 10 1 1 A 119 119 GLU C C 119 175.800 175.982 -0.182 1
1 1527 . 10 1 1 A 119 119 GLU CA C 119 56.000 55.081 0.919 1
1 1528 . 10 1 1 A 119 119 GLU CB C 119 30.300 31.072 -0.772 1
1 1530 . 10 1 1 A 119 119 GLU N N 119 124.000 120.520 3.480 1
1 1531 . 10 1 1 A 120 120 HIS H H 120 8.520 8.769 -0.249 1
1 1532 . 10 1 1 A 120 120 HIS HA H 120 4.620 4.121 0.499 1
1 1535 . 10 1 1 A 120 120 HIS C C 120 174.000 174.203 -0.203 1
1 1536 . 10 1 1 A 120 120 HIS CA C 120 55.300 56.545 -1.245 1
1 1537 . 10 1 1 A 120 120 HIS CB C 120 29.300 28.031 1.269 1
1 1538 . 10 1 1 A 120 120 HIS N N 120 120.100 119.734 0.366 1
1 1539 . 10 1 1 A 121 121 HIS H H 121 8.580 8.029 0.551 1
1 1540 . 10 1 1 A 121 121 HIS HA H 121 4.620 4.380 0.240 1
1 1543 . 10 1 1 A 121 121 HIS C C 121 173.500 174.326 -0.826 1
1 1544 . 10 1 1 A 121 121 HIS CA C 121 55.300 55.138 0.162 1
1 1545 . 10 1 1 A 121 121 HIS CB C 121 29.200 30.053 -0.853 1
1 1546 . 10 1 1 A 121 121 HIS N N 121 120.800 123.301 -2.501 1
1 1547 . 10 1 1 A 122 122 HIS H H 122 8.400 8.292 0.108 1
1 1548 . 10 1 1 A 122 122 HIS HA H 122 4.620 4.336 0.284 1
1 1551 . 10 1 1 A 122 122 HIS CA C 122 55.300 55.910 -0.610 1
1 1552 . 10 1 1 A 122 122 HIS CB C 122 29.200 29.537 -0.337 1
1 1553 . 10 1 1 A 122 122 HIS N N 122 125.700 120.951 4.749 1
1 1554 . 10 1 1 A 123 123 HIS H H 123 8.690 8.611 0.079 1
1 1555 . 10 1 1 A 123 123 HIS HA H 123 4.640 4.715 -0.075 1
1 1558 . 10 1 1 A 123 123 HIS C C 123 174.100 174.733 -0.633 1
1 1559 . 10 1 1 A 123 123 HIS CA C 123 55.300 55.634 -0.334 1
1 1560 . 10 1 1 A 123 123 HIS CB C 123 29.300 33.743 -4.443 1
1 1561 . 10 1 1 A 123 123 HIS N N 123 120.200 123.915 -3.715 1
1 1562 . 10 1 1 A 124 124 HIS H H 124 8.710 8.319 0.391 1
1 1563 . 10 1 1 A 124 124 HIS HA H 124 4.640 4.042 0.598 1
1 1566 . 10 1 1 A 124 124 HIS C C 124 174.200 174.258 -0.058 1
1 1567 . 10 1 1 A 124 124 HIS CA C 124 55.300 57.999 -2.699 1
1 1568 . 10 1 1 A 124 124 HIS CB C 124 29.300 29.369 -0.069 1
1 14 . 11 1 1 A 2 2 ASN H H 2 8.500 8.632 -0.132 1
1 15 . 11 1 1 A 2 2 ASN HA H 2 4.990 5.191 -0.201 1
1 20 . 11 1 1 A 2 2 ASN C C 2 175.600 175.892 -0.292 1
1 21 . 11 1 1 A 2 2 ASN CA C 2 51.000 51.883 -0.883 1
1 22 . 11 1 1 A 2 2 ASN CB C 2 40.000 40.810 -0.810 1
1 24 . 11 1 1 A 2 2 ASN N N 2 122.000 122.889 -0.889 1
1 26 . 11 1 1 A 3 3 ARG H H 3 8.950 9.091 -0.141 1
1 27 . 11 1 1 A 3 3 ARG HA H 3 3.850 3.997 -0.147 1
1 35 . 11 1 1 A 3 3 ARG C C 3 175.600 177.709 -2.109 1
1 36 . 11 1 1 A 3 3 ARG CA C 3 60.400 59.771 0.629 1
1 37 . 11 1 1 A 3 3 ARG CB C 3 30.900 29.994 0.906 1
1 41 . 11 1 1 A 3 3 ARG N N 3 117.600 125.973 -8.373 1
1 43 . 11 1 1 A 4 4 GLN H H 4 8.370 8.081 0.289 1
1 44 . 11 1 1 A 4 4 GLN HA H 4 3.900 4.070 -0.170 1
1 51 . 11 1 1 A 4 4 GLN C C 4 178.300 178.406 -0.106 1
1 52 . 11 1 1 A 4 4 GLN CA C 4 58.900 59.403 -0.503 1
1 53 . 11 1 1 A 4 4 GLN CB C 4 28.200 28.223 -0.023 1
1 56 . 11 1 1 A 4 4 GLN N N 4 120.700 118.586 2.114 1
1 58 . 11 1 1 A 5 5 GLN H H 5 8.670 8.136 0.534 1
1 59 . 11 1 1 A 5 5 GLN HA H 5 4.190 4.148 0.042 1
1 66 . 11 1 1 A 5 5 GLN C C 5 180.000 178.514 1.486 1
1 67 . 11 1 1 A 5 5 GLN CA C 5 58.500 58.994 -0.494 1
1 68 . 11 1 1 A 5 5 GLN CB C 5 28.900 28.471 0.429 1
1 71 . 11 1 1 A 5 5 GLN N N 5 117.700 118.674 -0.974 1
1 73 . 11 1 1 A 6 6 PHE H H 6 8.270 7.948 0.322 1
1 74 . 11 1 1 A 6 6 PHE HA H 6 4.130 4.195 -0.065 1
1 82 . 11 1 1 A 6 6 PHE C C 6 175.500 177.354 -1.854 1
1 83 . 11 1 1 A 6 6 PHE CA C 6 62.700 61.260 1.440 1
1 84 . 11 1 1 A 6 6 PHE CB C 6 39.000 39.335 -0.335 1
1 90 . 11 1 1 A 6 6 PHE N N 6 121.200 121.711 -0.511 1
1 91 . 11 1 1 A 7 7 ILE H H 7 8.390 8.115 0.275 1
1 92 . 11 1 1 A 7 7 ILE HA H 7 3.280 3.612 -0.332 1
1 102 . 11 1 1 A 7 7 ILE C C 7 178.900 177.543 1.357 1
1 103 . 11 1 1 A 7 7 ILE CA C 7 66.400 65.425 0.975 1
1 104 . 11 1 1 A 7 7 ILE CB C 7 38.500 38.051 0.449 1
1 108 . 11 1 1 A 7 7 ILE N N 7 121.000 120.991 0.009 1
1 109 . 11 1 1 A 8 8 ASP H H 8 8.710 8.036 0.674 1
1 110 . 11 1 1 A 8 8 ASP HA H 8 4.370 4.298 0.072 1
1 113 . 11 1 1 A 8 8 ASP C C 8 178.000 178.399 -0.399 1
1 114 . 11 1 1 A 8 8 ASP CA C 8 57.300 57.556 -0.256 1
1 115 . 11 1 1 A 8 8 ASP CB C 8 40.600 39.807 0.793 1
1 116 . 11 1 1 A 8 8 ASP N N 8 119.800 119.667 0.133 1
1 117 . 11 1 1 A 9 9 TYR H H 9 8.060 8.571 -0.511 1
1 118 . 11 1 1 A 9 9 TYR HA H 9 4.000 4.023 -0.023 1
1 125 . 11 1 1 A 9 9 TYR C C 9 176.500 177.493 -0.993 1
1 126 . 11 1 1 A 9 9 TYR CA C 9 61.700 61.613 0.087 1
1 127 . 11 1 1 A 9 9 TYR CB C 9 38.600 38.286 0.314 1
1 132 . 11 1 1 A 9 9 TYR N N 9 121.600 122.773 -1.173 1
1 133 . 11 1 1 A 10 10 ALA H H 10 8.340 8.394 -0.054 1
1 134 . 11 1 1 A 10 10 ALA HA H 10 3.730 3.876 -0.146 1
1 138 . 11 1 1 A 10 10 ALA C C 10 180.200 179.313 0.887 1
1 139 . 11 1 1 A 10 10 ALA CA C 10 55.200 55.242 -0.042 1
1 140 . 11 1 1 A 10 10 ALA CB C 10 17.300 17.584 -0.284 1
1 141 . 11 1 1 A 10 10 ALA N N 10 120.700 121.656 -0.956 1
1 142 . 11 1 1 A 11 11 GLN H H 11 7.830 7.942 -0.112 1
1 143 . 11 1 1 A 11 11 GLN HA H 11 4.130 4.052 0.078 1
1 150 . 11 1 1 A 11 11 GLN C C 11 178.300 178.202 0.098 1
1 151 . 11 1 1 A 11 11 GLN CA C 11 59.200 58.461 0.739 1
1 152 . 11 1 1 A 11 11 GLN CB C 11 28.600 27.873 0.727 1
1 155 . 11 1 1 A 11 11 GLN N N 11 116.600 116.358 0.242 1
1 157 . 11 1 1 A 12 12 LYS H H 12 8.040 7.755 0.285 1
1 158 . 11 1 1 A 12 12 LYS HA H 12 3.890 3.857 0.033 1
1 167 . 11 1 1 A 12 12 LYS C C 12 178.200 178.430 -0.230 1
1 168 . 11 1 1 A 12 12 LYS CA C 12 58.800 59.525 -0.725 1
1 169 . 11 1 1 A 12 12 LYS CB C 12 32.700 32.392 0.308 1
1 173 . 11 1 1 A 12 12 LYS N N 12 119.300 119.475 -0.175 1
1 174 . 11 1 1 A 13 13 LYS H H 13 8.440 7.499 0.941 1
1 175 . 11 1 1 A 13 13 LYS HA H 13 3.610 3.863 -0.253 1
1 184 . 11 1 1 A 13 13 LYS C C 13 177.600 176.373 1.227 1
1 185 . 11 1 1 A 13 13 LYS CA C 13 56.900 57.137 -0.237 1
1 186 . 11 1 1 A 13 13 LYS CB C 13 32.000 32.368 -0.368 1
1 190 . 11 1 1 A 13 13 LYS N N 13 117.700 117.859 -0.159 1
1 191 . 11 1 1 A 14 14 TYR H H 14 6.780 7.477 -0.697 1
1 192 . 11 1 1 A 14 14 TYR HA H 14 4.530 4.570 -0.040 1
1 199 . 11 1 1 A 14 14 TYR C C 14 175.800 174.718 1.082 1
1 200 . 11 1 1 A 14 14 TYR CA C 14 56.600 57.908 -1.308 1
1 201 . 11 1 1 A 14 14 TYR CB C 14 39.500 40.110 -0.610 1
1 206 . 11 1 1 A 14 14 TYR N N 14 113.100 116.833 -3.733 1
1 207 . 11 1 1 A 15 15 ASP H H 15 7.620 8.755 -1.135 1
1 208 . 11 1 1 A 15 15 ASP HA H 15 4.810 4.216 0.594 1
1 211 . 11 1 1 A 15 15 ASP C C 15 175.200 174.694 0.506 1
1 212 . 11 1 1 A 15 15 ASP CA C 15 55.100 55.093 0.007 1
1 213 . 11 1 1 A 15 15 ASP CB C 15 39.300 39.688 -0.388 1
1 214 . 11 1 1 A 15 15 ASP N N 15 119.600 120.072 -0.472 1
1 215 . 11 1 1 A 16 16 THR H H 16 7.560 7.844 -0.284 1
1 216 . 11 1 1 A 16 16 THR HA H 16 4.650 4.622 0.028 1
1 222 . 11 1 1 A 16 16 THR C C 16 173.200 174.092 -0.892 1
1 223 . 11 1 1 A 16 16 THR CA C 16 61.500 61.892 -0.392 1
1 224 . 11 1 1 A 16 16 THR CB C 16 71.000 70.099 0.901 1
1 226 . 11 1 1 A 16 16 THR N N 16 113.100 113.795 -0.695 1
1 227 . 11 1 1 A 17 17 LYS H H 17 8.830 8.668 0.162 1
1 228 . 11 1 1 A 17 17 LYS HA H 17 4.690 4.777 -0.087 1
1 235 . 11 1 1 A 17 17 LYS C C 17 173.200 174.264 -1.064 1
1 236 . 11 1 1 A 17 17 LYS CA C 17 53.600 53.914 -0.314 1
1 237 . 11 1 1 A 17 17 LYS CB C 17 32.800 31.636 1.164 1
1 241 . 11 1 1 A 17 17 LYS N N 17 127.200 126.883 0.317 1
1 242 . 11 1 1 A 18 18 PRO HA H 18 3.540 3.660 -0.120 1
1 249 . 11 1 1 A 18 18 PRO C C 18 175.800 174.893 0.907 1
1 250 . 11 1 1 A 18 18 PRO CA C 18 62.000 62.971 -0.971 1
1 251 . 11 1 1 A 18 18 PRO CB C 18 32.200 32.039 0.161 1
1 254 . 11 1 1 A 19 19 ASP H H 19 8.310 7.998 0.312 1
1 255 . 11 1 1 A 19 19 ASP HA H 19 4.740 4.995 -0.255 1
1 258 . 11 1 1 A 19 19 ASP C C 19 175.100 174.232 0.868 1
1 259 . 11 1 1 A 19 19 ASP CA C 19 52.300 52.948 -0.648 1
1 260 . 11 1 1 A 19 19 ASP CB C 19 43.700 44.248 -0.548 1
1 261 . 11 1 1 A 19 19 ASP N N 19 120.300 122.003 -1.703 1
1 262 . 11 1 1 A 20 20 HIS H H 20 8.620 8.851 -0.231 1
1 263 . 11 1 1 A 20 20 HIS HA H 20 5.170 5.014 0.156 1
1 266 . 11 1 1 A 20 20 HIS CA C 20 53.200 52.347 0.853 1
1 267 . 11 1 1 A 20 20 HIS CB C 20 28.800 29.816 -1.016 1
1 268 . 11 1 1 A 20 20 HIS N N 20 118.800 121.534 -2.734 1
1 269 . 11 1 1 A 21 21 PRO HA H 21 4.190 4.074 0.116 1
1 276 . 11 1 1 A 21 21 PRO C C 21 176.600 176.165 0.435 1
1 277 . 11 1 1 A 21 21 PRO CA C 21 63.900 64.741 -0.841 1
1 278 . 11 1 1 A 21 21 PRO CB C 21 32.100 31.190 0.910 1
1 281 . 11 1 1 A 22 22 TRP H H 22 8.340 7.314 1.026 1
1 282 . 11 1 1 A 22 22 TRP HA H 22 5.000 4.783 0.217 1
1 291 . 11 1 1 A 22 22 TRP C C 22 174.200 176.983 -2.783 1
1 292 . 11 1 1 A 22 22 TRP CA C 22 57.100 57.624 -0.524 1
1 293 . 11 1 1 A 22 22 TRP CB C 22 29.400 30.191 -0.791 1
1 299 . 11 1 1 A 22 22 TRP N N 22 118.700 119.463 -0.763 1
1 301 . 11 1 1 A 23 23 GLU H H 23 9.030 8.901 0.129 1
1 302 . 11 1 1 A 23 23 GLU HA H 23 4.000 4.323 -0.323 1
1 307 . 11 1 1 A 23 23 GLU C C 23 177.900 177.246 0.654 1
1 308 . 11 1 1 A 23 23 GLU CA C 23 59.100 58.093 1.007 1
1 309 . 11 1 1 A 23 23 GLU CB C 23 29.200 30.325 -1.125 1
1 311 . 11 1 1 A 23 23 GLU N N 23 128.400 122.224 6.176 1
1 312 . 11 1 1 A 24 24 LYS H H 24 8.500 7.970 0.530 1
1 313 . 11 1 1 A 24 24 LYS HA H 24 3.890 4.043 -0.153 1
1 322 . 11 1 1 A 24 24 LYS C C 24 175.300 176.380 -1.080 1
1 323 . 11 1 1 A 24 24 LYS CA C 24 57.100 57.813 -0.713 1
1 324 . 11 1 1 A 24 24 LYS CB C 24 32.300 31.968 0.332 1
1 328 . 11 1 1 A 24 24 LYS N N 24 115.100 117.764 -2.664 1
1 329 . 11 1 1 A 25 25 PHE H H 25 7.010 7.883 -0.873 1
1 330 . 11 1 1 A 25 25 PHE HA H 25 4.740 5.120 -0.380 1
1 338 . 11 1 1 A 25 25 PHE C C 25 175.300 174.707 0.593 1
1 339 . 11 1 1 A 25 25 PHE CA C 25 54.300 54.820 -0.520 1
1 340 . 11 1 1 A 25 25 PHE CB C 25 39.200 38.723 0.477 1
1 346 . 11 1 1 A 25 25 PHE N N 25 115.100 117.517 -2.417 1
1 347 . 11 1 1 A 26 26 PRO HA H 26 4.380 4.666 -0.286 1
1 354 . 11 1 1 A 26 26 PRO C C 26 176.900 177.158 -0.258 1
1 355 . 11 1 1 A 26 26 PRO CA C 26 64.900 64.975 -0.075 1
1 356 . 11 1 1 A 26 26 PRO CB C 26 32.200 31.880 0.320 1
1 359 . 11 1 1 A 27 27 ASP H H 27 8.860 8.821 0.039 1
1 360 . 11 1 1 A 27 27 ASP HA H 27 4.810 4.648 0.162 1
1 363 . 11 1 1 A 27 27 ASP C C 27 177.200 176.285 0.915 1
1 364 . 11 1 1 A 27 27 ASP CA C 27 53.900 55.091 -1.191 1
1 365 . 11 1 1 A 27 27 ASP CB C 27 39.900 41.482 -1.582 1
1 366 . 11 1 1 A 27 27 ASP N N 27 114.400 117.919 -3.519 1
1 367 . 11 1 1 A 28 28 TYR H H 28 8.300 7.897 0.403 1
1 368 . 11 1 1 A 28 28 TYR HA H 28 5.500 4.956 0.544 1
1 375 . 11 1 1 A 28 28 TYR C C 28 175.900 176.392 -0.492 1
1 376 . 11 1 1 A 28 28 TYR CA C 28 55.600 57.568 -1.968 1
1 377 . 11 1 1 A 28 28 TYR CB C 28 36.400 40.492 -4.092 1
1 382 . 11 1 1 A 28 28 TYR N N 28 123.700 119.284 4.416 1
1 383 . 11 1 1 A 29 29 ALA H H 29 9.240 8.897 0.343 1
1 384 . 11 1 1 A 29 29 ALA HA H 29 5.030 5.072 -0.042 1
1 388 . 11 1 1 A 29 29 ALA C C 29 174.600 175.482 -0.882 1
1 389 . 11 1 1 A 29 29 ALA CA C 29 49.700 50.498 -0.798 1
1 390 . 11 1 1 A 29 29 ALA CB C 29 22.800 21.681 1.119 1
1 391 . 11 1 1 A 29 29 ALA N N 29 126.000 124.648 1.352 1
1 392 . 11 1 1 A 30 30 VAL H H 30 8.530 8.955 -0.425 1
1 393 . 11 1 1 A 30 30 VAL HA H 30 4.250 4.643 -0.393 1
1 401 . 11 1 1 A 30 30 VAL C C 30 173.400 174.704 -1.304 1
1 402 . 11 1 1 A 30 30 VAL CA C 30 60.300 61.275 -0.975 1
1 403 . 11 1 1 A 30 30 VAL CB C 30 34.100 33.173 0.927 1
1 406 . 11 1 1 A 30 30 VAL N N 30 119.700 123.408 -3.708 1
1 407 . 11 1 1 A 31 31 PHE H H 31 8.040 9.048 -1.008 1
1 408 . 11 1 1 A 31 31 PHE HA H 31 4.250 5.168 -0.918 1
1 416 . 11 1 1 A 31 31 PHE C C 31 173.200 174.302 -1.102 1
1 417 . 11 1 1 A 31 31 PHE CA C 31 56.700 56.569 0.131 1
1 418 . 11 1 1 A 31 31 PHE CB C 31 38.500 40.685 -2.185 1
1 424 . 11 1 1 A 31 31 PHE N N 31 124.100 126.472 -2.372 1
1 425 . 11 1 1 A 32 32 ARG H H 32 8.720 8.772 -0.052 1
1 426 . 11 1 1 A 32 32 ARG HA H 32 5.320 4.958 0.362 1
1 434 . 11 1 1 A 32 32 ARG C C 32 176.400 174.003 2.397 1
1 435 . 11 1 1 A 32 32 ARG CA C 32 53.400 55.161 -1.761 1
1 436 . 11 1 1 A 32 32 ARG CB C 32 34.200 34.060 0.140 1
1 440 . 11 1 1 A 32 32 ARG N N 32 122.300 124.331 -2.031 1
1 442 . 11 1 1 A 33 33 HIS H H 33 8.560 9.014 -0.454 1
1 443 . 11 1 1 A 33 33 HIS HA H 33 4.710 4.941 -0.231 1
1 446 . 11 1 1 A 33 33 HIS C C 33 176.400 175.462 0.938 1
1 447 . 11 1 1 A 33 33 HIS CA C 33 56.500 54.867 1.633 1
1 448 . 11 1 1 A 33 33 HIS CB C 33 28.900 30.597 -1.697 1
1 449 . 11 1 1 A 33 33 HIS N N 33 119.800 126.423 -6.623 1
1 450 . 11 1 1 A 34 34 SER H H 34 9.160 9.002 0.158 1
1 451 . 11 1 1 A 34 34 SER HA H 34 4.390 4.102 0.288 1
1 454 . 11 1 1 A 34 34 SER C C 34 174.900 175.894 -0.994 1
1 455 . 11 1 1 A 34 34 SER CA C 34 60.400 62.158 -1.758 1
1 456 . 11 1 1 A 34 34 SER CB C 34 63.200 63.122 0.078 1
1 457 . 11 1 1 A 34 34 SER N N 34 118.700 120.897 -2.197 1
1 458 . 11 1 1 A 35 35 ASP H H 35 8.660 8.996 -0.336 1
1 459 . 11 1 1 A 35 35 ASP HA H 35 4.570 4.474 0.096 1
1 462 . 11 1 1 A 35 35 ASP C C 35 177.000 176.813 0.187 1
1 463 . 11 1 1 A 35 35 ASP CA C 35 54.300 55.196 -0.896 1
1 464 . 11 1 1 A 35 35 ASP CB C 35 39.700 39.605 0.095 1
1 465 . 11 1 1 A 35 35 ASP N N 35 118.200 119.300 -1.100 1
1 466 . 11 1 1 A 36 36 ASN H H 36 7.900 7.824 0.076 1
1 467 . 11 1 1 A 36 36 ASN HA H 36 4.660 4.958 -0.298 1
1 472 . 11 1 1 A 36 36 ASN C C 36 175.100 174.868 0.232 1
1 473 . 11 1 1 A 36 36 ASN CA C 36 52.000 53.749 -1.749 1
1 474 . 11 1 1 A 36 36 ASN CB C 36 38.900 40.431 -1.531 1
1 476 . 11 1 1 A 36 36 ASN N N 36 116.200 117.715 -1.515 1
1 478 . 11 1 1 A 37 37 ASP H H 37 7.890 8.359 -0.469 1
1 479 . 11 1 1 A 37 37 ASP HA H 37 4.670 4.390 0.280 1
1 482 . 11 1 1 A 37 37 ASP C C 37 175.800 175.375 0.425 1
1 483 . 11 1 1 A 37 37 ASP CA C 37 55.800 55.559 0.241 1
1 484 . 11 1 1 A 37 37 ASP CB C 37 40.500 39.033 1.467 1
1 485 . 11 1 1 A 37 37 ASP N N 37 115.300 117.639 -2.339 1
1 486 . 11 1 1 A 38 38 LYS H H 38 8.310 8.039 0.271 1
1 487 . 11 1 1 A 38 38 LYS HA H 38 4.390 4.651 -0.261 1
1 496 . 11 1 1 A 38 38 LYS C C 38 175.300 176.426 -1.126 1
1 497 . 11 1 1 A 38 38 LYS CA C 38 56.700 57.025 -0.325 1
1 498 . 11 1 1 A 38 38 LYS CB C 38 32.500 35.926 -3.426 1
1 502 . 11 1 1 A 38 38 LYS N N 38 119.300 117.743 1.557 1
1 503 . 11 1 1 A 39 39 TRP HA H 39 5.000 4.835 0.165 1
1 512 . 11 1 1 A 39 39 TRP C C 39 176.100 174.882 1.218 1
1 513 . 11 1 1 A 39 39 TRP CA C 39 55.700 56.662 -0.962 1
1 514 . 11 1 1 A 39 39 TRP CB C 39 30.300 29.695 0.605 1
1 521 . 11 1 1 A 40 40 TYR H H 40 9.270 8.454 0.816 1
1 522 . 11 1 1 A 40 40 TYR HA H 40 5.280 5.337 -0.057 1
1 525 . 11 1 1 A 40 40 TYR C C 40 175.400 174.196 1.204 1
1 526 . 11 1 1 A 40 40 TYR CA C 40 55.700 56.028 -0.328 1
1 527 . 11 1 1 A 40 40 TYR CB C 40 40.300 41.569 -1.269 1
1 528 . 11 1 1 A 40 40 TYR N N 40 114.000 129.956 -15.956 1
1 529 . 11 1 1 A 41 41 ALA H H 41 7.760 8.340 -0.580 1
1 530 . 11 1 1 A 41 41 ALA HA H 41 5.580 4.704 0.876 1
1 534 . 11 1 1 A 41 41 ALA C C 41 177.300 175.211 2.089 1
1 535 . 11 1 1 A 41 41 ALA CA C 41 52.900 51.393 1.507 1
1 536 . 11 1 1 A 41 41 ALA CB C 41 21.900 22.729 -0.829 1
1 537 . 11 1 1 A 41 41 ALA N N 41 121.500 130.335 -8.835 1
1 538 . 11 1 1 A 42 42 LEU H H 42 8.300 8.804 -0.504 1
1 539 . 11 1 1 A 42 42 LEU HA H 42 5.200 4.918 0.282 1
1 549 . 11 1 1 A 42 42 LEU C C 42 173.300 173.613 -0.313 1
1 550 . 11 1 1 A 42 42 LEU CA C 42 54.100 53.889 0.211 1
1 551 . 11 1 1 A 42 42 LEU CB C 42 45.900 45.858 0.042 1
1 555 . 11 1 1 A 42 42 LEU N N 42 123.700 123.401 0.299 1
1 556 . 11 1 1 A 43 43 LEU H H 43 9.700 9.507 0.193 1
1 557 . 11 1 1 A 43 43 LEU HA H 43 5.250 5.516 -0.266 1
1 567 . 11 1 1 A 43 43 LEU C C 43 173.300 175.317 -2.017 1
1 568 . 11 1 1 A 43 43 LEU CA C 43 54.000 53.441 0.559 1
1 569 . 11 1 1 A 43 43 LEU CB C 43 46.000 45.096 0.904 1
1 573 . 11 1 1 A 43 43 LEU N N 43 130.400 129.188 1.212 1
1 574 . 11 1 1 A 44 44 MET H H 44 8.800 8.449 0.351 1
1 575 . 11 1 1 A 44 44 MET HA H 44 4.420 4.833 -0.413 1
1 583 . 11 1 1 A 44 44 MET C C 44 172.500 173.593 -1.093 1
1 584 . 11 1 1 A 44 44 MET CA C 44 55.000 53.507 1.493 1
1 585 . 11 1 1 A 44 44 MET CB C 44 39.100 35.169 3.931 1
1 588 . 11 1 1 A 44 44 MET N N 44 122.800 122.833 -0.033 1
1 589 . 11 1 1 A 45 45 ASP H H 45 7.960 8.421 -0.461 1
1 590 . 11 1 1 A 45 45 ASP HA H 45 5.490 5.370 0.120 1
1 593 . 11 1 1 A 45 45 ASP C C 45 175.200 175.412 -0.212 1
1 594 . 11 1 1 A 45 45 ASP CA C 45 51.900 52.646 -0.746 1
1 595 . 11 1 1 A 45 45 ASP CB C 45 40.800 41.955 -1.155 1
1 596 . 11 1 1 A 45 45 ASP N N 45 119.400 118.787 0.613 1
1 597 . 11 1 1 A 46 46 ILE H H 46 8.800 8.406 0.394 1
1 598 . 11 1 1 A 46 46 ILE HA H 46 4.870 4.896 -0.026 1
1 608 . 11 1 1 A 46 46 ILE CA C 46 57.700 57.010 0.690 1
1 609 . 11 1 1 A 46 46 ILE CB C 46 40.100 40.037 0.063 1
1 613 . 11 1 1 A 46 46 ILE N N 46 117.400 119.811 -2.411 1
1 614 . 11 1 1 A 47 47 PRO HA H 47 4.420 4.507 -0.087 1
1 621 . 11 1 1 A 47 47 PRO C C 47 177.800 177.402 0.398 1
1 622 . 11 1 1 A 47 47 PRO CA C 47 63.000 62.784 0.216 1
1 623 . 11 1 1 A 47 47 PRO CB C 47 31.900 32.812 -0.912 1
1 626 . 11 1 1 A 48 48 ALA H H 48 8.550 8.355 0.195 1
1 627 . 11 1 1 A 48 48 ALA HA H 48 3.550 4.008 -0.458 1
1 631 . 11 1 1 A 48 48 ALA C C 48 179.200 179.657 -0.457 1
1 632 . 11 1 1 A 48 48 ALA CA C 48 55.200 54.757 0.443 1
1 633 . 11 1 1 A 48 48 ALA CB C 48 17.700 18.157 -0.457 1
1 634 . 11 1 1 A 48 48 ALA N N 48 130.100 127.446 2.654 1
1 635 . 11 1 1 A 49 49 GLU H H 49 8.700 8.213 0.487 1
1 636 . 11 1 1 A 49 49 GLU HA H 49 4.180 4.218 -0.038 1
1 641 . 11 1 1 A 49 49 GLU C C 49 179.800 179.268 0.532 1
1 642 . 11 1 1 A 49 49 GLU CA C 49 58.200 59.458 -1.258 1
1 643 . 11 1 1 A 49 49 GLU CB C 49 28.200 28.919 -0.719 1
1 645 . 11 1 1 A 49 49 GLU N N 49 114.900 118.907 -4.007 1
1 646 . 11 1 1 A 50 50 LYS H H 50 7.910 7.601 0.309 1
1 647 . 11 1 1 A 50 50 LYS HA H 50 4.060 4.062 -0.002 1
1 656 . 11 1 1 A 50 50 LYS C C 50 178.100 178.435 -0.335 1
1 657 . 11 1 1 A 50 50 LYS CA C 50 56.900 59.477 -2.577 1
1 658 . 11 1 1 A 50 50 LYS CB C 50 31.700 32.320 -0.620 1
1 662 . 11 1 1 A 50 50 LYS N N 50 118.100 119.961 -1.861 1
1 663 . 11 1 1 A 51 51 ILE H H 51 7.190 7.675 -0.485 1
1 664 . 11 1 1 A 51 51 ILE HA H 51 4.490 4.092 0.398 1
1 674 . 11 1 1 A 51 51 ILE C C 51 175.300 176.406 -1.106 1
1 675 . 11 1 1 A 51 51 ILE CA C 51 60.100 60.425 -0.325 1
1 676 . 11 1 1 A 51 51 ILE CB C 51 37.400 36.852 0.548 1
1 680 . 11 1 1 A 51 51 ILE N N 51 109.000 113.097 -4.097 1
1 681 . 11 1 1 A 52 52 GLY H H 52 7.370 7.785 -0.415 1
1 682 . 11 1 1 A 52 52 GLY HA2 H 52 4.050 3.888 0.162 1
1 683 . 11 1 1 A 52 52 GLY HA3 H 52 3.730 3.907 -0.177 1
1 684 . 11 1 1 A 52 52 GLY C C 52 174.200 173.941 0.259 1
1 685 . 11 1 1 A 52 52 GLY CA C 52 46.100 45.487 0.613 1
1 686 . 11 1 1 A 52 52 GLY N N 52 106.900 110.408 -3.508 1
1 687 . 11 1 1 A 53 53 ILE H H 53 7.260 7.289 -0.029 1
1 688 . 11 1 1 A 53 53 ILE HA H 53 4.040 4.062 -0.022 1
1 698 . 11 1 1 A 53 53 ILE C C 53 174.700 176.503 -1.803 1
1 699 . 11 1 1 A 53 53 ILE CA C 53 60.500 60.726 -0.226 1
1 700 . 11 1 1 A 53 53 ILE CB C 53 38.700 37.143 1.557 1
1 704 . 11 1 1 A 53 53 ILE N N 53 121.900 122.606 -0.706 1
1 705 . 11 1 1 A 54 54 ASN H H 54 8.280 8.720 -0.440 1
1 706 . 11 1 1 A 54 54 ASN HA H 54 4.540 4.390 0.150 1
1 711 . 11 1 1 A 54 54 ASN C C 54 175.400 176.981 -1.581 1
1 712 . 11 1 1 A 54 54 ASN CA C 54 53.700 55.879 -2.179 1
1 713 . 11 1 1 A 54 54 ASN CB C 54 39.000 38.142 0.858 1
1 715 . 11 1 1 A 54 54 ASN N N 54 123.300 123.420 -0.120 1
1 717 . 11 1 1 A 55 55 GLY H H 55 8.240 8.315 -0.075 1
1 718 . 11 1 1 A 55 55 GLY HA2 H 55 4.230 3.791 0.439 1
1 719 . 11 1 1 A 55 55 GLY HA3 H 55 3.740 3.794 -0.054 1
1 720 . 11 1 1 A 55 55 GLY C C 55 173.200 175.054 -1.854 1
1 721 . 11 1 1 A 55 55 GLY CA C 55 44.800 46.019 -1.219 1
1 722 . 11 1 1 A 55 55 GLY N N 55 110.200 106.031 4.169 1
1 723 . 11 1 1 A 56 56 ASP H H 56 8.320 8.897 -0.577 1
1 724 . 11 1 1 A 56 56 ASP HA H 56 4.700 4.518 0.182 1
1 727 . 11 1 1 A 56 56 ASP C C 56 175.800 176.392 -0.592 1
1 728 . 11 1 1 A 56 56 ASP CA C 56 53.400 53.764 -0.364 1
1 729 . 11 1 1 A 56 56 ASP CB C 56 40.500 39.897 0.603 1
1 730 . 11 1 1 A 56 56 ASP N N 56 119.000 123.743 -4.743 1
1 731 . 11 1 1 A 57 57 LYS H H 57 7.780 7.336 0.444 1
1 732 . 11 1 1 A 57 57 LYS HA H 57 4.400 4.437 -0.037 1
1 741 . 11 1 1 A 57 57 LYS C C 57 175.700 176.395 -0.695 1
1 742 . 11 1 1 A 57 57 LYS CA C 57 55.600 55.898 -0.298 1
1 743 . 11 1 1 A 57 57 LYS CB C 57 33.700 33.422 0.278 1
1 747 . 11 1 1 A 57 57 LYS N N 57 119.500 117.714 1.786 1
1 748 . 11 1 1 A 58 58 ARG H H 58 8.410 8.599 -0.189 1
1 749 . 11 1 1 A 58 58 ARG HA H 58 4.740 4.549 0.191 1
1 757 . 11 1 1 A 58 58 ARG C C 58 176.200 176.295 -0.095 1
1 758 . 11 1 1 A 58 58 ARG CA C 58 55.300 56.056 -0.756 1
1 759 . 11 1 1 A 58 58 ARG CB C 58 31.700 31.108 0.592 1
1 763 . 11 1 1 A 58 58 ARG N N 58 120.900 121.817 -0.917 1
1 765 . 11 1 1 A 59 59 VAL H H 59 9.030 8.547 0.483 1
1 766 . 11 1 1 A 59 59 VAL HA H 59 4.570 4.862 -0.292 1
1 774 . 11 1 1 A 59 59 VAL C C 59 173.900 173.722 0.178 1
1 775 . 11 1 1 A 59 59 VAL CA C 59 58.700 58.600 0.100 1
1 776 . 11 1 1 A 59 59 VAL CB C 59 34.700 35.781 -1.081 1
1 779 . 11 1 1 A 59 59 VAL N N 59 115.600 118.529 -2.929 1
1 780 . 11 1 1 A 60 60 ASP H H 60 8.290 8.610 -0.320 1
1 781 . 11 1 1 A 60 60 ASP HA H 60 5.560 5.382 0.178 1
1 784 . 11 1 1 A 60 60 ASP C C 60 175.800 175.624 0.176 1
1 785 . 11 1 1 A 60 60 ASP CA C 60 53.600 53.150 0.450 1
1 786 . 11 1 1 A 60 60 ASP CB C 60 43.100 42.651 0.449 1
1 787 . 11 1 1 A 60 60 ASP N N 60 120.700 121.528 -0.828 1
1 788 . 11 1 1 A 61 61 VAL H H 61 9.080 8.566 0.514 1
1 789 . 11 1 1 A 61 61 VAL HA H 61 5.150 5.176 -0.026 1
1 797 . 11 1 1 A 61 61 VAL C C 61 173.800 174.377 -0.577 1
1 798 . 11 1 1 A 61 61 VAL CA C 61 57.600 59.187 -1.587 1
1 799 . 11 1 1 A 61 61 VAL CB C 61 35.500 35.852 -0.352 1
1 802 . 11 1 1 A 61 61 VAL N N 61 115.200 116.879 -1.679 1
1 803 . 11 1 1 A 62 62 ILE H H 62 8.530 8.380 0.150 1
1 804 . 11 1 1 A 62 62 ILE HA H 62 5.550 5.148 0.402 1
1 814 . 11 1 1 A 62 62 ILE CA C 62 57.800 58.460 -0.660 1
1 815 . 11 1 1 A 62 62 ILE CB C 62 41.700 41.729 -0.029 1
1 819 . 11 1 1 A 62 62 ILE N N 62 112.000 118.947 -6.947 1
1 820 . 11 1 1 A 64 64 LEU HA H 64 4.960 4.848 0.112 1
1 830 . 11 1 1 A 64 64 LEU C C 64 173.100 175.583 -2.483 1
1 831 . 11 1 1 A 64 64 LEU CA C 64 53.500 54.087 -0.587 1
1 832 . 11 1 1 A 64 64 LEU CB C 64 47.000 45.833 1.167 1
1 836 . 11 1 1 A 65 65 LYS H H 65 8.470 8.644 -0.174 1
1 837 . 11 1 1 A 65 65 LYS HA H 65 3.760 5.002 -1.242 1
1 846 . 11 1 1 A 65 65 LYS C C 65 175.100 176.278 -1.178 1
1 847 . 11 1 1 A 65 65 LYS CA C 65 55.700 56.160 -0.460 1
1 848 . 11 1 1 A 65 65 LYS CB C 65 33.600 33.100 0.500 1
1 852 . 11 1 1 A 65 65 LYS N N 65 126.700 124.406 2.294 1
1 853 . 11 1 1 A 66 66 VAL H H 66 7.840 8.543 -0.703 1
1 854 . 11 1 1 A 66 66 VAL HA H 66 4.410 4.854 -0.444 1
1 862 . 11 1 1 A 66 66 VAL C C 66 175.300 174.769 0.531 1
1 863 . 11 1 1 A 66 66 VAL CA C 66 58.300 58.801 -0.501 1
1 864 . 11 1 1 A 66 66 VAL CB C 66 36.400 35.992 0.408 1
1 867 . 11 1 1 A 66 66 VAL N N 66 116.000 117.987 -1.987 1
1 868 . 11 1 1 A 67 67 GLN H H 67 8.620 8.443 0.177 1
1 869 . 11 1 1 A 67 67 GLN HA H 67 4.350 4.543 -0.193 1
1 876 . 11 1 1 A 67 67 GLN CA C 67 54.900 54.013 0.887 1
1 877 . 11 1 1 A 67 67 GLN CB C 67 27.600 28.139 -0.539 1
1 880 . 11 1 1 A 67 67 GLN N N 67 123.000 121.227 1.773 1
1 882 . 11 1 1 A 68 68 PRO HA H 68 4.200 4.225 -0.025 1
1 889 . 11 1 1 A 68 68 PRO C C 68 179.400 178.258 1.142 1
1 890 . 11 1 1 A 68 68 PRO CA C 68 65.100 65.701 -0.601 1
1 891 . 11 1 1 A 68 68 PRO CB C 68 31.700 31.797 -0.097 1
1 894 . 11 1 1 A 69 69 GLU H H 69 9.620 9.175 0.445 1
1 895 . 11 1 1 A 69 69 GLU HA H 69 4.190 4.096 0.094 1
1 900 . 11 1 1 A 69 69 GLU C C 69 177.100 177.452 -0.352 1
1 901 . 11 1 1 A 69 69 GLU CA C 69 58.600 58.853 -0.253 1
1 902 . 11 1 1 A 69 69 GLU CB C 69 28.100 28.611 -0.511 1
1 904 . 11 1 1 A 69 69 GLU N N 69 116.900 116.429 0.471 1
1 905 . 11 1 1 A 70 70 LEU H H 70 7.940 7.670 0.270 1
1 906 . 11 1 1 A 70 70 LEU HA H 70 4.460 4.316 0.144 1
1 916 . 11 1 1 A 70 70 LEU C C 70 177.600 177.962 -0.362 1
1 917 . 11 1 1 A 70 70 LEU CA C 70 54.500 55.082 -0.582 1
1 918 . 11 1 1 A 70 70 LEU CB C 70 42.800 41.732 1.068 1
1 922 . 11 1 1 A 70 70 LEU N N 70 118.700 120.127 -1.427 1
1 923 . 11 1 1 A 71 71 VAL H H 71 7.080 7.430 -0.350 1
1 924 . 11 1 1 A 71 71 VAL HA H 71 3.210 3.740 -0.530 1
1 932 . 11 1 1 A 71 71 VAL C C 71 176.800 177.919 -1.119 1
1 933 . 11 1 1 A 71 71 VAL CA C 71 67.700 65.871 1.829 1
1 934 . 11 1 1 A 71 71 VAL CB C 71 32.000 31.245 0.755 1
1 937 . 11 1 1 A 71 71 VAL N N 71 120.300 120.585 -0.285 1
1 938 . 11 1 1 A 72 72 GLY H H 72 8.540 8.343 0.197 1
1 939 . 11 1 1 A 72 72 GLY HA2 H 72 3.770 3.811 -0.041 1
1 940 . 11 1 1 A 72 72 GLY HA3 H 72 3.630 3.816 -0.186 1
1 941 . 11 1 1 A 72 72 GLY C C 72 176.300 176.242 0.058 1
1 942 . 11 1 1 A 72 72 GLY CA C 72 47.000 47.455 -0.455 1
1 943 . 11 1 1 A 72 72 GLY N N 72 105.300 109.123 -3.823 1
1 944 . 11 1 1 A 73 73 SER H H 73 7.870 8.054 -0.184 1
1 945 . 11 1 1 A 73 73 SER HA H 73 4.170 4.167 0.003 1
1 948 . 11 1 1 A 73 73 SER C C 73 178.000 176.339 1.661 1
1 949 . 11 1 1 A 73 73 SER CA C 73 60.600 61.409 -0.809 1
1 950 . 11 1 1 A 73 73 SER CB C 73 62.700 62.532 0.168 1
1 951 . 11 1 1 A 73 73 SER N N 73 115.700 116.908 -1.208 1
1 952 . 11 1 1 A 74 74 LEU H H 74 8.340 7.820 0.520 1
1 953 . 11 1 1 A 74 74 LEU HA H 74 4.000 4.116 -0.116 1
1 963 . 11 1 1 A 74 74 LEU C C 74 178.400 178.896 -0.496 1
1 964 . 11 1 1 A 74 74 LEU CA C 74 57.900 57.093 0.807 1
1 965 . 11 1 1 A 74 74 LEU CB C 74 41.700 42.475 -0.775 1
1 969 . 11 1 1 A 74 74 LEU N N 74 124.600 124.040 0.560 1
1 970 . 11 1 1 A 75 75 ARG H H 75 7.850 8.262 -0.412 1
1 971 . 11 1 1 A 75 75 ARG HA H 75 3.750 4.172 -0.422 1
1 979 . 11 1 1 A 75 75 ARG C C 75 176.500 177.560 -1.060 1
1 980 . 11 1 1 A 75 75 ARG CA C 75 57.800 58.212 -0.412 1
1 981 . 11 1 1 A 75 75 ARG CB C 75 29.500 29.872 -0.372 1
1 985 . 11 1 1 A 75 75 ARG N N 75 113.300 119.234 -5.934 1
1 987 . 11 1 1 A 76 76 LYS H H 76 7.100 7.752 -0.652 1
1 988 . 11 1 1 A 76 76 LYS HA H 76 4.210 4.346 -0.136 1
1 997 . 11 1 1 A 76 76 LYS C C 76 177.000 176.176 0.824 1
1 998 . 11 1 1 A 76 76 LYS CA C 76 56.500 58.113 -1.613 1
1 999 . 11 1 1 A 76 76 LYS CB C 76 32.700 32.365 0.335 1
1 1003 . 11 1 1 A 76 76 LYS N N 76 116.600 115.002 1.598 1
1 1004 . 11 1 1 A 77 77 LYS H H 77 7.830 7.425 0.405 1
1 1005 . 11 1 1 A 77 77 LYS HA H 77 4.470 4.409 0.061 1
1 1014 . 11 1 1 A 77 77 LYS CA C 77 54.500 52.316 2.184 1
1 1015 . 11 1 1 A 77 77 LYS CB C 77 31.800 32.977 -1.177 1
1 1019 . 11 1 1 A 77 77 LYS N N 77 122.900 120.926 1.974 1
1 1020 . 11 1 1 A 78 78 PRO HA H 78 4.190 4.143 0.047 1
1 1027 . 11 1 1 A 78 78 PRO C C 78 176.600 177.160 -0.560 1
1 1028 . 11 1 1 A 78 78 PRO CA C 78 63.700 63.613 0.087 1
1 1029 . 11 1 1 A 78 78 PRO CB C 78 31.900 31.474 0.426 1
1 1032 . 11 1 1 A 79 79 GLY H H 79 8.290 8.675 -0.385 1
1 1033 . 11 1 1 A 79 79 GLY HA2 H 79 4.350 3.875 0.475 1
1 1034 . 11 1 1 A 79 79 GLY HA3 H 79 3.590 3.917 -0.327 1
1 1035 . 11 1 1 A 79 79 GLY C C 79 172.000 173.910 -1.910 1
1 1036 . 11 1 1 A 79 79 GLY CA C 79 45.500 45.272 0.228 1
1 1037 . 11 1 1 A 79 79 GLY N N 79 109.300 111.440 -2.140 1
1 1038 . 11 1 1 A 80 80 ILE H H 80 7.300 7.412 -0.112 1
1 1039 . 11 1 1 A 80 80 ILE HA H 80 4.770 4.180 0.590 1
1 1049 . 11 1 1 A 80 80 ILE C C 80 174.200 174.836 -0.636 1
1 1050 . 11 1 1 A 80 80 ILE CA C 80 60.500 61.095 -0.595 1
1 1051 . 11 1 1 A 80 80 ILE CB C 80 37.000 38.949 -1.949 1
1 1055 . 11 1 1 A 80 80 ILE N N 80 119.200 122.258 -3.058 1
1 1056 . 11 1 1 A 81 81 TYR H H 81 9.490 8.587 0.903 1
1 1057 . 11 1 1 A 81 81 TYR HA H 81 4.840 4.946 -0.106 1
1 1064 . 11 1 1 A 81 81 TYR CA C 81 56.800 55.718 1.082 1
1 1065 . 11 1 1 A 81 81 TYR CB C 81 39.800 39.843 -0.043 1
1 1070 . 11 1 1 A 81 81 TYR N N 81 126.100 126.802 -0.702 1
1 1071 . 11 1 1 A 82 82 PRO HA H 82 4.610 4.528 0.082 1
1 1078 . 11 1 1 A 82 82 PRO CA C 82 62.300 62.747 -0.447 1
1 1079 . 11 1 1 A 82 82 PRO CB C 82 32.000 32.397 -0.397 1
1 1082 . 11 1 1 A 83 83 ALA HA H 83 4.140 3.977 0.163 1
1 1086 . 11 1 1 A 84 84 TYR HA H 84 4.470 4.323 0.147 1
1 1093 . 11 1 1 A 84 84 TYR CA C 84 57.500 60.610 -3.110 1
1 1094 . 11 1 1 A 84 84 TYR CB C 84 39.500 38.146 1.354 1
1 1099 . 11 1 1 A 87 87 ASN HA H 87 4.410 4.391 0.019 1
1 1104 . 11 1 1 A 87 87 ASN C C 87 176.500 175.164 1.336 1
1 1105 . 11 1 1 A 87 87 ASN CA C 87 55.100 53.514 1.586 1
1 1106 . 11 1 1 A 87 87 ASN CB C 87 40.600 38.388 2.212 1
1 1109 . 11 1 1 A 88 88 LYS H H 88 8.710 8.740 -0.030 1
1 1110 . 11 1 1 A 88 88 LYS HA H 88 4.320 4.237 0.083 1
1 1119 . 11 1 1 A 88 88 LYS C C 88 177.600 177.897 -0.297 1
1 1120 . 11 1 1 A 88 88 LYS CA C 88 58.100 58.062 0.038 1
1 1121 . 11 1 1 A 88 88 LYS CB C 88 33.000 32.491 0.509 1
1 1125 . 11 1 1 A 88 88 LYS N N 88 123.800 124.235 -0.435 1
1 1126 . 11 1 1 A 89 89 GLU H H 89 8.390 7.722 0.668 1
1 1127 . 11 1 1 A 89 89 GLU HA H 89 4.270 4.338 -0.068 1
1 1132 . 11 1 1 A 89 89 GLU C C 89 176.500 178.799 -2.299 1
1 1133 . 11 1 1 A 89 89 GLU CA C 89 57.800 57.679 0.121 1
1 1134 . 11 1 1 A 89 89 GLU CB C 89 30.100 30.624 -0.524 1
1 1136 . 11 1 1 A 89 89 GLU N N 89 117.000 117.999 -0.999 1
1 1137 . 11 1 1 A 90 90 HIS H H 90 7.600 7.338 0.262 1
1 1138 . 11 1 1 A 90 90 HIS HA H 90 4.580 4.218 0.362 1
1 1142 . 11 1 1 A 90 90 HIS C C 90 170.800 174.898 -4.098 1
1 1143 . 11 1 1 A 90 90 HIS CA C 90 55.500 58.554 -3.054 1
1 1144 . 11 1 1 A 90 90 HIS CB C 90 32.200 29.339 2.861 1
1 1145 . 11 1 1 A 90 90 HIS N N 90 111.500 117.194 -5.694 1
1 1146 . 11 1 1 A 91 91 TRP H H 91 7.650 7.629 0.021 1
1 1147 . 11 1 1 A 91 91 TRP HA H 91 5.610 5.310 0.300 1
1 1156 . 11 1 1 A 91 91 TRP C C 91 174.600 175.692 -1.092 1
1 1157 . 11 1 1 A 91 91 TRP CA C 91 55.500 56.238 -0.738 1
1 1158 . 11 1 1 A 91 91 TRP CB C 91 31.700 32.083 -0.383 1
1 1163 . 11 1 1 A 91 91 TRP N N 91 117.400 116.042 1.358 1
1 1165 . 11 1 1 A 92 92 ILE H H 92 9.100 8.576 0.524 1
1 1166 . 11 1 1 A 92 92 ILE HA H 92 4.630 4.761 -0.131 1
1 1176 . 11 1 1 A 92 92 ILE C C 92 174.500 175.299 -0.799 1
1 1177 . 11 1 1 A 92 92 ILE CA C 92 59.800 59.625 0.175 1
1 1178 . 11 1 1 A 92 92 ILE CB C 92 42.500 42.337 0.163 1
1 1182 . 11 1 1 A 92 92 ILE N N 92 111.700 120.872 -9.172 1
1 1183 . 11 1 1 A 93 93 THR H H 93 8.570 8.419 0.151 1
1 1184 . 11 1 1 A 93 93 THR HA H 93 4.250 5.290 -1.040 1
1 1190 . 11 1 1 A 93 93 THR CA C 93 61.800 60.314 1.486 1
1 1191 . 11 1 1 A 93 93 THR CB C 93 70.200 70.257 -0.057 1
1 1193 . 11 1 1 A 93 93 THR N N 93 117.600 115.977 1.623 1
1 1194 . 11 1 1 A 94 94 VAL HA H 94 4.680 4.795 -0.115 1
1 1202 . 11 1 1 A 94 94 VAL C C 94 175.400 174.653 0.747 1
1 1203 . 11 1 1 A 94 94 VAL CA C 94 60.700 60.687 0.013 1
1 1204 . 11 1 1 A 94 94 VAL CB C 94 34.100 34.441 -0.341 1
1 1207 . 11 1 1 A 95 95 LEU H H 95 8.080 8.550 -0.470 1
1 1208 . 11 1 1 A 95 95 LEU HA H 95 4.330 4.613 -0.283 1
1 1218 . 11 1 1 A 95 95 LEU C C 95 176.400 176.163 0.237 1
1 1219 . 11 1 1 A 95 95 LEU CA C 95 55.000 54.385 0.615 1
1 1220 . 11 1 1 A 95 95 LEU CB C 95 44.300 42.024 2.276 1
1 1224 . 11 1 1 A 95 95 LEU N N 95 127.500 127.876 -0.376 1
1 1225 . 11 1 1 A 96 96 LEU H H 96 8.050 8.425 -0.375 1
1 1226 . 11 1 1 A 96 96 LEU HA H 96 4.150 4.019 0.131 1
1 1236 . 11 1 1 A 96 96 LEU C C 96 177.400 178.633 -1.233 1
1 1237 . 11 1 1 A 96 96 LEU CA C 96 56.500 58.091 -1.591 1
1 1238 . 11 1 1 A 96 96 LEU CB C 96 40.500 41.499 -0.999 1
1 1242 . 11 1 1 A 96 96 LEU N N 96 128.100 127.162 0.938 1
1 1243 . 11 1 1 A 97 97 ASN H H 97 8.690 7.954 0.736 1
1 1244 . 11 1 1 A 97 97 ASN HA H 97 4.740 4.773 -0.033 1
1 1249 . 11 1 1 A 97 97 ASN C C 97 174.900 176.045 -1.145 1
1 1250 . 11 1 1 A 97 97 ASN CA C 97 53.000 54.168 -1.168 1
1 1251 . 11 1 1 A 97 97 ASN CB C 97 37.700 38.764 -1.064 1
1 1252 . 11 1 1 A 97 97 ASN N N 97 117.200 114.672 2.528 1
1 1254 . 11 1 1 A 98 98 GLY H H 98 7.820 8.148 -0.328 1
1 1255 . 11 1 1 A 98 98 GLY HA2 H 98 4.470 4.116 0.354 1
1 1256 . 11 1 1 A 98 98 GLY HA3 H 98 3.740 4.121 -0.381 1
1 1257 . 11 1 1 A 98 98 GLY C C 98 174.900 174.759 0.141 1
1 1258 . 11 1 1 A 98 98 GLY CA C 98 44.900 44.169 0.731 1
1 1259 . 11 1 1 A 98 98 GLY N N 98 108.600 108.070 0.530 1
1 1260 . 11 1 1 A 99 99 PRO HA H 99 4.380 4.281 0.099 1
1 1267 . 11 1 1 A 99 99 PRO C C 99 177.400 178.487 -1.087 1
1 1268 . 11 1 1 A 99 99 PRO CA C 99 63.900 66.170 -2.270 1
1 1269 . 11 1 1 A 99 99 PRO CB C 99 32.400 31.379 1.021 1
1 1272 . 11 1 1 A 100 100 LEU H H 100 7.750 8.074 -0.324 1
1 1273 . 11 1 1 A 100 100 LEU HA H 100 4.280 4.182 0.098 1
1 1283 . 11 1 1 A 100 100 LEU C C 100 177.400 175.391 2.009 1
1 1284 . 11 1 1 A 100 100 LEU CA C 100 55.800 56.871 -1.071 1
1 1285 . 11 1 1 A 100 100 LEU CB C 100 42.600 41.579 1.021 1
1 1289 . 11 1 1 A 100 100 LEU N N 100 120.300 116.775 3.525 1
1 1290 . 11 1 1 A 101 101 GLY H H 101 8.620 7.601 1.019 1
1 1291 . 11 1 1 A 101 101 GLY HA2 H 101 4.110 4.097 0.013 1
1 1292 . 11 1 1 A 101 101 GLY HA3 H 101 3.890 4.104 -0.214 1
1 1293 . 11 1 1 A 101 101 GLY C C 101 173.600 174.460 -0.860 1
1 1294 . 11 1 1 A 101 101 GLY CA C 101 44.300 45.714 -1.414 1
1 1295 . 11 1 1 A 101 101 GLY N N 101 110.600 109.589 1.011 1
1 1296 . 11 1 1 A 102 102 ALA H H 102 8.310 8.921 -0.611 1
1 1297 . 11 1 1 A 102 102 ALA HA H 102 3.520 3.877 -0.357 1
1 1301 . 11 1 1 A 102 102 ALA C C 102 178.900 179.343 -0.443 1
1 1302 . 11 1 1 A 102 102 ALA CA C 102 55.400 54.624 0.776 1
1 1303 . 11 1 1 A 102 102 ALA CB C 102 18.600 18.087 0.513 1
1 1304 . 11 1 1 A 102 102 ALA N N 102 122.000 124.383 -2.383 1
1 1305 . 11 1 1 A 103 103 LYS H H 103 8.360 7.959 0.401 1
1 1306 . 11 1 1 A 103 103 LYS HA H 103 3.730 3.734 -0.004 1
1 1315 . 11 1 1 A 103 103 LYS C C 103 179.400 179.696 -0.296 1
1 1316 . 11 1 1 A 103 103 LYS CA C 103 60.000 59.506 0.494 1
1 1317 . 11 1 1 A 103 103 LYS CB C 103 31.900 32.210 -0.310 1
1 1321 . 11 1 1 A 103 103 LYS N N 103 116.500 117.651 -1.151 1
1 1322 . 11 1 1 A 104 104 GLU H H 104 7.890 7.980 -0.090 1
1 1323 . 11 1 1 A 104 104 GLU HA H 104 4.080 4.040 0.040 1
1 1328 . 11 1 1 A 104 104 GLU C C 104 179.300 179.449 -0.149 1
1 1329 . 11 1 1 A 104 104 GLU CA C 104 59.500 58.874 0.626 1
1 1330 . 11 1 1 A 104 104 GLU CB C 104 29.100 29.712 -0.612 1
1 1332 . 11 1 1 A 104 104 GLU N N 104 120.000 120.150 -0.150 1
1 1333 . 11 1 1 A 105 105 ILE H H 105 8.170 7.409 0.761 1
1 1334 . 11 1 1 A 105 105 ILE HA H 105 3.520 3.701 -0.181 1
1 1344 . 11 1 1 A 105 105 ILE C C 105 178.100 178.198 -0.098 1
1 1345 . 11 1 1 A 105 105 ILE CA C 105 66.700 65.362 1.338 1
1 1346 . 11 1 1 A 105 105 ILE CB C 105 37.700 37.732 -0.032 1
1 1350 . 11 1 1 A 105 105 ILE N N 105 119.500 120.539 -1.039 1
1 1351 . 11 1 1 A 106 106 HIS H H 106 8.930 8.169 0.761 1
1 1352 . 11 1 1 A 106 106 HIS HA H 106 4.230 4.245 -0.015 1
1 1356 . 11 1 1 A 106 106 HIS C C 106 178.000 177.763 0.237 1
1 1357 . 11 1 1 A 106 106 HIS CA C 106 57.600 59.901 -2.301 1
1 1358 . 11 1 1 A 106 106 HIS CB C 106 28.400 29.651 -1.251 1
1 1360 . 11 1 1 A 106 106 HIS N N 106 116.700 120.191 -3.491 1
1 1361 . 11 1 1 A 107 107 SER H H 107 8.060 8.009 0.051 1
1 1362 . 11 1 1 A 107 107 SER HA H 107 4.310 4.139 0.171 1
1 1365 . 11 1 1 A 107 107 SER C C 107 175.900 177.581 -1.681 1
1 1366 . 11 1 1 A 107 107 SER CA C 107 62.200 61.378 0.822 1
1 1367 . 11 1 1 A 107 107 SER CB C 107 62.500 62.857 -0.357 1
1 1368 . 11 1 1 A 107 107 SER N N 107 117.000 115.024 1.976 1
1 1369 . 11 1 1 A 108 108 LEU H H 108 7.950 8.205 -0.255 1
1 1370 . 11 1 1 A 108 108 LEU HA H 108 4.180 4.024 0.156 1
1 1380 . 11 1 1 A 108 108 LEU C C 108 180.600 179.025 1.575 1
1 1381 . 11 1 1 A 108 108 LEU CA C 108 57.900 58.032 -0.132 1
1 1382 . 11 1 1 A 108 108 LEU CB C 108 42.500 41.851 0.649 1
1 1386 . 11 1 1 A 108 108 LEU N N 108 121.800 121.666 0.134 1
1 1387 . 11 1 1 A 109 109 ILE H H 109 8.730 8.483 0.247 1
1 1388 . 11 1 1 A 109 109 ILE HA H 109 3.830 3.565 0.265 1
1 1398 . 11 1 1 A 109 109 ILE C C 109 176.800 178.320 -1.520 1
1 1399 . 11 1 1 A 109 109 ILE CA C 109 65.800 66.290 -0.490 1
1 1400 . 11 1 1 A 109 109 ILE CB C 109 38.600 38.357 0.243 1
1 1404 . 11 1 1 A 109 109 ILE N N 109 120.200 120.167 0.033 1
1 1405 . 11 1 1 A 110 110 GLU H H 110 7.960 8.539 -0.579 1
1 1406 . 11 1 1 A 110 110 GLU HA H 110 4.280 4.088 0.192 1
1 1411 . 11 1 1 A 110 110 GLU C C 110 178.500 178.470 0.030 1
1 1412 . 11 1 1 A 110 110 GLU CA C 110 58.800 59.862 -1.062 1
1 1413 . 11 1 1 A 110 110 GLU CB C 110 28.200 28.906 -0.706 1
1 1415 . 11 1 1 A 110 110 GLU N N 110 120.800 121.410 -0.610 1
1 1416 . 11 1 1 A 111 111 ASP H H 111 8.290 8.282 0.008 1
1 1417 . 11 1 1 A 111 111 ASP HA H 111 4.470 4.472 -0.002 1
1 1420 . 11 1 1 A 111 111 ASP C C 111 178.200 178.512 -0.312 1
1 1421 . 11 1 1 A 111 111 ASP CA C 111 57.100 57.162 -0.062 1
1 1422 . 11 1 1 A 111 111 ASP CB C 111 39.300 40.147 -0.847 1
1 1423 . 11 1 1 A 111 111 ASP N N 111 119.200 120.751 -1.551 1
1 1424 . 11 1 1 A 112 112 SER H H 112 7.800 8.015 -0.215 1
1 1425 . 11 1 1 A 112 112 SER HA H 112 4.200 4.197 0.003 1
1 1428 . 11 1 1 A 112 112 SER C C 112 178.600 176.737 1.863 1
1 1429 . 11 1 1 A 112 112 SER CA C 112 61.200 61.197 0.003 1
1 1430 . 11 1 1 A 112 112 SER CB C 112 64.200 62.725 1.475 1
1 1431 . 11 1 1 A 112 112 SER N N 112 114.700 115.308 -0.608 1
1 1432 . 11 1 1 A 113 113 PHE H H 113 9.160 8.446 0.714 1
1 1433 . 11 1 1 A 113 113 PHE HA H 113 3.210 4.642 -1.432 1
1 1436 . 11 1 1 A 113 113 PHE C C 113 178.100 177.888 0.212 1
1 1437 . 11 1 1 A 113 113 PHE CA C 113 62.900 61.950 0.950 1
1 1438 . 11 1 1 A 113 113 PHE CB C 113 39.100 39.463 -0.363 1
1 1439 . 11 1 1 A 113 113 PHE N N 113 121.400 123.161 -1.761 1
1 1440 . 11 1 1 A 114 114 GLN H H 114 8.870 8.123 0.747 1
1 1441 . 11 1 1 A 114 114 GLN HA H 114 4.000 3.999 0.001 1
1 1448 . 11 1 1 A 114 114 GLN C C 114 179.700 177.459 2.241 1
1 1449 . 11 1 1 A 114 114 GLN CA C 114 58.300 58.804 -0.504 1
1 1450 . 11 1 1 A 114 114 GLN CB C 114 27.600 28.510 -0.910 1
1 1453 . 11 1 1 A 114 114 GLN N N 114 116.800 117.904 -1.104 1
1 1455 . 11 1 1 A 115 115 LEU H H 115 8.570 7.641 0.929 1
1 1456 . 11 1 1 A 115 115 LEU HA H 115 4.090 4.148 -0.058 1
1 1466 . 11 1 1 A 115 115 LEU C C 115 178.600 177.926 0.674 1
1 1467 . 11 1 1 A 115 115 LEU CA C 115 57.300 56.006 1.294 1
1 1468 . 11 1 1 A 115 115 LEU CB C 115 43.200 42.293 0.907 1
1 1472 . 11 1 1 A 115 115 LEU N N 115 119.800 118.862 0.938 1
1 1473 . 11 1 1 A 116 116 THR H H 116 7.240 7.540 -0.300 1
1 1474 . 11 1 1 A 116 116 THR HA H 116 4.270 4.468 -0.198 1
1 1480 . 11 1 1 A 116 116 THR C C 116 173.200 174.790 -1.590 1
1 1481 . 11 1 1 A 116 116 THR CA C 116 60.700 61.316 -0.616 1
1 1482 . 11 1 1 A 116 116 THR CB C 116 70.800 69.249 1.551 1
1 1484 . 11 1 1 A 116 116 THR N N 116 104.900 106.070 -1.170 1
1 1485 . 11 1 1 A 117 117 ARG H H 117 6.840 7.586 -0.746 1
1 1486 . 11 1 1 A 117 117 ARG HA H 117 3.060 3.999 -0.939 1
1 1494 . 11 1 1 A 117 117 ARG C C 117 175.200 176.102 -0.902 1
1 1495 . 11 1 1 A 117 117 ARG CA C 117 55.900 57.238 -1.338 1
1 1496 . 11 1 1 A 117 117 ARG CB C 117 31.100 30.787 0.313 1
1 1500 . 11 1 1 A 117 117 ARG N N 117 120.900 123.744 -2.844 1
1 1502 . 11 1 1 A 118 118 LEU H H 118 8.380 8.525 -0.145 1
1 1503 . 11 1 1 A 118 118 LEU HA H 118 4.100 4.206 -0.106 1
1 1513 . 11 1 1 A 118 118 LEU C C 118 176.500 176.730 -0.230 1
1 1514 . 11 1 1 A 118 118 LEU CA C 118 55.300 55.039 0.261 1
1 1515 . 11 1 1 A 118 118 LEU CB C 118 42.400 42.836 -0.436 1
1 1519 . 11 1 1 A 118 118 LEU N N 118 122.600 123.962 -1.362 1
1 1520 . 11 1 1 A 119 119 GLU H H 119 8.330 9.014 -0.684 1
1 1521 . 11 1 1 A 119 119 GLU HA H 119 4.160 3.921 0.239 1
1 1526 . 11 1 1 A 119 119 GLU C C 119 175.800 176.279 -0.479 1
1 1527 . 11 1 1 A 119 119 GLU CA C 119 56.000 57.398 -1.398 1
1 1528 . 11 1 1 A 119 119 GLU CB C 119 30.300 27.685 2.615 1
1 1530 . 11 1 1 A 119 119 GLU N N 119 124.000 119.063 4.937 1
1 1531 . 11 1 1 A 120 120 HIS H H 120 8.520 8.257 0.263 1
1 1532 . 11 1 1 A 120 120 HIS HA H 120 4.620 4.334 0.286 1
1 1535 . 11 1 1 A 120 120 HIS C C 120 174.000 177.471 -3.471 1
1 1536 . 11 1 1 A 120 120 HIS CA C 120 55.300 59.103 -3.803 1
1 1537 . 11 1 1 A 120 120 HIS CB C 120 29.300 30.554 -1.254 1
1 1538 . 11 1 1 A 120 120 HIS N N 120 120.100 118.939 1.161 1
1 1539 . 11 1 1 A 121 121 HIS H H 121 8.580 8.059 0.521 1
1 1540 . 11 1 1 A 121 121 HIS HA H 121 4.620 4.161 0.459 1
1 1543 . 11 1 1 A 121 121 HIS C C 121 173.500 175.186 -1.686 1
1 1544 . 11 1 1 A 121 121 HIS CA C 121 55.300 57.069 -1.769 1
1 1545 . 11 1 1 A 121 121 HIS CB C 121 29.200 29.716 -0.516 1
1 1546 . 11 1 1 A 121 121 HIS N N 121 120.800 117.498 3.302 1
1 1547 . 11 1 1 A 122 122 HIS H H 122 8.400 7.742 0.658 1
1 1548 . 11 1 1 A 122 122 HIS HA H 122 4.620 4.325 0.295 1
1 1551 . 11 1 1 A 122 122 HIS CA C 122 55.300 56.051 -0.751 1
1 1552 . 11 1 1 A 122 122 HIS CB C 122 29.200 30.727 -1.527 1
1 1553 . 11 1 1 A 122 122 HIS N N 122 125.700 118.026 7.674 1
1 1554 . 11 1 1 A 123 123 HIS H H 123 8.690 8.801 -0.111 1
1 1555 . 11 1 1 A 123 123 HIS HA H 123 4.640 4.566 0.074 1
1 1558 . 11 1 1 A 123 123 HIS C C 123 174.100 177.219 -3.119 1
1 1559 . 11 1 1 A 123 123 HIS CA C 123 55.300 56.046 -0.746 1
1 1560 . 11 1 1 A 123 123 HIS CB C 123 29.300 30.269 -0.969 1
1 1561 . 11 1 1 A 123 123 HIS N N 123 120.200 121.225 -1.025 1
1 1562 . 11 1 1 A 124 124 HIS H H 124 8.710 8.855 -0.145 1
1 1563 . 11 1 1 A 124 124 HIS HA H 124 4.640 4.237 0.403 1
1 1566 . 11 1 1 A 124 124 HIS C C 124 174.200 175.019 -0.819 1
1 1567 . 11 1 1 A 124 124 HIS CA C 124 55.300 58.230 -2.930 1
1 1568 . 11 1 1 A 124 124 HIS CB C 124 29.300 29.522 -0.222 1
1 14 . 12 1 1 A 2 2 ASN H H 2 8.500 9.744 -1.244 1
1 15 . 12 1 1 A 2 2 ASN HA H 2 4.990 5.044 -0.054 1
1 20 . 12 1 1 A 2 2 ASN C C 2 175.600 177.085 -1.485 1
1 21 . 12 1 1 A 2 2 ASN CA C 2 51.000 52.454 -1.454 1
1 22 . 12 1 1 A 2 2 ASN CB C 2 40.000 39.542 0.458 1
1 24 . 12 1 1 A 2 2 ASN N N 2 122.000 123.507 -1.507 1
1 26 . 12 1 1 A 3 3 ARG H H 3 8.950 9.066 -0.116 1
1 27 . 12 1 1 A 3 3 ARG HA H 3 3.850 3.994 -0.144 1
1 35 . 12 1 1 A 3 3 ARG C C 3 175.600 177.711 -2.111 1
1 36 . 12 1 1 A 3 3 ARG CA C 3 60.400 59.703 0.697 1
1 37 . 12 1 1 A 3 3 ARG CB C 3 30.900 29.914 0.986 1
1 41 . 12 1 1 A 3 3 ARG N N 3 117.600 123.746 -6.146 1
1 43 . 12 1 1 A 4 4 GLN H H 4 8.370 8.158 0.212 1
1 44 . 12 1 1 A 4 4 GLN HA H 4 3.900 4.113 -0.213 1
1 51 . 12 1 1 A 4 4 GLN C C 4 178.300 178.354 -0.054 1
1 52 . 12 1 1 A 4 4 GLN CA C 4 58.900 59.294 -0.394 1
1 53 . 12 1 1 A 4 4 GLN CB C 4 28.200 28.190 0.010 1
1 56 . 12 1 1 A 4 4 GLN N N 4 120.700 118.647 2.053 1
1 58 . 12 1 1 A 5 5 GLN H H 5 8.670 8.171 0.499 1
1 59 . 12 1 1 A 5 5 GLN HA H 5 4.190 4.103 0.087 1
1 66 . 12 1 1 A 5 5 GLN C C 5 180.000 178.617 1.383 1
1 67 . 12 1 1 A 5 5 GLN CA C 5 58.500 59.062 -0.562 1
1 68 . 12 1 1 A 5 5 GLN CB C 5 28.900 28.255 0.645 1
1 71 . 12 1 1 A 5 5 GLN N N 5 117.700 118.438 -0.738 1
1 73 . 12 1 1 A 6 6 PHE H H 6 8.270 8.021 0.249 1
1 74 . 12 1 1 A 6 6 PHE HA H 6 4.130 4.190 -0.060 1
1 82 . 12 1 1 A 6 6 PHE C C 6 175.500 177.496 -1.996 1
1 83 . 12 1 1 A 6 6 PHE CA C 6 62.700 61.258 1.442 1
1 84 . 12 1 1 A 6 6 PHE CB C 6 39.000 39.222 -0.222 1
1 90 . 12 1 1 A 6 6 PHE N N 6 121.200 121.722 -0.522 1
1 91 . 12 1 1 A 7 7 ILE H H 7 8.390 8.163 0.227 1
1 92 . 12 1 1 A 7 7 ILE HA H 7 3.280 3.784 -0.504 1
1 102 . 12 1 1 A 7 7 ILE C C 7 178.900 177.912 0.988 1
1 103 . 12 1 1 A 7 7 ILE CA C 7 66.400 65.636 0.764 1
1 104 . 12 1 1 A 7 7 ILE CB C 7 38.500 38.138 0.362 1
1 108 . 12 1 1 A 7 7 ILE N N 7 121.000 120.912 0.088 1
1 109 . 12 1 1 A 8 8 ASP H H 8 8.710 8.078 0.632 1
1 110 . 12 1 1 A 8 8 ASP HA H 8 4.370 4.285 0.085 1
1 113 . 12 1 1 A 8 8 ASP C C 8 178.000 177.848 0.152 1
1 114 . 12 1 1 A 8 8 ASP CA C 8 57.300 57.263 0.037 1
1 115 . 12 1 1 A 8 8 ASP CB C 8 40.600 40.929 -0.329 1
1 116 . 12 1 1 A 8 8 ASP N N 8 119.800 120.626 -0.826 1
1 117 . 12 1 1 A 9 9 TYR H H 9 8.060 8.708 -0.648 1
1 118 . 12 1 1 A 9 9 TYR HA H 9 4.000 4.161 -0.161 1
1 125 . 12 1 1 A 9 9 TYR C C 9 176.500 177.453 -0.953 1
1 126 . 12 1 1 A 9 9 TYR CA C 9 61.700 61.595 0.105 1
1 127 . 12 1 1 A 9 9 TYR CB C 9 38.600 38.506 0.094 1
1 132 . 12 1 1 A 9 9 TYR N N 9 121.600 121.075 0.525 1
1 133 . 12 1 1 A 10 10 ALA H H 10 8.340 8.333 0.007 1
1 134 . 12 1 1 A 10 10 ALA HA H 10 3.730 3.880 -0.150 1
1 138 . 12 1 1 A 10 10 ALA C C 10 180.200 179.820 0.380 1
1 139 . 12 1 1 A 10 10 ALA CA C 10 55.200 55.339 -0.139 1
1 140 . 12 1 1 A 10 10 ALA CB C 10 17.300 17.556 -0.256 1
1 141 . 12 1 1 A 10 10 ALA N N 10 120.700 121.808 -1.108 1
1 142 . 12 1 1 A 11 11 GLN H H 11 7.830 8.037 -0.207 1
1 143 . 12 1 1 A 11 11 GLN HA H 11 4.130 4.018 0.112 1
1 150 . 12 1 1 A 11 11 GLN C C 11 178.300 178.327 -0.027 1
1 151 . 12 1 1 A 11 11 GLN CA C 11 59.200 58.391 0.809 1
1 152 . 12 1 1 A 11 11 GLN CB C 11 28.600 28.217 0.383 1
1 155 . 12 1 1 A 11 11 GLN N N 11 116.600 117.073 -0.473 1
1 157 . 12 1 1 A 12 12 LYS H H 12 8.040 7.785 0.255 1
1 158 . 12 1 1 A 12 12 LYS HA H 12 3.890 3.884 0.006 1
1 167 . 12 1 1 A 12 12 LYS C C 12 178.200 178.532 -0.332 1
1 168 . 12 1 1 A 12 12 LYS CA C 12 58.800 59.502 -0.702 1
1 169 . 12 1 1 A 12 12 LYS CB C 12 32.700 32.298 0.402 1
1 173 . 12 1 1 A 12 12 LYS N N 12 119.300 121.296 -1.996 1
1 174 . 12 1 1 A 13 13 LYS H H 13 8.440 7.530 0.910 1
1 175 . 12 1 1 A 13 13 LYS HA H 13 3.610 3.924 -0.314 1
1 184 . 12 1 1 A 13 13 LYS C C 13 177.600 176.458 1.142 1
1 185 . 12 1 1 A 13 13 LYS CA C 13 56.900 57.226 -0.326 1
1 186 . 12 1 1 A 13 13 LYS CB C 13 32.000 32.425 -0.425 1
1 190 . 12 1 1 A 13 13 LYS N N 13 117.700 118.094 -0.394 1
1 191 . 12 1 1 A 14 14 TYR H H 14 6.780 7.805 -1.025 1
1 192 . 12 1 1 A 14 14 TYR HA H 14 4.530 4.567 -0.037 1
1 199 . 12 1 1 A 14 14 TYR C C 14 175.800 174.852 0.948 1
1 200 . 12 1 1 A 14 14 TYR CA C 14 56.600 57.703 -1.103 1
1 201 . 12 1 1 A 14 14 TYR CB C 14 39.500 39.925 -0.425 1
1 206 . 12 1 1 A 14 14 TYR N N 14 113.100 116.881 -3.781 1
1 207 . 12 1 1 A 15 15 ASP H H 15 7.620 8.603 -0.983 1
1 208 . 12 1 1 A 15 15 ASP HA H 15 4.810 4.263 0.547 1
1 211 . 12 1 1 A 15 15 ASP C C 15 175.200 174.926 0.274 1
1 212 . 12 1 1 A 15 15 ASP CA C 15 55.100 54.929 0.171 1
1 213 . 12 1 1 A 15 15 ASP CB C 15 39.300 38.486 0.814 1
1 214 . 12 1 1 A 15 15 ASP N N 15 119.600 118.810 0.790 1
1 215 . 12 1 1 A 16 16 THR H H 16 7.560 7.824 -0.264 1
1 216 . 12 1 1 A 16 16 THR HA H 16 4.650 4.527 0.123 1
1 222 . 12 1 1 A 16 16 THR C C 16 173.200 173.767 -0.567 1
1 223 . 12 1 1 A 16 16 THR CA C 16 61.500 61.654 -0.154 1
1 224 . 12 1 1 A 16 16 THR CB C 16 71.000 70.487 0.513 1
1 226 . 12 1 1 A 16 16 THR N N 16 113.100 114.635 -1.535 1
1 227 . 12 1 1 A 17 17 LYS H H 17 8.830 8.440 0.390 1
1 228 . 12 1 1 A 17 17 LYS HA H 17 4.690 4.771 -0.081 1
1 235 . 12 1 1 A 17 17 LYS C C 17 173.200 174.544 -1.344 1
1 236 . 12 1 1 A 17 17 LYS CA C 17 53.600 54.095 -0.495 1
1 237 . 12 1 1 A 17 17 LYS CB C 17 32.800 31.883 0.917 1
1 241 . 12 1 1 A 17 17 LYS N N 17 127.200 126.399 0.801 1
1 242 . 12 1 1 A 18 18 PRO HA H 18 3.540 3.904 -0.364 1
1 249 . 12 1 1 A 18 18 PRO C C 18 175.800 175.482 0.318 1
1 250 . 12 1 1 A 18 18 PRO CA C 18 62.000 62.560 -0.560 1
1 251 . 12 1 1 A 18 18 PRO CB C 18 32.200 32.184 0.016 1
1 254 . 12 1 1 A 19 19 ASP H H 19 8.310 8.240 0.070 1
1 255 . 12 1 1 A 19 19 ASP HA H 19 4.740 5.011 -0.271 1
1 258 . 12 1 1 A 19 19 ASP C C 19 175.100 173.997 1.103 1
1 259 . 12 1 1 A 19 19 ASP CA C 19 52.300 52.423 -0.123 1
1 260 . 12 1 1 A 19 19 ASP CB C 19 43.700 44.303 -0.603 1
1 261 . 12 1 1 A 19 19 ASP N N 19 120.300 120.177 0.123 1
1 262 . 12 1 1 A 20 20 HIS H H 20 8.620 8.654 -0.034 1
1 263 . 12 1 1 A 20 20 HIS HA H 20 5.170 5.289 -0.119 1
1 266 . 12 1 1 A 20 20 HIS CA C 20 53.200 52.528 0.672 1
1 267 . 12 1 1 A 20 20 HIS CB C 20 28.800 29.986 -1.186 1
1 268 . 12 1 1 A 20 20 HIS N N 20 118.800 117.191 1.609 1
1 269 . 12 1 1 A 21 21 PRO HA H 21 4.190 4.133 0.057 1
1 276 . 12 1 1 A 21 21 PRO C C 21 176.600 176.160 0.440 1
1 277 . 12 1 1 A 21 21 PRO CA C 21 63.900 65.141 -1.241 1
1 278 . 12 1 1 A 21 21 PRO CB C 21 32.100 31.000 1.100 1
1 281 . 12 1 1 A 22 22 TRP H H 22 8.340 7.808 0.532 1
1 282 . 12 1 1 A 22 22 TRP HA H 22 5.000 4.777 0.223 1
1 291 . 12 1 1 A 22 22 TRP C C 22 174.200 176.839 -2.639 1
1 292 . 12 1 1 A 22 22 TRP CA C 22 57.100 57.274 -0.174 1
1 293 . 12 1 1 A 22 22 TRP CB C 22 29.400 30.567 -1.167 1
1 299 . 12 1 1 A 22 22 TRP N N 22 118.700 118.795 -0.095 1
1 301 . 12 1 1 A 23 23 GLU H H 23 9.030 8.934 0.096 1
1 302 . 12 1 1 A 23 23 GLU HA H 23 4.000 4.105 -0.105 1
1 307 . 12 1 1 A 23 23 GLU C C 23 177.900 177.520 0.380 1
1 308 . 12 1 1 A 23 23 GLU CA C 23 59.100 58.177 0.923 1
1 309 . 12 1 1 A 23 23 GLU CB C 23 29.200 29.822 -0.622 1
1 311 . 12 1 1 A 23 23 GLU N N 23 128.400 122.026 6.374 1
1 312 . 12 1 1 A 24 24 LYS H H 24 8.500 8.049 0.451 1
1 313 . 12 1 1 A 24 24 LYS HA H 24 3.890 3.997 -0.107 1
1 322 . 12 1 1 A 24 24 LYS C C 24 175.300 176.137 -0.837 1
1 323 . 12 1 1 A 24 24 LYS CA C 24 57.100 57.939 -0.839 1
1 324 . 12 1 1 A 24 24 LYS CB C 24 32.300 31.998 0.302 1
1 328 . 12 1 1 A 24 24 LYS N N 24 115.100 117.764 -2.664 1
1 329 . 12 1 1 A 25 25 PHE H H 25 7.010 7.913 -0.903 1
1 330 . 12 1 1 A 25 25 PHE HA H 25 4.740 4.987 -0.247 1
1 338 . 12 1 1 A 25 25 PHE C C 25 175.300 174.430 0.870 1
1 339 . 12 1 1 A 25 25 PHE CA C 25 54.300 54.738 -0.438 1
1 340 . 12 1 1 A 25 25 PHE CB C 25 39.200 38.451 0.749 1
1 346 . 12 1 1 A 25 25 PHE N N 25 115.100 117.471 -2.371 1
1 347 . 12 1 1 A 26 26 PRO HA H 26 4.380 4.779 -0.399 1
1 354 . 12 1 1 A 26 26 PRO C C 26 176.900 177.319 -0.419 1
1 355 . 12 1 1 A 26 26 PRO CA C 26 64.900 64.485 0.415 1
1 356 . 12 1 1 A 26 26 PRO CB C 26 32.200 31.829 0.371 1
1 359 . 12 1 1 A 27 27 ASP H H 27 8.860 8.542 0.318 1
1 360 . 12 1 1 A 27 27 ASP HA H 27 4.810 4.757 0.053 1
1 363 . 12 1 1 A 27 27 ASP C C 27 177.200 176.063 1.137 1
1 364 . 12 1 1 A 27 27 ASP CA C 27 53.900 54.470 -0.570 1
1 365 . 12 1 1 A 27 27 ASP CB C 27 39.900 40.254 -0.354 1
1 366 . 12 1 1 A 27 27 ASP N N 27 114.400 116.392 -1.992 1
1 367 . 12 1 1 A 28 28 TYR H H 28 8.300 7.766 0.534 1
1 368 . 12 1 1 A 28 28 TYR HA H 28 5.500 4.819 0.681 1
1 375 . 12 1 1 A 28 28 TYR C C 28 175.900 176.396 -0.496 1
1 376 . 12 1 1 A 28 28 TYR CA C 28 55.600 57.998 -2.398 1
1 377 . 12 1 1 A 28 28 TYR CB C 28 36.400 40.347 -3.947 1
1 382 . 12 1 1 A 28 28 TYR N N 28 123.700 120.645 3.055 1
1 383 . 12 1 1 A 29 29 ALA H H 29 9.240 8.369 0.871 1
1 384 . 12 1 1 A 29 29 ALA HA H 29 5.030 5.054 -0.024 1
1 388 . 12 1 1 A 29 29 ALA C C 29 174.600 175.672 -1.072 1
1 389 . 12 1 1 A 29 29 ALA CA C 29 49.700 50.524 -0.824 1
1 390 . 12 1 1 A 29 29 ALA CB C 29 22.800 22.135 0.665 1
1 391 . 12 1 1 A 29 29 ALA N N 29 126.000 124.491 1.509 1
1 392 . 12 1 1 A 30 30 VAL H H 30 8.530 8.385 0.145 1
1 393 . 12 1 1 A 30 30 VAL HA H 30 4.250 4.711 -0.461 1
1 401 . 12 1 1 A 30 30 VAL C C 30 173.400 174.535 -1.135 1
1 402 . 12 1 1 A 30 30 VAL CA C 30 60.300 60.842 -0.542 1
1 403 . 12 1 1 A 30 30 VAL CB C 30 34.100 35.224 -1.124 1
1 406 . 12 1 1 A 30 30 VAL N N 30 119.700 121.949 -2.249 1
1 407 . 12 1 1 A 31 31 PHE H H 31 8.040 8.540 -0.500 1
1 408 . 12 1 1 A 31 31 PHE HA H 31 4.250 5.197 -0.947 1
1 416 . 12 1 1 A 31 31 PHE C C 31 173.200 174.855 -1.655 1
1 417 . 12 1 1 A 31 31 PHE CA C 31 56.700 56.427 0.273 1
1 418 . 12 1 1 A 31 31 PHE CB C 31 38.500 41.633 -3.133 1
1 424 . 12 1 1 A 31 31 PHE N N 31 124.100 125.962 -1.862 1
1 425 . 12 1 1 A 32 32 ARG H H 32 8.720 8.997 -0.277 1
1 426 . 12 1 1 A 32 32 ARG HA H 32 5.320 4.876 0.444 1
1 434 . 12 1 1 A 32 32 ARG C C 32 176.400 173.804 2.596 1
1 435 . 12 1 1 A 32 32 ARG CA C 32 53.400 53.991 -0.591 1
1 436 . 12 1 1 A 32 32 ARG CB C 32 34.200 33.096 1.104 1
1 440 . 12 1 1 A 32 32 ARG N N 32 122.300 119.528 2.772 1
1 442 . 12 1 1 A 33 33 HIS H H 33 8.560 8.885 -0.325 1
1 443 . 12 1 1 A 33 33 HIS HA H 33 4.710 4.856 -0.146 1
1 446 . 12 1 1 A 33 33 HIS C C 33 176.400 175.308 1.092 1
1 447 . 12 1 1 A 33 33 HIS CA C 33 56.500 54.407 2.093 1
1 448 . 12 1 1 A 33 33 HIS CB C 33 28.900 30.683 -1.783 1
1 449 . 12 1 1 A 33 33 HIS N N 33 119.800 124.394 -4.594 1
1 450 . 12 1 1 A 34 34 SER H H 34 9.160 8.834 0.326 1
1 451 . 12 1 1 A 34 34 SER HA H 34 4.390 4.064 0.326 1
1 454 . 12 1 1 A 34 34 SER C C 34 174.900 174.609 0.291 1
1 455 . 12 1 1 A 34 34 SER CA C 34 60.400 61.009 -0.609 1
1 456 . 12 1 1 A 34 34 SER CB C 34 63.200 62.969 0.231 1
1 457 . 12 1 1 A 34 34 SER N N 34 118.700 122.668 -3.968 1
1 458 . 12 1 1 A 35 35 ASP H H 35 8.660 7.506 1.154 1
1 459 . 12 1 1 A 35 35 ASP HA H 35 4.570 4.299 0.271 1
1 462 . 12 1 1 A 35 35 ASP C C 35 177.000 176.598 0.402 1
1 463 . 12 1 1 A 35 35 ASP CA C 35 54.300 55.173 -0.873 1
1 464 . 12 1 1 A 35 35 ASP CB C 35 39.700 40.660 -0.960 1
1 465 . 12 1 1 A 35 35 ASP N N 35 118.200 120.554 -2.354 1
1 466 . 12 1 1 A 36 36 ASN H H 36 7.900 7.584 0.316 1
1 467 . 12 1 1 A 36 36 ASN HA H 36 4.660 4.964 -0.304 1
1 472 . 12 1 1 A 36 36 ASN C C 36 175.100 175.027 0.073 1
1 473 . 12 1 1 A 36 36 ASN CA C 36 52.000 52.278 -0.278 1
1 474 . 12 1 1 A 36 36 ASN CB C 36 38.900 38.859 0.041 1
1 476 . 12 1 1 A 36 36 ASN N N 36 116.200 117.605 -1.405 1
1 478 . 12 1 1 A 37 37 ASP H H 37 7.890 8.441 -0.551 1
1 479 . 12 1 1 A 37 37 ASP HA H 37 4.670 4.796 -0.126 1
1 482 . 12 1 1 A 37 37 ASP C C 37 175.800 175.371 0.429 1
1 483 . 12 1 1 A 37 37 ASP CA C 37 55.800 56.648 -0.848 1
1 484 . 12 1 1 A 37 37 ASP CB C 37 40.500 40.626 -0.126 1
1 485 . 12 1 1 A 37 37 ASP N N 37 115.300 120.356 -5.056 1
1 486 . 12 1 1 A 38 38 LYS H H 38 8.310 9.154 -0.844 1
1 487 . 12 1 1 A 38 38 LYS HA H 38 4.390 4.271 0.119 1
1 496 . 12 1 1 A 38 38 LYS C C 38 175.300 175.929 -0.629 1
1 497 . 12 1 1 A 38 38 LYS CA C 38 56.700 55.861 0.839 1
1 498 . 12 1 1 A 38 38 LYS CB C 38 32.500 31.826 0.674 1
1 502 . 12 1 1 A 38 38 LYS N N 38 119.300 114.304 4.996 1
1 503 . 12 1 1 A 39 39 TRP HA H 39 5.000 5.979 -0.979 1
1 512 . 12 1 1 A 39 39 TRP C C 39 176.100 174.456 1.644 1
1 513 . 12 1 1 A 39 39 TRP CA C 39 55.700 54.244 1.456 1
1 514 . 12 1 1 A 39 39 TRP CB C 39 30.300 33.066 -2.766 1
1 521 . 12 1 1 A 40 40 TYR H H 40 9.270 8.852 0.418 1
1 522 . 12 1 1 A 40 40 TYR HA H 40 5.280 5.074 0.206 1
1 525 . 12 1 1 A 40 40 TYR C C 40 175.400 175.434 -0.034 1
1 526 . 12 1 1 A 40 40 TYR CA C 40 55.700 56.268 -0.568 1
1 527 . 12 1 1 A 40 40 TYR CB C 40 40.300 42.323 -2.023 1
1 528 . 12 1 1 A 40 40 TYR N N 40 114.000 119.267 -5.267 1
1 529 . 12 1 1 A 41 41 ALA H H 41 7.760 8.770 -1.010 1
1 530 . 12 1 1 A 41 41 ALA HA H 41 5.580 5.071 0.509 1
1 534 . 12 1 1 A 41 41 ALA C C 41 177.300 176.037 1.263 1
1 535 . 12 1 1 A 41 41 ALA CA C 41 52.900 51.910 0.990 1
1 536 . 12 1 1 A 41 41 ALA CB C 41 21.900 20.500 1.400 1
1 537 . 12 1 1 A 41 41 ALA N N 41 121.500 123.892 -2.392 1
1 538 . 12 1 1 A 42 42 LEU H H 42 8.300 9.088 -0.788 1
1 539 . 12 1 1 A 42 42 LEU HA H 42 5.200 5.294 -0.094 1
1 549 . 12 1 1 A 42 42 LEU C C 42 173.300 175.075 -1.775 1
1 550 . 12 1 1 A 42 42 LEU CA C 42 54.100 53.411 0.689 1
1 551 . 12 1 1 A 42 42 LEU CB C 42 45.900 43.864 2.036 1
1 555 . 12 1 1 A 42 42 LEU N N 42 123.700 124.058 -0.358 1
1 556 . 12 1 1 A 43 43 LEU H H 43 9.700 8.515 1.185 1
1 557 . 12 1 1 A 43 43 LEU HA H 43 5.250 5.064 0.186 1
1 567 . 12 1 1 A 43 43 LEU C C 43 173.300 174.996 -1.696 1
1 568 . 12 1 1 A 43 43 LEU CA C 43 54.000 53.751 0.249 1
1 569 . 12 1 1 A 43 43 LEU CB C 43 46.000 45.731 0.269 1
1 573 . 12 1 1 A 43 43 LEU N N 43 130.400 126.863 3.537 1
1 574 . 12 1 1 A 44 44 MET H H 44 8.800 8.373 0.427 1
1 575 . 12 1 1 A 44 44 MET HA H 44 4.420 4.704 -0.284 1
1 583 . 12 1 1 A 44 44 MET C C 44 172.500 173.489 -0.989 1
1 584 . 12 1 1 A 44 44 MET CA C 44 55.000 53.648 1.352 1
1 585 . 12 1 1 A 44 44 MET CB C 44 39.100 35.014 4.086 1
1 588 . 12 1 1 A 44 44 MET N N 44 122.800 122.025 0.775 1
1 589 . 12 1 1 A 45 45 ASP H H 45 7.960 8.601 -0.641 1
1 590 . 12 1 1 A 45 45 ASP HA H 45 5.490 5.650 -0.160 1
1 593 . 12 1 1 A 45 45 ASP C C 45 175.200 175.422 -0.222 1
1 594 . 12 1 1 A 45 45 ASP CA C 45 51.900 52.551 -0.651 1
1 595 . 12 1 1 A 45 45 ASP CB C 45 40.800 42.469 -1.669 1
1 596 . 12 1 1 A 45 45 ASP N N 45 119.400 118.797 0.603 1
1 597 . 12 1 1 A 46 46 ILE H H 46 8.800 8.330 0.470 1
1 598 . 12 1 1 A 46 46 ILE HA H 46 4.870 4.921 -0.051 1
1 608 . 12 1 1 A 46 46 ILE CA C 46 57.700 57.099 0.601 1
1 609 . 12 1 1 A 46 46 ILE CB C 46 40.100 40.004 0.096 1
1 613 . 12 1 1 A 46 46 ILE N N 46 117.400 119.902 -2.502 1
1 614 . 12 1 1 A 47 47 PRO HA H 47 4.420 4.481 -0.061 1
1 621 . 12 1 1 A 47 47 PRO C C 47 177.800 177.444 0.356 1
1 622 . 12 1 1 A 47 47 PRO CA C 47 63.000 63.073 -0.073 1
1 623 . 12 1 1 A 47 47 PRO CB C 47 31.900 32.636 -0.736 1
1 626 . 12 1 1 A 48 48 ALA H H 48 8.550 8.998 -0.448 1
1 627 . 12 1 1 A 48 48 ALA HA H 48 3.550 4.005 -0.455 1
1 631 . 12 1 1 A 48 48 ALA C C 48 179.200 179.747 -0.547 1
1 632 . 12 1 1 A 48 48 ALA CA C 48 55.200 54.854 0.346 1
1 633 . 12 1 1 A 48 48 ALA CB C 48 17.700 18.168 -0.468 1
1 634 . 12 1 1 A 48 48 ALA N N 48 130.100 127.128 2.972 1
1 635 . 12 1 1 A 49 49 GLU H H 49 8.700 8.122 0.578 1
1 636 . 12 1 1 A 49 49 GLU HA H 49 4.180 4.257 -0.077 1
1 641 . 12 1 1 A 49 49 GLU C C 49 179.800 178.295 1.505 1
1 642 . 12 1 1 A 49 49 GLU CA C 49 58.200 59.099 -0.899 1
1 643 . 12 1 1 A 49 49 GLU CB C 49 28.200 28.648 -0.448 1
1 645 . 12 1 1 A 49 49 GLU N N 49 114.900 116.319 -1.419 1
1 646 . 12 1 1 A 50 50 LYS H H 50 7.910 7.571 0.339 1
1 647 . 12 1 1 A 50 50 LYS HA H 50 4.060 3.978 0.082 1
1 656 . 12 1 1 A 50 50 LYS C C 50 178.100 178.916 -0.816 1
1 657 . 12 1 1 A 50 50 LYS CA C 50 56.900 59.132 -2.232 1
1 658 . 12 1 1 A 50 50 LYS CB C 50 31.700 32.449 -0.749 1
1 662 . 12 1 1 A 50 50 LYS N N 50 118.100 118.225 -0.125 1
1 663 . 12 1 1 A 51 51 ILE H H 51 7.190 7.627 -0.437 1
1 664 . 12 1 1 A 51 51 ILE HA H 51 4.490 3.978 0.512 1
1 674 . 12 1 1 A 51 51 ILE C C 51 175.300 176.394 -1.094 1
1 675 . 12 1 1 A 51 51 ILE CA C 51 60.100 60.496 -0.396 1
1 676 . 12 1 1 A 51 51 ILE CB C 51 37.400 37.057 0.343 1
1 680 . 12 1 1 A 51 51 ILE N N 51 109.000 112.960 -3.960 1
1 681 . 12 1 1 A 52 52 GLY H H 52 7.370 7.669 -0.299 1
1 682 . 12 1 1 A 52 52 GLY HA2 H 52 4.050 3.842 0.208 1
1 683 . 12 1 1 A 52 52 GLY HA3 H 52 3.730 3.887 -0.157 1
1 684 . 12 1 1 A 52 52 GLY C C 52 174.200 174.070 0.130 1
1 685 . 12 1 1 A 52 52 GLY CA C 52 46.100 44.861 1.239 1
1 686 . 12 1 1 A 52 52 GLY N N 52 106.900 110.858 -3.958 1
1 687 . 12 1 1 A 53 53 ILE H H 53 7.260 6.987 0.273 1
1 688 . 12 1 1 A 53 53 ILE HA H 53 4.040 3.951 0.089 1
1 698 . 12 1 1 A 53 53 ILE C C 53 174.700 175.671 -0.971 1
1 699 . 12 1 1 A 53 53 ILE CA C 53 60.500 60.622 -0.122 1
1 700 . 12 1 1 A 53 53 ILE CB C 53 38.700 37.219 1.481 1
1 704 . 12 1 1 A 53 53 ILE N N 53 121.900 122.729 -0.829 1
1 705 . 12 1 1 A 54 54 ASN H H 54 8.280 8.818 -0.538 1
1 706 . 12 1 1 A 54 54 ASN HA H 54 4.540 4.712 -0.172 1
1 711 . 12 1 1 A 54 54 ASN C C 54 175.400 174.179 1.221 1
1 712 . 12 1 1 A 54 54 ASN CA C 54 53.700 52.771 0.929 1
1 713 . 12 1 1 A 54 54 ASN CB C 54 39.000 37.879 1.121 1
1 715 . 12 1 1 A 54 54 ASN N N 54 123.300 126.877 -3.577 1
1 717 . 12 1 1 A 55 55 GLY H H 55 8.240 8.072 0.168 1
1 718 . 12 1 1 A 55 55 GLY HA2 H 55 4.230 4.137 0.093 1
1 719 . 12 1 1 A 55 55 GLY HA3 H 55 3.740 4.140 -0.400 1
1 720 . 12 1 1 A 55 55 GLY C C 55 173.200 173.400 -0.200 1
1 721 . 12 1 1 A 55 55 GLY CA C 55 44.800 45.998 -1.198 1
1 722 . 12 1 1 A 55 55 GLY N N 55 110.200 112.422 -2.222 1
1 723 . 12 1 1 A 56 56 ASP H H 56 8.320 8.534 -0.214 1
1 724 . 12 1 1 A 56 56 ASP HA H 56 4.700 4.764 -0.064 1
1 727 . 12 1 1 A 56 56 ASP C C 56 175.800 176.006 -0.206 1
1 728 . 12 1 1 A 56 56 ASP CA C 56 53.400 54.232 -0.832 1
1 729 . 12 1 1 A 56 56 ASP CB C 56 40.500 41.101 -0.601 1
1 730 . 12 1 1 A 56 56 ASP N N 56 119.000 121.018 -2.018 1
1 731 . 12 1 1 A 57 57 LYS H H 57 7.780 7.289 0.491 1
1 732 . 12 1 1 A 57 57 LYS HA H 57 4.400 4.383 0.017 1
1 741 . 12 1 1 A 57 57 LYS C C 57 175.700 176.222 -0.522 1
1 742 . 12 1 1 A 57 57 LYS CA C 57 55.600 56.466 -0.866 1
1 743 . 12 1 1 A 57 57 LYS CB C 57 33.700 32.858 0.842 1
1 747 . 12 1 1 A 57 57 LYS N N 57 119.500 119.193 0.307 1
1 748 . 12 1 1 A 58 58 ARG H H 58 8.410 8.672 -0.262 1
1 749 . 12 1 1 A 58 58 ARG HA H 58 4.740 4.574 0.166 1
1 757 . 12 1 1 A 58 58 ARG C C 58 176.200 176.348 -0.148 1
1 758 . 12 1 1 A 58 58 ARG CA C 58 55.300 56.179 -0.879 1
1 759 . 12 1 1 A 58 58 ARG CB C 58 31.700 30.947 0.753 1
1 763 . 12 1 1 A 58 58 ARG N N 58 120.900 123.334 -2.434 1
1 765 . 12 1 1 A 59 59 VAL H H 59 9.030 8.583 0.447 1
1 766 . 12 1 1 A 59 59 VAL HA H 59 4.570 4.885 -0.315 1
1 774 . 12 1 1 A 59 59 VAL C C 59 173.900 174.218 -0.318 1
1 775 . 12 1 1 A 59 59 VAL CA C 59 58.700 58.503 0.197 1
1 776 . 12 1 1 A 59 59 VAL CB C 59 34.700 35.655 -0.955 1
1 779 . 12 1 1 A 59 59 VAL N N 59 115.600 118.458 -2.858 1
1 780 . 12 1 1 A 60 60 ASP H H 60 8.290 8.444 -0.154 1
1 781 . 12 1 1 A 60 60 ASP HA H 60 5.560 5.127 0.433 1
1 784 . 12 1 1 A 60 60 ASP C C 60 175.800 175.913 -0.113 1
1 785 . 12 1 1 A 60 60 ASP CA C 60 53.600 54.066 -0.466 1
1 786 . 12 1 1 A 60 60 ASP CB C 60 43.100 42.086 1.014 1
1 787 . 12 1 1 A 60 60 ASP N N 60 120.700 121.254 -0.554 1
1 788 . 12 1 1 A 61 61 VAL H H 61 9.080 8.649 0.431 1
1 789 . 12 1 1 A 61 61 VAL HA H 61 5.150 5.282 -0.132 1
1 797 . 12 1 1 A 61 61 VAL C C 61 173.800 174.237 -0.437 1
1 798 . 12 1 1 A 61 61 VAL CA C 61 57.600 59.050 -1.450 1
1 799 . 12 1 1 A 61 61 VAL CB C 61 35.500 35.886 -0.386 1
1 802 . 12 1 1 A 61 61 VAL N N 61 115.200 117.698 -2.498 1
1 803 . 12 1 1 A 62 62 ILE H H 62 8.530 8.443 0.087 1
1 804 . 12 1 1 A 62 62 ILE HA H 62 5.550 5.142 0.408 1
1 814 . 12 1 1 A 62 62 ILE CA C 62 57.800 58.831 -1.031 1
1 815 . 12 1 1 A 62 62 ILE CB C 62 41.700 41.820 -0.120 1
1 819 . 12 1 1 A 62 62 ILE N N 62 112.000 119.434 -7.434 1
1 820 . 12 1 1 A 64 64 LEU HA H 64 4.960 5.128 -0.168 1
1 830 . 12 1 1 A 64 64 LEU C C 64 173.100 174.468 -1.368 1
1 831 . 12 1 1 A 64 64 LEU CA C 64 53.500 53.705 -0.205 1
1 832 . 12 1 1 A 64 64 LEU CB C 64 47.000 46.213 0.787 1
1 836 . 12 1 1 A 65 65 LYS H H 65 8.470 8.990 -0.520 1
1 837 . 12 1 1 A 65 65 LYS HA H 65 3.760 5.126 -1.366 1
1 846 . 12 1 1 A 65 65 LYS C C 65 175.100 176.454 -1.354 1
1 847 . 12 1 1 A 65 65 LYS CA C 65 55.700 56.364 -0.664 1
1 848 . 12 1 1 A 65 65 LYS CB C 65 33.600 33.461 0.139 1
1 852 . 12 1 1 A 65 65 LYS N N 65 126.700 128.745 -2.045 1
1 853 . 12 1 1 A 66 66 VAL H H 66 7.840 8.553 -0.713 1
1 854 . 12 1 1 A 66 66 VAL HA H 66 4.410 4.872 -0.462 1
1 862 . 12 1 1 A 66 66 VAL C C 66 175.300 174.760 0.540 1
1 863 . 12 1 1 A 66 66 VAL CA C 66 58.300 58.709 -0.409 1
1 864 . 12 1 1 A 66 66 VAL CB C 66 36.400 35.795 0.605 1
1 867 . 12 1 1 A 66 66 VAL N N 66 116.000 119.175 -3.175 1
1 868 . 12 1 1 A 67 67 GLN H H 67 8.620 8.615 0.005 1
1 869 . 12 1 1 A 67 67 GLN HA H 67 4.350 4.479 -0.129 1
1 876 . 12 1 1 A 67 67 GLN CA C 67 54.900 53.917 0.983 1
1 877 . 12 1 1 A 67 67 GLN CB C 67 27.600 28.209 -0.609 1
1 880 . 12 1 1 A 67 67 GLN N N 67 123.000 120.953 2.047 1
1 882 . 12 1 1 A 68 68 PRO HA H 68 4.200 4.204 -0.004 1
1 889 . 12 1 1 A 68 68 PRO C C 68 179.400 177.680 1.720 1
1 890 . 12 1 1 A 68 68 PRO CA C 68 65.100 65.171 -0.071 1
1 891 . 12 1 1 A 68 68 PRO CB C 68 31.700 31.800 -0.100 1
1 894 . 12 1 1 A 69 69 GLU H H 69 9.620 8.429 1.191 1
1 895 . 12 1 1 A 69 69 GLU HA H 69 4.190 4.247 -0.057 1
1 900 . 12 1 1 A 69 69 GLU C C 69 177.100 177.819 -0.719 1
1 901 . 12 1 1 A 69 69 GLU CA C 69 58.600 58.121 0.479 1
1 902 . 12 1 1 A 69 69 GLU CB C 69 28.100 30.027 -1.927 1
1 904 . 12 1 1 A 69 69 GLU N N 69 116.900 116.612 0.288 1
1 905 . 12 1 1 A 70 70 LEU H H 70 7.940 7.673 0.267 1
1 906 . 12 1 1 A 70 70 LEU HA H 70 4.460 4.308 0.152 1
1 916 . 12 1 1 A 70 70 LEU C C 70 177.600 178.417 -0.817 1
1 917 . 12 1 1 A 70 70 LEU CA C 70 54.500 55.060 -0.560 1
1 918 . 12 1 1 A 70 70 LEU CB C 70 42.800 42.158 0.642 1
1 922 . 12 1 1 A 70 70 LEU N N 70 118.700 119.157 -0.457 1
1 923 . 12 1 1 A 71 71 VAL H H 71 7.080 7.714 -0.634 1
1 924 . 12 1 1 A 71 71 VAL HA H 71 3.210 3.707 -0.497 1
1 932 . 12 1 1 A 71 71 VAL C C 71 176.800 177.767 -0.967 1
1 933 . 12 1 1 A 71 71 VAL CA C 71 67.700 65.842 1.858 1
1 934 . 12 1 1 A 71 71 VAL CB C 71 32.000 31.364 0.636 1
1 937 . 12 1 1 A 71 71 VAL N N 71 120.300 119.915 0.385 1
1 938 . 12 1 1 A 72 72 GLY H H 72 8.540 8.239 0.301 1
1 939 . 12 1 1 A 72 72 GLY HA2 H 72 3.770 3.783 -0.013 1
1 940 . 12 1 1 A 72 72 GLY HA3 H 72 3.630 3.783 -0.153 1
1 941 . 12 1 1 A 72 72 GLY C C 72 176.300 175.974 0.326 1
1 942 . 12 1 1 A 72 72 GLY CA C 72 47.000 47.514 -0.514 1
1 943 . 12 1 1 A 72 72 GLY N N 72 105.300 109.112 -3.812 1
1 944 . 12 1 1 A 73 73 SER H H 73 7.870 8.182 -0.312 1
1 945 . 12 1 1 A 73 73 SER HA H 73 4.170 4.199 -0.029 1
1 948 . 12 1 1 A 73 73 SER C C 73 178.000 177.115 0.885 1
1 949 . 12 1 1 A 73 73 SER CA C 73 60.600 61.348 -0.748 1
1 950 . 12 1 1 A 73 73 SER CB C 73 62.700 63.022 -0.322 1
1 951 . 12 1 1 A 73 73 SER N N 73 115.700 116.702 -1.002 1
1 952 . 12 1 1 A 74 74 LEU H H 74 8.340 7.932 0.408 1
1 953 . 12 1 1 A 74 74 LEU HA H 74 4.000 4.096 -0.096 1
1 963 . 12 1 1 A 74 74 LEU C C 74 178.400 178.448 -0.048 1
1 964 . 12 1 1 A 74 74 LEU CA C 74 57.900 57.648 0.252 1
1 965 . 12 1 1 A 74 74 LEU CB C 74 41.700 41.647 0.053 1
1 969 . 12 1 1 A 74 74 LEU N N 74 124.600 122.315 2.285 1
1 970 . 12 1 1 A 75 75 ARG H H 75 7.850 8.451 -0.601 1
1 971 . 12 1 1 A 75 75 ARG HA H 75 3.750 3.931 -0.181 1
1 979 . 12 1 1 A 75 75 ARG C C 75 176.500 178.272 -1.772 1
1 980 . 12 1 1 A 75 75 ARG CA C 75 57.800 59.206 -1.406 1
1 981 . 12 1 1 A 75 75 ARG CB C 75 29.500 29.759 -0.259 1
1 985 . 12 1 1 A 75 75 ARG N N 75 113.300 118.423 -5.123 1
1 987 . 12 1 1 A 76 76 LYS H H 76 7.100 8.061 -0.961 1
1 988 . 12 1 1 A 76 76 LYS HA H 76 4.210 3.999 0.211 1
1 997 . 12 1 1 A 76 76 LYS C C 76 177.000 177.253 -0.253 1
1 998 . 12 1 1 A 76 76 LYS CA C 76 56.500 59.105 -2.605 1
1 999 . 12 1 1 A 76 76 LYS CB C 76 32.700 31.993 0.707 1
1 1003 . 12 1 1 A 76 76 LYS N N 76 116.600 119.053 -2.453 1
1 1004 . 12 1 1 A 77 77 LYS H H 77 7.830 7.268 0.562 1
1 1005 . 12 1 1 A 77 77 LYS HA H 77 4.470 4.404 0.066 1
1 1014 . 12 1 1 A 77 77 LYS CA C 77 54.500 54.949 -0.449 1
1 1015 . 12 1 1 A 77 77 LYS CB C 77 31.800 33.075 -1.275 1
1 1019 . 12 1 1 A 77 77 LYS N N 77 122.900 120.204 2.696 1
1 1020 . 12 1 1 A 78 78 PRO HA H 78 4.190 4.131 0.059 1
1 1027 . 12 1 1 A 78 78 PRO C C 78 176.600 177.121 -0.521 1
1 1028 . 12 1 1 A 78 78 PRO CA C 78 63.700 63.592 0.108 1
1 1029 . 12 1 1 A 78 78 PRO CB C 78 31.900 31.614 0.286 1
1 1032 . 12 1 1 A 79 79 GLY H H 79 8.290 8.643 -0.353 1
1 1033 . 12 1 1 A 79 79 GLY HA2 H 79 4.350 3.875 0.475 1
1 1034 . 12 1 1 A 79 79 GLY HA3 H 79 3.590 3.888 -0.298 1
1 1035 . 12 1 1 A 79 79 GLY C C 79 172.000 173.642 -1.642 1
1 1036 . 12 1 1 A 79 79 GLY CA C 79 45.500 45.202 0.298 1
1 1037 . 12 1 1 A 79 79 GLY N N 79 109.300 111.007 -1.707 1
1 1038 . 12 1 1 A 80 80 ILE H H 80 7.300 7.423 -0.123 1
1 1039 . 12 1 1 A 80 80 ILE HA H 80 4.770 4.274 0.496 1
1 1049 . 12 1 1 A 80 80 ILE C C 80 174.200 174.907 -0.707 1
1 1050 . 12 1 1 A 80 80 ILE CA C 80 60.500 60.548 -0.048 1
1 1051 . 12 1 1 A 80 80 ILE CB C 80 37.000 39.186 -2.186 1
1 1055 . 12 1 1 A 80 80 ILE N N 80 119.200 122.293 -3.093 1
1 1056 . 12 1 1 A 81 81 TYR H H 81 9.490 8.632 0.858 1
1 1057 . 12 1 1 A 81 81 TYR HA H 81 4.840 4.991 -0.151 1
1 1064 . 12 1 1 A 81 81 TYR CA C 81 56.800 55.761 1.039 1
1 1065 . 12 1 1 A 81 81 TYR CB C 81 39.800 39.624 0.176 1
1 1070 . 12 1 1 A 81 81 TYR N N 81 126.100 126.688 -0.588 1
1 1071 . 12 1 1 A 82 82 PRO HA H 82 4.610 4.544 0.066 1
1 1078 . 12 1 1 A 82 82 PRO CA C 82 62.300 63.047 -0.747 1
1 1079 . 12 1 1 A 82 82 PRO CB C 82 32.000 32.127 -0.127 1
1 1082 . 12 1 1 A 83 83 ALA HA H 83 4.140 4.737 -0.597 1
1 1086 . 12 1 1 A 84 84 TYR HA H 84 4.470 4.688 -0.218 1
1 1093 . 12 1 1 A 84 84 TYR CA C 84 57.500 57.842 -0.342 1
1 1094 . 12 1 1 A 84 84 TYR CB C 84 39.500 38.634 0.866 1
1 1099 . 12 1 1 A 87 87 ASN HA H 87 4.410 4.241 0.169 1
1 1104 . 12 1 1 A 87 87 ASN C C 87 176.500 174.922 1.578 1
1 1105 . 12 1 1 A 87 87 ASN CA C 87 55.100 55.326 -0.226 1
1 1106 . 12 1 1 A 87 87 ASN CB C 87 40.600 36.663 3.937 1
1 1109 . 12 1 1 A 88 88 LYS H H 88 8.710 8.562 0.148 1
1 1110 . 12 1 1 A 88 88 LYS HA H 88 4.320 4.188 0.132 1
1 1119 . 12 1 1 A 88 88 LYS C C 88 177.600 177.564 0.036 1
1 1120 . 12 1 1 A 88 88 LYS CA C 88 58.100 58.229 -0.129 1
1 1121 . 12 1 1 A 88 88 LYS CB C 88 33.000 32.333 0.667 1
1 1125 . 12 1 1 A 88 88 LYS N N 88 123.800 119.192 4.608 1
1 1126 . 12 1 1 A 89 89 GLU H H 89 8.390 9.169 -0.779 1
1 1127 . 12 1 1 A 89 89 GLU HA H 89 4.270 3.979 0.291 1
1 1132 . 12 1 1 A 89 89 GLU C C 89 176.500 179.727 -3.227 1
1 1133 . 12 1 1 A 89 89 GLU CA C 89 57.800 58.900 -1.100 1
1 1134 . 12 1 1 A 89 89 GLU CB C 89 30.100 29.287 0.813 1
1 1136 . 12 1 1 A 89 89 GLU N N 89 117.000 118.771 -1.771 1
1 1137 . 12 1 1 A 90 90 HIS H H 90 7.600 7.758 -0.158 1
1 1138 . 12 1 1 A 90 90 HIS HA H 90 4.580 4.163 0.417 1
1 1142 . 12 1 1 A 90 90 HIS C C 90 170.800 174.723 -3.923 1
1 1143 . 12 1 1 A 90 90 HIS CA C 90 55.500 58.825 -3.325 1
1 1144 . 12 1 1 A 90 90 HIS CB C 90 32.200 29.750 2.450 1
1 1145 . 12 1 1 A 90 90 HIS N N 90 111.500 116.560 -5.060 1
1 1146 . 12 1 1 A 91 91 TRP H H 91 7.650 7.593 0.057 1
1 1147 . 12 1 1 A 91 91 TRP HA H 91 5.610 5.375 0.235 1
1 1156 . 12 1 1 A 91 91 TRP C C 91 174.600 175.507 -0.907 1
1 1157 . 12 1 1 A 91 91 TRP CA C 91 55.500 56.246 -0.746 1
1 1158 . 12 1 1 A 91 91 TRP CB C 91 31.700 32.357 -0.657 1
1 1163 . 12 1 1 A 91 91 TRP N N 91 117.400 116.204 1.196 1
1 1165 . 12 1 1 A 92 92 ILE H H 92 9.100 8.725 0.375 1
1 1166 . 12 1 1 A 92 92 ILE HA H 92 4.630 4.803 -0.173 1
1 1176 . 12 1 1 A 92 92 ILE C C 92 174.500 174.760 -0.260 1
1 1177 . 12 1 1 A 92 92 ILE CA C 92 59.800 59.933 -0.133 1
1 1178 . 12 1 1 A 92 92 ILE CB C 92 42.500 42.619 -0.119 1
1 1182 . 12 1 1 A 92 92 ILE N N 92 111.700 122.483 -10.783 1
1 1183 . 12 1 1 A 93 93 THR H H 93 8.570 8.554 0.016 1
1 1184 . 12 1 1 A 93 93 THR HA H 93 4.250 4.647 -0.397 1
1 1190 . 12 1 1 A 93 93 THR CA C 93 61.800 62.403 -0.603 1
1 1191 . 12 1 1 A 93 93 THR CB C 93 70.200 69.888 0.312 1
1 1193 . 12 1 1 A 93 93 THR N N 93 117.600 123.467 -5.867 1
1 1194 . 12 1 1 A 94 94 VAL HA H 94 4.680 4.718 -0.038 1
1 1202 . 12 1 1 A 94 94 VAL C C 94 175.400 174.771 0.629 1
1 1203 . 12 1 1 A 94 94 VAL CA C 94 60.700 60.879 -0.179 1
1 1204 . 12 1 1 A 94 94 VAL CB C 94 34.100 34.526 -0.426 1
1 1207 . 12 1 1 A 95 95 LEU H H 95 8.080 8.492 -0.412 1
1 1208 . 12 1 1 A 95 95 LEU HA H 95 4.330 4.587 -0.257 1
1 1218 . 12 1 1 A 95 95 LEU C C 95 176.400 176.122 0.278 1
1 1219 . 12 1 1 A 95 95 LEU CA C 95 55.000 54.383 0.617 1
1 1220 . 12 1 1 A 95 95 LEU CB C 95 44.300 42.020 2.280 1
1 1224 . 12 1 1 A 95 95 LEU N N 95 127.500 127.784 -0.284 1
1 1225 . 12 1 1 A 96 96 LEU H H 96 8.050 8.224 -0.174 1
1 1226 . 12 1 1 A 96 96 LEU HA H 96 4.150 4.077 0.073 1
1 1236 . 12 1 1 A 96 96 LEU C C 96 177.400 178.750 -1.350 1
1 1237 . 12 1 1 A 96 96 LEU CA C 96 56.500 58.116 -1.616 1
1 1238 . 12 1 1 A 96 96 LEU CB C 96 40.500 41.530 -1.030 1
1 1242 . 12 1 1 A 96 96 LEU N N 96 128.100 127.093 1.007 1
1 1243 . 12 1 1 A 97 97 ASN H H 97 8.690 8.146 0.544 1
1 1244 . 12 1 1 A 97 97 ASN HA H 97 4.740 4.790 -0.050 1
1 1249 . 12 1 1 A 97 97 ASN C C 97 174.900 176.059 -1.159 1
1 1250 . 12 1 1 A 97 97 ASN CA C 97 53.000 54.134 -1.134 1
1 1251 . 12 1 1 A 97 97 ASN CB C 97 37.700 38.695 -0.995 1
1 1252 . 12 1 1 A 97 97 ASN N N 97 117.200 115.337 1.863 1
1 1254 . 12 1 1 A 98 98 GLY H H 98 7.820 8.084 -0.264 1
1 1255 . 12 1 1 A 98 98 GLY HA2 H 98 4.470 4.103 0.367 1
1 1256 . 12 1 1 A 98 98 GLY HA3 H 98 3.740 4.108 -0.368 1
1 1257 . 12 1 1 A 98 98 GLY C C 98 174.900 174.790 0.110 1
1 1258 . 12 1 1 A 98 98 GLY CA C 98 44.900 44.217 0.683 1
1 1259 . 12 1 1 A 98 98 GLY N N 98 108.600 108.155 0.445 1
1 1260 . 12 1 1 A 99 99 PRO HA H 99 4.380 4.591 -0.211 1
1 1267 . 12 1 1 A 99 99 PRO C C 99 177.400 176.311 1.089 1
1 1268 . 12 1 1 A 99 99 PRO CA C 99 63.900 63.671 0.229 1
1 1269 . 12 1 1 A 99 99 PRO CB C 99 32.400 32.514 -0.114 1
1 1272 . 12 1 1 A 100 100 LEU H H 100 7.750 7.484 0.266 1
1 1273 . 12 1 1 A 100 100 LEU HA H 100 4.280 4.238 0.042 1
1 1283 . 12 1 1 A 100 100 LEU C C 100 177.400 177.171 0.229 1
1 1284 . 12 1 1 A 100 100 LEU CA C 100 55.800 54.976 0.824 1
1 1285 . 12 1 1 A 100 100 LEU CB C 100 42.600 42.235 0.365 1
1 1289 . 12 1 1 A 100 100 LEU N N 100 120.300 121.152 -0.852 1
1 1290 . 12 1 1 A 101 101 GLY H H 101 8.620 8.038 0.582 1
1 1291 . 12 1 1 A 101 101 GLY HA2 H 101 4.110 4.146 -0.036 1
1 1292 . 12 1 1 A 101 101 GLY HA3 H 101 3.890 4.146 -0.256 1
1 1293 . 12 1 1 A 101 101 GLY C C 101 173.600 174.828 -1.228 1
1 1294 . 12 1 1 A 101 101 GLY CA C 101 44.300 44.550 -0.250 1
1 1295 . 12 1 1 A 101 101 GLY N N 101 110.600 110.450 0.150 1
1 1296 . 12 1 1 A 102 102 ALA H H 102 8.310 9.004 -0.694 1
1 1297 . 12 1 1 A 102 102 ALA HA H 102 3.520 3.998 -0.478 1
1 1301 . 12 1 1 A 102 102 ALA C C 102 178.900 180.053 -1.153 1
1 1302 . 12 1 1 A 102 102 ALA CA C 102 55.400 54.763 0.637 1
1 1303 . 12 1 1 A 102 102 ALA CB C 102 18.600 18.327 0.273 1
1 1304 . 12 1 1 A 102 102 ALA N N 102 122.000 123.586 -1.586 1
1 1305 . 12 1 1 A 103 103 LYS H H 103 8.360 7.932 0.428 1
1 1306 . 12 1 1 A 103 103 LYS HA H 103 3.730 4.103 -0.373 1
1 1315 . 12 1 1 A 103 103 LYS C C 103 179.400 179.083 0.317 1
1 1316 . 12 1 1 A 103 103 LYS CA C 103 60.000 59.319 0.681 1
1 1317 . 12 1 1 A 103 103 LYS CB C 103 31.900 32.112 -0.212 1
1 1321 . 12 1 1 A 103 103 LYS N N 103 116.500 116.537 -0.037 1
1 1322 . 12 1 1 A 104 104 GLU H H 104 7.890 7.896 -0.006 1
1 1323 . 12 1 1 A 104 104 GLU HA H 104 4.080 4.181 -0.101 1
1 1328 . 12 1 1 A 104 104 GLU C C 104 179.300 179.402 -0.102 1
1 1329 . 12 1 1 A 104 104 GLU CA C 104 59.500 59.115 0.385 1
1 1330 . 12 1 1 A 104 104 GLU CB C 104 29.100 29.523 -0.423 1
1 1332 . 12 1 1 A 104 104 GLU N N 104 120.000 118.774 1.226 1
1 1333 . 12 1 1 A 105 105 ILE H H 105 8.170 7.932 0.238 1
1 1334 . 12 1 1 A 105 105 ILE HA H 105 3.520 3.703 -0.183 1
1 1344 . 12 1 1 A 105 105 ILE C C 105 178.100 178.346 -0.246 1
1 1345 . 12 1 1 A 105 105 ILE CA C 105 66.700 65.363 1.337 1
1 1346 . 12 1 1 A 105 105 ILE CB C 105 37.700 37.731 -0.031 1
1 1350 . 12 1 1 A 105 105 ILE N N 105 119.500 120.488 -0.988 1
1 1351 . 12 1 1 A 106 106 HIS H H 106 8.930 8.061 0.869 1
1 1352 . 12 1 1 A 106 106 HIS HA H 106 4.230 4.040 0.190 1
1 1356 . 12 1 1 A 106 106 HIS C C 106 178.000 177.373 0.627 1
1 1357 . 12 1 1 A 106 106 HIS CA C 106 57.600 59.979 -2.379 1
1 1358 . 12 1 1 A 106 106 HIS CB C 106 28.400 29.358 -0.958 1
1 1360 . 12 1 1 A 106 106 HIS N N 106 116.700 120.105 -3.405 1
1 1361 . 12 1 1 A 107 107 SER H H 107 8.060 7.974 0.086 1
1 1362 . 12 1 1 A 107 107 SER HA H 107 4.310 4.017 0.293 1
1 1365 . 12 1 1 A 107 107 SER C C 107 175.900 176.323 -0.423 1
1 1366 . 12 1 1 A 107 107 SER CA C 107 62.200 61.781 0.419 1
1 1367 . 12 1 1 A 107 107 SER CB C 107 62.500 63.007 -0.507 1
1 1368 . 12 1 1 A 107 107 SER N N 107 117.000 115.382 1.618 1
1 1369 . 12 1 1 A 108 108 LEU H H 108 7.950 8.074 -0.124 1
1 1370 . 12 1 1 A 108 108 LEU HA H 108 4.180 4.011 0.169 1
1 1380 . 12 1 1 A 108 108 LEU C C 108 180.600 178.984 1.616 1
1 1381 . 12 1 1 A 108 108 LEU CA C 108 57.900 58.001 -0.101 1
1 1382 . 12 1 1 A 108 108 LEU CB C 108 42.500 41.829 0.671 1
1 1386 . 12 1 1 A 108 108 LEU N N 108 121.800 120.309 1.491 1
1 1387 . 12 1 1 A 109 109 ILE H H 109 8.730 8.291 0.439 1
1 1388 . 12 1 1 A 109 109 ILE HA H 109 3.830 3.543 0.287 1
1 1398 . 12 1 1 A 109 109 ILE C C 109 176.800 177.962 -1.162 1
1 1399 . 12 1 1 A 109 109 ILE CA C 109 65.800 65.635 0.165 1
1 1400 . 12 1 1 A 109 109 ILE CB C 109 38.600 37.439 1.161 1
1 1404 . 12 1 1 A 109 109 ILE N N 109 120.200 119.922 0.278 1
1 1405 . 12 1 1 A 110 110 GLU H H 110 7.960 8.466 -0.506 1
1 1406 . 12 1 1 A 110 110 GLU HA H 110 4.280 3.899 0.381 1
1 1411 . 12 1 1 A 110 110 GLU C C 110 178.500 178.599 -0.099 1
1 1412 . 12 1 1 A 110 110 GLU CA C 110 58.800 59.894 -1.094 1
1 1413 . 12 1 1 A 110 110 GLU CB C 110 28.200 29.196 -0.996 1
1 1415 . 12 1 1 A 110 110 GLU N N 110 120.800 121.263 -0.463 1
1 1416 . 12 1 1 A 111 111 ASP H H 111 8.290 7.800 0.490 1
1 1417 . 12 1 1 A 111 111 ASP HA H 111 4.470 4.527 -0.057 1
1 1420 . 12 1 1 A 111 111 ASP C C 111 178.200 178.439 -0.239 1
1 1421 . 12 1 1 A 111 111 ASP CA C 111 57.100 57.132 -0.032 1
1 1422 . 12 1 1 A 111 111 ASP CB C 111 39.300 40.157 -0.857 1
1 1423 . 12 1 1 A 111 111 ASP N N 111 119.200 120.687 -1.487 1
1 1424 . 12 1 1 A 112 112 SER H H 112 7.800 7.829 -0.029 1
1 1425 . 12 1 1 A 112 112 SER HA H 112 4.200 4.320 -0.120 1
1 1428 . 12 1 1 A 112 112 SER C C 112 178.600 176.903 1.697 1
1 1429 . 12 1 1 A 112 112 SER CA C 112 61.200 61.051 0.149 1
1 1430 . 12 1 1 A 112 112 SER CB C 112 64.200 62.969 1.231 1
1 1431 . 12 1 1 A 112 112 SER N N 112 114.700 115.301 -0.601 1
1 1432 . 12 1 1 A 113 113 PHE H H 113 9.160 8.562 0.598 1
1 1433 . 12 1 1 A 113 113 PHE HA H 113 3.210 4.375 -1.165 1
1 1436 . 12 1 1 A 113 113 PHE C C 113 178.100 177.936 0.164 1
1 1437 . 12 1 1 A 113 113 PHE CA C 113 62.900 61.863 1.037 1
1 1438 . 12 1 1 A 113 113 PHE CB C 113 39.100 39.373 -0.273 1
1 1439 . 12 1 1 A 113 113 PHE N N 113 121.400 123.084 -1.684 1
1 1440 . 12 1 1 A 114 114 GLN H H 114 8.870 8.118 0.752 1
1 1441 . 12 1 1 A 114 114 GLN HA H 114 4.000 3.843 0.157 1
1 1448 . 12 1 1 A 114 114 GLN C C 114 179.700 179.390 0.310 1
1 1449 . 12 1 1 A 114 114 GLN CA C 114 58.300 58.938 -0.638 1
1 1450 . 12 1 1 A 114 114 GLN CB C 114 27.600 27.938 -0.338 1
1 1453 . 12 1 1 A 114 114 GLN N N 114 116.800 118.119 -1.319 1
1 1455 . 12 1 1 A 115 115 LEU H H 115 8.570 7.687 0.883 1
1 1456 . 12 1 1 A 115 115 LEU HA H 115 4.090 4.057 0.033 1
1 1466 . 12 1 1 A 115 115 LEU C C 115 178.600 178.077 0.523 1
1 1467 . 12 1 1 A 115 115 LEU CA C 115 57.300 57.872 -0.572 1
1 1468 . 12 1 1 A 115 115 LEU CB C 115 43.200 42.096 1.104 1
1 1472 . 12 1 1 A 115 115 LEU N N 115 119.800 120.178 -0.378 1
1 1473 . 12 1 1 A 116 116 THR H H 116 7.240 7.459 -0.219 1
1 1474 . 12 1 1 A 116 116 THR HA H 116 4.270 4.483 -0.213 1
1 1480 . 12 1 1 A 116 116 THR C C 116 173.200 174.506 -1.306 1
1 1481 . 12 1 1 A 116 116 THR CA C 116 60.700 62.040 -1.340 1
1 1482 . 12 1 1 A 116 116 THR CB C 116 70.800 69.305 1.495 1
1 1484 . 12 1 1 A 116 116 THR N N 116 104.900 106.394 -1.494 1
1 1485 . 12 1 1 A 117 117 ARG H H 117 6.840 7.392 -0.552 1
1 1486 . 12 1 1 A 117 117 ARG HA H 117 3.060 3.515 -0.455 1
1 1494 . 12 1 1 A 117 117 ARG C C 117 175.200 176.250 -1.050 1
1 1495 . 12 1 1 A 117 117 ARG CA C 117 55.900 56.131 -0.231 1
1 1496 . 12 1 1 A 117 117 ARG CB C 117 31.100 30.255 0.845 1
1 1500 . 12 1 1 A 117 117 ARG N N 117 120.900 123.426 -2.526 1
1 1502 . 12 1 1 A 118 118 LEU H H 118 8.380 8.266 0.114 1
1 1503 . 12 1 1 A 118 118 LEU HA H 118 4.100 4.426 -0.326 1
1 1513 . 12 1 1 A 118 118 LEU C C 118 176.500 176.639 -0.139 1
1 1514 . 12 1 1 A 118 118 LEU CA C 118 55.300 55.013 0.287 1
1 1515 . 12 1 1 A 118 118 LEU CB C 118 42.400 42.206 0.194 1
1 1519 . 12 1 1 A 118 118 LEU N N 118 122.600 125.084 -2.484 1
1 1520 . 12 1 1 A 119 119 GLU H H 119 8.330 8.563 -0.233 1
1 1521 . 12 1 1 A 119 119 GLU HA H 119 4.160 4.612 -0.452 1
1 1526 . 12 1 1 A 119 119 GLU C C 119 175.800 174.300 1.500 1
1 1527 . 12 1 1 A 119 119 GLU CA C 119 56.000 56.556 -0.556 1
1 1528 . 12 1 1 A 119 119 GLU CB C 119 30.300 31.302 -1.002 1
1 1530 . 12 1 1 A 119 119 GLU N N 119 124.000 123.123 0.877 1
1 1531 . 12 1 1 A 120 120 HIS H H 120 8.520 8.891 -0.371 1
1 1532 . 12 1 1 A 120 120 HIS HA H 120 4.620 4.913 -0.293 1
1 1535 . 12 1 1 A 120 120 HIS C C 120 174.000 173.896 0.104 1
1 1536 . 12 1 1 A 120 120 HIS CA C 120 55.300 54.592 0.708 1
1 1537 . 12 1 1 A 120 120 HIS CB C 120 29.300 33.374 -4.074 1
1 1538 . 12 1 1 A 120 120 HIS N N 120 120.100 124.776 -4.676 1
1 1539 . 12 1 1 A 121 121 HIS H H 121 8.580 8.640 -0.060 1
1 1540 . 12 1 1 A 121 121 HIS HA H 121 4.620 4.880 -0.260 1
1 1543 . 12 1 1 A 121 121 HIS C C 121 173.500 175.728 -2.228 1
1 1544 . 12 1 1 A 121 121 HIS CA C 121 55.300 54.435 0.865 1
1 1545 . 12 1 1 A 121 121 HIS CB C 121 29.200 33.350 -4.150 1
1 1546 . 12 1 1 A 121 121 HIS N N 121 120.800 120.049 0.751 1
1 1547 . 12 1 1 A 122 122 HIS H H 122 8.400 9.427 -1.027 1
1 1548 . 12 1 1 A 122 122 HIS HA H 122 4.620 4.074 0.546 1
1 1551 . 12 1 1 A 122 122 HIS CA C 122 55.300 59.467 -4.167 1
1 1552 . 12 1 1 A 122 122 HIS CB C 122 29.200 29.545 -0.345 1
1 1553 . 12 1 1 A 122 122 HIS N N 122 125.700 122.040 3.660 1
1 1554 . 12 1 1 A 123 123 HIS H H 123 8.690 8.094 0.596 1
1 1555 . 12 1 1 A 123 123 HIS HA H 123 4.640 4.111 0.529 1
1 1558 . 12 1 1 A 123 123 HIS C C 123 174.100 174.612 -0.512 1
1 1559 . 12 1 1 A 123 123 HIS CA C 123 55.300 59.614 -4.314 1
1 1560 . 12 1 1 A 123 123 HIS CB C 123 29.300 30.070 -0.770 1
1 1561 . 12 1 1 A 123 123 HIS N N 123 120.200 119.500 0.700 1
1 1562 . 12 1 1 A 124 124 HIS H H 124 8.710 7.960 0.750 1
1 1563 . 12 1 1 A 124 124 HIS HA H 124 4.640 5.235 -0.595 1
1 1566 . 12 1 1 A 124 124 HIS C C 124 174.200 174.850 -0.650 1
1 1567 . 12 1 1 A 124 124 HIS CA C 124 55.300 54.390 0.910 1
1 1568 . 12 1 1 A 124 124 HIS CB C 124 29.300 31.694 -2.394 1
1 14 . 13 1 1 A 2 2 ASN H H 2 8.500 8.939 -0.439 1
1 15 . 13 1 1 A 2 2 ASN HA H 2 4.990 5.069 -0.079 1
1 20 . 13 1 1 A 2 2 ASN C C 2 175.600 176.967 -1.367 1
1 21 . 13 1 1 A 2 2 ASN CA C 2 51.000 52.142 -1.142 1
1 22 . 13 1 1 A 2 2 ASN CB C 2 40.000 40.401 -0.401 1
1 24 . 13 1 1 A 2 2 ASN N N 2 122.000 122.626 -0.626 1
1 26 . 13 1 1 A 3 3 ARG H H 3 8.950 9.062 -0.112 1
1 27 . 13 1 1 A 3 3 ARG HA H 3 3.850 3.973 -0.123 1
1 35 . 13 1 1 A 3 3 ARG C C 3 175.600 177.624 -2.024 1
1 36 . 13 1 1 A 3 3 ARG CA C 3 60.400 59.728 0.672 1
1 37 . 13 1 1 A 3 3 ARG CB C 3 30.900 29.921 0.979 1
1 41 . 13 1 1 A 3 3 ARG N N 3 117.600 123.550 -5.950 1
1 43 . 13 1 1 A 4 4 GLN H H 4 8.370 8.051 0.319 1
1 44 . 13 1 1 A 4 4 GLN HA H 4 3.900 4.070 -0.170 1
1 51 . 13 1 1 A 4 4 GLN C C 4 178.300 178.306 -0.006 1
1 52 . 13 1 1 A 4 4 GLN CA C 4 58.900 59.306 -0.406 1
1 53 . 13 1 1 A 4 4 GLN CB C 4 28.200 28.456 -0.256 1
1 56 . 13 1 1 A 4 4 GLN N N 4 120.700 118.552 2.148 1
1 58 . 13 1 1 A 5 5 GLN H H 5 8.670 8.143 0.527 1
1 59 . 13 1 1 A 5 5 GLN HA H 5 4.190 4.108 0.082 1
1 66 . 13 1 1 A 5 5 GLN C C 5 180.000 178.584 1.416 1
1 67 . 13 1 1 A 5 5 GLN CA C 5 58.500 58.971 -0.471 1
1 68 . 13 1 1 A 5 5 GLN CB C 5 28.900 28.341 0.559 1
1 71 . 13 1 1 A 5 5 GLN N N 5 117.700 118.474 -0.774 1
1 73 . 13 1 1 A 6 6 PHE H H 6 8.270 8.372 -0.102 1
1 74 . 13 1 1 A 6 6 PHE HA H 6 4.130 4.187 -0.057 1
1 82 . 13 1 1 A 6 6 PHE C C 6 175.500 177.248 -1.748 1
1 83 . 13 1 1 A 6 6 PHE CA C 6 62.700 61.215 1.485 1
1 84 . 13 1 1 A 6 6 PHE CB C 6 39.000 39.285 -0.285 1
1 90 . 13 1 1 A 6 6 PHE N N 6 121.200 120.521 0.679 1
1 91 . 13 1 1 A 7 7 ILE H H 7 8.390 8.314 0.076 1
1 92 . 13 1 1 A 7 7 ILE HA H 7 3.280 3.371 -0.091 1
1 102 . 13 1 1 A 7 7 ILE C C 7 178.900 177.515 1.385 1
1 103 . 13 1 1 A 7 7 ILE CA C 7 66.400 65.334 1.066 1
1 104 . 13 1 1 A 7 7 ILE CB C 7 38.500 37.831 0.669 1
1 108 . 13 1 1 A 7 7 ILE N N 7 121.000 120.923 0.077 1
1 109 . 13 1 1 A 8 8 ASP H H 8 8.710 8.345 0.365 1
1 110 . 13 1 1 A 8 8 ASP HA H 8 4.370 4.533 -0.163 1
1 113 . 13 1 1 A 8 8 ASP C C 8 178.000 178.378 -0.378 1
1 114 . 13 1 1 A 8 8 ASP CA C 8 57.300 57.533 -0.233 1
1 115 . 13 1 1 A 8 8 ASP CB C 8 40.600 40.029 0.571 1
1 116 . 13 1 1 A 8 8 ASP N N 8 119.800 119.820 -0.020 1
1 117 . 13 1 1 A 9 9 TYR H H 9 8.060 8.425 -0.365 1
1 118 . 13 1 1 A 9 9 TYR HA H 9 4.000 4.064 -0.064 1
1 125 . 13 1 1 A 9 9 TYR C C 9 176.500 177.644 -1.144 1
1 126 . 13 1 1 A 9 9 TYR CA C 9 61.700 61.605 0.095 1
1 127 . 13 1 1 A 9 9 TYR CB C 9 38.600 38.396 0.204 1
1 132 . 13 1 1 A 9 9 TYR N N 9 121.600 122.594 -0.994 1
1 133 . 13 1 1 A 10 10 ALA H H 10 8.340 8.149 0.191 1
1 134 . 13 1 1 A 10 10 ALA HA H 10 3.730 3.846 -0.116 1
1 138 . 13 1 1 A 10 10 ALA C C 10 180.200 179.483 0.717 1
1 139 . 13 1 1 A 10 10 ALA CA C 10 55.200 55.178 0.022 1
1 140 . 13 1 1 A 10 10 ALA CB C 10 17.300 17.411 -0.111 1
1 141 . 13 1 1 A 10 10 ALA N N 10 120.700 121.213 -0.513 1
1 142 . 13 1 1 A 11 11 GLN H H 11 7.830 7.837 -0.007 1
1 143 . 13 1 1 A 11 11 GLN HA H 11 4.130 4.157 -0.027 1
1 150 . 13 1 1 A 11 11 GLN C C 11 178.300 177.990 0.310 1
1 151 . 13 1 1 A 11 11 GLN CA C 11 59.200 58.523 0.677 1
1 152 . 13 1 1 A 11 11 GLN CB C 11 28.600 28.275 0.325 1
1 155 . 13 1 1 A 11 11 GLN N N 11 116.600 116.424 0.176 1
1 157 . 13 1 1 A 12 12 LYS H H 12 8.040 7.526 0.514 1
1 158 . 13 1 1 A 12 12 LYS HA H 12 3.890 4.020 -0.130 1
1 167 . 13 1 1 A 12 12 LYS C C 12 178.200 178.362 -0.162 1
1 168 . 13 1 1 A 12 12 LYS CA C 12 58.800 59.593 -0.793 1
1 169 . 13 1 1 A 12 12 LYS CB C 12 32.700 31.937 0.763 1
1 173 . 13 1 1 A 12 12 LYS N N 12 119.300 119.384 -0.084 1
1 174 . 13 1 1 A 13 13 LYS H H 13 8.440 7.401 1.039 1
1 175 . 13 1 1 A 13 13 LYS HA H 13 3.610 3.718 -0.108 1
1 184 . 13 1 1 A 13 13 LYS C C 13 177.600 177.297 0.303 1
1 185 . 13 1 1 A 13 13 LYS CA C 13 56.900 58.085 -1.185 1
1 186 . 13 1 1 A 13 13 LYS CB C 13 32.000 32.251 -0.251 1
1 190 . 13 1 1 A 13 13 LYS N N 13 117.700 118.098 -0.398 1
1 191 . 13 1 1 A 14 14 TYR H H 14 6.780 8.167 -1.387 1
1 192 . 13 1 1 A 14 14 TYR HA H 14 4.530 4.256 0.274 1
1 199 . 13 1 1 A 14 14 TYR C C 14 175.800 174.484 1.316 1
1 200 . 13 1 1 A 14 14 TYR CA C 14 56.600 57.632 -1.032 1
1 201 . 13 1 1 A 14 14 TYR CB C 14 39.500 38.829 0.671 1
1 206 . 13 1 1 A 14 14 TYR N N 14 113.100 114.446 -1.346 1
1 207 . 13 1 1 A 15 15 ASP H H 15 7.620 8.209 -0.589 1
1 208 . 13 1 1 A 15 15 ASP HA H 15 4.810 4.587 0.223 1
1 211 . 13 1 1 A 15 15 ASP C C 15 175.200 175.012 0.188 1
1 212 . 13 1 1 A 15 15 ASP CA C 15 55.100 54.956 0.144 1
1 213 . 13 1 1 A 15 15 ASP CB C 15 39.300 38.547 0.753 1
1 214 . 13 1 1 A 15 15 ASP N N 15 119.600 118.142 1.458 1
1 215 . 13 1 1 A 16 16 THR H H 16 7.560 7.729 -0.169 1
1 216 . 13 1 1 A 16 16 THR HA H 16 4.650 4.778 -0.128 1
1 222 . 13 1 1 A 16 16 THR C C 16 173.200 174.315 -1.115 1
1 223 . 13 1 1 A 16 16 THR CA C 16 61.500 61.564 -0.064 1
1 224 . 13 1 1 A 16 16 THR CB C 16 71.000 71.401 -0.401 1
1 226 . 13 1 1 A 16 16 THR N N 16 113.100 114.527 -1.427 1
1 227 . 13 1 1 A 17 17 LYS H H 17 8.830 8.542 0.288 1
1 228 . 13 1 1 A 17 17 LYS HA H 17 4.690 4.907 -0.217 1
1 235 . 13 1 1 A 17 17 LYS C C 17 173.200 175.351 -2.151 1
1 236 . 13 1 1 A 17 17 LYS CA C 17 53.600 54.438 -0.838 1
1 237 . 13 1 1 A 17 17 LYS CB C 17 32.800 32.976 -0.176 1
1 241 . 13 1 1 A 17 17 LYS N N 17 127.200 125.397 1.803 1
1 242 . 13 1 1 A 18 18 PRO HA H 18 3.540 3.761 -0.221 1
1 249 . 13 1 1 A 18 18 PRO C C 18 175.800 175.513 0.287 1
1 250 . 13 1 1 A 18 18 PRO CA C 18 62.000 63.117 -1.117 1
1 251 . 13 1 1 A 18 18 PRO CB C 18 32.200 31.964 0.236 1
1 254 . 13 1 1 A 19 19 ASP H H 19 8.310 7.819 0.491 1
1 255 . 13 1 1 A 19 19 ASP HA H 19 4.740 5.306 -0.566 1
1 258 . 13 1 1 A 19 19 ASP C C 19 175.100 174.339 0.761 1
1 259 . 13 1 1 A 19 19 ASP CA C 19 52.300 52.655 -0.355 1
1 260 . 13 1 1 A 19 19 ASP CB C 19 43.700 44.295 -0.595 1
1 261 . 13 1 1 A 19 19 ASP N N 19 120.300 121.142 -0.842 1
1 262 . 13 1 1 A 20 20 HIS H H 20 8.620 8.867 -0.247 1
1 263 . 13 1 1 A 20 20 HIS HA H 20 5.170 5.021 0.149 1
1 266 . 13 1 1 A 20 20 HIS CA C 20 53.200 52.412 0.788 1
1 267 . 13 1 1 A 20 20 HIS CB C 20 28.800 29.649 -0.849 1
1 268 . 13 1 1 A 20 20 HIS N N 20 118.800 117.455 1.345 1
1 269 . 13 1 1 A 21 21 PRO HA H 21 4.190 4.457 -0.267 1
1 276 . 13 1 1 A 21 21 PRO C C 21 176.600 176.405 0.195 1
1 277 . 13 1 1 A 21 21 PRO CA C 21 63.900 63.656 0.244 1
1 278 . 13 1 1 A 21 21 PRO CB C 21 32.100 31.992 0.108 1
1 281 . 13 1 1 A 22 22 TRP H H 22 8.340 7.871 0.469 1
1 282 . 13 1 1 A 22 22 TRP HA H 22 5.000 4.786 0.214 1
1 291 . 13 1 1 A 22 22 TRP C C 22 174.200 177.538 -3.338 1
1 292 . 13 1 1 A 22 22 TRP CA C 22 57.100 56.812 0.288 1
1 293 . 13 1 1 A 22 22 TRP CB C 22 29.400 29.213 0.187 1
1 299 . 13 1 1 A 22 22 TRP N N 22 118.700 120.214 -1.514 1
1 301 . 13 1 1 A 23 23 GLU H H 23 9.030 8.863 0.167 1
1 302 . 13 1 1 A 23 23 GLU HA H 23 4.000 4.161 -0.161 1
1 307 . 13 1 1 A 23 23 GLU C C 23 177.900 177.731 0.169 1
1 308 . 13 1 1 A 23 23 GLU CA C 23 59.100 59.250 -0.150 1
1 309 . 13 1 1 A 23 23 GLU CB C 23 29.200 29.145 0.055 1
1 311 . 13 1 1 A 23 23 GLU N N 23 128.400 124.411 3.989 1
1 312 . 13 1 1 A 24 24 LYS H H 24 8.500 7.941 0.559 1
1 313 . 13 1 1 A 24 24 LYS HA H 24 3.890 3.988 -0.098 1
1 322 . 13 1 1 A 24 24 LYS C C 24 175.300 176.305 -1.005 1
1 323 . 13 1 1 A 24 24 LYS CA C 24 57.100 57.947 -0.847 1
1 324 . 13 1 1 A 24 24 LYS CB C 24 32.300 31.962 0.338 1
1 328 . 13 1 1 A 24 24 LYS N N 24 115.100 117.757 -2.657 1
1 329 . 13 1 1 A 25 25 PHE H H 25 7.010 7.760 -0.750 1
1 330 . 13 1 1 A 25 25 PHE HA H 25 4.740 5.061 -0.321 1
1 338 . 13 1 1 A 25 25 PHE C C 25 175.300 174.635 0.665 1
1 339 . 13 1 1 A 25 25 PHE CA C 25 54.300 54.921 -0.621 1
1 340 . 13 1 1 A 25 25 PHE CB C 25 39.200 38.712 0.488 1
1 346 . 13 1 1 A 25 25 PHE N N 25 115.100 117.446 -2.346 1
1 347 . 13 1 1 A 26 26 PRO HA H 26 4.380 4.830 -0.450 1
1 354 . 13 1 1 A 26 26 PRO C C 26 176.900 177.279 -0.379 1
1 355 . 13 1 1 A 26 26 PRO CA C 26 64.900 65.044 -0.144 1
1 356 . 13 1 1 A 26 26 PRO CB C 26 32.200 31.916 0.284 1
1 359 . 13 1 1 A 27 27 ASP H H 27 8.860 8.699 0.161 1
1 360 . 13 1 1 A 27 27 ASP HA H 27 4.810 4.717 0.093 1
1 363 . 13 1 1 A 27 27 ASP C C 27 177.200 176.518 0.682 1
1 364 . 13 1 1 A 27 27 ASP CA C 27 53.900 54.645 -0.745 1
1 365 . 13 1 1 A 27 27 ASP CB C 27 39.900 41.256 -1.356 1
1 366 . 13 1 1 A 27 27 ASP N N 27 114.400 117.741 -3.341 1
1 367 . 13 1 1 A 28 28 TYR H H 28 8.300 7.853 0.447 1
1 368 . 13 1 1 A 28 28 TYR HA H 28 5.500 4.735 0.765 1
1 375 . 13 1 1 A 28 28 TYR C C 28 175.900 176.162 -0.262 1
1 376 . 13 1 1 A 28 28 TYR CA C 28 55.600 58.482 -2.882 1
1 377 . 13 1 1 A 28 28 TYR CB C 28 36.400 40.054 -3.654 1
1 382 . 13 1 1 A 28 28 TYR N N 28 123.700 119.473 4.227 1
1 383 . 13 1 1 A 29 29 ALA H H 29 9.240 8.267 0.973 1
1 384 . 13 1 1 A 29 29 ALA HA H 29 5.030 5.127 -0.097 1
1 388 . 13 1 1 A 29 29 ALA C C 29 174.600 175.439 -0.839 1
1 389 . 13 1 1 A 29 29 ALA CA C 29 49.700 50.390 -0.690 1
1 390 . 13 1 1 A 29 29 ALA CB C 29 22.800 22.312 0.488 1
1 391 . 13 1 1 A 29 29 ALA N N 29 126.000 123.819 2.181 1
1 392 . 13 1 1 A 30 30 VAL H H 30 8.530 8.711 -0.181 1
1 393 . 13 1 1 A 30 30 VAL HA H 30 4.250 4.438 -0.188 1
1 401 . 13 1 1 A 30 30 VAL C C 30 173.400 174.284 -0.884 1
1 402 . 13 1 1 A 30 30 VAL CA C 30 60.300 60.993 -0.693 1
1 403 . 13 1 1 A 30 30 VAL CB C 30 34.100 33.931 0.169 1
1 406 . 13 1 1 A 30 30 VAL N N 30 119.700 121.826 -2.126 1
1 407 . 13 1 1 A 31 31 PHE H H 31 8.040 8.972 -0.932 1
1 408 . 13 1 1 A 31 31 PHE HA H 31 4.250 5.029 -0.779 1
1 416 . 13 1 1 A 31 31 PHE C C 31 173.200 174.586 -1.386 1
1 417 . 13 1 1 A 31 31 PHE CA C 31 56.700 56.185 0.515 1
1 418 . 13 1 1 A 31 31 PHE CB C 31 38.500 40.846 -2.346 1
1 424 . 13 1 1 A 31 31 PHE N N 31 124.100 125.793 -1.693 1
1 425 . 13 1 1 A 32 32 ARG H H 32 8.720 8.527 0.193 1
1 426 . 13 1 1 A 32 32 ARG HA H 32 5.320 4.472 0.848 1
1 434 . 13 1 1 A 32 32 ARG C C 32 176.400 175.502 0.898 1
1 435 . 13 1 1 A 32 32 ARG CA C 32 53.400 53.671 -0.271 1
1 436 . 13 1 1 A 32 32 ARG CB C 32 34.200 34.437 -0.237 1
1 440 . 13 1 1 A 32 32 ARG N N 32 122.300 122.406 -0.106 1
1 442 . 13 1 1 A 33 33 HIS H H 33 8.560 9.313 -0.753 1
1 443 . 13 1 1 A 33 33 HIS HA H 33 4.710 5.154 -0.444 1
1 446 . 13 1 1 A 33 33 HIS C C 33 176.400 176.499 -0.099 1
1 447 . 13 1 1 A 33 33 HIS CA C 33 56.500 56.633 -0.133 1
1 448 . 13 1 1 A 33 33 HIS CB C 33 28.900 30.903 -2.003 1
1 449 . 13 1 1 A 33 33 HIS N N 33 119.800 120.784 -0.984 1
1 450 . 13 1 1 A 34 34 SER H H 34 9.160 9.185 -0.025 1
1 451 . 13 1 1 A 34 34 SER HA H 34 4.390 4.281 0.109 1
1 454 . 13 1 1 A 34 34 SER C C 34 174.900 176.562 -1.662 1
1 455 . 13 1 1 A 34 34 SER CA C 34 60.400 60.567 -0.167 1
1 456 . 13 1 1 A 34 34 SER CB C 34 63.200 63.495 -0.295 1
1 457 . 13 1 1 A 34 34 SER N N 34 118.700 119.575 -0.875 1
1 458 . 13 1 1 A 35 35 ASP H H 35 8.660 8.354 0.306 1
1 459 . 13 1 1 A 35 35 ASP HA H 35 4.570 4.658 -0.088 1
1 462 . 13 1 1 A 35 35 ASP C C 35 177.000 177.292 -0.292 1
1 463 . 13 1 1 A 35 35 ASP CA C 35 54.300 55.822 -1.522 1
1 464 . 13 1 1 A 35 35 ASP CB C 35 39.700 41.587 -1.887 1
1 465 . 13 1 1 A 35 35 ASP N N 35 118.200 120.330 -2.130 1
1 466 . 13 1 1 A 36 36 ASN H H 36 7.900 7.800 0.100 1
1 467 . 13 1 1 A 36 36 ASN HA H 36 4.660 4.973 -0.313 1
1 472 . 13 1 1 A 36 36 ASN C C 36 175.100 174.979 0.121 1
1 473 . 13 1 1 A 36 36 ASN CA C 36 52.000 52.529 -0.529 1
1 474 . 13 1 1 A 36 36 ASN CB C 36 38.900 38.858 0.042 1
1 476 . 13 1 1 A 36 36 ASN N N 36 116.200 115.140 1.060 1
1 478 . 13 1 1 A 37 37 ASP H H 37 7.890 7.726 0.164 1
1 479 . 13 1 1 A 37 37 ASP HA H 37 4.670 4.657 0.013 1
1 482 . 13 1 1 A 37 37 ASP C C 37 175.800 176.150 -0.350 1
1 483 . 13 1 1 A 37 37 ASP CA C 37 55.800 54.540 1.260 1
1 484 . 13 1 1 A 37 37 ASP CB C 37 40.500 39.655 0.845 1
1 485 . 13 1 1 A 37 37 ASP N N 37 115.300 120.223 -4.923 1
1 486 . 13 1 1 A 38 38 LYS H H 38 8.310 8.924 -0.614 1
1 487 . 13 1 1 A 38 38 LYS HA H 38 4.390 4.689 -0.299 1
1 496 . 13 1 1 A 38 38 LYS C C 38 175.300 175.904 -0.604 1
1 497 . 13 1 1 A 38 38 LYS CA C 38 56.700 57.275 -0.575 1
1 498 . 13 1 1 A 38 38 LYS CB C 38 32.500 36.111 -3.611 1
1 502 . 13 1 1 A 38 38 LYS N N 38 119.300 127.198 -7.898 1
1 503 . 13 1 1 A 39 39 TRP HA H 39 5.000 5.087 -0.087 1
1 512 . 13 1 1 A 39 39 TRP C C 39 176.100 174.483 1.617 1
1 513 . 13 1 1 A 39 39 TRP CA C 39 55.700 55.287 0.413 1
1 514 . 13 1 1 A 39 39 TRP CB C 39 30.300 32.390 -2.090 1
1 521 . 13 1 1 A 40 40 TYR H H 40 9.270 8.818 0.452 1
1 522 . 13 1 1 A 40 40 TYR HA H 40 5.280 4.648 0.632 1
1 525 . 13 1 1 A 40 40 TYR C C 40 175.400 173.185 2.215 1
1 526 . 13 1 1 A 40 40 TYR CA C 40 55.700 56.212 -0.512 1
1 527 . 13 1 1 A 40 40 TYR CB C 40 40.300 41.675 -1.375 1
1 528 . 13 1 1 A 40 40 TYR N N 40 114.000 121.281 -7.281 1
1 529 . 13 1 1 A 41 41 ALA H H 41 7.760 7.524 0.236 1
1 530 . 13 1 1 A 41 41 ALA HA H 41 5.580 4.527 1.053 1
1 534 . 13 1 1 A 41 41 ALA C C 41 177.300 175.165 2.135 1
1 535 . 13 1 1 A 41 41 ALA CA C 41 52.900 50.893 2.007 1
1 536 . 13 1 1 A 41 41 ALA CB C 41 21.900 23.138 -1.238 1
1 537 . 13 1 1 A 41 41 ALA N N 41 121.500 129.160 -7.660 1
1 538 . 13 1 1 A 42 42 LEU H H 42 8.300 8.343 -0.043 1
1 539 . 13 1 1 A 42 42 LEU HA H 42 5.200 5.139 0.061 1
1 549 . 13 1 1 A 42 42 LEU C C 42 173.300 174.421 -1.121 1
1 550 . 13 1 1 A 42 42 LEU CA C 42 54.100 53.390 0.710 1
1 551 . 13 1 1 A 42 42 LEU CB C 42 45.900 45.759 0.141 1
1 555 . 13 1 1 A 42 42 LEU N N 42 123.700 116.844 6.856 1
1 556 . 13 1 1 A 43 43 LEU H H 43 9.700 9.089 0.611 1
1 557 . 13 1 1 A 43 43 LEU HA H 43 5.250 5.402 -0.152 1
1 567 . 13 1 1 A 43 43 LEU C C 43 173.300 175.086 -1.786 1
1 568 . 13 1 1 A 43 43 LEU CA C 43 54.000 53.175 0.825 1
1 569 . 13 1 1 A 43 43 LEU CB C 43 46.000 45.328 0.672 1
1 573 . 13 1 1 A 43 43 LEU N N 43 130.400 122.068 8.332 1
1 574 . 13 1 1 A 44 44 MET H H 44 8.800 8.370 0.430 1
1 575 . 13 1 1 A 44 44 MET HA H 44 4.420 4.895 -0.475 1
1 583 . 13 1 1 A 44 44 MET C C 44 172.500 173.229 -0.729 1
1 584 . 13 1 1 A 44 44 MET CA C 44 55.000 53.467 1.533 1
1 585 . 13 1 1 A 44 44 MET CB C 44 39.100 35.036 4.064 1
1 588 . 13 1 1 A 44 44 MET N N 44 122.800 122.980 -0.180 1
1 589 . 13 1 1 A 45 45 ASP H H 45 7.960 8.608 -0.648 1
1 590 . 13 1 1 A 45 45 ASP HA H 45 5.490 5.105 0.385 1
1 593 . 13 1 1 A 45 45 ASP C C 45 175.200 175.295 -0.095 1
1 594 . 13 1 1 A 45 45 ASP CA C 45 51.900 53.003 -1.103 1
1 595 . 13 1 1 A 45 45 ASP CB C 45 40.800 42.202 -1.402 1
1 596 . 13 1 1 A 45 45 ASP N N 45 119.400 122.101 -2.701 1
1 597 . 13 1 1 A 46 46 ILE H H 46 8.800 8.292 0.508 1
1 598 . 13 1 1 A 46 46 ILE HA H 46 4.870 4.805 0.065 1
1 608 . 13 1 1 A 46 46 ILE CA C 46 57.700 57.042 0.658 1
1 609 . 13 1 1 A 46 46 ILE CB C 46 40.100 39.535 0.565 1
1 613 . 13 1 1 A 46 46 ILE N N 46 117.400 121.340 -3.940 1
1 614 . 13 1 1 A 47 47 PRO HA H 47 4.420 4.465 -0.045 1
1 621 . 13 1 1 A 47 47 PRO C C 47 177.800 177.137 0.663 1
1 622 . 13 1 1 A 47 47 PRO CA C 47 63.000 62.768 0.232 1
1 623 . 13 1 1 A 47 47 PRO CB C 47 31.900 32.752 -0.852 1
1 626 . 13 1 1 A 48 48 ALA H H 48 8.550 8.380 0.170 1
1 627 . 13 1 1 A 48 48 ALA HA H 48 3.550 3.906 -0.356 1
1 631 . 13 1 1 A 48 48 ALA C C 48 179.200 179.335 -0.135 1
1 632 . 13 1 1 A 48 48 ALA CA C 48 55.200 54.544 0.656 1
1 633 . 13 1 1 A 48 48 ALA CB C 48 17.700 18.348 -0.648 1
1 634 . 13 1 1 A 48 48 ALA N N 48 130.100 126.960 3.140 1
1 635 . 13 1 1 A 49 49 GLU H H 49 8.700 8.015 0.685 1
1 636 . 13 1 1 A 49 49 GLU HA H 49 4.180 4.113 0.067 1
1 641 . 13 1 1 A 49 49 GLU C C 49 179.800 178.000 1.800 1
1 642 . 13 1 1 A 49 49 GLU CA C 49 58.200 58.443 -0.243 1
1 643 . 13 1 1 A 49 49 GLU CB C 49 28.200 29.251 -1.051 1
1 645 . 13 1 1 A 49 49 GLU N N 49 114.900 118.032 -3.132 1
1 646 . 13 1 1 A 50 50 LYS H H 50 7.910 7.633 0.277 1
1 647 . 13 1 1 A 50 50 LYS HA H 50 4.060 4.242 -0.182 1
1 656 . 13 1 1 A 50 50 LYS C C 50 178.100 177.832 0.268 1
1 657 . 13 1 1 A 50 50 LYS CA C 50 56.900 57.445 -0.545 1
1 658 . 13 1 1 A 50 50 LYS CB C 50 31.700 32.291 -0.591 1
1 662 . 13 1 1 A 50 50 LYS N N 50 118.100 117.955 0.145 1
1 663 . 13 1 1 A 51 51 ILE H H 51 7.190 7.177 0.013 1
1 664 . 13 1 1 A 51 51 ILE HA H 51 4.490 4.329 0.161 1
1 674 . 13 1 1 A 51 51 ILE C C 51 175.300 176.657 -1.357 1
1 675 . 13 1 1 A 51 51 ILE CA C 51 60.100 60.137 -0.037 1
1 676 . 13 1 1 A 51 51 ILE CB C 51 37.400 37.562 -0.162 1
1 680 . 13 1 1 A 51 51 ILE N N 51 109.000 112.635 -3.635 1
1 681 . 13 1 1 A 52 52 GLY H H 52 7.370 8.118 -0.748 1
1 682 . 13 1 1 A 52 52 GLY HA2 H 52 4.050 3.987 0.063 1
1 683 . 13 1 1 A 52 52 GLY HA3 H 52 3.730 4.034 -0.304 1
1 684 . 13 1 1 A 52 52 GLY C C 52 174.200 174.047 0.153 1
1 685 . 13 1 1 A 52 52 GLY CA C 52 46.100 45.313 0.787 1
1 686 . 13 1 1 A 52 52 GLY N N 52 106.900 110.842 -3.942 1
1 687 . 13 1 1 A 53 53 ILE H H 53 7.260 7.276 -0.016 1
1 688 . 13 1 1 A 53 53 ILE HA H 53 4.040 4.063 -0.023 1
1 698 . 13 1 1 A 53 53 ILE C C 53 174.700 175.204 -0.504 1
1 699 . 13 1 1 A 53 53 ILE CA C 53 60.500 60.500 0.000 1
1 700 . 13 1 1 A 53 53 ILE CB C 53 38.700 37.303 1.397 1
1 704 . 13 1 1 A 53 53 ILE N N 53 121.900 123.541 -1.641 1
1 705 . 13 1 1 A 54 54 ASN H H 54 8.280 8.992 -0.712 1
1 706 . 13 1 1 A 54 54 ASN HA H 54 4.540 4.920 -0.380 1
1 711 . 13 1 1 A 54 54 ASN C C 54 175.400 176.238 -0.838 1
1 712 . 13 1 1 A 54 54 ASN CA C 54 53.700 53.098 0.602 1
1 713 . 13 1 1 A 54 54 ASN CB C 54 39.000 37.593 1.407 1
1 715 . 13 1 1 A 54 54 ASN N N 54 123.300 126.726 -3.426 1
1 717 . 13 1 1 A 55 55 GLY H H 55 8.240 8.614 -0.374 1
1 718 . 13 1 1 A 55 55 GLY HA2 H 55 4.230 4.082 0.148 1
1 719 . 13 1 1 A 55 55 GLY HA3 H 55 3.740 4.090 -0.350 1
1 720 . 13 1 1 A 55 55 GLY C C 55 173.200 174.588 -1.388 1
1 721 . 13 1 1 A 55 55 GLY CA C 55 44.800 45.490 -0.690 1
1 722 . 13 1 1 A 55 55 GLY N N 55 110.200 112.586 -2.386 1
1 723 . 13 1 1 A 56 56 ASP H H 56 8.320 7.992 0.328 1
1 724 . 13 1 1 A 56 56 ASP HA H 56 4.700 4.213 0.487 1
1 727 . 13 1 1 A 56 56 ASP C C 56 175.800 174.248 1.552 1
1 728 . 13 1 1 A 56 56 ASP CA C 56 53.400 55.744 -2.344 1
1 729 . 13 1 1 A 56 56 ASP CB C 56 40.500 39.478 1.022 1
1 730 . 13 1 1 A 56 56 ASP N N 56 119.000 116.914 2.086 1
1 731 . 13 1 1 A 57 57 LYS H H 57 7.780 7.742 0.038 1
1 732 . 13 1 1 A 57 57 LYS HA H 57 4.400 4.873 -0.473 1
1 741 . 13 1 1 A 57 57 LYS C C 57 175.700 175.852 -0.152 1
1 742 . 13 1 1 A 57 57 LYS CA C 57 55.600 54.903 0.697 1
1 743 . 13 1 1 A 57 57 LYS CB C 57 33.700 34.855 -1.155 1
1 747 . 13 1 1 A 57 57 LYS N N 57 119.500 115.206 4.294 1
1 748 . 13 1 1 A 58 58 ARG H H 58 8.410 8.467 -0.057 1
1 749 . 13 1 1 A 58 58 ARG HA H 58 4.740 4.625 0.115 1
1 757 . 13 1 1 A 58 58 ARG C C 58 176.200 176.217 -0.017 1
1 758 . 13 1 1 A 58 58 ARG CA C 58 55.300 55.885 -0.585 1
1 759 . 13 1 1 A 58 58 ARG CB C 58 31.700 31.147 0.553 1
1 763 . 13 1 1 A 58 58 ARG N N 58 120.900 121.442 -0.542 1
1 765 . 13 1 1 A 59 59 VAL H H 59 9.030 8.497 0.533 1
1 766 . 13 1 1 A 59 59 VAL HA H 59 4.570 4.849 -0.279 1
1 774 . 13 1 1 A 59 59 VAL C C 59 173.900 173.703 0.197 1
1 775 . 13 1 1 A 59 59 VAL CA C 59 58.700 58.490 0.210 1
1 776 . 13 1 1 A 59 59 VAL CB C 59 34.700 35.632 -0.932 1
1 779 . 13 1 1 A 59 59 VAL N N 59 115.600 118.460 -2.860 1
1 780 . 13 1 1 A 60 60 ASP H H 60 8.290 8.559 -0.269 1
1 781 . 13 1 1 A 60 60 ASP HA H 60 5.560 5.296 0.264 1
1 784 . 13 1 1 A 60 60 ASP C C 60 175.800 175.534 0.266 1
1 785 . 13 1 1 A 60 60 ASP CA C 60 53.600 53.056 0.544 1
1 786 . 13 1 1 A 60 60 ASP CB C 60 43.100 42.593 0.507 1
1 787 . 13 1 1 A 60 60 ASP N N 60 120.700 121.437 -0.737 1
1 788 . 13 1 1 A 61 61 VAL H H 61 9.080 8.530 0.550 1
1 789 . 13 1 1 A 61 61 VAL HA H 61 5.150 5.227 -0.077 1
1 797 . 13 1 1 A 61 61 VAL C C 61 173.800 174.263 -0.463 1
1 798 . 13 1 1 A 61 61 VAL CA C 61 57.600 59.066 -1.466 1
1 799 . 13 1 1 A 61 61 VAL CB C 61 35.500 35.720 -0.220 1
1 802 . 13 1 1 A 61 61 VAL N N 61 115.200 117.092 -1.892 1
1 803 . 13 1 1 A 62 62 ILE H H 62 8.530 8.337 0.193 1
1 804 . 13 1 1 A 62 62 ILE HA H 62 5.550 5.037 0.513 1
1 814 . 13 1 1 A 62 62 ILE CA C 62 57.800 58.714 -0.914 1
1 815 . 13 1 1 A 62 62 ILE CB C 62 41.700 41.712 -0.012 1
1 819 . 13 1 1 A 62 62 ILE N N 62 112.000 118.920 -6.920 1
1 820 . 13 1 1 A 64 64 LEU HA H 64 4.960 5.048 -0.088 1
1 830 . 13 1 1 A 64 64 LEU C C 64 173.100 174.411 -1.311 1
1 831 . 13 1 1 A 64 64 LEU CA C 64 53.500 54.072 -0.572 1
1 832 . 13 1 1 A 64 64 LEU CB C 64 47.000 45.924 1.076 1
1 836 . 13 1 1 A 65 65 LYS H H 65 8.470 9.024 -0.554 1
1 837 . 13 1 1 A 65 65 LYS HA H 65 3.760 5.248 -1.488 1
1 846 . 13 1 1 A 65 65 LYS C C 65 175.100 176.459 -1.359 1
1 847 . 13 1 1 A 65 65 LYS CA C 65 55.700 56.465 -0.765 1
1 848 . 13 1 1 A 65 65 LYS CB C 65 33.600 33.597 0.003 1
1 852 . 13 1 1 A 65 65 LYS N N 65 126.700 128.796 -2.096 1
1 853 . 13 1 1 A 66 66 VAL H H 66 7.840 8.697 -0.857 1
1 854 . 13 1 1 A 66 66 VAL HA H 66 4.410 4.961 -0.551 1
1 862 . 13 1 1 A 66 66 VAL C C 66 175.300 174.875 0.425 1
1 863 . 13 1 1 A 66 66 VAL CA C 66 58.300 58.786 -0.486 1
1 864 . 13 1 1 A 66 66 VAL CB C 66 36.400 35.901 0.499 1
1 867 . 13 1 1 A 66 66 VAL N N 66 116.000 119.250 -3.250 1
1 868 . 13 1 1 A 67 67 GLN H H 67 8.620 8.668 -0.048 1
1 869 . 13 1 1 A 67 67 GLN HA H 67 4.350 4.595 -0.245 1
1 876 . 13 1 1 A 67 67 GLN CA C 67 54.900 54.088 0.812 1
1 877 . 13 1 1 A 67 67 GLN CB C 67 27.600 28.297 -0.697 1
1 880 . 13 1 1 A 67 67 GLN N N 67 123.000 121.006 1.994 1
1 882 . 13 1 1 A 68 68 PRO HA H 68 4.200 4.248 -0.048 1
1 889 . 13 1 1 A 68 68 PRO C C 68 179.400 177.962 1.438 1
1 890 . 13 1 1 A 68 68 PRO CA C 68 65.100 65.543 -0.443 1
1 891 . 13 1 1 A 68 68 PRO CB C 68 31.700 31.855 -0.155 1
1 894 . 13 1 1 A 69 69 GLU H H 69 9.620 8.392 1.228 1
1 895 . 13 1 1 A 69 69 GLU HA H 69 4.190 4.190 0.000 1
1 900 . 13 1 1 A 69 69 GLU C C 69 177.100 177.593 -0.493 1
1 901 . 13 1 1 A 69 69 GLU CA C 69 58.600 57.776 0.824 1
1 902 . 13 1 1 A 69 69 GLU CB C 69 28.100 29.771 -1.671 1
1 904 . 13 1 1 A 69 69 GLU N N 69 116.900 116.245 0.655 1
1 905 . 13 1 1 A 70 70 LEU H H 70 7.940 7.696 0.244 1
1 906 . 13 1 1 A 70 70 LEU HA H 70 4.460 4.393 0.067 1
1 916 . 13 1 1 A 70 70 LEU C C 70 177.600 178.010 -0.410 1
1 917 . 13 1 1 A 70 70 LEU CA C 70 54.500 55.007 -0.507 1
1 918 . 13 1 1 A 70 70 LEU CB C 70 42.800 42.400 0.400 1
1 922 . 13 1 1 A 70 70 LEU N N 70 118.700 118.053 0.647 1
1 923 . 13 1 1 A 71 71 VAL H H 71 7.080 7.886 -0.806 1
1 924 . 13 1 1 A 71 71 VAL HA H 71 3.210 3.746 -0.536 1
1 932 . 13 1 1 A 71 71 VAL C C 71 176.800 177.824 -1.024 1
1 933 . 13 1 1 A 71 71 VAL CA C 71 67.700 65.984 1.716 1
1 934 . 13 1 1 A 71 71 VAL CB C 71 32.000 31.317 0.683 1
1 937 . 13 1 1 A 71 71 VAL N N 71 120.300 119.972 0.328 1
1 938 . 13 1 1 A 72 72 GLY H H 72 8.540 8.239 0.301 1
1 939 . 13 1 1 A 72 72 GLY HA2 H 72 3.770 3.801 -0.031 1
1 940 . 13 1 1 A 72 72 GLY HA3 H 72 3.630 3.802 -0.172 1
1 941 . 13 1 1 A 72 72 GLY C C 72 176.300 176.139 0.161 1
1 942 . 13 1 1 A 72 72 GLY CA C 72 47.000 47.544 -0.544 1
1 943 . 13 1 1 A 72 72 GLY N N 72 105.300 109.132 -3.832 1
1 944 . 13 1 1 A 73 73 SER H H 73 7.870 8.205 -0.335 1
1 945 . 13 1 1 A 73 73 SER HA H 73 4.170 4.218 -0.048 1
1 948 . 13 1 1 A 73 73 SER C C 73 178.000 177.188 0.812 1
1 949 . 13 1 1 A 73 73 SER CA C 73 60.600 61.267 -0.667 1
1 950 . 13 1 1 A 73 73 SER CB C 73 62.700 62.857 -0.157 1
1 951 . 13 1 1 A 73 73 SER N N 73 115.700 116.840 -1.140 1
1 952 . 13 1 1 A 74 74 LEU H H 74 8.340 7.882 0.458 1
1 953 . 13 1 1 A 74 74 LEU HA H 74 4.000 4.165 -0.165 1
1 963 . 13 1 1 A 74 74 LEU C C 74 178.400 178.412 -0.012 1
1 964 . 13 1 1 A 74 74 LEU CA C 74 57.900 57.537 0.363 1
1 965 . 13 1 1 A 74 74 LEU CB C 74 41.700 41.689 0.011 1
1 969 . 13 1 1 A 74 74 LEU N N 74 124.600 122.493 2.107 1
1 970 . 13 1 1 A 75 75 ARG H H 75 7.850 8.753 -0.903 1
1 971 . 13 1 1 A 75 75 ARG HA H 75 3.750 3.939 -0.189 1
1 979 . 13 1 1 A 75 75 ARG C C 75 176.500 178.954 -2.454 1
1 980 . 13 1 1 A 75 75 ARG CA C 75 57.800 59.075 -1.275 1
1 981 . 13 1 1 A 75 75 ARG CB C 75 29.500 29.817 -0.317 1
1 985 . 13 1 1 A 75 75 ARG N N 75 113.300 118.842 -5.542 1
1 987 . 13 1 1 A 76 76 LYS H H 76 7.100 8.984 -1.884 1
1 988 . 13 1 1 A 76 76 LYS HA H 76 4.210 4.190 0.020 1
1 997 . 13 1 1 A 76 76 LYS C C 76 177.000 176.778 0.222 1
1 998 . 13 1 1 A 76 76 LYS CA C 76 56.500 58.251 -1.751 1
1 999 . 13 1 1 A 76 76 LYS CB C 76 32.700 31.748 0.952 1
1 1003 . 13 1 1 A 76 76 LYS N N 76 116.600 116.886 -0.286 1
1 1004 . 13 1 1 A 77 77 LYS H H 77 7.830 7.136 0.694 1
1 1005 . 13 1 1 A 77 77 LYS HA H 77 4.470 4.499 -0.029 1
1 1014 . 13 1 1 A 77 77 LYS CA C 77 54.500 54.024 0.476 1
1 1015 . 13 1 1 A 77 77 LYS CB C 77 31.800 31.815 -0.015 1
1 1019 . 13 1 1 A 77 77 LYS N N 77 122.900 121.510 1.390 1
1 1020 . 13 1 1 A 78 78 PRO HA H 78 4.190 4.223 -0.033 1
1 1027 . 13 1 1 A 78 78 PRO C C 78 176.600 177.132 -0.532 1
1 1028 . 13 1 1 A 78 78 PRO CA C 78 63.700 63.565 0.135 1
1 1029 . 13 1 1 A 78 78 PRO CB C 78 31.900 32.014 -0.114 1
1 1032 . 13 1 1 A 79 79 GLY H H 79 8.290 8.800 -0.510 1
1 1033 . 13 1 1 A 79 79 GLY HA2 H 79 4.350 4.000 0.350 1
1 1034 . 13 1 1 A 79 79 GLY HA3 H 79 3.590 4.082 -0.492 1
1 1035 . 13 1 1 A 79 79 GLY C C 79 172.000 173.679 -1.679 1
1 1036 . 13 1 1 A 79 79 GLY CA C 79 45.500 45.552 -0.052 1
1 1037 . 13 1 1 A 79 79 GLY N N 79 109.300 110.844 -1.544 1
1 1038 . 13 1 1 A 80 80 ILE H H 80 7.300 7.784 -0.484 1
1 1039 . 13 1 1 A 80 80 ILE HA H 80 4.770 4.399 0.371 1
1 1049 . 13 1 1 A 80 80 ILE C C 80 174.200 174.673 -0.473 1
1 1050 . 13 1 1 A 80 80 ILE CA C 80 60.500 60.461 0.039 1
1 1051 . 13 1 1 A 80 80 ILE CB C 80 37.000 39.465 -2.465 1
1 1055 . 13 1 1 A 80 80 ILE N N 80 119.200 123.126 -3.926 1
1 1056 . 13 1 1 A 81 81 TYR H H 81 9.490 8.668 0.822 1
1 1057 . 13 1 1 A 81 81 TYR HA H 81 4.840 4.922 -0.082 1
1 1064 . 13 1 1 A 81 81 TYR CA C 81 56.800 55.884 0.916 1
1 1065 . 13 1 1 A 81 81 TYR CB C 81 39.800 40.928 -1.128 1
1 1070 . 13 1 1 A 81 81 TYR N N 81 126.100 126.609 -0.509 1
1 1071 . 13 1 1 A 82 82 PRO HA H 82 4.610 4.576 0.034 1
1 1078 . 13 1 1 A 82 82 PRO CA C 82 62.300 62.971 -0.671 1
1 1079 . 13 1 1 A 82 82 PRO CB C 82 32.000 32.100 -0.100 1
1 1082 . 13 1 1 A 83 83 ALA HA H 83 4.140 4.409 -0.269 1
1 1086 . 13 1 1 A 84 84 TYR HA H 84 4.470 4.655 -0.185 1
1 1093 . 13 1 1 A 84 84 TYR CA C 84 57.500 59.101 -1.601 1
1 1094 . 13 1 1 A 84 84 TYR CB C 84 39.500 39.210 0.290 1
1 1099 . 13 1 1 A 87 87 ASN HA H 87 4.410 4.172 0.238 1
1 1104 . 13 1 1 A 87 87 ASN C C 87 176.500 175.151 1.349 1
1 1105 . 13 1 1 A 87 87 ASN CA C 87 55.100 53.951 1.149 1
1 1106 . 13 1 1 A 87 87 ASN CB C 87 40.600 36.040 4.560 1
1 1109 . 13 1 1 A 88 88 LYS H H 88 8.710 7.897 0.813 1
1 1110 . 13 1 1 A 88 88 LYS HA H 88 4.320 3.856 0.464 1
1 1119 . 13 1 1 A 88 88 LYS C C 88 177.600 179.135 -1.535 1
1 1120 . 13 1 1 A 88 88 LYS CA C 88 58.100 59.642 -1.542 1
1 1121 . 13 1 1 A 88 88 LYS CB C 88 33.000 32.338 0.662 1
1 1125 . 13 1 1 A 88 88 LYS N N 88 123.800 118.862 4.938 1
1 1126 . 13 1 1 A 89 89 GLU H H 89 8.390 7.944 0.446 1
1 1127 . 13 1 1 A 89 89 GLU HA H 89 4.270 3.980 0.290 1
1 1132 . 13 1 1 A 89 89 GLU C C 89 176.500 179.630 -3.130 1
1 1133 . 13 1 1 A 89 89 GLU CA C 89 57.800 59.050 -1.250 1
1 1134 . 13 1 1 A 89 89 GLU CB C 89 30.100 29.082 1.018 1
1 1136 . 13 1 1 A 89 89 GLU N N 89 117.000 118.713 -1.713 1
1 1137 . 13 1 1 A 90 90 HIS H H 90 7.600 7.812 -0.212 1
1 1138 . 13 1 1 A 90 90 HIS HA H 90 4.580 4.298 0.282 1
1 1142 . 13 1 1 A 90 90 HIS C C 90 170.800 175.037 -4.237 1
1 1143 . 13 1 1 A 90 90 HIS CA C 90 55.500 58.853 -3.353 1
1 1144 . 13 1 1 A 90 90 HIS CB C 90 32.200 29.937 2.263 1
1 1145 . 13 1 1 A 90 90 HIS N N 90 111.500 117.008 -5.508 1
1 1146 . 13 1 1 A 91 91 TRP H H 91 7.650 7.964 -0.314 1
1 1147 . 13 1 1 A 91 91 TRP HA H 91 5.610 5.565 0.045 1
1 1156 . 13 1 1 A 91 91 TRP C C 91 174.600 175.515 -0.915 1
1 1157 . 13 1 1 A 91 91 TRP CA C 91 55.500 56.204 -0.704 1
1 1158 . 13 1 1 A 91 91 TRP CB C 91 31.700 32.616 -0.916 1
1 1163 . 13 1 1 A 91 91 TRP N N 91 117.400 116.312 1.088 1
1 1165 . 13 1 1 A 92 92 ILE H H 92 9.100 8.987 0.113 1
1 1166 . 13 1 1 A 92 92 ILE HA H 92 4.630 4.874 -0.244 1
1 1176 . 13 1 1 A 92 92 ILE C C 92 174.500 175.136 -0.636 1
1 1177 . 13 1 1 A 92 92 ILE CA C 92 59.800 59.902 -0.102 1
1 1178 . 13 1 1 A 92 92 ILE CB C 92 42.500 42.296 0.204 1
1 1182 . 13 1 1 A 92 92 ILE N N 92 111.700 121.263 -9.563 1
1 1183 . 13 1 1 A 93 93 THR H H 93 8.570 8.410 0.160 1
1 1184 . 13 1 1 A 93 93 THR HA H 93 4.250 5.125 -0.875 1
1 1190 . 13 1 1 A 93 93 THR CA C 93 61.800 60.559 1.241 1
1 1191 . 13 1 1 A 93 93 THR CB C 93 70.200 70.341 -0.141 1
1 1193 . 13 1 1 A 93 93 THR N N 93 117.600 118.467 -0.867 1
1 1194 . 13 1 1 A 94 94 VAL HA H 94 4.680 4.771 -0.091 1
1 1202 . 13 1 1 A 94 94 VAL C C 94 175.400 174.944 0.456 1
1 1203 . 13 1 1 A 94 94 VAL CA C 94 60.700 60.719 -0.019 1
1 1204 . 13 1 1 A 94 94 VAL CB C 94 34.100 34.528 -0.428 1
1 1207 . 13 1 1 A 95 95 LEU H H 95 8.080 8.510 -0.430 1
1 1208 . 13 1 1 A 95 95 LEU HA H 95 4.330 4.500 -0.170 1
1 1218 . 13 1 1 A 95 95 LEU C C 95 176.400 176.082 0.318 1
1 1219 . 13 1 1 A 95 95 LEU CA C 95 55.000 54.387 0.613 1
1 1220 . 13 1 1 A 95 95 LEU CB C 95 44.300 41.813 2.487 1
1 1224 . 13 1 1 A 95 95 LEU N N 95 127.500 127.561 -0.061 1
1 1225 . 13 1 1 A 96 96 LEU H H 96 8.050 8.138 -0.088 1
1 1226 . 13 1 1 A 96 96 LEU HA H 96 4.150 3.969 0.181 1
1 1236 . 13 1 1 A 96 96 LEU C C 96 177.400 178.259 -0.859 1
1 1237 . 13 1 1 A 96 96 LEU CA C 96 56.500 58.103 -1.603 1
1 1238 . 13 1 1 A 96 96 LEU CB C 96 40.500 41.433 -0.933 1
1 1242 . 13 1 1 A 96 96 LEU N N 96 128.100 127.057 1.043 1
1 1243 . 13 1 1 A 97 97 ASN H H 97 8.690 8.038 0.652 1
1 1244 . 13 1 1 A 97 97 ASN HA H 97 4.740 4.631 0.109 1
1 1249 . 13 1 1 A 97 97 ASN C C 97 174.900 176.444 -1.544 1
1 1250 . 13 1 1 A 97 97 ASN CA C 97 53.000 55.169 -2.169 1
1 1251 . 13 1 1 A 97 97 ASN CB C 97 37.700 38.538 -0.838 1
1 1252 . 13 1 1 A 97 97 ASN N N 97 117.200 116.352 0.848 1
1 1254 . 13 1 1 A 98 98 GLY H H 98 7.820 7.866 -0.046 1
1 1255 . 13 1 1 A 98 98 GLY HA2 H 98 4.470 4.088 0.382 1
1 1256 . 13 1 1 A 98 98 GLY HA3 H 98 3.740 4.098 -0.358 1
1 1257 . 13 1 1 A 98 98 GLY C C 98 174.900 174.695 0.205 1
1 1258 . 13 1 1 A 98 98 GLY CA C 98 44.900 44.271 0.629 1
1 1259 . 13 1 1 A 98 98 GLY N N 98 108.600 108.023 0.577 1
1 1260 . 13 1 1 A 99 99 PRO HA H 99 4.380 4.611 -0.231 1
1 1267 . 13 1 1 A 99 99 PRO C C 99 177.400 176.312 1.088 1
1 1268 . 13 1 1 A 99 99 PRO CA C 99 63.900 63.474 0.426 1
1 1269 . 13 1 1 A 99 99 PRO CB C 99 32.400 32.161 0.239 1
1 1272 . 13 1 1 A 100 100 LEU H H 100 7.750 7.461 0.289 1
1 1273 . 13 1 1 A 100 100 LEU HA H 100 4.280 4.193 0.087 1
1 1283 . 13 1 1 A 100 100 LEU C C 100 177.400 176.994 0.406 1
1 1284 . 13 1 1 A 100 100 LEU CA C 100 55.800 55.069 0.731 1
1 1285 . 13 1 1 A 100 100 LEU CB C 100 42.600 42.124 0.476 1
1 1289 . 13 1 1 A 100 100 LEU N N 100 120.300 119.456 0.844 1
1 1290 . 13 1 1 A 101 101 GLY H H 101 8.620 8.472 0.148 1
1 1291 . 13 1 1 A 101 101 GLY HA2 H 101 4.110 4.127 -0.017 1
1 1292 . 13 1 1 A 101 101 GLY HA3 H 101 3.890 4.134 -0.244 1
1 1293 . 13 1 1 A 101 101 GLY C C 101 173.600 174.740 -1.140 1
1 1294 . 13 1 1 A 101 101 GLY CA C 101 44.300 44.422 -0.122 1
1 1295 . 13 1 1 A 101 101 GLY N N 101 110.600 111.224 -0.624 1
1 1296 . 13 1 1 A 102 102 ALA H H 102 8.310 8.962 -0.652 1
1 1297 . 13 1 1 A 102 102 ALA HA H 102 3.520 3.753 -0.233 1
1 1301 . 13 1 1 A 102 102 ALA C C 102 178.900 179.740 -0.840 1
1 1302 . 13 1 1 A 102 102 ALA CA C 102 55.400 54.585 0.815 1
1 1303 . 13 1 1 A 102 102 ALA CB C 102 18.600 18.249 0.351 1
1 1304 . 13 1 1 A 102 102 ALA N N 102 122.000 123.523 -1.523 1
1 1305 . 13 1 1 A 103 103 LYS H H 103 8.360 8.030 0.330 1
1 1306 . 13 1 1 A 103 103 LYS HA H 103 3.730 4.122 -0.392 1
1 1315 . 13 1 1 A 103 103 LYS C C 103 179.400 179.040 0.360 1
1 1316 . 13 1 1 A 103 103 LYS CA C 103 60.000 59.609 0.391 1
1 1317 . 13 1 1 A 103 103 LYS CB C 103 31.900 32.111 -0.211 1
1 1321 . 13 1 1 A 103 103 LYS N N 103 116.500 117.672 -1.172 1
1 1322 . 13 1 1 A 104 104 GLU H H 104 7.890 7.876 0.014 1
1 1323 . 13 1 1 A 104 104 GLU HA H 104 4.080 4.148 -0.068 1
1 1328 . 13 1 1 A 104 104 GLU C C 104 179.300 179.323 -0.023 1
1 1329 . 13 1 1 A 104 104 GLU CA C 104 59.500 59.059 0.441 1
1 1330 . 13 1 1 A 104 104 GLU CB C 104 29.100 29.586 -0.486 1
1 1332 . 13 1 1 A 104 104 GLU N N 104 120.000 119.541 0.459 1
1 1333 . 13 1 1 A 105 105 ILE H H 105 8.170 7.976 0.194 1
1 1334 . 13 1 1 A 105 105 ILE HA H 105 3.520 3.662 -0.142 1
1 1344 . 13 1 1 A 105 105 ILE C C 105 178.100 178.167 -0.067 1
1 1345 . 13 1 1 A 105 105 ILE CA C 105 66.700 65.305 1.395 1
1 1346 . 13 1 1 A 105 105 ILE CB C 105 37.700 37.610 0.090 1
1 1350 . 13 1 1 A 105 105 ILE N N 105 119.500 120.283 -0.783 1
1 1351 . 13 1 1 A 106 106 HIS H H 106 8.930 8.304 0.626 1
1 1352 . 13 1 1 A 106 106 HIS HA H 106 4.230 4.292 -0.062 1
1 1356 . 13 1 1 A 106 106 HIS C C 106 178.000 177.790 0.210 1
1 1357 . 13 1 1 A 106 106 HIS CA C 106 57.600 59.846 -2.246 1
1 1358 . 13 1 1 A 106 106 HIS CB C 106 28.400 29.419 -1.019 1
1 1360 . 13 1 1 A 106 106 HIS N N 106 116.700 120.164 -3.464 1
1 1361 . 13 1 1 A 107 107 SER H H 107 8.060 8.104 -0.044 1
1 1362 . 13 1 1 A 107 107 SER HA H 107 4.310 4.148 0.162 1
1 1365 . 13 1 1 A 107 107 SER C C 107 175.900 176.388 -0.488 1
1 1366 . 13 1 1 A 107 107 SER CA C 107 62.200 61.854 0.346 1
1 1367 . 13 1 1 A 107 107 SER CB C 107 62.500 63.033 -0.533 1
1 1368 . 13 1 1 A 107 107 SER N N 107 117.000 115.422 1.578 1
1 1369 . 13 1 1 A 108 108 LEU H H 108 7.950 8.186 -0.236 1
1 1370 . 13 1 1 A 108 108 LEU HA H 108 4.180 4.050 0.130 1
1 1380 . 13 1 1 A 108 108 LEU C C 108 180.600 179.023 1.577 1
1 1381 . 13 1 1 A 108 108 LEU CA C 108 57.900 58.049 -0.149 1
1 1382 . 13 1 1 A 108 108 LEU CB C 108 42.500 41.895 0.605 1
1 1386 . 13 1 1 A 108 108 LEU N N 108 121.800 120.364 1.436 1
1 1387 . 13 1 1 A 109 109 ILE H H 109 8.730 8.378 0.352 1
1 1388 . 13 1 1 A 109 109 ILE HA H 109 3.830 3.595 0.235 1
1 1398 . 13 1 1 A 109 109 ILE C C 109 176.800 178.222 -1.422 1
1 1399 . 13 1 1 A 109 109 ILE CA C 109 65.800 66.141 -0.341 1
1 1400 . 13 1 1 A 109 109 ILE CB C 109 38.600 38.085 0.515 1
1 1404 . 13 1 1 A 109 109 ILE N N 109 120.200 119.995 0.205 1
1 1405 . 13 1 1 A 110 110 GLU H H 110 7.960 8.661 -0.701 1
1 1406 . 13 1 1 A 110 110 GLU HA H 110 4.280 3.986 0.294 1
1 1411 . 13 1 1 A 110 110 GLU C C 110 178.500 178.571 -0.071 1
1 1412 . 13 1 1 A 110 110 GLU CA C 110 58.800 59.948 -1.148 1
1 1413 . 13 1 1 A 110 110 GLU CB C 110 28.200 29.008 -0.808 1
1 1415 . 13 1 1 A 110 110 GLU N N 110 120.800 121.301 -0.501 1
1 1416 . 13 1 1 A 111 111 ASP H H 111 8.290 8.022 0.268 1
1 1417 . 13 1 1 A 111 111 ASP HA H 111 4.470 4.481 -0.011 1
1 1420 . 13 1 1 A 111 111 ASP C C 111 178.200 178.610 -0.410 1
1 1421 . 13 1 1 A 111 111 ASP CA C 111 57.100 57.365 -0.265 1
1 1422 . 13 1 1 A 111 111 ASP CB C 111 39.300 40.030 -0.730 1
1 1423 . 13 1 1 A 111 111 ASP N N 111 119.200 120.518 -1.318 1
1 1424 . 13 1 1 A 112 112 SER H H 112 7.800 7.981 -0.181 1
1 1425 . 13 1 1 A 112 112 SER HA H 112 4.200 4.333 -0.133 1
1 1428 . 13 1 1 A 112 112 SER C C 112 178.600 176.961 1.639 1
1 1429 . 13 1 1 A 112 112 SER CA C 112 61.200 61.368 -0.168 1
1 1430 . 13 1 1 A 112 112 SER CB C 112 64.200 63.129 1.071 1
1 1431 . 13 1 1 A 112 112 SER N N 112 114.700 115.426 -0.726 1
1 1432 . 13 1 1 A 113 113 PHE H H 113 9.160 8.067 1.093 1
1 1433 . 13 1 1 A 113 113 PHE HA H 113 3.210 4.196 -0.986 1
1 1436 . 13 1 1 A 113 113 PHE C C 113 178.100 178.092 0.008 1
1 1437 . 13 1 1 A 113 113 PHE CA C 113 62.900 61.584 1.316 1
1 1438 . 13 1 1 A 113 113 PHE CB C 113 39.100 39.408 -0.308 1
1 1439 . 13 1 1 A 113 113 PHE N N 113 121.400 122.782 -1.382 1
1 1440 . 13 1 1 A 114 114 GLN H H 114 8.870 8.091 0.779 1
1 1441 . 13 1 1 A 114 114 GLN HA H 114 4.000 3.846 0.154 1
1 1448 . 13 1 1 A 114 114 GLN C C 114 179.700 179.258 0.442 1
1 1449 . 13 1 1 A 114 114 GLN CA C 114 58.300 58.874 -0.574 1
1 1450 . 13 1 1 A 114 114 GLN CB C 114 27.600 28.136 -0.536 1
1 1453 . 13 1 1 A 114 114 GLN N N 114 116.800 118.247 -1.447 1
1 1455 . 13 1 1 A 115 115 LEU H H 115 8.570 8.263 0.307 1
1 1456 . 13 1 1 A 115 115 LEU HA H 115 4.090 4.054 0.036 1
1 1466 . 13 1 1 A 115 115 LEU C C 115 178.600 178.045 0.555 1
1 1467 . 13 1 1 A 115 115 LEU CA C 115 57.300 57.860 -0.560 1
1 1468 . 13 1 1 A 115 115 LEU CB C 115 43.200 42.055 1.145 1
1 1472 . 13 1 1 A 115 115 LEU N N 115 119.800 119.987 -0.187 1
1 1473 . 13 1 1 A 116 116 THR H H 116 7.240 7.785 -0.545 1
1 1474 . 13 1 1 A 116 116 THR HA H 116 4.270 4.486 -0.216 1
1 1480 . 13 1 1 A 116 116 THR C C 116 173.200 174.466 -1.266 1
1 1481 . 13 1 1 A 116 116 THR CA C 116 60.700 61.400 -0.700 1
1 1482 . 13 1 1 A 116 116 THR CB C 116 70.800 69.473 1.327 1
1 1484 . 13 1 1 A 116 116 THR N N 116 104.900 105.255 -0.355 1
1 1485 . 13 1 1 A 117 117 ARG H H 117 6.840 7.147 -0.307 1
1 1486 . 13 1 1 A 117 117 ARG HA H 117 3.060 3.531 -0.471 1
1 1494 . 13 1 1 A 117 117 ARG C C 117 175.200 175.311 -0.111 1
1 1495 . 13 1 1 A 117 117 ARG CA C 117 55.900 55.992 -0.092 1
1 1496 . 13 1 1 A 117 117 ARG CB C 117 31.100 30.284 0.816 1
1 1500 . 13 1 1 A 117 117 ARG N N 117 120.900 122.852 -1.952 1
1 1502 . 13 1 1 A 118 118 LEU H H 118 8.380 8.146 0.234 1
1 1503 . 13 1 1 A 118 118 LEU HA H 118 4.100 4.260 -0.160 1
1 1513 . 13 1 1 A 118 118 LEU C C 118 176.500 176.434 0.066 1
1 1514 . 13 1 1 A 118 118 LEU CA C 118 55.300 55.553 -0.253 1
1 1515 . 13 1 1 A 118 118 LEU CB C 118 42.400 42.488 -0.088 1
1 1519 . 13 1 1 A 118 118 LEU N N 118 122.600 125.004 -2.404 1
1 1520 . 13 1 1 A 119 119 GLU H H 119 8.330 8.809 -0.479 1
1 1521 . 13 1 1 A 119 119 GLU HA H 119 4.160 4.373 -0.213 1
1 1526 . 13 1 1 A 119 119 GLU C C 119 175.800 174.626 1.174 1
1 1527 . 13 1 1 A 119 119 GLU CA C 119 56.000 55.822 0.178 1
1 1528 . 13 1 1 A 119 119 GLU CB C 119 30.300 30.723 -0.423 1
1 1530 . 13 1 1 A 119 119 GLU N N 119 124.000 124.676 -0.676 1
1 1531 . 13 1 1 A 120 120 HIS H H 120 8.520 7.270 1.250 1
1 1532 . 13 1 1 A 120 120 HIS HA H 120 4.620 4.976 -0.356 1
1 1535 . 13 1 1 A 120 120 HIS C C 120 174.000 173.775 0.225 1
1 1536 . 13 1 1 A 120 120 HIS CA C 120 55.300 54.290 1.010 1
1 1537 . 13 1 1 A 120 120 HIS CB C 120 29.300 30.977 -1.677 1
1 1538 . 13 1 1 A 120 120 HIS N N 120 120.100 118.019 2.081 1
1 1539 . 13 1 1 A 121 121 HIS H H 121 8.580 8.959 -0.379 1
1 1540 . 13 1 1 A 121 121 HIS HA H 121 4.620 4.553 0.067 1
1 1543 . 13 1 1 A 121 121 HIS C C 121 173.500 175.780 -2.280 1
1 1544 . 13 1 1 A 121 121 HIS CA C 121 55.300 55.197 0.103 1
1 1545 . 13 1 1 A 121 121 HIS CB C 121 29.200 29.755 -0.555 1
1 1546 . 13 1 1 A 121 121 HIS N N 121 120.800 124.251 -3.451 1
1 1547 . 13 1 1 A 122 122 HIS H H 122 8.400 9.127 -0.727 1
1 1548 . 13 1 1 A 122 122 HIS HA H 122 4.620 4.073 0.547 1
1 1551 . 13 1 1 A 122 122 HIS CA C 122 55.300 59.790 -4.490 1
1 1552 . 13 1 1 A 122 122 HIS CB C 122 29.200 30.368 -1.168 1
1 1553 . 13 1 1 A 122 122 HIS N N 122 125.700 125.596 0.104 1
1 1554 . 13 1 1 A 123 123 HIS H H 123 8.690 7.862 0.828 1
1 1555 . 13 1 1 A 123 123 HIS HA H 123 4.640 4.000 0.640 1
1 1558 . 13 1 1 A 123 123 HIS C C 123 174.100 175.155 -1.055 1
1 1559 . 13 1 1 A 123 123 HIS CA C 123 55.300 56.425 -1.125 1
1 1560 . 13 1 1 A 123 123 HIS CB C 123 29.300 27.097 2.203 1
1 1561 . 13 1 1 A 123 123 HIS N N 123 120.200 116.338 3.862 1
1 1562 . 13 1 1 A 124 124 HIS H H 124 8.710 8.098 0.612 1
1 1563 . 13 1 1 A 124 124 HIS HA H 124 4.640 4.391 0.249 1
1 1566 . 13 1 1 A 124 124 HIS C C 124 174.200 174.886 -0.686 1
1 1567 . 13 1 1 A 124 124 HIS CA C 124 55.300 59.702 -4.402 1
1 1568 . 13 1 1 A 124 124 HIS CB C 124 29.300 31.051 -1.751 1
1 14 . 14 1 1 A 2 2 ASN H H 2 8.500 8.967 -0.467 1
1 15 . 14 1 1 A 2 2 ASN HA H 2 4.990 5.132 -0.142 1
1 20 . 14 1 1 A 2 2 ASN C C 2 175.600 176.438 -0.838 1
1 21 . 14 1 1 A 2 2 ASN CA C 2 51.000 52.146 -1.146 1
1 22 . 14 1 1 A 2 2 ASN CB C 2 40.000 40.810 -0.810 1
1 24 . 14 1 1 A 2 2 ASN N N 2 122.000 123.116 -1.116 1
1 26 . 14 1 1 A 3 3 ARG H H 3 8.950 8.866 0.084 1
1 27 . 14 1 1 A 3 3 ARG HA H 3 3.850 3.971 -0.121 1
1 35 . 14 1 1 A 3 3 ARG C C 3 175.600 178.909 -3.309 1
1 36 . 14 1 1 A 3 3 ARG CA C 3 60.400 60.518 -0.118 1
1 37 . 14 1 1 A 3 3 ARG CB C 3 30.900 30.426 0.474 1
1 41 . 14 1 1 A 3 3 ARG N N 3 117.600 122.838 -5.238 1
1 43 . 14 1 1 A 4 4 GLN H H 4 8.370 8.161 0.209 1
1 44 . 14 1 1 A 4 4 GLN HA H 4 3.900 4.048 -0.148 1
1 51 . 14 1 1 A 4 4 GLN C C 4 178.300 178.338 -0.038 1
1 52 . 14 1 1 A 4 4 GLN CA C 4 58.900 59.336 -0.436 1
1 53 . 14 1 1 A 4 4 GLN CB C 4 28.200 28.398 -0.198 1
1 56 . 14 1 1 A 4 4 GLN N N 4 120.700 119.257 1.443 1
1 58 . 14 1 1 A 5 5 GLN H H 5 8.670 8.216 0.454 1
1 59 . 14 1 1 A 5 5 GLN HA H 5 4.190 4.161 0.029 1
1 66 . 14 1 1 A 5 5 GLN C C 5 180.000 178.571 1.429 1
1 67 . 14 1 1 A 5 5 GLN CA C 5 58.500 58.953 -0.453 1
1 68 . 14 1 1 A 5 5 GLN CB C 5 28.900 28.566 0.334 1
1 71 . 14 1 1 A 5 5 GLN N N 5 117.700 118.549 -0.849 1
1 73 . 14 1 1 A 6 6 PHE H H 6 8.270 8.114 0.156 1
1 74 . 14 1 1 A 6 6 PHE HA H 6 4.130 4.191 -0.061 1
1 82 . 14 1 1 A 6 6 PHE C C 6 175.500 177.403 -1.903 1
1 83 . 14 1 1 A 6 6 PHE CA C 6 62.700 61.278 1.422 1
1 84 . 14 1 1 A 6 6 PHE CB C 6 39.000 39.352 -0.352 1
1 90 . 14 1 1 A 6 6 PHE N N 6 121.200 120.411 0.789 1
1 91 . 14 1 1 A 7 7 ILE H H 7 8.390 8.928 -0.538 1
1 92 . 14 1 1 A 7 7 ILE HA H 7 3.280 3.657 -0.377 1
1 102 . 14 1 1 A 7 7 ILE C C 7 178.900 177.556 1.344 1
1 103 . 14 1 1 A 7 7 ILE CA C 7 66.400 65.399 1.001 1
1 104 . 14 1 1 A 7 7 ILE CB C 7 38.500 38.013 0.487 1
1 108 . 14 1 1 A 7 7 ILE N N 7 121.000 121.042 -0.042 1
1 109 . 14 1 1 A 8 8 ASP H H 8 8.710 8.575 0.135 1
1 110 . 14 1 1 A 8 8 ASP HA H 8 4.370 4.281 0.089 1
1 113 . 14 1 1 A 8 8 ASP C C 8 178.000 178.322 -0.322 1
1 114 . 14 1 1 A 8 8 ASP CA C 8 57.300 57.530 -0.230 1
1 115 . 14 1 1 A 8 8 ASP CB C 8 40.600 40.031 0.569 1
1 116 . 14 1 1 A 8 8 ASP N N 8 119.800 119.581 0.219 1
1 117 . 14 1 1 A 9 9 TYR H H 9 8.060 8.556 -0.496 1
1 118 . 14 1 1 A 9 9 TYR HA H 9 4.000 4.153 -0.153 1
1 125 . 14 1 1 A 9 9 TYR C C 9 176.500 177.779 -1.279 1
1 126 . 14 1 1 A 9 9 TYR CA C 9 61.700 61.939 -0.239 1
1 127 . 14 1 1 A 9 9 TYR CB C 9 38.600 38.719 -0.119 1
1 132 . 14 1 1 A 9 9 TYR N N 9 121.600 122.906 -1.306 1
1 133 . 14 1 1 A 10 10 ALA H H 10 8.340 8.055 0.285 1
1 134 . 14 1 1 A 10 10 ALA HA H 10 3.730 4.110 -0.380 1
1 138 . 14 1 1 A 10 10 ALA C C 10 180.200 179.637 0.563 1
1 139 . 14 1 1 A 10 10 ALA CA C 10 55.200 55.064 0.136 1
1 140 . 14 1 1 A 10 10 ALA CB C 10 17.300 17.915 -0.615 1
1 141 . 14 1 1 A 10 10 ALA N N 10 120.700 122.277 -1.577 1
1 142 . 14 1 1 A 11 11 GLN H H 11 7.830 7.579 0.251 1
1 143 . 14 1 1 A 11 11 GLN HA H 11 4.130 4.091 0.039 1
1 150 . 14 1 1 A 11 11 GLN C C 11 178.300 178.474 -0.174 1
1 151 . 14 1 1 A 11 11 GLN CA C 11 59.200 58.623 0.577 1
1 152 . 14 1 1 A 11 11 GLN CB C 11 28.600 28.323 0.277 1
1 155 . 14 1 1 A 11 11 GLN N N 11 116.600 118.284 -1.684 1
1 157 . 14 1 1 A 12 12 LYS H H 12 8.040 7.685 0.355 1
1 158 . 14 1 1 A 12 12 LYS HA H 12 3.890 3.890 0.000 1
1 167 . 14 1 1 A 12 12 LYS C C 12 178.200 178.611 -0.411 1
1 168 . 14 1 1 A 12 12 LYS CA C 12 58.800 59.321 -0.521 1
1 169 . 14 1 1 A 12 12 LYS CB C 12 32.700 31.987 0.713 1
1 173 . 14 1 1 A 12 12 LYS N N 12 119.300 121.220 -1.920 1
1 174 . 14 1 1 A 13 13 LYS H H 13 8.440 7.614 0.826 1
1 175 . 14 1 1 A 13 13 LYS HA H 13 3.610 3.841 -0.231 1
1 184 . 14 1 1 A 13 13 LYS C C 13 177.600 176.419 1.181 1
1 185 . 14 1 1 A 13 13 LYS CA C 13 56.900 57.290 -0.390 1
1 186 . 14 1 1 A 13 13 LYS CB C 13 32.000 32.354 -0.354 1
1 190 . 14 1 1 A 13 13 LYS N N 13 117.700 117.703 -0.003 1
1 191 . 14 1 1 A 14 14 TYR H H 14 6.780 7.603 -0.823 1
1 192 . 14 1 1 A 14 14 TYR HA H 14 4.530 4.669 -0.139 1
1 199 . 14 1 1 A 14 14 TYR C C 14 175.800 174.588 1.212 1
1 200 . 14 1 1 A 14 14 TYR CA C 14 56.600 57.898 -1.298 1
1 201 . 14 1 1 A 14 14 TYR CB C 14 39.500 40.376 -0.876 1
1 206 . 14 1 1 A 14 14 TYR N N 14 113.100 116.933 -3.833 1
1 207 . 14 1 1 A 15 15 ASP H H 15 7.620 8.697 -1.077 1
1 208 . 14 1 1 A 15 15 ASP HA H 15 4.810 4.212 0.598 1
1 211 . 14 1 1 A 15 15 ASP C C 15 175.200 174.170 1.030 1
1 212 . 14 1 1 A 15 15 ASP CA C 15 55.100 55.492 -0.392 1
1 213 . 14 1 1 A 15 15 ASP CB C 15 39.300 39.251 0.049 1
1 214 . 14 1 1 A 15 15 ASP N N 15 119.600 117.440 2.160 1
1 215 . 14 1 1 A 16 16 THR H H 16 7.560 7.793 -0.233 1
1 216 . 14 1 1 A 16 16 THR HA H 16 4.650 4.698 -0.048 1
1 222 . 14 1 1 A 16 16 THR C C 16 173.200 173.645 -0.445 1
1 223 . 14 1 1 A 16 16 THR CA C 16 61.500 60.326 1.174 1
1 224 . 14 1 1 A 16 16 THR CB C 16 71.000 71.364 -0.364 1
1 226 . 14 1 1 A 16 16 THR N N 16 113.100 112.406 0.694 1
1 227 . 14 1 1 A 17 17 LYS H H 17 8.830 8.427 0.403 1
1 228 . 14 1 1 A 17 17 LYS HA H 17 4.690 4.785 -0.095 1
1 235 . 14 1 1 A 17 17 LYS C C 17 173.200 174.081 -0.881 1
1 236 . 14 1 1 A 17 17 LYS CA C 17 53.600 52.890 0.710 1
1 237 . 14 1 1 A 17 17 LYS CB C 17 32.800 32.807 -0.007 1
1 241 . 14 1 1 A 17 17 LYS N N 17 127.200 125.825 1.375 1
1 242 . 14 1 1 A 18 18 PRO HA H 18 3.540 3.832 -0.292 1
1 249 . 14 1 1 A 18 18 PRO C C 18 175.800 174.781 1.019 1
1 250 . 14 1 1 A 18 18 PRO CA C 18 62.000 62.982 -0.982 1
1 251 . 14 1 1 A 18 18 PRO CB C 18 32.200 31.988 0.212 1
1 254 . 14 1 1 A 19 19 ASP H H 19 8.310 7.938 0.372 1
1 255 . 14 1 1 A 19 19 ASP HA H 19 4.740 4.779 -0.039 1
1 258 . 14 1 1 A 19 19 ASP C C 19 175.100 175.233 -0.133 1
1 259 . 14 1 1 A 19 19 ASP CA C 19 52.300 52.780 -0.480 1
1 260 . 14 1 1 A 19 19 ASP CB C 19 43.700 44.261 -0.561 1
1 261 . 14 1 1 A 19 19 ASP N N 19 120.300 121.966 -1.666 1
1 262 . 14 1 1 A 20 20 HIS H H 20 8.620 8.375 0.245 1
1 263 . 14 1 1 A 20 20 HIS HA H 20 5.170 5.106 0.064 1
1 266 . 14 1 1 A 20 20 HIS CA C 20 53.200 54.343 -1.143 1
1 267 . 14 1 1 A 20 20 HIS CB C 20 28.800 30.168 -1.368 1
1 268 . 14 1 1 A 20 20 HIS N N 20 118.800 122.784 -3.984 1
1 269 . 14 1 1 A 21 21 PRO HA H 21 4.190 4.114 0.076 1
1 276 . 14 1 1 A 21 21 PRO C C 21 176.600 176.334 0.266 1
1 277 . 14 1 1 A 21 21 PRO CA C 21 63.900 65.649 -1.749 1
1 278 . 14 1 1 A 21 21 PRO CB C 21 32.100 31.010 1.090 1
1 281 . 14 1 1 A 22 22 TRP H H 22 8.340 7.864 0.476 1
1 282 . 14 1 1 A 22 22 TRP HA H 22 5.000 4.694 0.306 1
1 291 . 14 1 1 A 22 22 TRP C C 22 174.200 177.866 -3.666 1
1 292 . 14 1 1 A 22 22 TRP CA C 22 57.100 57.319 -0.219 1
1 293 . 14 1 1 A 22 22 TRP CB C 22 29.400 30.160 -0.760 1
1 299 . 14 1 1 A 22 22 TRP N N 22 118.700 118.284 0.416 1
1 301 . 14 1 1 A 23 23 GLU H H 23 9.030 8.975 0.055 1
1 302 . 14 1 1 A 23 23 GLU HA H 23 4.000 3.835 0.165 1
1 307 . 14 1 1 A 23 23 GLU C C 23 177.900 177.692 0.208 1
1 308 . 14 1 1 A 23 23 GLU CA C 23 59.100 58.733 0.367 1
1 309 . 14 1 1 A 23 23 GLU CB C 23 29.200 29.067 0.133 1
1 311 . 14 1 1 A 23 23 GLU N N 23 128.400 123.133 5.267 1
1 312 . 14 1 1 A 24 24 LYS H H 24 8.500 7.941 0.559 1
1 313 . 14 1 1 A 24 24 LYS HA H 24 3.890 4.086 -0.196 1
1 322 . 14 1 1 A 24 24 LYS C C 24 175.300 176.373 -1.073 1
1 323 . 14 1 1 A 24 24 LYS CA C 24 57.100 57.953 -0.853 1
1 324 . 14 1 1 A 24 24 LYS CB C 24 32.300 32.099 0.201 1
1 328 . 14 1 1 A 24 24 LYS N N 24 115.100 117.806 -2.706 1
1 329 . 14 1 1 A 25 25 PHE H H 25 7.010 8.056 -1.046 1
1 330 . 14 1 1 A 25 25 PHE HA H 25 4.740 5.122 -0.382 1
1 338 . 14 1 1 A 25 25 PHE C C 25 175.300 174.484 0.816 1
1 339 . 14 1 1 A 25 25 PHE CA C 25 54.300 54.486 -0.186 1
1 340 . 14 1 1 A 25 25 PHE CB C 25 39.200 38.628 0.572 1
1 346 . 14 1 1 A 25 25 PHE N N 25 115.100 117.370 -2.270 1
1 347 . 14 1 1 A 26 26 PRO HA H 26 4.380 4.916 -0.536 1
1 354 . 14 1 1 A 26 26 PRO C C 26 176.900 177.546 -0.646 1
1 355 . 14 1 1 A 26 26 PRO CA C 26 64.900 65.119 -0.219 1
1 356 . 14 1 1 A 26 26 PRO CB C 26 32.200 31.946 0.254 1
1 359 . 14 1 1 A 27 27 ASP H H 27 8.860 8.603 0.257 1
1 360 . 14 1 1 A 27 27 ASP HA H 27 4.810 4.801 0.009 1
1 363 . 14 1 1 A 27 27 ASP C C 27 177.200 176.878 0.322 1
1 364 . 14 1 1 A 27 27 ASP CA C 27 53.900 54.963 -1.063 1
1 365 . 14 1 1 A 27 27 ASP CB C 27 39.900 40.895 -0.995 1
1 366 . 14 1 1 A 27 27 ASP N N 27 114.400 116.709 -2.309 1
1 367 . 14 1 1 A 28 28 TYR H H 28 8.300 7.922 0.378 1
1 368 . 14 1 1 A 28 28 TYR HA H 28 5.500 4.951 0.549 1
1 375 . 14 1 1 A 28 28 TYR C C 28 175.900 176.304 -0.404 1
1 376 . 14 1 1 A 28 28 TYR CA C 28 55.600 57.814 -2.214 1
1 377 . 14 1 1 A 28 28 TYR CB C 28 36.400 40.448 -4.048 1
1 382 . 14 1 1 A 28 28 TYR N N 28 123.700 117.547 6.153 1
1 383 . 14 1 1 A 29 29 ALA H H 29 9.240 8.406 0.834 1
1 384 . 14 1 1 A 29 29 ALA HA H 29 5.030 5.043 -0.013 1
1 388 . 14 1 1 A 29 29 ALA C C 29 174.600 175.748 -1.148 1
1 389 . 14 1 1 A 29 29 ALA CA C 29 49.700 50.685 -0.985 1
1 390 . 14 1 1 A 29 29 ALA CB C 29 22.800 22.295 0.505 1
1 391 . 14 1 1 A 29 29 ALA N N 29 126.000 124.069 1.931 1
1 392 . 14 1 1 A 30 30 VAL H H 30 8.530 8.792 -0.262 1
1 393 . 14 1 1 A 30 30 VAL HA H 30 4.250 4.943 -0.693 1
1 401 . 14 1 1 A 30 30 VAL C C 30 173.400 174.626 -1.226 1
1 402 . 14 1 1 A 30 30 VAL CA C 30 60.300 60.957 -0.657 1
1 403 . 14 1 1 A 30 30 VAL CB C 30 34.100 35.044 -0.944 1
1 406 . 14 1 1 A 30 30 VAL N N 30 119.700 121.927 -2.227 1
1 407 . 14 1 1 A 31 31 PHE H H 31 8.040 8.611 -0.571 1
1 408 . 14 1 1 A 31 31 PHE HA H 31 4.250 4.886 -0.636 1
1 416 . 14 1 1 A 31 31 PHE C C 31 173.200 174.357 -1.157 1
1 417 . 14 1 1 A 31 31 PHE CA C 31 56.700 56.500 0.200 1
1 418 . 14 1 1 A 31 31 PHE CB C 31 38.500 41.622 -3.122 1
1 424 . 14 1 1 A 31 31 PHE N N 31 124.100 126.502 -2.402 1
1 425 . 14 1 1 A 32 32 ARG H H 32 8.720 8.630 0.090 1
1 426 . 14 1 1 A 32 32 ARG HA H 32 5.320 3.050 2.270 1
1 434 . 14 1 1 A 32 32 ARG C C 32 176.400 173.383 3.017 1
1 435 . 14 1 1 A 32 32 ARG CA C 32 53.400 53.008 0.392 1
1 436 . 14 1 1 A 32 32 ARG CB C 32 34.200 32.535 1.665 1
1 440 . 14 1 1 A 32 32 ARG N N 32 122.300 118.776 3.524 1
1 442 . 14 1 1 A 33 33 HIS H H 33 8.560 7.306 1.254 1
1 443 . 14 1 1 A 33 33 HIS HA H 33 4.710 4.808 -0.098 1
1 446 . 14 1 1 A 33 33 HIS C C 33 176.400 175.093 1.307 1
1 447 . 14 1 1 A 33 33 HIS CA C 33 56.500 54.572 1.928 1
1 448 . 14 1 1 A 33 33 HIS CB C 33 28.900 31.657 -2.757 1
1 449 . 14 1 1 A 33 33 HIS N N 33 119.800 120.550 -0.750 1
1 450 . 14 1 1 A 34 34 SER H H 34 9.160 8.939 0.221 1
1 451 . 14 1 1 A 34 34 SER HA H 34 4.390 4.441 -0.051 1
1 454 . 14 1 1 A 34 34 SER C C 34 174.900 175.250 -0.350 1
1 455 . 14 1 1 A 34 34 SER CA C 34 60.400 60.969 -0.569 1
1 456 . 14 1 1 A 34 34 SER CB C 34 63.200 63.678 -0.478 1
1 457 . 14 1 1 A 34 34 SER N N 34 118.700 118.638 0.062 1
1 458 . 14 1 1 A 35 35 ASP H H 35 8.660 8.456 0.204 1
1 459 . 14 1 1 A 35 35 ASP HA H 35 4.570 4.643 -0.073 1
1 462 . 14 1 1 A 35 35 ASP C C 35 177.000 176.484 0.516 1
1 463 . 14 1 1 A 35 35 ASP CA C 35 54.300 54.110 0.190 1
1 464 . 14 1 1 A 35 35 ASP CB C 35 39.700 40.056 -0.356 1
1 465 . 14 1 1 A 35 35 ASP N N 35 118.200 118.279 -0.079 1
1 466 . 14 1 1 A 36 36 ASN H H 36 7.900 7.938 -0.038 1
1 467 . 14 1 1 A 36 36 ASN HA H 36 4.660 5.073 -0.413 1
1 472 . 14 1 1 A 36 36 ASN C C 36 175.100 174.921 0.179 1
1 473 . 14 1 1 A 36 36 ASN CA C 36 52.000 51.879 0.121 1
1 474 . 14 1 1 A 36 36 ASN CB C 36 38.900 38.876 0.024 1
1 476 . 14 1 1 A 36 36 ASN N N 36 116.200 118.658 -2.458 1
1 478 . 14 1 1 A 37 37 ASP H H 37 7.890 8.256 -0.366 1
1 479 . 14 1 1 A 37 37 ASP HA H 37 4.670 4.279 0.391 1
1 482 . 14 1 1 A 37 37 ASP C C 37 175.800 175.516 0.284 1
1 483 . 14 1 1 A 37 37 ASP CA C 37 55.800 56.349 -0.549 1
1 484 . 14 1 1 A 37 37 ASP CB C 37 40.500 39.568 0.932 1
1 485 . 14 1 1 A 37 37 ASP N N 37 115.300 116.743 -1.443 1
1 486 . 14 1 1 A 38 38 LYS H H 38 8.310 8.150 0.160 1
1 487 . 14 1 1 A 38 38 LYS HA H 38 4.390 3.950 0.440 1
1 496 . 14 1 1 A 38 38 LYS C C 38 175.300 175.911 -0.611 1
1 497 . 14 1 1 A 38 38 LYS CA C 38 56.700 55.801 0.899 1
1 498 . 14 1 1 A 38 38 LYS CB C 38 32.500 33.377 -0.877 1
1 502 . 14 1 1 A 38 38 LYS N N 38 119.300 116.857 2.443 1
1 503 . 14 1 1 A 39 39 TRP HA H 39 5.000 5.237 -0.237 1
1 512 . 14 1 1 A 39 39 TRP C C 39 176.100 173.054 3.046 1
1 513 . 14 1 1 A 39 39 TRP CA C 39 55.700 55.966 -0.266 1
1 514 . 14 1 1 A 39 39 TRP CB C 39 30.300 31.185 -0.885 1
1 521 . 14 1 1 A 40 40 TYR H H 40 9.270 8.950 0.320 1
1 522 . 14 1 1 A 40 40 TYR HA H 40 5.280 5.251 0.029 1
1 525 . 14 1 1 A 40 40 TYR C C 40 175.400 174.982 0.418 1
1 526 . 14 1 1 A 40 40 TYR CA C 40 55.700 56.144 -0.444 1
1 527 . 14 1 1 A 40 40 TYR CB C 40 40.300 41.719 -1.419 1
1 528 . 14 1 1 A 40 40 TYR N N 40 114.000 119.346 -5.346 1
1 529 . 14 1 1 A 41 41 ALA H H 41 7.760 8.758 -0.998 1
1 530 . 14 1 1 A 41 41 ALA HA H 41 5.580 5.153 0.427 1
1 534 . 14 1 1 A 41 41 ALA C C 41 177.300 175.786 1.514 1
1 535 . 14 1 1 A 41 41 ALA CA C 41 52.900 52.017 0.883 1
1 536 . 14 1 1 A 41 41 ALA CB C 41 21.900 21.858 0.042 1
1 537 . 14 1 1 A 41 41 ALA N N 41 121.500 123.631 -2.131 1
1 538 . 14 1 1 A 42 42 LEU H H 42 8.300 8.862 -0.562 1
1 539 . 14 1 1 A 42 42 LEU HA H 42 5.200 5.483 -0.283 1
1 549 . 14 1 1 A 42 42 LEU C C 42 173.300 174.514 -1.214 1
1 550 . 14 1 1 A 42 42 LEU CA C 42 54.100 53.689 0.411 1
1 551 . 14 1 1 A 42 42 LEU CB C 42 45.900 46.180 -0.280 1
1 555 . 14 1 1 A 42 42 LEU N N 42 123.700 119.717 3.983 1
1 556 . 14 1 1 A 43 43 LEU H H 43 9.700 9.122 0.578 1
1 557 . 14 1 1 A 43 43 LEU HA H 43 5.250 5.497 -0.247 1
1 567 . 14 1 1 A 43 43 LEU C C 43 173.300 175.206 -1.906 1
1 568 . 14 1 1 A 43 43 LEU CA C 43 54.000 53.345 0.655 1
1 569 . 14 1 1 A 43 43 LEU CB C 43 46.000 45.353 0.647 1
1 573 . 14 1 1 A 43 43 LEU N N 43 130.400 122.512 7.888 1
1 574 . 14 1 1 A 44 44 MET H H 44 8.800 8.444 0.356 1
1 575 . 14 1 1 A 44 44 MET HA H 44 4.420 4.616 -0.196 1
1 583 . 14 1 1 A 44 44 MET C C 44 172.500 173.347 -0.847 1
1 584 . 14 1 1 A 44 44 MET CA C 44 55.000 53.569 1.431 1
1 585 . 14 1 1 A 44 44 MET CB C 44 39.100 35.113 3.987 1
1 588 . 14 1 1 A 44 44 MET N N 44 122.800 123.000 -0.200 1
1 589 . 14 1 1 A 45 45 ASP H H 45 7.960 8.408 -0.448 1
1 590 . 14 1 1 A 45 45 ASP HA H 45 5.490 5.384 0.106 1
1 593 . 14 1 1 A 45 45 ASP C C 45 175.200 175.850 -0.650 1
1 594 . 14 1 1 A 45 45 ASP CA C 45 51.900 53.563 -1.663 1
1 595 . 14 1 1 A 45 45 ASP CB C 45 40.800 41.792 -0.992 1
1 596 . 14 1 1 A 45 45 ASP N N 45 119.400 119.052 0.348 1
1 597 . 14 1 1 A 46 46 ILE H H 46 8.800 8.331 0.469 1
1 598 . 14 1 1 A 46 46 ILE HA H 46 4.870 4.953 -0.083 1
1 608 . 14 1 1 A 46 46 ILE CA C 46 57.700 57.144 0.556 1
1 609 . 14 1 1 A 46 46 ILE CB C 46 40.100 39.813 0.287 1
1 613 . 14 1 1 A 46 46 ILE N N 46 117.400 118.100 -0.700 1
1 614 . 14 1 1 A 47 47 PRO HA H 47 4.420 4.485 -0.065 1
1 621 . 14 1 1 A 47 47 PRO C C 47 177.800 177.449 0.351 1
1 622 . 14 1 1 A 47 47 PRO CA C 47 63.000 63.153 -0.153 1
1 623 . 14 1 1 A 47 47 PRO CB C 47 31.900 32.542 -0.642 1
1 626 . 14 1 1 A 48 48 ALA H H 48 8.550 9.055 -0.505 1
1 627 . 14 1 1 A 48 48 ALA HA H 48 3.550 3.982 -0.432 1
1 631 . 14 1 1 A 48 48 ALA C C 48 179.200 179.329 -0.129 1
1 632 . 14 1 1 A 48 48 ALA CA C 48 55.200 54.815 0.385 1
1 633 . 14 1 1 A 48 48 ALA CB C 48 17.700 18.180 -0.480 1
1 634 . 14 1 1 A 48 48 ALA N N 48 130.100 127.398 2.702 1
1 635 . 14 1 1 A 49 49 GLU H H 49 8.700 8.277 0.423 1
1 636 . 14 1 1 A 49 49 GLU HA H 49 4.180 4.325 -0.145 1
1 641 . 14 1 1 A 49 49 GLU C C 49 179.800 177.422 2.378 1
1 642 . 14 1 1 A 49 49 GLU CA C 49 58.200 58.123 0.077 1
1 643 . 14 1 1 A 49 49 GLU CB C 49 28.200 27.805 0.395 1
1 645 . 14 1 1 A 49 49 GLU N N 49 114.900 115.793 -0.893 1
1 646 . 14 1 1 A 50 50 LYS H H 50 7.910 7.597 0.313 1
1 647 . 14 1 1 A 50 50 LYS HA H 50 4.060 4.228 -0.168 1
1 656 . 14 1 1 A 50 50 LYS C C 50 178.100 177.902 0.198 1
1 657 . 14 1 1 A 50 50 LYS CA C 50 56.900 57.416 -0.516 1
1 658 . 14 1 1 A 50 50 LYS CB C 50 31.700 32.478 -0.778 1
1 662 . 14 1 1 A 50 50 LYS N N 50 118.100 118.109 -0.009 1
1 663 . 14 1 1 A 51 51 ILE H H 51 7.190 7.224 -0.034 1
1 664 . 14 1 1 A 51 51 ILE HA H 51 4.490 4.360 0.130 1
1 674 . 14 1 1 A 51 51 ILE C C 51 175.300 176.688 -1.388 1
1 675 . 14 1 1 A 51 51 ILE CA C 51 60.100 60.260 -0.160 1
1 676 . 14 1 1 A 51 51 ILE CB C 51 37.400 37.464 -0.064 1
1 680 . 14 1 1 A 51 51 ILE N N 51 109.000 112.429 -3.429 1
1 681 . 14 1 1 A 52 52 GLY H H 52 7.370 8.068 -0.698 1
1 682 . 14 1 1 A 52 52 GLY HA2 H 52 4.050 3.994 0.056 1
1 683 . 14 1 1 A 52 52 GLY HA3 H 52 3.730 4.039 -0.309 1
1 684 . 14 1 1 A 52 52 GLY C C 52 174.200 174.129 0.071 1
1 685 . 14 1 1 A 52 52 GLY CA C 52 46.100 45.141 0.959 1
1 686 . 14 1 1 A 52 52 GLY N N 52 106.900 110.620 -3.720 1
1 687 . 14 1 1 A 53 53 ILE H H 53 7.260 7.138 0.122 1
1 688 . 14 1 1 A 53 53 ILE HA H 53 4.040 4.038 0.002 1
1 698 . 14 1 1 A 53 53 ILE C C 53 174.700 175.291 -0.591 1
1 699 . 14 1 1 A 53 53 ILE CA C 53 60.500 60.545 -0.045 1
1 700 . 14 1 1 A 53 53 ILE CB C 53 38.700 37.495 1.205 1
1 704 . 14 1 1 A 53 53 ILE N N 53 121.900 123.082 -1.182 1
1 705 . 14 1 1 A 54 54 ASN H H 54 8.280 8.654 -0.374 1
1 706 . 14 1 1 A 54 54 ASN HA H 54 4.540 4.936 -0.396 1
1 711 . 14 1 1 A 54 54 ASN C C 54 175.400 174.923 0.477 1
1 712 . 14 1 1 A 54 54 ASN CA C 54 53.700 53.362 0.338 1
1 713 . 14 1 1 A 54 54 ASN CB C 54 39.000 37.311 1.689 1
1 715 . 14 1 1 A 54 54 ASN N N 54 123.300 125.929 -2.629 1
1 717 . 14 1 1 A 55 55 GLY H H 55 8.240 7.767 0.473 1
1 718 . 14 1 1 A 55 55 GLY HA2 H 55 4.230 4.137 0.093 1
1 719 . 14 1 1 A 55 55 GLY HA3 H 55 3.740 4.143 -0.403 1
1 720 . 14 1 1 A 55 55 GLY C C 55 173.200 173.309 -0.109 1
1 721 . 14 1 1 A 55 55 GLY CA C 55 44.800 46.017 -1.217 1
1 722 . 14 1 1 A 55 55 GLY N N 55 110.200 110.467 -0.267 1
1 723 . 14 1 1 A 56 56 ASP H H 56 8.320 8.733 -0.413 1
1 724 . 14 1 1 A 56 56 ASP HA H 56 4.700 4.620 0.080 1
1 727 . 14 1 1 A 56 56 ASP C C 56 175.800 176.609 -0.809 1
1 728 . 14 1 1 A 56 56 ASP CA C 56 53.400 53.816 -0.416 1
1 729 . 14 1 1 A 56 56 ASP CB C 56 40.500 40.599 -0.099 1
1 730 . 14 1 1 A 56 56 ASP N N 56 119.000 120.638 -1.638 1
1 731 . 14 1 1 A 57 57 LYS H H 57 7.780 7.344 0.436 1
1 732 . 14 1 1 A 57 57 LYS HA H 57 4.400 4.416 -0.016 1
1 741 . 14 1 1 A 57 57 LYS C C 57 175.700 176.156 -0.456 1
1 742 . 14 1 1 A 57 57 LYS CA C 57 55.600 56.059 -0.459 1
1 743 . 14 1 1 A 57 57 LYS CB C 57 33.700 33.276 0.424 1
1 747 . 14 1 1 A 57 57 LYS N N 57 119.500 118.417 1.083 1
1 748 . 14 1 1 A 58 58 ARG H H 58 8.410 8.435 -0.025 1
1 749 . 14 1 1 A 58 58 ARG HA H 58 4.740 4.835 -0.095 1
1 757 . 14 1 1 A 58 58 ARG C C 58 176.200 175.773 0.427 1
1 758 . 14 1 1 A 58 58 ARG CA C 58 55.300 55.492 -0.192 1
1 759 . 14 1 1 A 58 58 ARG CB C 58 31.700 31.811 -0.111 1
1 763 . 14 1 1 A 58 58 ARG N N 58 120.900 119.984 0.916 1
1 765 . 14 1 1 A 59 59 VAL H H 59 9.030 8.572 0.458 1
1 766 . 14 1 1 A 59 59 VAL HA H 59 4.570 4.899 -0.329 1
1 774 . 14 1 1 A 59 59 VAL C C 59 173.900 173.626 0.274 1
1 775 . 14 1 1 A 59 59 VAL CA C 59 58.700 58.571 0.129 1
1 776 . 14 1 1 A 59 59 VAL CB C 59 34.700 35.471 -0.771 1
1 779 . 14 1 1 A 59 59 VAL N N 59 115.600 116.438 -0.838 1
1 780 . 14 1 1 A 60 60 ASP H H 60 8.290 8.799 -0.509 1
1 781 . 14 1 1 A 60 60 ASP HA H 60 5.560 5.342 0.218 1
1 784 . 14 1 1 A 60 60 ASP C C 60 175.800 175.831 -0.031 1
1 785 . 14 1 1 A 60 60 ASP CA C 60 53.600 53.522 0.078 1
1 786 . 14 1 1 A 60 60 ASP CB C 60 43.100 42.620 0.480 1
1 787 . 14 1 1 A 60 60 ASP N N 60 120.700 122.863 -2.163 1
1 788 . 14 1 1 A 61 61 VAL H H 61 9.080 8.699 0.381 1
1 789 . 14 1 1 A 61 61 VAL HA H 61 5.150 5.291 -0.141 1
1 797 . 14 1 1 A 61 61 VAL C C 61 173.800 174.268 -0.468 1
1 798 . 14 1 1 A 61 61 VAL CA C 61 57.600 59.136 -1.536 1
1 799 . 14 1 1 A 61 61 VAL CB C 61 35.500 35.870 -0.370 1
1 802 . 14 1 1 A 61 61 VAL N N 61 115.200 118.190 -2.990 1
1 803 . 14 1 1 A 62 62 ILE H H 62 8.530 8.305 0.225 1
1 804 . 14 1 1 A 62 62 ILE HA H 62 5.550 5.100 0.450 1
1 814 . 14 1 1 A 62 62 ILE CA C 62 57.800 58.210 -0.410 1
1 815 . 14 1 1 A 62 62 ILE CB C 62 41.700 41.636 0.064 1
1 819 . 14 1 1 A 62 62 ILE N N 62 112.000 117.122 -5.122 1
1 820 . 14 1 1 A 64 64 LEU HA H 64 4.960 5.191 -0.231 1
1 830 . 14 1 1 A 64 64 LEU C C 64 173.100 175.099 -1.999 1
1 831 . 14 1 1 A 64 64 LEU CA C 64 53.500 53.435 0.065 1
1 832 . 14 1 1 A 64 64 LEU CB C 64 47.000 46.338 0.662 1
1 836 . 14 1 1 A 65 65 LYS H H 65 8.470 8.940 -0.470 1
1 837 . 14 1 1 A 65 65 LYS HA H 65 3.760 5.037 -1.277 1
1 846 . 14 1 1 A 65 65 LYS C C 65 175.100 176.423 -1.323 1
1 847 . 14 1 1 A 65 65 LYS CA C 65 55.700 56.322 -0.622 1
1 848 . 14 1 1 A 65 65 LYS CB C 65 33.600 33.478 0.122 1
1 852 . 14 1 1 A 65 65 LYS N N 65 126.700 128.573 -1.873 1
1 853 . 14 1 1 A 66 66 VAL H H 66 7.840 8.691 -0.851 1
1 854 . 14 1 1 A 66 66 VAL HA H 66 4.410 4.916 -0.506 1
1 862 . 14 1 1 A 66 66 VAL C C 66 175.300 174.652 0.648 1
1 863 . 14 1 1 A 66 66 VAL CA C 66 58.300 58.795 -0.495 1
1 864 . 14 1 1 A 66 66 VAL CB C 66 36.400 36.047 0.353 1
1 867 . 14 1 1 A 66 66 VAL N N 66 116.000 119.144 -3.144 1
1 868 . 14 1 1 A 67 67 GLN H H 67 8.620 8.559 0.061 1
1 869 . 14 1 1 A 67 67 GLN HA H 67 4.350 4.485 -0.135 1
1 876 . 14 1 1 A 67 67 GLN CA C 67 54.900 54.155 0.745 1
1 877 . 14 1 1 A 67 67 GLN CB C 67 27.600 28.366 -0.766 1
1 880 . 14 1 1 A 67 67 GLN N N 67 123.000 120.977 2.023 1
1 882 . 14 1 1 A 68 68 PRO HA H 68 4.200 4.163 0.037 1
1 889 . 14 1 1 A 68 68 PRO C C 68 179.400 177.595 1.805 1
1 890 . 14 1 1 A 68 68 PRO CA C 68 65.100 64.483 0.617 1
1 891 . 14 1 1 A 68 68 PRO CB C 68 31.700 31.854 -0.154 1
1 894 . 14 1 1 A 69 69 GLU H H 69 9.620 8.386 1.234 1
1 895 . 14 1 1 A 69 69 GLU HA H 69 4.190 4.174 0.016 1
1 900 . 14 1 1 A 69 69 GLU C C 69 177.100 177.876 -0.776 1
1 901 . 14 1 1 A 69 69 GLU CA C 69 58.600 58.176 0.424 1
1 902 . 14 1 1 A 69 69 GLU CB C 69 28.100 29.888 -1.788 1
1 904 . 14 1 1 A 69 69 GLU N N 69 116.900 116.730 0.170 1
1 905 . 14 1 1 A 70 70 LEU H H 70 7.940 7.690 0.250 1
1 906 . 14 1 1 A 70 70 LEU HA H 70 4.460 4.395 0.065 1
1 916 . 14 1 1 A 70 70 LEU C C 70 177.600 177.806 -0.206 1
1 917 . 14 1 1 A 70 70 LEU CA C 70 54.500 54.760 -0.260 1
1 918 . 14 1 1 A 70 70 LEU CB C 70 42.800 42.018 0.782 1
1 922 . 14 1 1 A 70 70 LEU N N 70 118.700 118.328 0.372 1
1 923 . 14 1 1 A 71 71 VAL H H 71 7.080 7.479 -0.399 1
1 924 . 14 1 1 A 71 71 VAL HA H 71 3.210 3.764 -0.554 1
1 932 . 14 1 1 A 71 71 VAL C C 71 176.800 177.965 -1.165 1
1 933 . 14 1 1 A 71 71 VAL CA C 71 67.700 66.005 1.695 1
1 934 . 14 1 1 A 71 71 VAL CB C 71 32.000 31.049 0.951 1
1 937 . 14 1 1 A 71 71 VAL N N 71 120.300 120.065 0.235 1
1 938 . 14 1 1 A 72 72 GLY H H 72 8.540 8.479 0.061 1
1 939 . 14 1 1 A 72 72 GLY HA2 H 72 3.770 3.902 -0.132 1
1 940 . 14 1 1 A 72 72 GLY HA3 H 72 3.630 3.904 -0.274 1
1 941 . 14 1 1 A 72 72 GLY C C 72 176.300 176.313 -0.013 1
1 942 . 14 1 1 A 72 72 GLY CA C 72 47.000 46.708 0.292 1
1 943 . 14 1 1 A 72 72 GLY N N 72 105.300 109.125 -3.825 1
1 944 . 14 1 1 A 73 73 SER H H 73 7.870 7.952 -0.082 1
1 945 . 14 1 1 A 73 73 SER HA H 73 4.170 4.139 0.031 1
1 948 . 14 1 1 A 73 73 SER C C 73 178.000 176.697 1.303 1
1 949 . 14 1 1 A 73 73 SER CA C 73 60.600 61.279 -0.679 1
1 950 . 14 1 1 A 73 73 SER CB C 73 62.700 62.649 0.051 1
1 951 . 14 1 1 A 73 73 SER N N 73 115.700 116.409 -0.709 1
1 952 . 14 1 1 A 74 74 LEU H H 74 8.340 7.941 0.399 1
1 953 . 14 1 1 A 74 74 LEU HA H 74 4.000 4.095 -0.095 1
1 963 . 14 1 1 A 74 74 LEU C C 74 178.400 179.292 -0.892 1
1 964 . 14 1 1 A 74 74 LEU CA C 74 57.900 57.372 0.528 1
1 965 . 14 1 1 A 74 74 LEU CB C 74 41.700 41.748 -0.048 1
1 969 . 14 1 1 A 74 74 LEU N N 74 124.600 118.804 5.796 1
1 970 . 14 1 1 A 75 75 ARG H H 75 7.850 7.931 -0.081 1
1 971 . 14 1 1 A 75 75 ARG HA H 75 3.750 4.046 -0.296 1
1 979 . 14 1 1 A 75 75 ARG C C 75 176.500 177.954 -1.454 1
1 980 . 14 1 1 A 75 75 ARG CA C 75 57.800 58.879 -1.079 1
1 981 . 14 1 1 A 75 75 ARG CB C 75 29.500 29.591 -0.091 1
1 985 . 14 1 1 A 75 75 ARG N N 75 113.300 119.111 -5.811 1
1 987 . 14 1 1 A 76 76 LYS H H 76 7.100 8.082 -0.982 1
1 988 . 14 1 1 A 76 76 LYS HA H 76 4.210 4.411 -0.201 1
1 997 . 14 1 1 A 76 76 LYS C C 76 177.000 176.718 0.282 1
1 998 . 14 1 1 A 76 76 LYS CA C 76 56.500 57.714 -1.214 1
1 999 . 14 1 1 A 76 76 LYS CB C 76 32.700 32.240 0.460 1
1 1003 . 14 1 1 A 76 76 LYS N N 76 116.600 115.389 1.211 1
1 1004 . 14 1 1 A 77 77 LYS H H 77 7.830 7.327 0.503 1
1 1005 . 14 1 1 A 77 77 LYS HA H 77 4.470 4.469 0.001 1
1 1014 . 14 1 1 A 77 77 LYS CA C 77 54.500 54.294 0.206 1
1 1015 . 14 1 1 A 77 77 LYS CB C 77 31.800 31.680 0.120 1
1 1019 . 14 1 1 A 77 77 LYS N N 77 122.900 122.063 0.837 1
1 1020 . 14 1 1 A 78 78 PRO HA H 78 4.190 4.189 0.001 1
1 1027 . 14 1 1 A 78 78 PRO C C 78 176.600 177.296 -0.696 1
1 1028 . 14 1 1 A 78 78 PRO CA C 78 63.700 63.538 0.162 1
1 1029 . 14 1 1 A 78 78 PRO CB C 78 31.900 31.528 0.372 1
1 1032 . 14 1 1 A 79 79 GLY H H 79 8.290 8.634 -0.344 1
1 1033 . 14 1 1 A 79 79 GLY HA2 H 79 4.350 3.941 0.409 1
1 1034 . 14 1 1 A 79 79 GLY HA3 H 79 3.590 4.011 -0.421 1
1 1035 . 14 1 1 A 79 79 GLY C C 79 172.000 173.681 -1.681 1
1 1036 . 14 1 1 A 79 79 GLY CA C 79 45.500 45.386 0.114 1
1 1037 . 14 1 1 A 79 79 GLY N N 79 109.300 111.258 -1.958 1
1 1038 . 14 1 1 A 80 80 ILE H H 80 7.300 7.291 0.009 1
1 1039 . 14 1 1 A 80 80 ILE HA H 80 4.770 4.192 0.578 1
1 1049 . 14 1 1 A 80 80 ILE C C 80 174.200 174.739 -0.539 1
1 1050 . 14 1 1 A 80 80 ILE CA C 80 60.500 60.979 -0.479 1
1 1051 . 14 1 1 A 80 80 ILE CB C 80 37.000 39.129 -2.129 1
1 1055 . 14 1 1 A 80 80 ILE N N 80 119.200 122.879 -3.679 1
1 1056 . 14 1 1 A 81 81 TYR H H 81 9.490 8.777 0.713 1
1 1057 . 14 1 1 A 81 81 TYR HA H 81 4.840 4.924 -0.084 1
1 1064 . 14 1 1 A 81 81 TYR CA C 81 56.800 55.800 1.000 1
1 1065 . 14 1 1 A 81 81 TYR CB C 81 39.800 40.758 -0.958 1
1 1070 . 14 1 1 A 81 81 TYR N N 81 126.100 126.430 -0.330 1
1 1071 . 14 1 1 A 82 82 PRO HA H 82 4.610 4.548 0.062 1
1 1078 . 14 1 1 A 82 82 PRO CA C 82 62.300 62.978 -0.678 1
1 1079 . 14 1 1 A 82 82 PRO CB C 82 32.000 32.091 -0.091 1
1 1082 . 14 1 1 A 83 83 ALA HA H 83 4.140 4.219 -0.079 1
1 1086 . 14 1 1 A 84 84 TYR HA H 84 4.470 4.819 -0.349 1
1 1093 . 14 1 1 A 84 84 TYR CA C 84 57.500 57.778 -0.278 1
1 1094 . 14 1 1 A 84 84 TYR CB C 84 39.500 40.001 -0.501 1
1 1099 . 14 1 1 A 87 87 ASN HA H 87 4.410 4.782 -0.372 1
1 1104 . 14 1 1 A 87 87 ASN C C 87 176.500 176.208 0.292 1
1 1105 . 14 1 1 A 87 87 ASN CA C 87 55.100 53.196 1.904 1
1 1106 . 14 1 1 A 87 87 ASN CB C 87 40.600 40.676 -0.076 1
1 1109 . 14 1 1 A 88 88 LYS H H 88 8.710 8.013 0.697 1
1 1110 . 14 1 1 A 88 88 LYS HA H 88 4.320 4.179 0.141 1
1 1119 . 14 1 1 A 88 88 LYS C C 88 177.600 177.441 0.159 1
1 1120 . 14 1 1 A 88 88 LYS CA C 88 58.100 58.790 -0.690 1
1 1121 . 14 1 1 A 88 88 LYS CB C 88 33.000 32.114 0.886 1
1 1125 . 14 1 1 A 88 88 LYS N N 88 123.800 118.764 5.036 1
1 1126 . 14 1 1 A 89 89 GLU H H 89 8.390 9.081 -0.691 1
1 1127 . 14 1 1 A 89 89 GLU HA H 89 4.270 3.981 0.289 1
1 1132 . 14 1 1 A 89 89 GLU C C 89 176.500 179.403 -2.903 1
1 1133 . 14 1 1 A 89 89 GLU CA C 89 57.800 59.201 -1.401 1
1 1134 . 14 1 1 A 89 89 GLU CB C 89 30.100 29.019 1.081 1
1 1136 . 14 1 1 A 89 89 GLU N N 89 117.000 118.130 -1.130 1
1 1137 . 14 1 1 A 90 90 HIS H H 90 7.600 7.735 -0.135 1
1 1138 . 14 1 1 A 90 90 HIS HA H 90 4.580 4.205 0.375 1
1 1142 . 14 1 1 A 90 90 HIS C C 90 170.800 175.072 -4.272 1
1 1143 . 14 1 1 A 90 90 HIS CA C 90 55.500 58.596 -3.096 1
1 1144 . 14 1 1 A 90 90 HIS CB C 90 32.200 29.397 2.803 1
1 1145 . 14 1 1 A 90 90 HIS N N 90 111.500 117.636 -6.136 1
1 1146 . 14 1 1 A 91 91 TRP H H 91 7.650 7.600 0.050 1
1 1147 . 14 1 1 A 91 91 TRP HA H 91 5.610 5.384 0.226 1
1 1156 . 14 1 1 A 91 91 TRP C C 91 174.600 175.382 -0.782 1
1 1157 . 14 1 1 A 91 91 TRP CA C 91 55.500 55.932 -0.432 1
1 1158 . 14 1 1 A 91 91 TRP CB C 91 31.700 32.461 -0.761 1
1 1163 . 14 1 1 A 91 91 TRP N N 91 117.400 116.476 0.924 1
1 1165 . 14 1 1 A 92 92 ILE H H 92 9.100 9.031 0.069 1
1 1166 . 14 1 1 A 92 92 ILE HA H 92 4.630 4.752 -0.122 1
1 1176 . 14 1 1 A 92 92 ILE C C 92 174.500 174.947 -0.447 1
1 1177 . 14 1 1 A 92 92 ILE CA C 92 59.800 59.839 -0.039 1
1 1178 . 14 1 1 A 92 92 ILE CB C 92 42.500 42.391 0.109 1
1 1182 . 14 1 1 A 92 92 ILE N N 92 111.700 122.573 -10.873 1
1 1183 . 14 1 1 A 93 93 THR H H 93 8.570 8.461 0.109 1
1 1184 . 14 1 1 A 93 93 THR HA H 93 4.250 4.919 -0.669 1
1 1190 . 14 1 1 A 93 93 THR CA C 93 61.800 61.025 0.775 1
1 1191 . 14 1 1 A 93 93 THR CB C 93 70.200 70.140 0.060 1
1 1193 . 14 1 1 A 93 93 THR N N 93 117.600 119.479 -1.879 1
1 1194 . 14 1 1 A 94 94 VAL HA H 94 4.680 4.688 -0.008 1
1 1202 . 14 1 1 A 94 94 VAL C C 94 175.400 174.773 0.627 1
1 1203 . 14 1 1 A 94 94 VAL CA C 94 60.700 60.945 -0.245 1
1 1204 . 14 1 1 A 94 94 VAL CB C 94 34.100 34.332 -0.232 1
1 1207 . 14 1 1 A 95 95 LEU H H 95 8.080 8.627 -0.547 1
1 1208 . 14 1 1 A 95 95 LEU HA H 95 4.330 4.562 -0.232 1
1 1218 . 14 1 1 A 95 95 LEU C C 95 176.400 176.055 0.345 1
1 1219 . 14 1 1 A 95 95 LEU CA C 95 55.000 54.449 0.551 1
1 1220 . 14 1 1 A 95 95 LEU CB C 95 44.300 41.959 2.341 1
1 1224 . 14 1 1 A 95 95 LEU N N 95 127.500 127.782 -0.282 1
1 1225 . 14 1 1 A 96 96 LEU H H 96 8.050 8.199 -0.149 1
1 1226 . 14 1 1 A 96 96 LEU HA H 96 4.150 4.024 0.126 1
1 1236 . 14 1 1 A 96 96 LEU C C 96 177.400 178.719 -1.319 1
1 1237 . 14 1 1 A 96 96 LEU CA C 96 56.500 58.152 -1.652 1
1 1238 . 14 1 1 A 96 96 LEU CB C 96 40.500 41.382 -0.882 1
1 1242 . 14 1 1 A 96 96 LEU N N 96 128.100 127.087 1.013 1
1 1243 . 14 1 1 A 97 97 ASN H H 97 8.690 8.325 0.365 1
1 1244 . 14 1 1 A 97 97 ASN HA H 97 4.740 4.745 -0.005 1
1 1249 . 14 1 1 A 97 97 ASN C C 97 174.900 176.037 -1.137 1
1 1250 . 14 1 1 A 97 97 ASN CA C 97 53.000 54.736 -1.736 1
1 1251 . 14 1 1 A 97 97 ASN CB C 97 37.700 38.357 -0.657 1
1 1252 . 14 1 1 A 97 97 ASN N N 97 117.200 115.911 1.289 1
1 1254 . 14 1 1 A 98 98 GLY H H 98 7.820 7.942 -0.122 1
1 1255 . 14 1 1 A 98 98 GLY HA2 H 98 4.470 4.113 0.357 1
1 1256 . 14 1 1 A 98 98 GLY HA3 H 98 3.740 4.129 -0.389 1
1 1257 . 14 1 1 A 98 98 GLY C C 98 174.900 174.822 0.078 1
1 1258 . 14 1 1 A 98 98 GLY CA C 98 44.900 44.272 0.628 1
1 1259 . 14 1 1 A 98 98 GLY N N 98 108.600 107.990 0.610 1
1 1260 . 14 1 1 A 99 99 PRO HA H 99 4.380 4.583 -0.203 1
1 1267 . 14 1 1 A 99 99 PRO C C 99 177.400 176.275 1.125 1
1 1268 . 14 1 1 A 99 99 PRO CA C 99 63.900 63.589 0.311 1
1 1269 . 14 1 1 A 99 99 PRO CB C 99 32.400 32.614 -0.214 1
1 1272 . 14 1 1 A 100 100 LEU H H 100 7.750 7.465 0.285 1
1 1273 . 14 1 1 A 100 100 LEU HA H 100 4.280 4.344 -0.064 1
1 1283 . 14 1 1 A 100 100 LEU C C 100 177.400 176.973 0.427 1
1 1284 . 14 1 1 A 100 100 LEU CA C 100 55.800 55.101 0.699 1
1 1285 . 14 1 1 A 100 100 LEU CB C 100 42.600 42.214 0.386 1
1 1289 . 14 1 1 A 100 100 LEU N N 100 120.300 121.304 -1.004 1
1 1290 . 14 1 1 A 101 101 GLY H H 101 8.620 8.209 0.411 1
1 1291 . 14 1 1 A 101 101 GLY HA2 H 101 4.110 4.118 -0.008 1
1 1292 . 14 1 1 A 101 101 GLY HA3 H 101 3.890 4.127 -0.237 1
1 1293 . 14 1 1 A 101 101 GLY C C 101 173.600 174.677 -1.077 1
1 1294 . 14 1 1 A 101 101 GLY CA C 101 44.300 44.292 0.008 1
1 1295 . 14 1 1 A 101 101 GLY N N 101 110.600 111.442 -0.842 1
1 1296 . 14 1 1 A 102 102 ALA H H 102 8.310 8.908 -0.598 1
1 1297 . 14 1 1 A 102 102 ALA HA H 102 3.520 3.810 -0.290 1
1 1301 . 14 1 1 A 102 102 ALA C C 102 178.900 179.447 -0.547 1
1 1302 . 14 1 1 A 102 102 ALA CA C 102 55.400 54.516 0.884 1
1 1303 . 14 1 1 A 102 102 ALA CB C 102 18.600 18.113 0.487 1
1 1304 . 14 1 1 A 102 102 ALA N N 102 122.000 122.693 -0.693 1
1 1305 . 14 1 1 A 103 103 LYS H H 103 8.360 7.889 0.471 1
1 1306 . 14 1 1 A 103 103 LYS HA H 103 3.730 3.816 -0.086 1
1 1315 . 14 1 1 A 103 103 LYS C C 103 179.400 179.652 -0.252 1
1 1316 . 14 1 1 A 103 103 LYS CA C 103 60.000 59.391 0.609 1
1 1317 . 14 1 1 A 103 103 LYS CB C 103 31.900 32.025 -0.125 1
1 1321 . 14 1 1 A 103 103 LYS N N 103 116.500 117.541 -1.041 1
1 1322 . 14 1 1 A 104 104 GLU H H 104 7.890 8.013 -0.123 1
1 1323 . 14 1 1 A 104 104 GLU HA H 104 4.080 4.048 0.032 1
1 1328 . 14 1 1 A 104 104 GLU C C 104 179.300 179.594 -0.294 1
1 1329 . 14 1 1 A 104 104 GLU CA C 104 59.500 59.055 0.445 1
1 1330 . 14 1 1 A 104 104 GLU CB C 104 29.100 29.584 -0.484 1
1 1332 . 14 1 1 A 104 104 GLU N N 104 120.000 120.120 -0.120 1
1 1333 . 14 1 1 A 105 105 ILE H H 105 8.170 7.747 0.423 1
1 1334 . 14 1 1 A 105 105 ILE HA H 105 3.520 3.679 -0.159 1
1 1344 . 14 1 1 A 105 105 ILE C C 105 178.100 178.244 -0.144 1
1 1345 . 14 1 1 A 105 105 ILE CA C 105 66.700 65.344 1.356 1
1 1346 . 14 1 1 A 105 105 ILE CB C 105 37.700 37.712 -0.012 1
1 1350 . 14 1 1 A 105 105 ILE N N 105 119.500 120.656 -1.156 1
1 1351 . 14 1 1 A 106 106 HIS H H 106 8.930 8.256 0.674 1
1 1352 . 14 1 1 A 106 106 HIS HA H 106 4.230 4.150 0.080 1
1 1356 . 14 1 1 A 106 106 HIS C C 106 178.000 177.774 0.226 1
1 1357 . 14 1 1 A 106 106 HIS CA C 106 57.600 59.856 -2.256 1
1 1358 . 14 1 1 A 106 106 HIS CB C 106 28.400 29.593 -1.193 1
1 1360 . 14 1 1 A 106 106 HIS N N 106 116.700 120.208 -3.508 1
1 1361 . 14 1 1 A 107 107 SER H H 107 8.060 8.032 0.028 1
1 1362 . 14 1 1 A 107 107 SER HA H 107 4.310 4.117 0.193 1
1 1365 . 14 1 1 A 107 107 SER C C 107 175.900 176.374 -0.474 1
1 1366 . 14 1 1 A 107 107 SER CA C 107 62.200 61.845 0.355 1
1 1367 . 14 1 1 A 107 107 SER CB C 107 62.500 63.041 -0.541 1
1 1368 . 14 1 1 A 107 107 SER N N 107 117.000 115.328 1.672 1
1 1369 . 14 1 1 A 108 108 LEU H H 108 7.950 8.144 -0.194 1
1 1370 . 14 1 1 A 108 108 LEU HA H 108 4.180 3.997 0.183 1
1 1380 . 14 1 1 A 108 108 LEU C C 108 180.600 178.931 1.669 1
1 1381 . 14 1 1 A 108 108 LEU CA C 108 57.900 58.027 -0.127 1
1 1382 . 14 1 1 A 108 108 LEU CB C 108 42.500 41.838 0.662 1
1 1386 . 14 1 1 A 108 108 LEU N N 108 121.800 120.341 1.459 1
1 1387 . 14 1 1 A 109 109 ILE H H 109 8.730 8.330 0.400 1
1 1388 . 14 1 1 A 109 109 ILE HA H 109 3.830 3.536 0.294 1
1 1398 . 14 1 1 A 109 109 ILE C C 109 176.800 178.205 -1.405 1
1 1399 . 14 1 1 A 109 109 ILE CA C 109 65.800 65.573 0.227 1
1 1400 . 14 1 1 A 109 109 ILE CB C 109 38.600 37.394 1.206 1
1 1404 . 14 1 1 A 109 109 ILE N N 109 120.200 119.748 0.452 1
1 1405 . 14 1 1 A 110 110 GLU H H 110 7.960 8.811 -0.851 1
1 1406 . 14 1 1 A 110 110 GLU HA H 110 4.280 3.991 0.289 1
1 1411 . 14 1 1 A 110 110 GLU C C 110 178.500 178.603 -0.103 1
1 1412 . 14 1 1 A 110 110 GLU CA C 110 58.800 60.001 -1.201 1
1 1413 . 14 1 1 A 110 110 GLU CB C 110 28.200 29.379 -1.179 1
1 1415 . 14 1 1 A 110 110 GLU N N 110 120.800 121.219 -0.419 1
1 1416 . 14 1 1 A 111 111 ASP H H 111 8.290 7.954 0.336 1
1 1417 . 14 1 1 A 111 111 ASP HA H 111 4.470 4.458 0.012 1
1 1420 . 14 1 1 A 111 111 ASP C C 111 178.200 178.514 -0.314 1
1 1421 . 14 1 1 A 111 111 ASP CA C 111 57.100 57.106 -0.006 1
1 1422 . 14 1 1 A 111 111 ASP CB C 111 39.300 40.199 -0.899 1
1 1423 . 14 1 1 A 111 111 ASP N N 111 119.200 120.660 -1.460 1
1 1424 . 14 1 1 A 112 112 SER H H 112 7.800 7.920 -0.120 1
1 1425 . 14 1 1 A 112 112 SER HA H 112 4.200 4.309 -0.109 1
1 1428 . 14 1 1 A 112 112 SER C C 112 178.600 176.754 1.846 1
1 1429 . 14 1 1 A 112 112 SER CA C 112 61.200 61.262 -0.062 1
1 1430 . 14 1 1 A 112 112 SER CB C 112 64.200 62.704 1.496 1
1 1431 . 14 1 1 A 112 112 SER N N 112 114.700 115.368 -0.668 1
1 1432 . 14 1 1 A 113 113 PHE H H 113 9.160 8.483 0.677 1
1 1433 . 14 1 1 A 113 113 PHE HA H 113 3.210 4.133 -0.923 1
1 1436 . 14 1 1 A 113 113 PHE C C 113 178.100 177.788 0.312 1
1 1437 . 14 1 1 A 113 113 PHE CA C 113 62.900 61.683 1.217 1
1 1438 . 14 1 1 A 113 113 PHE CB C 113 39.100 39.187 -0.087 1
1 1439 . 14 1 1 A 113 113 PHE N N 113 121.400 123.158 -1.758 1
1 1440 . 14 1 1 A 114 114 GLN H H 114 8.870 8.200 0.670 1
1 1441 . 14 1 1 A 114 114 GLN HA H 114 4.000 3.966 0.034 1
1 1448 . 14 1 1 A 114 114 GLN C C 114 179.700 178.125 1.575 1
1 1449 . 14 1 1 A 114 114 GLN CA C 114 58.300 58.492 -0.192 1
1 1450 . 14 1 1 A 114 114 GLN CB C 114 27.600 27.717 -0.117 1
1 1453 . 14 1 1 A 114 114 GLN N N 114 116.800 117.775 -0.975 1
1 1455 . 14 1 1 A 115 115 LEU H H 115 8.570 7.918 0.652 1
1 1456 . 14 1 1 A 115 115 LEU HA H 115 4.090 4.083 0.007 1
1 1466 . 14 1 1 A 115 115 LEU C C 115 178.600 178.882 -0.282 1
1 1467 . 14 1 1 A 115 115 LEU CA C 115 57.300 57.944 -0.644 1
1 1468 . 14 1 1 A 115 115 LEU CB C 115 43.200 42.176 1.024 1
1 1472 . 14 1 1 A 115 115 LEU N N 115 119.800 122.759 -2.959 1
1 1473 . 14 1 1 A 116 116 THR H H 116 7.240 7.482 -0.242 1
1 1474 . 14 1 1 A 116 116 THR HA H 116 4.270 4.398 -0.128 1
1 1480 . 14 1 1 A 116 116 THR C C 116 173.200 174.506 -1.306 1
1 1481 . 14 1 1 A 116 116 THR CA C 116 60.700 61.795 -1.095 1
1 1482 . 14 1 1 A 116 116 THR CB C 116 70.800 69.308 1.492 1
1 1484 . 14 1 1 A 116 116 THR N N 116 104.900 107.262 -2.362 1
1 1485 . 14 1 1 A 117 117 ARG H H 117 6.840 7.489 -0.649 1
1 1486 . 14 1 1 A 117 117 ARG HA H 117 3.060 3.816 -0.756 1
1 1494 . 14 1 1 A 117 117 ARG C C 117 175.200 176.288 -1.088 1
1 1495 . 14 1 1 A 117 117 ARG CA C 117 55.900 56.356 -0.456 1
1 1496 . 14 1 1 A 117 117 ARG CB C 117 31.100 30.430 0.670 1
1 1500 . 14 1 1 A 117 117 ARG N N 117 120.900 123.938 -3.038 1
1 1502 . 14 1 1 A 118 118 LEU H H 118 8.380 8.333 0.047 1
1 1503 . 14 1 1 A 118 118 LEU HA H 118 4.100 4.174 -0.074 1
1 1513 . 14 1 1 A 118 118 LEU C C 118 176.500 177.002 -0.502 1
1 1514 . 14 1 1 A 118 118 LEU CA C 118 55.300 55.018 0.282 1
1 1515 . 14 1 1 A 118 118 LEU CB C 118 42.400 41.785 0.615 1
1 1519 . 14 1 1 A 118 118 LEU N N 118 122.600 125.213 -2.613 1
1 1520 . 14 1 1 A 119 119 GLU H H 119 8.330 8.647 -0.317 1
1 1521 . 14 1 1 A 119 119 GLU HA H 119 4.160 4.452 -0.292 1
1 1526 . 14 1 1 A 119 119 GLU C C 119 175.800 175.461 0.339 1
1 1527 . 14 1 1 A 119 119 GLU CA C 119 56.000 56.444 -0.444 1
1 1528 . 14 1 1 A 119 119 GLU CB C 119 30.300 30.103 0.197 1
1 1530 . 14 1 1 A 119 119 GLU N N 119 124.000 122.199 1.801 1
1 1531 . 14 1 1 A 120 120 HIS H H 120 8.520 7.019 1.501 1
1 1532 . 14 1 1 A 120 120 HIS HA H 120 4.620 4.921 -0.301 1
1 1535 . 14 1 1 A 120 120 HIS C C 120 174.000 172.936 1.064 1
1 1536 . 14 1 1 A 120 120 HIS CA C 120 55.300 54.363 0.937 1
1 1537 . 14 1 1 A 120 120 HIS CB C 120 29.300 31.844 -2.544 1
1 1538 . 14 1 1 A 120 120 HIS N N 120 120.100 115.820 4.280 1
1 1539 . 14 1 1 A 121 121 HIS H H 121 8.580 8.763 -0.183 1
1 1540 . 14 1 1 A 121 121 HIS HA H 121 4.620 4.696 -0.076 1
1 1543 . 14 1 1 A 121 121 HIS C C 121 173.500 177.096 -3.596 1
1 1544 . 14 1 1 A 121 121 HIS CA C 121 55.300 56.262 -0.962 1
1 1545 . 14 1 1 A 121 121 HIS CB C 121 29.200 30.817 -1.617 1
1 1546 . 14 1 1 A 121 121 HIS N N 121 120.800 118.963 1.837 1
1 1547 . 14 1 1 A 122 122 HIS H H 122 8.400 9.033 -0.633 1
1 1548 . 14 1 1 A 122 122 HIS HA H 122 4.620 4.354 0.266 1
1 1551 . 14 1 1 A 122 122 HIS CA C 122 55.300 59.263 -3.963 1
1 1552 . 14 1 1 A 122 122 HIS CB C 122 29.200 29.552 -0.352 1
1 1553 . 14 1 1 A 122 122 HIS N N 122 125.700 122.313 3.387 1
1 1554 . 14 1 1 A 123 123 HIS H H 123 8.690 7.920 0.770 1
1 1555 . 14 1 1 A 123 123 HIS HA H 123 4.640 4.594 0.046 1
1 1558 . 14 1 1 A 123 123 HIS C C 123 174.100 174.694 -0.594 1
1 1559 . 14 1 1 A 123 123 HIS CA C 123 55.300 56.250 -0.950 1
1 1560 . 14 1 1 A 123 123 HIS CB C 123 29.300 30.539 -1.239 1
1 1561 . 14 1 1 A 123 123 HIS N N 123 120.200 119.372 0.828 1
1 1562 . 14 1 1 A 124 124 HIS H H 124 8.710 8.628 0.082 1
1 1563 . 14 1 1 A 124 124 HIS HA H 124 4.640 4.655 -0.015 1
1 1566 . 14 1 1 A 124 124 HIS C C 124 174.200 174.481 -0.281 1
1 1567 . 14 1 1 A 124 124 HIS CA C 124 55.300 56.726 -1.426 1
1 1568 . 14 1 1 A 124 124 HIS CB C 124 29.300 30.823 -1.523 1
1 14 . 15 1 1 A 2 2 ASN H H 2 8.500 8.818 -0.318 1
1 15 . 15 1 1 A 2 2 ASN HA H 2 4.990 5.127 -0.137 1
1 20 . 15 1 1 A 2 2 ASN C C 2 175.600 176.851 -1.251 1
1 21 . 15 1 1 A 2 2 ASN CA C 2 51.000 52.054 -1.054 1
1 22 . 15 1 1 A 2 2 ASN CB C 2 40.000 40.688 -0.688 1
1 24 . 15 1 1 A 2 2 ASN N N 2 122.000 121.938 0.062 1
1 26 . 15 1 1 A 3 3 ARG H H 3 8.950 9.092 -0.142 1
1 27 . 15 1 1 A 3 3 ARG HA H 3 3.850 3.986 -0.136 1
1 35 . 15 1 1 A 3 3 ARG C C 3 175.600 177.684 -2.084 1
1 36 . 15 1 1 A 3 3 ARG CA C 3 60.400 59.746 0.654 1
1 37 . 15 1 1 A 3 3 ARG CB C 3 30.900 30.001 0.899 1
1 41 . 15 1 1 A 3 3 ARG N N 3 117.600 123.782 -6.182 1
1 43 . 15 1 1 A 4 4 GLN H H 4 8.370 8.108 0.262 1
1 44 . 15 1 1 A 4 4 GLN HA H 4 3.900 4.141 -0.241 1
1 51 . 15 1 1 A 4 4 GLN C C 4 178.300 178.339 -0.039 1
1 52 . 15 1 1 A 4 4 GLN CA C 4 58.900 59.312 -0.412 1
1 53 . 15 1 1 A 4 4 GLN CB C 4 28.200 28.366 -0.166 1
1 56 . 15 1 1 A 4 4 GLN N N 4 120.700 118.576 2.124 1
1 58 . 15 1 1 A 5 5 GLN H H 5 8.670 8.147 0.523 1
1 59 . 15 1 1 A 5 5 GLN HA H 5 4.190 4.133 0.057 1
1 66 . 15 1 1 A 5 5 GLN C C 5 180.000 178.487 1.513 1
1 67 . 15 1 1 A 5 5 GLN CA C 5 58.500 58.994 -0.494 1
1 68 . 15 1 1 A 5 5 GLN CB C 5 28.900 28.349 0.551 1
1 71 . 15 1 1 A 5 5 GLN N N 5 117.700 118.581 -0.881 1
1 73 . 15 1 1 A 6 6 PHE H H 6 8.270 8.093 0.177 1
1 74 . 15 1 1 A 6 6 PHE HA H 6 4.130 4.238 -0.108 1
1 82 . 15 1 1 A 6 6 PHE C C 6 175.500 177.323 -1.823 1
1 83 . 15 1 1 A 6 6 PHE CA C 6 62.700 61.211 1.489 1
1 84 . 15 1 1 A 6 6 PHE CB C 6 39.000 39.292 -0.292 1
1 90 . 15 1 1 A 6 6 PHE N N 6 121.200 120.398 0.802 1
1 91 . 15 1 1 A 7 7 ILE H H 7 8.390 8.286 0.104 1
1 92 . 15 1 1 A 7 7 ILE HA H 7 3.280 3.517 -0.237 1
1 102 . 15 1 1 A 7 7 ILE C C 7 178.900 177.805 1.095 1
1 103 . 15 1 1 A 7 7 ILE CA C 7 66.400 65.475 0.925 1
1 104 . 15 1 1 A 7 7 ILE CB C 7 38.500 38.044 0.456 1
1 108 . 15 1 1 A 7 7 ILE N N 7 121.000 120.916 0.084 1
1 109 . 15 1 1 A 8 8 ASP H H 8 8.710 8.354 0.356 1
1 110 . 15 1 1 A 8 8 ASP HA H 8 4.370 4.324 0.046 1
1 113 . 15 1 1 A 8 8 ASP C C 8 178.000 177.797 0.203 1
1 114 . 15 1 1 A 8 8 ASP CA C 8 57.300 57.359 -0.059 1
1 115 . 15 1 1 A 8 8 ASP CB C 8 40.600 41.443 -0.843 1
1 116 . 15 1 1 A 8 8 ASP N N 8 119.800 120.490 -0.690 1
1 117 . 15 1 1 A 9 9 TYR H H 9 8.060 8.627 -0.567 1
1 118 . 15 1 1 A 9 9 TYR HA H 9 4.000 4.114 -0.114 1
1 125 . 15 1 1 A 9 9 TYR C C 9 176.500 177.545 -1.045 1
1 126 . 15 1 1 A 9 9 TYR CA C 9 61.700 62.204 -0.504 1
1 127 . 15 1 1 A 9 9 TYR CB C 9 38.600 38.454 0.146 1
1 132 . 15 1 1 A 9 9 TYR N N 9 121.600 120.772 0.828 1
1 133 . 15 1 1 A 10 10 ALA H H 10 8.340 8.392 -0.052 1
1 134 . 15 1 1 A 10 10 ALA HA H 10 3.730 3.835 -0.105 1
1 138 . 15 1 1 A 10 10 ALA C C 10 180.200 179.872 0.328 1
1 139 . 15 1 1 A 10 10 ALA CA C 10 55.200 55.384 -0.184 1
1 140 . 15 1 1 A 10 10 ALA CB C 10 17.300 17.697 -0.397 1
1 141 . 15 1 1 A 10 10 ALA N N 10 120.700 122.118 -1.418 1
1 142 . 15 1 1 A 11 11 GLN H H 11 7.830 7.965 -0.135 1
1 143 . 15 1 1 A 11 11 GLN HA H 11 4.130 4.020 0.110 1
1 150 . 15 1 1 A 11 11 GLN C C 11 178.300 178.502 -0.202 1
1 151 . 15 1 1 A 11 11 GLN CA C 11 59.200 58.881 0.319 1
1 152 . 15 1 1 A 11 11 GLN CB C 11 28.600 28.504 0.096 1
1 155 . 15 1 1 A 11 11 GLN N N 11 116.600 117.765 -1.165 1
1 157 . 15 1 1 A 12 12 LYS H H 12 8.040 7.873 0.167 1
1 158 . 15 1 1 A 12 12 LYS HA H 12 3.890 3.900 -0.010 1
1 167 . 15 1 1 A 12 12 LYS C C 12 178.200 177.972 0.228 1
1 168 . 15 1 1 A 12 12 LYS CA C 12 58.800 58.947 -0.147 1
1 169 . 15 1 1 A 12 12 LYS CB C 12 32.700 31.943 0.757 1
1 173 . 15 1 1 A 12 12 LYS N N 12 119.300 120.690 -1.390 1
1 174 . 15 1 1 A 13 13 LYS H H 13 8.440 7.476 0.964 1
1 175 . 15 1 1 A 13 13 LYS HA H 13 3.610 3.588 0.022 1
1 184 . 15 1 1 A 13 13 LYS C C 13 177.600 177.134 0.466 1
1 185 . 15 1 1 A 13 13 LYS CA C 13 56.900 57.935 -1.035 1
1 186 . 15 1 1 A 13 13 LYS CB C 13 32.000 32.139 -0.139 1
1 190 . 15 1 1 A 13 13 LYS N N 13 117.700 118.824 -1.124 1
1 191 . 15 1 1 A 14 14 TYR H H 14 6.780 8.102 -1.322 1
1 192 . 15 1 1 A 14 14 TYR HA H 14 4.530 4.298 0.232 1
1 199 . 15 1 1 A 14 14 TYR C C 14 175.800 174.438 1.362 1
1 200 . 15 1 1 A 14 14 TYR CA C 14 56.600 57.167 -0.567 1
1 201 . 15 1 1 A 14 14 TYR CB C 14 39.500 38.401 1.099 1
1 206 . 15 1 1 A 14 14 TYR N N 14 113.100 113.870 -0.770 1
1 207 . 15 1 1 A 15 15 ASP H H 15 7.620 8.485 -0.865 1
1 208 . 15 1 1 A 15 15 ASP HA H 15 4.810 4.547 0.263 1
1 211 . 15 1 1 A 15 15 ASP C C 15 175.200 174.938 0.262 1
1 212 . 15 1 1 A 15 15 ASP CA C 15 55.100 54.921 0.179 1
1 213 . 15 1 1 A 15 15 ASP CB C 15 39.300 38.527 0.773 1
1 214 . 15 1 1 A 15 15 ASP N N 15 119.600 118.120 1.480 1
1 215 . 15 1 1 A 16 16 THR H H 16 7.560 7.786 -0.226 1
1 216 . 15 1 1 A 16 16 THR HA H 16 4.650 4.642 0.008 1
1 222 . 15 1 1 A 16 16 THR C C 16 173.200 174.400 -1.200 1
1 223 . 15 1 1 A 16 16 THR CA C 16 61.500 61.788 -0.288 1
1 224 . 15 1 1 A 16 16 THR CB C 16 71.000 70.512 0.488 1
1 226 . 15 1 1 A 16 16 THR N N 16 113.100 114.585 -1.485 1
1 227 . 15 1 1 A 17 17 LYS H H 17 8.830 8.546 0.284 1
1 228 . 15 1 1 A 17 17 LYS HA H 17 4.690 4.906 -0.216 1
1 235 . 15 1 1 A 17 17 LYS C C 17 173.200 175.318 -2.118 1
1 236 . 15 1 1 A 17 17 LYS CA C 17 53.600 54.468 -0.868 1
1 237 . 15 1 1 A 17 17 LYS CB C 17 32.800 32.810 -0.010 1
1 241 . 15 1 1 A 17 17 LYS N N 17 127.200 125.490 1.710 1
1 242 . 15 1 1 A 18 18 PRO HA H 18 3.540 3.686 -0.146 1
1 249 . 15 1 1 A 18 18 PRO C C 18 175.800 175.426 0.374 1
1 250 . 15 1 1 A 18 18 PRO CA C 18 62.000 63.072 -1.072 1
1 251 . 15 1 1 A 18 18 PRO CB C 18 32.200 32.099 0.101 1
1 254 . 15 1 1 A 19 19 ASP H H 19 8.310 7.739 0.571 1
1 255 . 15 1 1 A 19 19 ASP HA H 19 4.740 5.293 -0.553 1
1 258 . 15 1 1 A 19 19 ASP C C 19 175.100 175.005 0.095 1
1 259 . 15 1 1 A 19 19 ASP CA C 19 52.300 52.558 -0.258 1
1 260 . 15 1 1 A 19 19 ASP CB C 19 43.700 44.055 -0.355 1
1 261 . 15 1 1 A 19 19 ASP N N 19 120.300 120.992 -0.692 1
1 262 . 15 1 1 A 20 20 HIS H H 20 8.620 8.856 -0.236 1
1 263 . 15 1 1 A 20 20 HIS HA H 20 5.170 5.246 -0.076 1
1 266 . 15 1 1 A 20 20 HIS CA C 20 53.200 53.098 0.102 1
1 267 . 15 1 1 A 20 20 HIS CB C 20 28.800 30.141 -1.341 1
1 268 . 15 1 1 A 20 20 HIS N N 20 118.800 120.702 -1.902 1
1 269 . 15 1 1 A 21 21 PRO HA H 21 4.190 4.220 -0.030 1
1 276 . 15 1 1 A 21 21 PRO C C 21 176.600 176.353 0.247 1
1 277 . 15 1 1 A 21 21 PRO CA C 21 63.900 65.160 -1.260 1
1 278 . 15 1 1 A 21 21 PRO CB C 21 32.100 31.163 0.937 1
1 281 . 15 1 1 A 22 22 TRP H H 22 8.340 7.743 0.597 1
1 282 . 15 1 1 A 22 22 TRP HA H 22 5.000 4.805 0.195 1
1 291 . 15 1 1 A 22 22 TRP C C 22 174.200 176.906 -2.706 1
1 292 . 15 1 1 A 22 22 TRP CA C 22 57.100 57.365 -0.265 1
1 293 . 15 1 1 A 22 22 TRP CB C 22 29.400 30.683 -1.283 1
1 299 . 15 1 1 A 22 22 TRP N N 22 118.700 118.490 0.210 1
1 301 . 15 1 1 A 23 23 GLU H H 23 9.030 8.951 0.079 1
1 302 . 15 1 1 A 23 23 GLU HA H 23 4.000 4.252 -0.252 1
1 307 . 15 1 1 A 23 23 GLU C C 23 177.900 177.200 0.700 1
1 308 . 15 1 1 A 23 23 GLU CA C 23 59.100 58.155 0.945 1
1 309 . 15 1 1 A 23 23 GLU CB C 23 29.200 29.311 -0.111 1
1 311 . 15 1 1 A 23 23 GLU N N 23 128.400 122.744 5.656 1
1 312 . 15 1 1 A 24 24 LYS H H 24 8.500 7.935 0.565 1
1 313 . 15 1 1 A 24 24 LYS HA H 24 3.890 4.069 -0.179 1
1 322 . 15 1 1 A 24 24 LYS C C 24 175.300 176.639 -1.339 1
1 323 . 15 1 1 A 24 24 LYS CA C 24 57.100 57.700 -0.600 1
1 324 . 15 1 1 A 24 24 LYS CB C 24 32.300 31.912 0.388 1
1 328 . 15 1 1 A 24 24 LYS N N 24 115.100 118.031 -2.931 1
1 329 . 15 1 1 A 25 25 PHE H H 25 7.010 7.862 -0.852 1
1 330 . 15 1 1 A 25 25 PHE HA H 25 4.740 5.264 -0.524 1
1 338 . 15 1 1 A 25 25 PHE C C 25 175.300 174.624 0.676 1
1 339 . 15 1 1 A 25 25 PHE CA C 25 54.300 54.569 -0.269 1
1 340 . 15 1 1 A 25 25 PHE CB C 25 39.200 38.091 1.109 1
1 346 . 15 1 1 A 25 25 PHE N N 25 115.100 117.383 -2.283 1
1 347 . 15 1 1 A 26 26 PRO HA H 26 4.380 4.841 -0.461 1
1 354 . 15 1 1 A 26 26 PRO C C 26 176.900 177.307 -0.407 1
1 355 . 15 1 1 A 26 26 PRO CA C 26 64.900 65.188 -0.288 1
1 356 . 15 1 1 A 26 26 PRO CB C 26 32.200 31.944 0.256 1
1 359 . 15 1 1 A 27 27 ASP H H 27 8.860 8.952 -0.092 1
1 360 . 15 1 1 A 27 27 ASP HA H 27 4.810 4.708 0.102 1
1 363 . 15 1 1 A 27 27 ASP C C 27 177.200 175.673 1.527 1
1 364 . 15 1 1 A 27 27 ASP CA C 27 53.900 55.186 -1.286 1
1 365 . 15 1 1 A 27 27 ASP CB C 27 39.900 41.303 -1.403 1
1 366 . 15 1 1 A 27 27 ASP N N 27 114.400 118.063 -3.663 1
1 367 . 15 1 1 A 28 28 TYR H H 28 8.300 8.060 0.240 1
1 368 . 15 1 1 A 28 28 TYR HA H 28 5.500 5.188 0.312 1
1 375 . 15 1 1 A 28 28 TYR C C 28 175.900 175.750 0.150 1
1 376 . 15 1 1 A 28 28 TYR CA C 28 55.600 57.312 -1.712 1
1 377 . 15 1 1 A 28 28 TYR CB C 28 36.400 40.581 -4.181 1
1 382 . 15 1 1 A 28 28 TYR N N 28 123.700 119.270 4.430 1
1 383 . 15 1 1 A 29 29 ALA H H 29 9.240 8.947 0.293 1
1 384 . 15 1 1 A 29 29 ALA HA H 29 5.030 4.726 0.304 1
1 388 . 15 1 1 A 29 29 ALA C C 29 174.600 175.418 -0.818 1
1 389 . 15 1 1 A 29 29 ALA CA C 29 49.700 50.187 -0.487 1
1 390 . 15 1 1 A 29 29 ALA CB C 29 22.800 22.014 0.786 1
1 391 . 15 1 1 A 29 29 ALA N N 29 126.000 125.200 0.800 1
1 392 . 15 1 1 A 30 30 VAL H H 30 8.530 8.705 -0.175 1
1 393 . 15 1 1 A 30 30 VAL HA H 30 4.250 4.726 -0.476 1
1 401 . 15 1 1 A 30 30 VAL C C 30 173.400 174.768 -1.368 1
1 402 . 15 1 1 A 30 30 VAL CA C 30 60.300 61.250 -0.950 1
1 403 . 15 1 1 A 30 30 VAL CB C 30 34.100 33.291 0.809 1
1 406 . 15 1 1 A 30 30 VAL N N 30 119.700 122.256 -2.556 1
1 407 . 15 1 1 A 31 31 PHE H H 31 8.040 9.240 -1.200 1
1 408 . 15 1 1 A 31 31 PHE HA H 31 4.250 5.279 -1.029 1
1 416 . 15 1 1 A 31 31 PHE C C 31 173.200 175.209 -2.009 1
1 417 . 15 1 1 A 31 31 PHE CA C 31 56.700 56.461 0.239 1
1 418 . 15 1 1 A 31 31 PHE CB C 31 38.500 41.334 -2.834 1
1 424 . 15 1 1 A 31 31 PHE N N 31 124.100 126.363 -2.263 1
1 425 . 15 1 1 A 32 32 ARG H H 32 8.720 9.031 -0.311 1
1 426 . 15 1 1 A 32 32 ARG HA H 32 5.320 5.151 0.169 1
1 434 . 15 1 1 A 32 32 ARG C C 32 176.400 174.105 2.295 1
1 435 . 15 1 1 A 32 32 ARG CA C 32 53.400 54.628 -1.228 1
1 436 . 15 1 1 A 32 32 ARG CB C 32 34.200 33.969 0.231 1
1 440 . 15 1 1 A 32 32 ARG N N 32 122.300 120.779 1.521 1
1 442 . 15 1 1 A 33 33 HIS H H 33 8.560 8.665 -0.105 1
1 443 . 15 1 1 A 33 33 HIS HA H 33 4.710 4.993 -0.283 1
1 446 . 15 1 1 A 33 33 HIS C C 33 176.400 176.058 0.342 1
1 447 . 15 1 1 A 33 33 HIS CA C 33 56.500 54.932 1.568 1
1 448 . 15 1 1 A 33 33 HIS CB C 33 28.900 31.078 -2.178 1
1 449 . 15 1 1 A 33 33 HIS N N 33 119.800 123.529 -3.729 1
1 450 . 15 1 1 A 34 34 SER H H 34 9.160 9.296 -0.136 1
1 451 . 15 1 1 A 34 34 SER HA H 34 4.390 4.336 0.054 1
1 454 . 15 1 1 A 34 34 SER C C 34 174.900 176.363 -1.463 1
1 455 . 15 1 1 A 34 34 SER CA C 34 60.400 60.544 -0.144 1
1 456 . 15 1 1 A 34 34 SER CB C 34 63.200 63.276 -0.076 1
1 457 . 15 1 1 A 34 34 SER N N 34 118.700 123.197 -4.497 1
1 458 . 15 1 1 A 35 35 ASP H H 35 8.660 7.499 1.161 1
1 459 . 15 1 1 A 35 35 ASP HA H 35 4.570 4.189 0.381 1
1 462 . 15 1 1 A 35 35 ASP C C 35 177.000 177.042 -0.042 1
1 463 . 15 1 1 A 35 35 ASP CA C 35 54.300 57.410 -3.110 1
1 464 . 15 1 1 A 35 35 ASP CB C 35 39.700 40.868 -1.168 1
1 465 . 15 1 1 A 35 35 ASP N N 35 118.200 123.168 -4.968 1
1 466 . 15 1 1 A 36 36 ASN H H 36 7.900 7.709 0.191 1
1 467 . 15 1 1 A 36 36 ASN HA H 36 4.660 4.740 -0.080 1
1 472 . 15 1 1 A 36 36 ASN C C 36 175.100 175.695 -0.595 1
1 473 . 15 1 1 A 36 36 ASN CA C 36 52.000 51.861 0.139 1
1 474 . 15 1 1 A 36 36 ASN CB C 36 38.900 40.079 -1.179 1
1 476 . 15 1 1 A 36 36 ASN N N 36 116.200 112.885 3.315 1
1 478 . 15 1 1 A 37 37 ASP H H 37 7.890 8.055 -0.165 1
1 479 . 15 1 1 A 37 37 ASP HA H 37 4.670 4.368 0.302 1
1 482 . 15 1 1 A 37 37 ASP C C 37 175.800 176.355 -0.555 1
1 483 . 15 1 1 A 37 37 ASP CA C 37 55.800 55.393 0.407 1
1 484 . 15 1 1 A 37 37 ASP CB C 37 40.500 40.510 -0.010 1
1 485 . 15 1 1 A 37 37 ASP N N 37 115.300 119.058 -3.758 1
1 486 . 15 1 1 A 38 38 LYS H H 38 8.310 8.373 -0.063 1
1 487 . 15 1 1 A 38 38 LYS HA H 38 4.390 4.461 -0.071 1
1 496 . 15 1 1 A 38 38 LYS C C 38 175.300 176.860 -1.560 1
1 497 . 15 1 1 A 38 38 LYS CA C 38 56.700 56.339 0.361 1
1 498 . 15 1 1 A 38 38 LYS CB C 38 32.500 33.428 -0.928 1
1 502 . 15 1 1 A 38 38 LYS N N 38 119.300 117.227 2.073 1
1 503 . 15 1 1 A 39 39 TRP HA H 39 5.000 5.063 -0.063 1
1 512 . 15 1 1 A 39 39 TRP C C 39 176.100 174.293 1.807 1
1 513 . 15 1 1 A 39 39 TRP CA C 39 55.700 56.052 -0.352 1
1 514 . 15 1 1 A 39 39 TRP CB C 39 30.300 29.957 0.343 1
1 521 . 15 1 1 A 40 40 TYR H H 40 9.270 8.916 0.354 1
1 522 . 15 1 1 A 40 40 TYR HA H 40 5.280 4.949 0.331 1
1 525 . 15 1 1 A 40 40 TYR C C 40 175.400 174.548 0.852 1
1 526 . 15 1 1 A 40 40 TYR CA C 40 55.700 56.077 -0.377 1
1 527 . 15 1 1 A 40 40 TYR CB C 40 40.300 40.555 -0.255 1
1 528 . 15 1 1 A 40 40 TYR N N 40 114.000 127.020 -13.020 1
1 529 . 15 1 1 A 41 41 ALA H H 41 7.760 8.339 -0.579 1
1 530 . 15 1 1 A 41 41 ALA HA H 41 5.580 5.083 0.497 1
1 534 . 15 1 1 A 41 41 ALA C C 41 177.300 175.210 2.090 1
1 535 . 15 1 1 A 41 41 ALA CA C 41 52.900 51.447 1.453 1
1 536 . 15 1 1 A 41 41 ALA CB C 41 21.900 21.869 0.031 1
1 537 . 15 1 1 A 41 41 ALA N N 41 121.500 123.277 -1.777 1
1 538 . 15 1 1 A 42 42 LEU H H 42 8.300 9.131 -0.831 1
1 539 . 15 1 1 A 42 42 LEU HA H 42 5.200 5.372 -0.172 1
1 549 . 15 1 1 A 42 42 LEU C C 42 173.300 173.942 -0.642 1
1 550 . 15 1 1 A 42 42 LEU CA C 42 54.100 53.428 0.672 1
1 551 . 15 1 1 A 42 42 LEU CB C 42 45.900 45.644 0.256 1
1 555 . 15 1 1 A 42 42 LEU N N 42 123.700 124.781 -1.081 1
1 556 . 15 1 1 A 43 43 LEU H H 43 9.700 9.210 0.490 1
1 557 . 15 1 1 A 43 43 LEU HA H 43 5.250 5.458 -0.208 1
1 567 . 15 1 1 A 43 43 LEU C C 43 173.300 175.128 -1.828 1
1 568 . 15 1 1 A 43 43 LEU CA C 43 54.000 53.365 0.635 1
1 569 . 15 1 1 A 43 43 LEU CB C 43 46.000 46.162 -0.162 1
1 573 . 15 1 1 A 43 43 LEU N N 43 130.400 128.127 2.273 1
1 574 . 15 1 1 A 44 44 MET H H 44 8.800 8.546 0.254 1
1 575 . 15 1 1 A 44 44 MET HA H 44 4.420 4.902 -0.482 1
1 583 . 15 1 1 A 44 44 MET C C 44 172.500 173.142 -0.642 1
1 584 . 15 1 1 A 44 44 MET CA C 44 55.000 53.931 1.069 1
1 585 . 15 1 1 A 44 44 MET CB C 44 39.100 35.619 3.481 1
1 588 . 15 1 1 A 44 44 MET N N 44 122.800 122.901 -0.101 1
1 589 . 15 1 1 A 45 45 ASP H H 45 7.960 8.245 -0.285 1
1 590 . 15 1 1 A 45 45 ASP HA H 45 5.490 5.199 0.291 1
1 593 . 15 1 1 A 45 45 ASP C C 45 175.200 175.435 -0.235 1
1 594 . 15 1 1 A 45 45 ASP CA C 45 51.900 53.380 -1.480 1
1 595 . 15 1 1 A 45 45 ASP CB C 45 40.800 41.624 -0.824 1
1 596 . 15 1 1 A 45 45 ASP N N 45 119.400 119.181 0.219 1
1 597 . 15 1 1 A 46 46 ILE H H 46 8.800 8.313 0.487 1
1 598 . 15 1 1 A 46 46 ILE HA H 46 4.870 4.885 -0.015 1
1 608 . 15 1 1 A 46 46 ILE CA C 46 57.700 56.954 0.746 1
1 609 . 15 1 1 A 46 46 ILE CB C 46 40.100 40.475 -0.375 1
1 613 . 15 1 1 A 46 46 ILE N N 46 117.400 118.003 -0.603 1
1 614 . 15 1 1 A 47 47 PRO HA H 47 4.420 4.741 -0.321 1
1 621 . 15 1 1 A 47 47 PRO C C 47 177.800 177.327 0.473 1
1 622 . 15 1 1 A 47 47 PRO CA C 47 63.000 62.796 0.204 1
1 623 . 15 1 1 A 47 47 PRO CB C 47 31.900 32.854 -0.954 1
1 626 . 15 1 1 A 48 48 ALA H H 48 8.550 9.033 -0.483 1
1 627 . 15 1 1 A 48 48 ALA HA H 48 3.550 3.963 -0.413 1
1 631 . 15 1 1 A 48 48 ALA C C 48 179.200 179.606 -0.406 1
1 632 . 15 1 1 A 48 48 ALA CA C 48 55.200 54.855 0.345 1
1 633 . 15 1 1 A 48 48 ALA CB C 48 17.700 18.016 -0.316 1
1 634 . 15 1 1 A 48 48 ALA N N 48 130.100 126.659 3.441 1
1 635 . 15 1 1 A 49 49 GLU H H 49 8.700 8.113 0.587 1
1 636 . 15 1 1 A 49 49 GLU HA H 49 4.180 4.334 -0.154 1
1 641 . 15 1 1 A 49 49 GLU C C 49 179.800 177.402 2.398 1
1 642 . 15 1 1 A 49 49 GLU CA C 49 58.200 58.221 -0.021 1
1 643 . 15 1 1 A 49 49 GLU CB C 49 28.200 27.821 0.379 1
1 645 . 15 1 1 A 49 49 GLU N N 49 114.900 115.985 -1.085 1
1 646 . 15 1 1 A 50 50 LYS H H 50 7.910 7.909 0.001 1
1 647 . 15 1 1 A 50 50 LYS HA H 50 4.060 4.065 -0.005 1
1 656 . 15 1 1 A 50 50 LYS C C 50 178.100 177.809 0.291 1
1 657 . 15 1 1 A 50 50 LYS CA C 50 56.900 57.392 -0.492 1
1 658 . 15 1 1 A 50 50 LYS CB C 50 31.700 32.411 -0.711 1
1 662 . 15 1 1 A 50 50 LYS N N 50 118.100 118.040 0.060 1
1 663 . 15 1 1 A 51 51 ILE H H 51 7.190 7.281 -0.091 1
1 664 . 15 1 1 A 51 51 ILE HA H 51 4.490 4.346 0.144 1
1 674 . 15 1 1 A 51 51 ILE C C 51 175.300 176.661 -1.361 1
1 675 . 15 1 1 A 51 51 ILE CA C 51 60.100 60.138 -0.038 1
1 676 . 15 1 1 A 51 51 ILE CB C 51 37.400 37.437 -0.037 1
1 680 . 15 1 1 A 51 51 ILE N N 51 109.000 112.196 -3.196 1
1 681 . 15 1 1 A 52 52 GLY H H 52 7.370 8.085 -0.715 1
1 682 . 15 1 1 A 52 52 GLY HA2 H 52 4.050 3.969 0.081 1
1 683 . 15 1 1 A 52 52 GLY HA3 H 52 3.730 4.016 -0.286 1
1 684 . 15 1 1 A 52 52 GLY C C 52 174.200 174.065 0.135 1
1 685 . 15 1 1 A 52 52 GLY CA C 52 46.100 45.152 0.948 1
1 686 . 15 1 1 A 52 52 GLY N N 52 106.900 110.235 -3.335 1
1 687 . 15 1 1 A 53 53 ILE H H 53 7.260 7.203 0.057 1
1 688 . 15 1 1 A 53 53 ILE HA H 53 4.040 4.058 -0.018 1
1 698 . 15 1 1 A 53 53 ILE C C 53 174.700 175.520 -0.820 1
1 699 . 15 1 1 A 53 53 ILE CA C 53 60.500 60.557 -0.057 1
1 700 . 15 1 1 A 53 53 ILE CB C 53 38.700 37.553 1.147 1
1 704 . 15 1 1 A 53 53 ILE N N 53 121.900 122.786 -0.886 1
1 705 . 15 1 1 A 54 54 ASN H H 54 8.280 8.815 -0.535 1
1 706 . 15 1 1 A 54 54 ASN HA H 54 4.540 4.838 -0.298 1
1 711 . 15 1 1 A 54 54 ASN C C 54 175.400 174.250 1.150 1
1 712 . 15 1 1 A 54 54 ASN CA C 54 53.700 52.622 1.078 1
1 713 . 15 1 1 A 54 54 ASN CB C 54 39.000 38.432 0.568 1
1 715 . 15 1 1 A 54 54 ASN N N 54 123.300 126.545 -3.245 1
1 717 . 15 1 1 A 55 55 GLY H H 55 8.240 7.749 0.491 1
1 718 . 15 1 1 A 55 55 GLY HA2 H 55 4.230 4.117 0.113 1
1 719 . 15 1 1 A 55 55 GLY HA3 H 55 3.740 4.121 -0.381 1
1 720 . 15 1 1 A 55 55 GLY C C 55 173.200 173.366 -0.166 1
1 721 . 15 1 1 A 55 55 GLY CA C 55 44.800 45.962 -1.162 1
1 722 . 15 1 1 A 55 55 GLY N N 55 110.200 112.012 -1.812 1
1 723 . 15 1 1 A 56 56 ASP H H 56 8.320 8.727 -0.407 1
1 724 . 15 1 1 A 56 56 ASP HA H 56 4.700 4.673 0.027 1
1 727 . 15 1 1 A 56 56 ASP C C 56 175.800 176.348 -0.548 1
1 728 . 15 1 1 A 56 56 ASP CA C 56 53.400 53.544 -0.144 1
1 729 . 15 1 1 A 56 56 ASP CB C 56 40.500 40.569 -0.069 1
1 730 . 15 1 1 A 56 56 ASP N N 56 119.000 121.346 -2.346 1
1 731 . 15 1 1 A 57 57 LYS H H 57 7.780 7.556 0.224 1
1 732 . 15 1 1 A 57 57 LYS HA H 57 4.400 4.267 0.133 1
1 741 . 15 1 1 A 57 57 LYS C C 57 175.700 175.847 -0.147 1
1 742 . 15 1 1 A 57 57 LYS CA C 57 55.600 56.639 -1.039 1
1 743 . 15 1 1 A 57 57 LYS CB C 57 33.700 33.225 0.475 1
1 747 . 15 1 1 A 57 57 LYS N N 57 119.500 120.362 -0.862 1
1 748 . 15 1 1 A 58 58 ARG H H 58 8.410 8.513 -0.103 1
1 749 . 15 1 1 A 58 58 ARG HA H 58 4.740 4.847 -0.107 1
1 757 . 15 1 1 A 58 58 ARG C C 58 176.200 175.832 0.368 1
1 758 . 15 1 1 A 58 58 ARG CA C 58 55.300 55.147 0.153 1
1 759 . 15 1 1 A 58 58 ARG CB C 58 31.700 32.445 -0.745 1
1 763 . 15 1 1 A 58 58 ARG N N 58 120.900 121.045 -0.145 1
1 765 . 15 1 1 A 59 59 VAL H H 59 9.030 8.580 0.450 1
1 766 . 15 1 1 A 59 59 VAL HA H 59 4.570 4.843 -0.273 1
1 774 . 15 1 1 A 59 59 VAL C C 59 173.900 173.737 0.163 1
1 775 . 15 1 1 A 59 59 VAL CA C 59 58.700 58.734 -0.034 1
1 776 . 15 1 1 A 59 59 VAL CB C 59 34.700 35.802 -1.102 1
1 779 . 15 1 1 A 59 59 VAL N N 59 115.600 118.137 -2.537 1
1 780 . 15 1 1 A 60 60 ASP H H 60 8.290 8.598 -0.308 1
1 781 . 15 1 1 A 60 60 ASP HA H 60 5.560 5.255 0.305 1
1 784 . 15 1 1 A 60 60 ASP C C 60 175.800 175.785 0.015 1
1 785 . 15 1 1 A 60 60 ASP CA C 60 53.600 53.279 0.321 1
1 786 . 15 1 1 A 60 60 ASP CB C 60 43.100 42.806 0.294 1
1 787 . 15 1 1 A 60 60 ASP N N 60 120.700 121.573 -0.873 1
1 788 . 15 1 1 A 61 61 VAL H H 61 9.080 8.613 0.467 1
1 789 . 15 1 1 A 61 61 VAL HA H 61 5.150 5.006 0.144 1
1 797 . 15 1 1 A 61 61 VAL C C 61 173.800 174.403 -0.603 1
1 798 . 15 1 1 A 61 61 VAL CA C 61 57.600 59.002 -1.402 1
1 799 . 15 1 1 A 61 61 VAL CB C 61 35.500 35.916 -0.416 1
1 802 . 15 1 1 A 61 61 VAL N N 61 115.200 117.080 -1.880 1
1 803 . 15 1 1 A 62 62 ILE H H 62 8.530 8.344 0.186 1
1 804 . 15 1 1 A 62 62 ILE HA H 62 5.550 5.389 0.161 1
1 814 . 15 1 1 A 62 62 ILE CA C 62 57.800 58.550 -0.750 1
1 815 . 15 1 1 A 62 62 ILE CB C 62 41.700 41.901 -0.201 1
1 819 . 15 1 1 A 62 62 ILE N N 62 112.000 119.893 -7.893 1
1 820 . 15 1 1 A 64 64 LEU HA H 64 4.960 5.124 -0.164 1
1 830 . 15 1 1 A 64 64 LEU C C 64 173.100 175.155 -2.055 1
1 831 . 15 1 1 A 64 64 LEU CA C 64 53.500 52.497 1.003 1
1 832 . 15 1 1 A 64 64 LEU CB C 64 47.000 46.352 0.648 1
1 836 . 15 1 1 A 65 65 LYS H H 65 8.470 8.526 -0.056 1
1 837 . 15 1 1 A 65 65 LYS HA H 65 3.760 4.842 -1.082 1
1 846 . 15 1 1 A 65 65 LYS C C 65 175.100 176.162 -1.062 1
1 847 . 15 1 1 A 65 65 LYS CA C 65 55.700 55.608 0.092 1
1 848 . 15 1 1 A 65 65 LYS CB C 65 33.600 33.484 0.116 1
1 852 . 15 1 1 A 65 65 LYS N N 65 126.700 121.573 5.127 1
1 853 . 15 1 1 A 66 66 VAL H H 66 7.840 9.057 -1.217 1
1 854 . 15 1 1 A 66 66 VAL HA H 66 4.410 4.811 -0.401 1
1 862 . 15 1 1 A 66 66 VAL C C 66 175.300 174.528 0.772 1
1 863 . 15 1 1 A 66 66 VAL CA C 66 58.300 58.675 -0.375 1
1 864 . 15 1 1 A 66 66 VAL CB C 66 36.400 35.815 0.585 1
1 867 . 15 1 1 A 66 66 VAL N N 66 116.000 119.006 -3.006 1
1 868 . 15 1 1 A 67 67 GLN H H 67 8.620 8.522 0.098 1
1 869 . 15 1 1 A 67 67 GLN HA H 67 4.350 4.497 -0.147 1
1 876 . 15 1 1 A 67 67 GLN CA C 67 54.900 54.105 0.795 1
1 877 . 15 1 1 A 67 67 GLN CB C 67 27.600 28.235 -0.635 1
1 880 . 15 1 1 A 67 67 GLN N N 67 123.000 121.004 1.996 1
1 882 . 15 1 1 A 68 68 PRO HA H 68 4.200 4.058 0.142 1
1 889 . 15 1 1 A 68 68 PRO C C 68 179.400 177.582 1.818 1
1 890 . 15 1 1 A 68 68 PRO CA C 68 65.100 64.456 0.644 1
1 891 . 15 1 1 A 68 68 PRO CB C 68 31.700 31.840 -0.140 1
1 894 . 15 1 1 A 69 69 GLU H H 69 9.620 8.361 1.259 1
1 895 . 15 1 1 A 69 69 GLU HA H 69 4.190 4.133 0.057 1
1 900 . 15 1 1 A 69 69 GLU C C 69 177.100 177.861 -0.761 1
1 901 . 15 1 1 A 69 69 GLU CA C 69 58.600 58.247 0.353 1
1 902 . 15 1 1 A 69 69 GLU CB C 69 28.100 29.807 -1.707 1
1 904 . 15 1 1 A 69 69 GLU N N 69 116.900 116.776 0.124 1
1 905 . 15 1 1 A 70 70 LEU H H 70 7.940 7.675 0.265 1
1 906 . 15 1 1 A 70 70 LEU HA H 70 4.460 4.383 0.077 1
1 916 . 15 1 1 A 70 70 LEU C C 70 177.600 177.794 -0.194 1
1 917 . 15 1 1 A 70 70 LEU CA C 70 54.500 54.801 -0.301 1
1 918 . 15 1 1 A 70 70 LEU CB C 70 42.800 42.289 0.511 1
1 922 . 15 1 1 A 70 70 LEU N N 70 118.700 118.777 -0.077 1
1 923 . 15 1 1 A 71 71 VAL H H 71 7.080 7.444 -0.364 1
1 924 . 15 1 1 A 71 71 VAL HA H 71 3.210 3.737 -0.527 1
1 932 . 15 1 1 A 71 71 VAL C C 71 176.800 177.914 -1.114 1
1 933 . 15 1 1 A 71 71 VAL CA C 71 67.700 65.916 1.784 1
1 934 . 15 1 1 A 71 71 VAL CB C 71 32.000 31.122 0.878 1
1 937 . 15 1 1 A 71 71 VAL N N 71 120.300 120.033 0.267 1
1 938 . 15 1 1 A 72 72 GLY H H 72 8.540 8.430 0.110 1
1 939 . 15 1 1 A 72 72 GLY HA2 H 72 3.770 3.877 -0.107 1
1 940 . 15 1 1 A 72 72 GLY HA3 H 72 3.630 3.877 -0.247 1
1 941 . 15 1 1 A 72 72 GLY C C 72 176.300 176.389 -0.089 1
1 942 . 15 1 1 A 72 72 GLY CA C 72 47.000 46.264 0.736 1
1 943 . 15 1 1 A 72 72 GLY N N 72 105.300 109.012 -3.712 1
1 944 . 15 1 1 A 73 73 SER H H 73 7.870 7.892 -0.022 1
1 945 . 15 1 1 A 73 73 SER HA H 73 4.170 4.148 0.022 1
1 948 . 15 1 1 A 73 73 SER C C 73 178.000 176.701 1.299 1
1 949 . 15 1 1 A 73 73 SER CA C 73 60.600 61.450 -0.850 1
1 950 . 15 1 1 A 73 73 SER CB C 73 62.700 62.656 0.044 1
1 951 . 15 1 1 A 73 73 SER N N 73 115.700 116.380 -0.680 1
1 952 . 15 1 1 A 74 74 LEU H H 74 8.340 7.407 0.933 1
1 953 . 15 1 1 A 74 74 LEU HA H 74 4.000 4.065 -0.065 1
1 963 . 15 1 1 A 74 74 LEU C C 74 178.400 179.153 -0.753 1
1 964 . 15 1 1 A 74 74 LEU CA C 74 57.900 57.636 0.264 1
1 965 . 15 1 1 A 74 74 LEU CB C 74 41.700 41.535 0.165 1
1 969 . 15 1 1 A 74 74 LEU N N 74 124.600 118.745 5.855 1
1 970 . 15 1 1 A 75 75 ARG H H 75 7.850 7.706 0.144 1
1 971 . 15 1 1 A 75 75 ARG HA H 75 3.750 4.081 -0.331 1
1 979 . 15 1 1 A 75 75 ARG C C 75 176.500 177.989 -1.489 1
1 980 . 15 1 1 A 75 75 ARG CA C 75 57.800 58.923 -1.123 1
1 981 . 15 1 1 A 75 75 ARG CB C 75 29.500 29.689 -0.189 1
1 985 . 15 1 1 A 75 75 ARG N N 75 113.300 119.058 -5.758 1
1 987 . 15 1 1 A 76 76 LYS H H 76 7.100 7.736 -0.636 1
1 988 . 15 1 1 A 76 76 LYS HA H 76 4.210 4.349 -0.139 1
1 997 . 15 1 1 A 76 76 LYS C C 76 177.000 176.759 0.241 1
1 998 . 15 1 1 A 76 76 LYS CA C 76 56.500 57.831 -1.331 1
1 999 . 15 1 1 A 76 76 LYS CB C 76 32.700 32.278 0.422 1
1 1003 . 15 1 1 A 76 76 LYS N N 76 116.600 115.370 1.230 1
1 1004 . 15 1 1 A 77 77 LYS H H 77 7.830 7.242 0.588 1
1 1005 . 15 1 1 A 77 77 LYS HA H 77 4.470 4.504 -0.034 1
1 1014 . 15 1 1 A 77 77 LYS CA C 77 54.500 54.073 0.427 1
1 1015 . 15 1 1 A 77 77 LYS CB C 77 31.800 31.956 -0.156 1
1 1019 . 15 1 1 A 77 77 LYS N N 77 122.900 121.890 1.010 1
1 1020 . 15 1 1 A 78 78 PRO HA H 78 4.190 4.234 -0.044 1
1 1027 . 15 1 1 A 78 78 PRO C C 78 176.600 177.291 -0.691 1
1 1028 . 15 1 1 A 78 78 PRO CA C 78 63.700 63.602 0.098 1
1 1029 . 15 1 1 A 78 78 PRO CB C 78 31.900 31.591 0.309 1
1 1032 . 15 1 1 A 79 79 GLY H H 79 8.290 8.757 -0.467 1
1 1033 . 15 1 1 A 79 79 GLY HA2 H 79 4.350 3.967 0.383 1
1 1034 . 15 1 1 A 79 79 GLY HA3 H 79 3.590 4.086 -0.496 1
1 1035 . 15 1 1 A 79 79 GLY C C 79 172.000 174.304 -2.304 1
1 1036 . 15 1 1 A 79 79 GLY CA C 79 45.500 45.365 0.135 1
1 1037 . 15 1 1 A 79 79 GLY N N 79 109.300 111.296 -1.996 1
1 1038 . 15 1 1 A 80 80 ILE H H 80 7.300 7.225 0.075 1
1 1039 . 15 1 1 A 80 80 ILE HA H 80 4.770 4.219 0.551 1
1 1049 . 15 1 1 A 80 80 ILE C C 80 174.200 175.215 -1.015 1
1 1050 . 15 1 1 A 80 80 ILE CA C 80 60.500 61.294 -0.794 1
1 1051 . 15 1 1 A 80 80 ILE CB C 80 37.000 38.035 -1.035 1
1 1055 . 15 1 1 A 80 80 ILE N N 80 119.200 122.390 -3.190 1
1 1056 . 15 1 1 A 81 81 TYR H H 81 9.490 8.630 0.860 1
1 1057 . 15 1 1 A 81 81 TYR HA H 81 4.840 4.909 -0.069 1
1 1064 . 15 1 1 A 81 81 TYR CA C 81 56.800 55.565 1.235 1
1 1065 . 15 1 1 A 81 81 TYR CB C 81 39.800 40.437 -0.637 1
1 1070 . 15 1 1 A 81 81 TYR N N 81 126.100 126.361 -0.261 1
1 1071 . 15 1 1 A 82 82 PRO HA H 82 4.610 4.520 0.090 1
1 1078 . 15 1 1 A 82 82 PRO CA C 82 62.300 62.997 -0.697 1
1 1079 . 15 1 1 A 82 82 PRO CB C 82 32.000 32.040 -0.040 1
1 1082 . 15 1 1 A 83 83 ALA HA H 83 4.140 4.423 -0.283 1
1 1086 . 15 1 1 A 84 84 TYR HA H 84 4.470 4.729 -0.259 1
1 1093 . 15 1 1 A 84 84 TYR CA C 84 57.500 57.836 -0.336 1
1 1094 . 15 1 1 A 84 84 TYR CB C 84 39.500 38.809 0.691 1
1 1099 . 15 1 1 A 87 87 ASN HA H 87 4.410 5.173 -0.763 1
1 1104 . 15 1 1 A 87 87 ASN C C 87 176.500 175.112 1.388 1
1 1105 . 15 1 1 A 87 87 ASN CA C 87 55.100 52.563 2.537 1
1 1106 . 15 1 1 A 87 87 ASN CB C 87 40.600 39.803 0.797 1
1 1109 . 15 1 1 A 88 88 LYS H H 88 8.710 8.552 0.158 1
1 1110 . 15 1 1 A 88 88 LYS HA H 88 4.320 4.869 -0.549 1
1 1119 . 15 1 1 A 88 88 LYS C C 88 177.600 176.576 1.024 1
1 1120 . 15 1 1 A 88 88 LYS CA C 88 58.100 55.421 2.679 1
1 1121 . 15 1 1 A 88 88 LYS CB C 88 33.000 32.678 0.322 1
1 1125 . 15 1 1 A 88 88 LYS N N 88 123.800 123.473 0.327 1
1 1126 . 15 1 1 A 89 89 GLU H H 89 8.390 8.836 -0.446 1
1 1127 . 15 1 1 A 89 89 GLU HA H 89 4.270 4.525 -0.255 1
1 1132 . 15 1 1 A 89 89 GLU C C 89 176.500 177.451 -0.951 1
1 1133 . 15 1 1 A 89 89 GLU CA C 89 57.800 57.555 0.245 1
1 1134 . 15 1 1 A 89 89 GLU CB C 89 30.100 32.456 -2.356 1
1 1136 . 15 1 1 A 89 89 GLU N N 89 117.000 125.141 -8.141 1
1 1137 . 15 1 1 A 90 90 HIS H H 90 7.600 8.075 -0.475 1
1 1138 . 15 1 1 A 90 90 HIS HA H 90 4.580 4.428 0.152 1
1 1142 . 15 1 1 A 90 90 HIS C C 90 170.800 174.235 -3.435 1
1 1143 . 15 1 1 A 90 90 HIS CA C 90 55.500 56.237 -0.737 1
1 1144 . 15 1 1 A 90 90 HIS CB C 90 32.200 29.556 2.644 1
1 1145 . 15 1 1 A 90 90 HIS N N 90 111.500 113.371 -1.871 1
1 1146 . 15 1 1 A 91 91 TRP H H 91 7.650 7.836 -0.186 1
1 1147 . 15 1 1 A 91 91 TRP HA H 91 5.610 5.231 0.379 1
1 1156 . 15 1 1 A 91 91 TRP C C 91 174.600 175.602 -1.002 1
1 1157 . 15 1 1 A 91 91 TRP CA C 91 55.500 55.231 0.269 1
1 1158 . 15 1 1 A 91 91 TRP CB C 91 31.700 31.622 0.078 1
1 1163 . 15 1 1 A 91 91 TRP N N 91 117.400 118.910 -1.510 1
1 1165 . 15 1 1 A 92 92 ILE H H 92 9.100 8.989 0.111 1
1 1166 . 15 1 1 A 92 92 ILE HA H 92 4.630 4.797 -0.167 1
1 1176 . 15 1 1 A 92 92 ILE C C 92 174.500 174.845 -0.345 1
1 1177 . 15 1 1 A 92 92 ILE CA C 92 59.800 59.853 -0.053 1
1 1178 . 15 1 1 A 92 92 ILE CB C 92 42.500 41.922 0.578 1
1 1182 . 15 1 1 A 92 92 ILE N N 92 111.700 123.932 -12.232 1
1 1183 . 15 1 1 A 93 93 THR H H 93 8.570 8.705 -0.135 1
1 1184 . 15 1 1 A 93 93 THR HA H 93 4.250 5.121 -0.871 1
1 1190 . 15 1 1 A 93 93 THR CA C 93 61.800 62.191 -0.391 1
1 1191 . 15 1 1 A 93 93 THR CB C 93 70.200 70.784 -0.584 1
1 1193 . 15 1 1 A 93 93 THR N N 93 117.600 123.563 -5.963 1
1 1194 . 15 1 1 A 94 94 VAL HA H 94 4.680 4.950 -0.270 1
1 1202 . 15 1 1 A 94 94 VAL C C 94 175.400 174.677 0.723 1
1 1203 . 15 1 1 A 94 94 VAL CA C 94 60.700 60.716 -0.016 1
1 1204 . 15 1 1 A 94 94 VAL CB C 94 34.100 34.528 -0.428 1
1 1207 . 15 1 1 A 95 95 LEU H H 95 8.080 8.716 -0.636 1
1 1208 . 15 1 1 A 95 95 LEU HA H 95 4.330 4.536 -0.206 1
1 1218 . 15 1 1 A 95 95 LEU C C 95 176.400 176.251 0.149 1
1 1219 . 15 1 1 A 95 95 LEU CA C 95 55.000 54.579 0.421 1
1 1220 . 15 1 1 A 95 95 LEU CB C 95 44.300 42.026 2.274 1
1 1224 . 15 1 1 A 95 95 LEU N N 95 127.500 127.714 -0.214 1
1 1225 . 15 1 1 A 96 96 LEU H H 96 8.050 8.316 -0.266 1
1 1226 . 15 1 1 A 96 96 LEU HA H 96 4.150 3.990 0.160 1
1 1236 . 15 1 1 A 96 96 LEU C C 96 177.400 178.765 -1.365 1
1 1237 . 15 1 1 A 96 96 LEU CA C 96 56.500 58.122 -1.622 1
1 1238 . 15 1 1 A 96 96 LEU CB C 96 40.500 41.468 -0.968 1
1 1242 . 15 1 1 A 96 96 LEU N N 96 128.100 127.341 0.759 1
1 1243 . 15 1 1 A 97 97 ASN H H 97 8.690 8.036 0.654 1
1 1244 . 15 1 1 A 97 97 ASN HA H 97 4.740 4.707 0.033 1
1 1249 . 15 1 1 A 97 97 ASN C C 97 174.900 176.272 -1.372 1
1 1250 . 15 1 1 A 97 97 ASN CA C 97 53.000 54.492 -1.492 1
1 1251 . 15 1 1 A 97 97 ASN CB C 97 37.700 38.185 -0.485 1
1 1252 . 15 1 1 A 97 97 ASN N N 97 117.200 115.029 2.171 1
1 1254 . 15 1 1 A 98 98 GLY H H 98 7.820 8.101 -0.281 1
1 1255 . 15 1 1 A 98 98 GLY HA2 H 98 4.470 4.107 0.363 1
1 1256 . 15 1 1 A 98 98 GLY HA3 H 98 3.740 4.120 -0.380 1
1 1257 . 15 1 1 A 98 98 GLY C C 98 174.900 174.580 0.320 1
1 1258 . 15 1 1 A 98 98 GLY CA C 98 44.900 44.474 0.426 1
1 1259 . 15 1 1 A 98 98 GLY N N 98 108.600 108.158 0.442 1
1 1260 . 15 1 1 A 99 99 PRO HA H 99 4.380 4.539 -0.159 1
1 1267 . 15 1 1 A 99 99 PRO C C 99 177.400 176.048 1.352 1
1 1268 . 15 1 1 A 99 99 PRO CA C 99 63.900 63.817 0.083 1
1 1269 . 15 1 1 A 99 99 PRO CB C 99 32.400 32.075 0.325 1
1 1272 . 15 1 1 A 100 100 LEU H H 100 7.750 7.437 0.313 1
1 1273 . 15 1 1 A 100 100 LEU HA H 100 4.280 4.432 -0.152 1
1 1283 . 15 1 1 A 100 100 LEU C C 100 177.400 177.010 0.390 1
1 1284 . 15 1 1 A 100 100 LEU CA C 100 55.800 53.594 2.206 1
1 1285 . 15 1 1 A 100 100 LEU CB C 100 42.600 43.072 -0.472 1
1 1289 . 15 1 1 A 100 100 LEU N N 100 120.300 116.758 3.542 1
1 1290 . 15 1 1 A 101 101 GLY H H 101 8.620 8.377 0.243 1
1 1291 . 15 1 1 A 101 101 GLY HA2 H 101 4.110 4.148 -0.038 1
1 1292 . 15 1 1 A 101 101 GLY HA3 H 101 3.890 4.154 -0.264 1
1 1293 . 15 1 1 A 101 101 GLY C C 101 173.600 174.655 -1.055 1
1 1294 . 15 1 1 A 101 101 GLY CA C 101 44.300 44.084 0.216 1
1 1295 . 15 1 1 A 101 101 GLY N N 101 110.600 107.372 3.228 1
1 1296 . 15 1 1 A 102 102 ALA H H 102 8.310 8.894 -0.584 1
1 1297 . 15 1 1 A 102 102 ALA HA H 102 3.520 3.852 -0.332 1
1 1301 . 15 1 1 A 102 102 ALA C C 102 178.900 179.652 -0.752 1
1 1302 . 15 1 1 A 102 102 ALA CA C 102 55.400 54.536 0.864 1
1 1303 . 15 1 1 A 102 102 ALA CB C 102 18.600 18.112 0.488 1
1 1304 . 15 1 1 A 102 102 ALA N N 102 122.000 122.764 -0.764 1
1 1305 . 15 1 1 A 103 103 LYS H H 103 8.360 7.821 0.539 1
1 1306 . 15 1 1 A 103 103 LYS HA H 103 3.730 3.867 -0.137 1
1 1315 . 15 1 1 A 103 103 LYS C C 103 179.400 178.772 0.628 1
1 1316 . 15 1 1 A 103 103 LYS CA C 103 60.000 59.231 0.769 1
1 1317 . 15 1 1 A 103 103 LYS CB C 103 31.900 32.181 -0.281 1
1 1321 . 15 1 1 A 103 103 LYS N N 103 116.500 116.100 0.400 1
1 1322 . 15 1 1 A 104 104 GLU H H 104 7.890 7.873 0.017 1
1 1323 . 15 1 1 A 104 104 GLU HA H 104 4.080 4.172 -0.092 1
1 1328 . 15 1 1 A 104 104 GLU C C 104 179.300 179.303 -0.003 1
1 1329 . 15 1 1 A 104 104 GLU CA C 104 59.500 58.937 0.563 1
1 1330 . 15 1 1 A 104 104 GLU CB C 104 29.100 29.521 -0.421 1
1 1332 . 15 1 1 A 104 104 GLU N N 104 120.000 118.795 1.205 1
1 1333 . 15 1 1 A 105 105 ILE H H 105 8.170 7.402 0.768 1
1 1334 . 15 1 1 A 105 105 ILE HA H 105 3.520 3.744 -0.224 1
1 1344 . 15 1 1 A 105 105 ILE C C 105 178.100 178.231 -0.131 1
1 1345 . 15 1 1 A 105 105 ILE CA C 105 66.700 65.418 1.282 1
1 1346 . 15 1 1 A 105 105 ILE CB C 105 37.700 37.902 -0.202 1
1 1350 . 15 1 1 A 105 105 ILE N N 105 119.500 120.486 -0.986 1
1 1351 . 15 1 1 A 106 106 HIS H H 106 8.930 7.957 0.973 1
1 1352 . 15 1 1 A 106 106 HIS HA H 106 4.230 4.309 -0.079 1
1 1356 . 15 1 1 A 106 106 HIS C C 106 178.000 177.831 0.169 1
1 1357 . 15 1 1 A 106 106 HIS CA C 106 57.600 59.894 -2.294 1
1 1358 . 15 1 1 A 106 106 HIS CB C 106 28.400 29.671 -1.271 1
1 1360 . 15 1 1 A 106 106 HIS N N 106 116.700 120.189 -3.489 1
1 1361 . 15 1 1 A 107 107 SER H H 107 8.060 7.978 0.082 1
1 1362 . 15 1 1 A 107 107 SER HA H 107 4.310 4.112 0.198 1
1 1365 . 15 1 1 A 107 107 SER C C 107 175.900 176.164 -0.264 1
1 1366 . 15 1 1 A 107 107 SER CA C 107 62.200 61.848 0.352 1
1 1367 . 15 1 1 A 107 107 SER CB C 107 62.500 63.133 -0.633 1
1 1368 . 15 1 1 A 107 107 SER N N 107 117.000 115.367 1.633 1
1 1369 . 15 1 1 A 108 108 LEU H H 108 7.950 8.215 -0.265 1
1 1370 . 15 1 1 A 108 108 LEU HA H 108 4.180 4.025 0.155 1
1 1380 . 15 1 1 A 108 108 LEU C C 108 180.600 179.090 1.510 1
1 1381 . 15 1 1 A 108 108 LEU CA C 108 57.900 58.077 -0.177 1
1 1382 . 15 1 1 A 108 108 LEU CB C 108 42.500 41.997 0.503 1
1 1386 . 15 1 1 A 108 108 LEU N N 108 121.800 120.259 1.541 1
1 1387 . 15 1 1 A 109 109 ILE H H 109 8.730 8.239 0.491 1
1 1388 . 15 1 1 A 109 109 ILE HA H 109 3.830 3.703 0.127 1
1 1398 . 15 1 1 A 109 109 ILE C C 109 176.800 178.261 -1.461 1
1 1399 . 15 1 1 A 109 109 ILE CA C 109 65.800 65.595 0.205 1
1 1400 . 15 1 1 A 109 109 ILE CB C 109 38.600 37.525 1.075 1
1 1404 . 15 1 1 A 109 109 ILE N N 109 120.200 119.677 0.523 1
1 1405 . 15 1 1 A 110 110 GLU H H 110 7.960 8.928 -0.968 1
1 1406 . 15 1 1 A 110 110 GLU HA H 110 4.280 4.024 0.256 1
1 1411 . 15 1 1 A 110 110 GLU C C 110 178.500 178.661 -0.161 1
1 1412 . 15 1 1 A 110 110 GLU CA C 110 58.800 60.066 -1.266 1
1 1413 . 15 1 1 A 110 110 GLU CB C 110 28.200 29.377 -1.177 1
1 1415 . 15 1 1 A 110 110 GLU N N 110 120.800 121.265 -0.465 1
1 1416 . 15 1 1 A 111 111 ASP H H 111 8.290 7.924 0.366 1
1 1417 . 15 1 1 A 111 111 ASP HA H 111 4.470 4.483 -0.013 1
1 1420 . 15 1 1 A 111 111 ASP C C 111 178.200 178.604 -0.404 1
1 1421 . 15 1 1 A 111 111 ASP CA C 111 57.100 57.181 -0.081 1
1 1422 . 15 1 1 A 111 111 ASP CB C 111 39.300 40.502 -1.202 1
1 1423 . 15 1 1 A 111 111 ASP N N 111 119.200 120.630 -1.430 1
1 1424 . 15 1 1 A 112 112 SER H H 112 7.800 7.881 -0.081 1
1 1425 . 15 1 1 A 112 112 SER HA H 112 4.200 4.343 -0.143 1
1 1428 . 15 1 1 A 112 112 SER C C 112 178.600 176.895 1.705 1
1 1429 . 15 1 1 A 112 112 SER CA C 112 61.200 61.404 -0.204 1
1 1430 . 15 1 1 A 112 112 SER CB C 112 64.200 62.885 1.315 1
1 1431 . 15 1 1 A 112 112 SER N N 112 114.700 115.059 -0.359 1
1 1432 . 15 1 1 A 113 113 PHE H H 113 9.160 8.692 0.468 1
1 1433 . 15 1 1 A 113 113 PHE HA H 113 3.210 4.281 -1.071 1
1 1436 . 15 1 1 A 113 113 PHE C C 113 178.100 177.984 0.116 1
1 1437 . 15 1 1 A 113 113 PHE CA C 113 62.900 61.760 1.140 1
1 1438 . 15 1 1 A 113 113 PHE CB C 113 39.100 39.387 -0.287 1
1 1439 . 15 1 1 A 113 113 PHE N N 113 121.400 123.200 -1.800 1
1 1440 . 15 1 1 A 114 114 GLN H H 114 8.870 8.036 0.834 1
1 1441 . 15 1 1 A 114 114 GLN HA H 114 4.000 3.854 0.146 1
1 1448 . 15 1 1 A 114 114 GLN C C 114 179.700 178.999 0.701 1
1 1449 . 15 1 1 A 114 114 GLN CA C 114 58.300 58.758 -0.458 1
1 1450 . 15 1 1 A 114 114 GLN CB C 114 27.600 28.205 -0.605 1
1 1453 . 15 1 1 A 114 114 GLN N N 114 116.800 118.178 -1.378 1
1 1455 . 15 1 1 A 115 115 LEU H H 115 8.570 7.755 0.815 1
1 1456 . 15 1 1 A 115 115 LEU HA H 115 4.090 4.017 0.073 1
1 1466 . 15 1 1 A 115 115 LEU C C 115 178.600 177.922 0.678 1
1 1467 . 15 1 1 A 115 115 LEU CA C 115 57.300 57.848 -0.548 1
1 1468 . 15 1 1 A 115 115 LEU CB C 115 43.200 42.063 1.137 1
1 1472 . 15 1 1 A 115 115 LEU N N 115 119.800 120.287 -0.487 1
1 1473 . 15 1 1 A 116 116 THR H H 116 7.240 7.323 -0.083 1
1 1474 . 15 1 1 A 116 116 THR HA H 116 4.270 4.444 -0.174 1
1 1480 . 15 1 1 A 116 116 THR C C 116 173.200 174.466 -1.266 1
1 1481 . 15 1 1 A 116 116 THR CA C 116 60.700 61.754 -1.054 1
1 1482 . 15 1 1 A 116 116 THR CB C 116 70.800 69.597 1.203 1
1 1484 . 15 1 1 A 116 116 THR N N 116 104.900 106.700 -1.800 1
1 1485 . 15 1 1 A 117 117 ARG H H 117 6.840 7.370 -0.530 1
1 1486 . 15 1 1 A 117 117 ARG HA H 117 3.060 3.647 -0.587 1
1 1494 . 15 1 1 A 117 117 ARG C C 117 175.200 176.363 -1.163 1
1 1495 . 15 1 1 A 117 117 ARG CA C 117 55.900 56.290 -0.390 1
1 1496 . 15 1 1 A 117 117 ARG CB C 117 31.100 30.490 0.610 1
1 1500 . 15 1 1 A 117 117 ARG N N 117 120.900 123.706 -2.806 1
1 1502 . 15 1 1 A 118 118 LEU H H 118 8.380 8.250 0.130 1
1 1503 . 15 1 1 A 118 118 LEU HA H 118 4.100 4.213 -0.113 1
1 1513 . 15 1 1 A 118 118 LEU C C 118 176.500 177.981 -1.481 1
1 1514 . 15 1 1 A 118 118 LEU CA C 118 55.300 55.090 0.210 1
1 1515 . 15 1 1 A 118 118 LEU CB C 118 42.400 42.223 0.177 1
1 1519 . 15 1 1 A 118 118 LEU N N 118 122.600 125.038 -2.438 1
1 1520 . 15 1 1 A 119 119 GLU H H 119 8.330 8.518 -0.188 1
1 1521 . 15 1 1 A 119 119 GLU HA H 119 4.160 4.392 -0.232 1
1 1526 . 15 1 1 A 119 119 GLU C C 119 175.800 176.270 -0.470 1
1 1527 . 15 1 1 A 119 119 GLU CA C 119 56.000 55.806 0.194 1
1 1528 . 15 1 1 A 119 119 GLU CB C 119 30.300 28.492 1.808 1
1 1530 . 15 1 1 A 119 119 GLU N N 119 124.000 120.000 4.000 1
1 1531 . 15 1 1 A 120 120 HIS H H 120 8.520 8.445 0.075 1
1 1532 . 15 1 1 A 120 120 HIS HA H 120 4.620 4.408 0.212 1
1 1535 . 15 1 1 A 120 120 HIS C C 120 174.000 173.673 0.327 1
1 1536 . 15 1 1 A 120 120 HIS CA C 120 55.300 56.358 -1.058 1
1 1537 . 15 1 1 A 120 120 HIS CB C 120 29.300 29.224 0.076 1
1 1538 . 15 1 1 A 120 120 HIS N N 120 120.100 118.154 1.946 1
1 1539 . 15 1 1 A 121 121 HIS H H 121 8.580 7.738 0.842 1
1 1540 . 15 1 1 A 121 121 HIS HA H 121 4.620 4.723 -0.103 1
1 1543 . 15 1 1 A 121 121 HIS C C 121 173.500 175.893 -2.393 1
1 1544 . 15 1 1 A 121 121 HIS CA C 121 55.300 56.080 -0.780 1
1 1545 . 15 1 1 A 121 121 HIS CB C 121 29.200 30.289 -1.089 1
1 1546 . 15 1 1 A 121 121 HIS N N 121 120.800 119.789 1.011 1
1 1547 . 15 1 1 A 122 122 HIS H H 122 8.400 8.535 -0.135 1
1 1548 . 15 1 1 A 122 122 HIS HA H 122 4.620 4.632 -0.012 1
1 1551 . 15 1 1 A 122 122 HIS CA C 122 55.300 55.012 0.288 1
1 1552 . 15 1 1 A 122 122 HIS CB C 122 29.200 31.860 -2.660 1
1 1553 . 15 1 1 A 122 122 HIS N N 122 125.700 118.460 7.240 1
1 1554 . 15 1 1 A 123 123 HIS H H 123 8.690 8.717 -0.027 1
1 1555 . 15 1 1 A 123 123 HIS HA H 123 4.640 4.350 0.290 1
1 1558 . 15 1 1 A 123 123 HIS C C 123 174.100 175.397 -1.297 1
1 1559 . 15 1 1 A 123 123 HIS CA C 123 55.300 56.189 -0.889 1
1 1560 . 15 1 1 A 123 123 HIS CB C 123 29.300 29.737 -0.437 1
1 1561 . 15 1 1 A 123 123 HIS N N 123 120.200 119.190 1.010 1
1 1562 . 15 1 1 A 124 124 HIS H H 124 8.710 8.717 -0.007 1
1 1563 . 15 1 1 A 124 124 HIS HA H 124 4.640 4.290 0.350 1
1 1566 . 15 1 1 A 124 124 HIS C C 124 174.200 175.213 -1.013 1
1 1567 . 15 1 1 A 124 124 HIS CA C 124 55.300 59.358 -4.058 1
1 1568 . 15 1 1 A 124 124 HIS CB C 124 29.300 29.947 -0.647 1
1 14 . 16 1 1 A 2 2 ASN H H 2 8.500 8.807 -0.307 1
1 15 . 16 1 1 A 2 2 ASN HA H 2 4.990 5.070 -0.080 1
1 20 . 16 1 1 A 2 2 ASN C C 2 175.600 176.266 -0.666 1
1 21 . 16 1 1 A 2 2 ASN CA C 2 51.000 52.309 -1.309 1
1 22 . 16 1 1 A 2 2 ASN CB C 2 40.000 40.273 -0.273 1
1 24 . 16 1 1 A 2 2 ASN N N 2 122.000 124.309 -2.309 1
1 26 . 16 1 1 A 3 3 ARG H H 3 8.950 9.003 -0.053 1
1 27 . 16 1 1 A 3 3 ARG HA H 3 3.850 4.001 -0.151 1
1 35 . 16 1 1 A 3 3 ARG C C 3 175.600 177.643 -2.043 1
1 36 . 16 1 1 A 3 3 ARG CA C 3 60.400 59.655 0.745 1
1 37 . 16 1 1 A 3 3 ARG CB C 3 30.900 29.964 0.936 1
1 41 . 16 1 1 A 3 3 ARG N N 3 117.600 125.926 -8.326 1
1 43 . 16 1 1 A 4 4 GLN H H 4 8.370 8.052 0.318 1
1 44 . 16 1 1 A 4 4 GLN HA H 4 3.900 4.128 -0.228 1
1 51 . 16 1 1 A 4 4 GLN C C 4 178.300 178.286 0.014 1
1 52 . 16 1 1 A 4 4 GLN CA C 4 58.900 59.210 -0.310 1
1 53 . 16 1 1 A 4 4 GLN CB C 4 28.200 28.484 -0.284 1
1 56 . 16 1 1 A 4 4 GLN N N 4 120.700 118.583 2.117 1
1 58 . 16 1 1 A 5 5 GLN H H 5 8.670 8.132 0.538 1
1 59 . 16 1 1 A 5 5 GLN HA H 5 4.190 4.124 0.066 1
1 66 . 16 1 1 A 5 5 GLN C C 5 180.000 178.532 1.468 1
1 67 . 16 1 1 A 5 5 GLN CA C 5 58.500 59.026 -0.526 1
1 68 . 16 1 1 A 5 5 GLN CB C 5 28.900 28.322 0.578 1
1 71 . 16 1 1 A 5 5 GLN N N 5 117.700 118.665 -0.965 1
1 73 . 16 1 1 A 6 6 PHE H H 6 8.270 8.032 0.238 1
1 74 . 16 1 1 A 6 6 PHE HA H 6 4.130 4.206 -0.076 1
1 82 . 16 1 1 A 6 6 PHE C C 6 175.500 177.287 -1.787 1
1 83 . 16 1 1 A 6 6 PHE CA C 6 62.700 61.249 1.451 1
1 84 . 16 1 1 A 6 6 PHE CB C 6 39.000 39.303 -0.303 1
1 90 . 16 1 1 A 6 6 PHE N N 6 121.200 120.819 0.381 1
1 91 . 16 1 1 A 7 7 ILE H H 7 8.390 8.155 0.235 1
1 92 . 16 1 1 A 7 7 ILE HA H 7 3.280 3.554 -0.274 1
1 102 . 16 1 1 A 7 7 ILE C C 7 178.900 177.714 1.186 1
1 103 . 16 1 1 A 7 7 ILE CA C 7 66.400 65.473 0.927 1
1 104 . 16 1 1 A 7 7 ILE CB C 7 38.500 37.948 0.552 1
1 108 . 16 1 1 A 7 7 ILE N N 7 121.000 120.944 0.056 1
1 109 . 16 1 1 A 8 8 ASP H H 8 8.710 8.141 0.569 1
1 110 . 16 1 1 A 8 8 ASP HA H 8 4.370 4.307 0.063 1
1 113 . 16 1 1 A 8 8 ASP C C 8 178.000 177.858 0.142 1
1 114 . 16 1 1 A 8 8 ASP CA C 8 57.300 57.289 0.011 1
1 115 . 16 1 1 A 8 8 ASP CB C 8 40.600 40.939 -0.339 1
1 116 . 16 1 1 A 8 8 ASP N N 8 119.800 120.682 -0.882 1
1 117 . 16 1 1 A 9 9 TYR H H 9 8.060 8.627 -0.567 1
1 118 . 16 1 1 A 9 9 TYR HA H 9 4.000 4.155 -0.155 1
1 125 . 16 1 1 A 9 9 TYR C C 9 176.500 177.978 -1.478 1
1 126 . 16 1 1 A 9 9 TYR CA C 9 61.700 62.578 -0.878 1
1 127 . 16 1 1 A 9 9 TYR CB C 9 38.600 38.524 0.076 1
1 132 . 16 1 1 A 9 9 TYR N N 9 121.600 120.960 0.640 1
1 133 . 16 1 1 A 10 10 ALA H H 10 8.340 7.998 0.342 1
1 134 . 16 1 1 A 10 10 ALA HA H 10 3.730 3.794 -0.064 1
1 138 . 16 1 1 A 10 10 ALA C C 10 180.200 179.531 0.669 1
1 139 . 16 1 1 A 10 10 ALA CA C 10 55.200 54.871 0.329 1
1 140 . 16 1 1 A 10 10 ALA CB C 10 17.300 17.934 -0.634 1
1 141 . 16 1 1 A 10 10 ALA N N 10 120.700 122.186 -1.486 1
1 142 . 16 1 1 A 11 11 GLN H H 11 7.830 7.611 0.219 1
1 143 . 16 1 1 A 11 11 GLN HA H 11 4.130 3.906 0.224 1
1 150 . 16 1 1 A 11 11 GLN C C 11 178.300 178.578 -0.278 1
1 151 . 16 1 1 A 11 11 GLN CA C 11 59.200 58.914 0.286 1
1 152 . 16 1 1 A 11 11 GLN CB C 11 28.600 28.356 0.244 1
1 155 . 16 1 1 A 11 11 GLN N N 11 116.600 117.979 -1.379 1
1 157 . 16 1 1 A 12 12 LYS H H 12 8.040 7.320 0.720 1
1 158 . 16 1 1 A 12 12 LYS HA H 12 3.890 3.951 -0.061 1
1 167 . 16 1 1 A 12 12 LYS C C 12 178.200 178.678 -0.478 1
1 168 . 16 1 1 A 12 12 LYS CA C 12 58.800 59.451 -0.651 1
1 169 . 16 1 1 A 12 12 LYS CB C 12 32.700 31.973 0.727 1
1 173 . 16 1 1 A 12 12 LYS N N 12 119.300 119.265 0.035 1
1 174 . 16 1 1 A 13 13 LYS H H 13 8.440 7.290 1.150 1
1 175 . 16 1 1 A 13 13 LYS HA H 13 3.610 3.573 0.037 1
1 184 . 16 1 1 A 13 13 LYS C C 13 177.600 176.890 0.710 1
1 185 . 16 1 1 A 13 13 LYS CA C 13 56.900 58.174 -1.274 1
1 186 . 16 1 1 A 13 13 LYS CB C 13 32.000 32.568 -0.568 1
1 190 . 16 1 1 A 13 13 LYS N N 13 117.700 119.618 -1.918 1
1 191 . 16 1 1 A 14 14 TYR H H 14 6.780 7.397 -0.617 1
1 192 . 16 1 1 A 14 14 TYR HA H 14 4.530 4.461 0.069 1
1 199 . 16 1 1 A 14 14 TYR C C 14 175.800 174.619 1.181 1
1 200 . 16 1 1 A 14 14 TYR CA C 14 56.600 57.856 -1.256 1
1 201 . 16 1 1 A 14 14 TYR CB C 14 39.500 39.917 -0.417 1
1 206 . 16 1 1 A 14 14 TYR N N 14 113.100 113.377 -0.277 1
1 207 . 16 1 1 A 15 15 ASP H H 15 7.620 8.388 -0.768 1
1 208 . 16 1 1 A 15 15 ASP HA H 15 4.810 4.221 0.589 1
1 211 . 16 1 1 A 15 15 ASP C C 15 175.200 174.710 0.490 1
1 212 . 16 1 1 A 15 15 ASP CA C 15 55.100 55.073 0.027 1
1 213 . 16 1 1 A 15 15 ASP CB C 15 39.300 39.618 -0.318 1
1 214 . 16 1 1 A 15 15 ASP N N 15 119.600 119.948 -0.348 1
1 215 . 16 1 1 A 16 16 THR H H 16 7.560 7.836 -0.276 1
1 216 . 16 1 1 A 16 16 THR HA H 16 4.650 4.665 -0.015 1
1 222 . 16 1 1 A 16 16 THR C C 16 173.200 173.796 -0.596 1
1 223 . 16 1 1 A 16 16 THR CA C 16 61.500 61.742 -0.242 1
1 224 . 16 1 1 A 16 16 THR CB C 16 71.000 70.356 0.644 1
1 226 . 16 1 1 A 16 16 THR N N 16 113.100 113.933 -0.833 1
1 227 . 16 1 1 A 17 17 LYS H H 17 8.830 8.613 0.217 1
1 228 . 16 1 1 A 17 17 LYS HA H 17 4.690 4.806 -0.116 1
1 235 . 16 1 1 A 17 17 LYS C C 17 173.200 174.603 -1.403 1
1 236 . 16 1 1 A 17 17 LYS CA C 17 53.600 54.209 -0.609 1
1 237 . 16 1 1 A 17 17 LYS CB C 17 32.800 31.906 0.894 1
1 241 . 16 1 1 A 17 17 LYS N N 17 127.200 126.609 0.591 1
1 242 . 16 1 1 A 18 18 PRO HA H 18 3.540 4.091 -0.551 1
1 249 . 16 1 1 A 18 18 PRO C C 18 175.800 174.977 0.823 1
1 250 . 16 1 1 A 18 18 PRO CA C 18 62.000 62.792 -0.792 1
1 251 . 16 1 1 A 18 18 PRO CB C 18 32.200 32.575 -0.375 1
1 254 . 16 1 1 A 19 19 ASP H H 19 8.310 8.202 0.108 1
1 255 . 16 1 1 A 19 19 ASP HA H 19 4.740 4.949 -0.209 1
1 258 . 16 1 1 A 19 19 ASP C C 19 175.100 173.916 1.184 1
1 259 . 16 1 1 A 19 19 ASP CA C 19 52.300 52.999 -0.699 1
1 260 . 16 1 1 A 19 19 ASP CB C 19 43.700 44.597 -0.897 1
1 261 . 16 1 1 A 19 19 ASP N N 19 120.300 120.940 -0.640 1
1 262 . 16 1 1 A 20 20 HIS H H 20 8.620 8.239 0.381 1
1 263 . 16 1 1 A 20 20 HIS HA H 20 5.170 5.259 -0.089 1
1 266 . 16 1 1 A 20 20 HIS CA C 20 53.200 52.477 0.723 1
1 267 . 16 1 1 A 20 20 HIS CB C 20 28.800 29.916 -1.116 1
1 268 . 16 1 1 A 20 20 HIS N N 20 118.800 120.514 -1.714 1
1 269 . 16 1 1 A 21 21 PRO HA H 21 4.190 4.190 0.000 1
1 276 . 16 1 1 A 21 21 PRO C C 21 176.600 177.567 -0.967 1
1 277 . 16 1 1 A 21 21 PRO CA C 21 63.900 65.013 -1.113 1
1 278 . 16 1 1 A 21 21 PRO CB C 21 32.100 31.255 0.845 1
1 281 . 16 1 1 A 22 22 TRP H H 22 8.340 7.610 0.730 1
1 282 . 16 1 1 A 22 22 TRP HA H 22 5.000 4.796 0.204 1
1 291 . 16 1 1 A 22 22 TRP C C 22 174.200 176.855 -2.655 1
1 292 . 16 1 1 A 22 22 TRP CA C 22 57.100 56.089 1.011 1
1 293 . 16 1 1 A 22 22 TRP CB C 22 29.400 28.756 0.644 1
1 299 . 16 1 1 A 22 22 TRP N N 22 118.700 116.683 2.017 1
1 301 . 16 1 1 A 23 23 GLU H H 23 9.030 8.423 0.607 1
1 302 . 16 1 1 A 23 23 GLU HA H 23 4.000 4.265 -0.265 1
1 307 . 16 1 1 A 23 23 GLU C C 23 177.900 177.788 0.112 1
1 308 . 16 1 1 A 23 23 GLU CA C 23 59.100 58.846 0.254 1
1 309 . 16 1 1 A 23 23 GLU CB C 23 29.200 28.999 0.201 1
1 311 . 16 1 1 A 23 23 GLU N N 23 128.400 121.724 6.676 1
1 312 . 16 1 1 A 24 24 LYS H H 24 8.500 7.924 0.576 1
1 313 . 16 1 1 A 24 24 LYS HA H 24 3.890 3.972 -0.082 1
1 322 . 16 1 1 A 24 24 LYS C C 24 175.300 175.998 -0.698 1
1 323 . 16 1 1 A 24 24 LYS CA C 24 57.100 58.092 -0.992 1
1 324 . 16 1 1 A 24 24 LYS CB C 24 32.300 31.801 0.499 1
1 328 . 16 1 1 A 24 24 LYS N N 24 115.100 118.303 -3.203 1
1 329 . 16 1 1 A 25 25 PHE H H 25 7.010 8.068 -1.058 1
1 330 . 16 1 1 A 25 25 PHE HA H 25 4.740 4.978 -0.238 1
1 338 . 16 1 1 A 25 25 PHE C C 25 175.300 174.567 0.733 1
1 339 . 16 1 1 A 25 25 PHE CA C 25 54.300 54.992 -0.692 1
1 340 . 16 1 1 A 25 25 PHE CB C 25 39.200 38.567 0.633 1
1 346 . 16 1 1 A 25 25 PHE N N 25 115.100 117.543 -2.443 1
1 347 . 16 1 1 A 26 26 PRO HA H 26 4.380 4.384 -0.004 1
1 354 . 16 1 1 A 26 26 PRO C C 26 176.900 177.504 -0.604 1
1 355 . 16 1 1 A 26 26 PRO CA C 26 64.900 64.958 -0.058 1
1 356 . 16 1 1 A 26 26 PRO CB C 26 32.200 31.897 0.303 1
1 359 . 16 1 1 A 27 27 ASP H H 27 8.860 8.536 0.324 1
1 360 . 16 1 1 A 27 27 ASP HA H 27 4.810 4.652 0.158 1
1 363 . 16 1 1 A 27 27 ASP C C 27 177.200 175.568 1.632 1
1 364 . 16 1 1 A 27 27 ASP CA C 27 53.900 54.753 -0.853 1
1 365 . 16 1 1 A 27 27 ASP CB C 27 39.900 40.117 -0.217 1
1 366 . 16 1 1 A 27 27 ASP N N 27 114.400 116.132 -1.732 1
1 367 . 16 1 1 A 28 28 TYR H H 28 8.300 8.010 0.290 1
1 368 . 16 1 1 A 28 28 TYR HA H 28 5.500 5.074 0.426 1
1 375 . 16 1 1 A 28 28 TYR C C 28 175.900 175.849 0.051 1
1 376 . 16 1 1 A 28 28 TYR CA C 28 55.600 56.875 -1.275 1
1 377 . 16 1 1 A 28 28 TYR CB C 28 36.400 40.532 -4.132 1
1 382 . 16 1 1 A 28 28 TYR N N 28 123.700 119.997 3.703 1
1 383 . 16 1 1 A 29 29 ALA H H 29 9.240 8.911 0.329 1
1 384 . 16 1 1 A 29 29 ALA HA H 29 5.030 5.210 -0.180 1
1 388 . 16 1 1 A 29 29 ALA C C 29 174.600 175.672 -1.072 1
1 389 . 16 1 1 A 29 29 ALA CA C 29 49.700 50.631 -0.931 1
1 390 . 16 1 1 A 29 29 ALA CB C 29 22.800 22.121 0.679 1
1 391 . 16 1 1 A 29 29 ALA N N 29 126.000 124.422 1.578 1
1 392 . 16 1 1 A 30 30 VAL H H 30 8.530 8.875 -0.345 1
1 393 . 16 1 1 A 30 30 VAL HA H 30 4.250 4.731 -0.481 1
1 401 . 16 1 1 A 30 30 VAL C C 30 173.400 175.024 -1.624 1
1 402 . 16 1 1 A 30 30 VAL CA C 30 60.300 61.287 -0.987 1
1 403 . 16 1 1 A 30 30 VAL CB C 30 34.100 33.043 1.057 1
1 406 . 16 1 1 A 30 30 VAL N N 30 119.700 122.986 -3.286 1
1 407 . 16 1 1 A 31 31 PHE H H 31 8.040 8.755 -0.715 1
1 408 . 16 1 1 A 31 31 PHE HA H 31 4.250 5.149 -0.899 1
1 416 . 16 1 1 A 31 31 PHE C C 31 173.200 175.034 -1.834 1
1 417 . 16 1 1 A 31 31 PHE CA C 31 56.700 56.499 0.201 1
1 418 . 16 1 1 A 31 31 PHE CB C 31 38.500 41.591 -3.091 1
1 424 . 16 1 1 A 31 31 PHE N N 31 124.100 126.167 -2.067 1
1 425 . 16 1 1 A 32 32 ARG H H 32 8.720 8.896 -0.176 1
1 426 . 16 1 1 A 32 32 ARG HA H 32 5.320 4.995 0.325 1
1 434 . 16 1 1 A 32 32 ARG C C 32 176.400 173.749 2.651 1
1 435 . 16 1 1 A 32 32 ARG CA C 32 53.400 54.695 -1.295 1
1 436 . 16 1 1 A 32 32 ARG CB C 32 34.200 33.956 0.244 1
1 440 . 16 1 1 A 32 32 ARG N N 32 122.300 119.375 2.925 1
1 442 . 16 1 1 A 33 33 HIS H H 33 8.560 8.778 -0.218 1
1 443 . 16 1 1 A 33 33 HIS HA H 33 4.710 4.997 -0.287 1
1 446 . 16 1 1 A 33 33 HIS C C 33 176.400 175.559 0.841 1
1 447 . 16 1 1 A 33 33 HIS CA C 33 56.500 54.574 1.926 1
1 448 . 16 1 1 A 33 33 HIS CB C 33 28.900 31.591 -2.691 1
1 449 . 16 1 1 A 33 33 HIS N N 33 119.800 121.060 -1.260 1
1 450 . 16 1 1 A 34 34 SER H H 34 9.160 8.985 0.175 1
1 451 . 16 1 1 A 34 34 SER HA H 34 4.390 4.373 0.017 1
1 454 . 16 1 1 A 34 34 SER C C 34 174.900 175.993 -1.093 1
1 455 . 16 1 1 A 34 34 SER CA C 34 60.400 60.260 0.140 1
1 456 . 16 1 1 A 34 34 SER CB C 34 63.200 63.381 -0.181 1
1 457 . 16 1 1 A 34 34 SER N N 34 118.700 119.413 -0.713 1
1 458 . 16 1 1 A 35 35 ASP H H 35 8.660 8.500 0.160 1
1 459 . 16 1 1 A 35 35 ASP HA H 35 4.570 4.393 0.177 1
1 462 . 16 1 1 A 35 35 ASP C C 35 177.000 177.883 -0.883 1
1 463 . 16 1 1 A 35 35 ASP CA C 35 54.300 57.065 -2.765 1
1 464 . 16 1 1 A 35 35 ASP CB C 35 39.700 40.802 -1.102 1
1 465 . 16 1 1 A 35 35 ASP N N 35 118.200 121.222 -3.022 1
1 466 . 16 1 1 A 36 36 ASN H H 36 7.900 7.923 -0.023 1
1 467 . 16 1 1 A 36 36 ASN HA H 36 4.660 4.894 -0.234 1
1 472 . 16 1 1 A 36 36 ASN C C 36 175.100 175.698 -0.598 1
1 473 . 16 1 1 A 36 36 ASN CA C 36 52.000 53.049 -1.049 1
1 474 . 16 1 1 A 36 36 ASN CB C 36 38.900 40.251 -1.351 1
1 476 . 16 1 1 A 36 36 ASN N N 36 116.200 114.662 1.538 1
1 478 . 16 1 1 A 37 37 ASP H H 37 7.890 8.207 -0.317 1
1 479 . 16 1 1 A 37 37 ASP HA H 37 4.670 4.362 0.308 1
1 482 . 16 1 1 A 37 37 ASP C C 37 175.800 176.702 -0.902 1
1 483 . 16 1 1 A 37 37 ASP CA C 37 55.800 55.706 0.094 1
1 484 . 16 1 1 A 37 37 ASP CB C 37 40.500 40.559 -0.059 1
1 485 . 16 1 1 A 37 37 ASP N N 37 115.300 118.227 -2.927 1
1 486 . 16 1 1 A 38 38 LYS H H 38 8.310 8.194 0.116 1
1 487 . 16 1 1 A 38 38 LYS HA H 38 4.390 4.506 -0.116 1
1 496 . 16 1 1 A 38 38 LYS C C 38 175.300 176.982 -1.682 1
1 497 . 16 1 1 A 38 38 LYS CA C 38 56.700 56.244 0.456 1
1 498 . 16 1 1 A 38 38 LYS CB C 38 32.500 33.618 -1.118 1
1 502 . 16 1 1 A 38 38 LYS N N 38 119.300 115.520 3.780 1
1 503 . 16 1 1 A 39 39 TRP HA H 39 5.000 5.049 -0.049 1
1 512 . 16 1 1 A 39 39 TRP C C 39 176.100 174.445 1.655 1
1 513 . 16 1 1 A 39 39 TRP CA C 39 55.700 55.991 -0.291 1
1 514 . 16 1 1 A 39 39 TRP CB C 39 30.300 29.766 0.534 1
1 521 . 16 1 1 A 40 40 TYR H H 40 9.270 8.557 0.713 1
1 522 . 16 1 1 A 40 40 TYR HA H 40 5.280 5.071 0.209 1
1 525 . 16 1 1 A 40 40 TYR C C 40 175.400 174.049 1.351 1
1 526 . 16 1 1 A 40 40 TYR CA C 40 55.700 55.718 -0.018 1
1 527 . 16 1 1 A 40 40 TYR CB C 40 40.300 40.439 -0.139 1
1 528 . 16 1 1 A 40 40 TYR N N 40 114.000 129.925 -15.925 1
1 529 . 16 1 1 A 41 41 ALA H H 41 7.760 7.994 -0.234 1
1 530 . 16 1 1 A 41 41 ALA HA H 41 5.580 5.017 0.563 1
1 534 . 16 1 1 A 41 41 ALA C C 41 177.300 175.524 1.776 1
1 535 . 16 1 1 A 41 41 ALA CA C 41 52.900 50.969 1.931 1
1 536 . 16 1 1 A 41 41 ALA CB C 41 21.900 22.926 -1.026 1
1 537 . 16 1 1 A 41 41 ALA N N 41 121.500 130.481 -8.981 1
1 538 . 16 1 1 A 42 42 LEU H H 42 8.300 8.654 -0.354 1
1 539 . 16 1 1 A 42 42 LEU HA H 42 5.200 4.867 0.333 1
1 549 . 16 1 1 A 42 42 LEU C C 42 173.300 173.971 -0.671 1
1 550 . 16 1 1 A 42 42 LEU CA C 42 54.100 54.465 -0.365 1
1 551 . 16 1 1 A 42 42 LEU CB C 42 45.900 45.895 0.005 1
1 555 . 16 1 1 A 42 42 LEU N N 42 123.700 122.223 1.477 1
1 556 . 16 1 1 A 43 43 LEU H H 43 9.700 9.349 0.351 1
1 557 . 16 1 1 A 43 43 LEU HA H 43 5.250 5.559 -0.309 1
1 567 . 16 1 1 A 43 43 LEU C C 43 173.300 175.238 -1.938 1
1 568 . 16 1 1 A 43 43 LEU CA C 43 54.000 53.417 0.583 1
1 569 . 16 1 1 A 43 43 LEU CB C 43 46.000 45.355 0.645 1
1 573 . 16 1 1 A 43 43 LEU N N 43 130.400 128.677 1.723 1
1 574 . 16 1 1 A 44 44 MET H H 44 8.800 8.397 0.403 1
1 575 . 16 1 1 A 44 44 MET HA H 44 4.420 4.678 -0.258 1
1 583 . 16 1 1 A 44 44 MET C C 44 172.500 173.152 -0.652 1
1 584 . 16 1 1 A 44 44 MET CA C 44 55.000 53.739 1.261 1
1 585 . 16 1 1 A 44 44 MET CB C 44 39.100 34.849 4.251 1
1 588 . 16 1 1 A 44 44 MET N N 44 122.800 122.711 0.089 1
1 589 . 16 1 1 A 45 45 ASP H H 45 7.960 8.180 -0.220 1
1 590 . 16 1 1 A 45 45 ASP HA H 45 5.490 5.315 0.175 1
1 593 . 16 1 1 A 45 45 ASP C C 45 175.200 175.642 -0.442 1
1 594 . 16 1 1 A 45 45 ASP CA C 45 51.900 53.477 -1.577 1
1 595 . 16 1 1 A 45 45 ASP CB C 45 40.800 41.725 -0.925 1
1 596 . 16 1 1 A 45 45 ASP N N 45 119.400 118.653 0.747 1
1 597 . 16 1 1 A 46 46 ILE H H 46 8.800 8.316 0.484 1
1 598 . 16 1 1 A 46 46 ILE HA H 46 4.870 4.885 -0.015 1
1 608 . 16 1 1 A 46 46 ILE CA C 46 57.700 57.124 0.576 1
1 609 . 16 1 1 A 46 46 ILE CB C 46 40.100 39.816 0.284 1
1 613 . 16 1 1 A 46 46 ILE N N 46 117.400 118.080 -0.680 1
1 614 . 16 1 1 A 47 47 PRO HA H 47 4.420 4.456 -0.036 1
1 621 . 16 1 1 A 47 47 PRO C C 47 177.800 177.323 0.477 1
1 622 . 16 1 1 A 47 47 PRO CA C 47 63.000 63.030 -0.030 1
1 623 . 16 1 1 A 47 47 PRO CB C 47 31.900 32.617 -0.717 1
1 626 . 16 1 1 A 48 48 ALA H H 48 8.550 8.469 0.081 1
1 627 . 16 1 1 A 48 48 ALA HA H 48 3.550 3.970 -0.420 1
1 631 . 16 1 1 A 48 48 ALA C C 48 179.200 178.696 0.504 1
1 632 . 16 1 1 A 48 48 ALA CA C 48 55.200 54.668 0.532 1
1 633 . 16 1 1 A 48 48 ALA CB C 48 17.700 18.186 -0.486 1
1 634 . 16 1 1 A 48 48 ALA N N 48 130.100 126.758 3.342 1
1 635 . 16 1 1 A 49 49 GLU H H 49 8.700 8.368 0.332 1
1 636 . 16 1 1 A 49 49 GLU HA H 49 4.180 4.318 -0.138 1
1 641 . 16 1 1 A 49 49 GLU C C 49 179.800 177.193 2.607 1
1 642 . 16 1 1 A 49 49 GLU CA C 49 58.200 57.882 0.318 1
1 643 . 16 1 1 A 49 49 GLU CB C 49 28.200 28.214 -0.014 1
1 645 . 16 1 1 A 49 49 GLU N N 49 114.900 115.488 -0.588 1
1 646 . 16 1 1 A 50 50 LYS H H 50 7.910 7.692 0.218 1
1 647 . 16 1 1 A 50 50 LYS HA H 50 4.060 4.044 0.016 1
1 656 . 16 1 1 A 50 50 LYS C C 50 178.100 177.608 0.492 1
1 657 . 16 1 1 A 50 50 LYS CA C 50 56.900 57.234 -0.334 1
1 658 . 16 1 1 A 50 50 LYS CB C 50 31.700 32.025 -0.325 1
1 662 . 16 1 1 A 50 50 LYS N N 50 118.100 117.897 0.203 1
1 663 . 16 1 1 A 51 51 ILE H H 51 7.190 7.028 0.162 1
1 664 . 16 1 1 A 51 51 ILE HA H 51 4.490 4.048 0.442 1
1 674 . 16 1 1 A 51 51 ILE C C 51 175.300 176.421 -1.121 1
1 675 . 16 1 1 A 51 51 ILE CA C 51 60.100 59.962 0.138 1
1 676 . 16 1 1 A 51 51 ILE CB C 51 37.400 37.352 0.048 1
1 680 . 16 1 1 A 51 51 ILE N N 51 109.000 112.665 -3.665 1
1 681 . 16 1 1 A 52 52 GLY H H 52 7.370 7.818 -0.448 1
1 682 . 16 1 1 A 52 52 GLY HA2 H 52 4.050 3.837 0.213 1
1 683 . 16 1 1 A 52 52 GLY HA3 H 52 3.730 3.869 -0.139 1
1 684 . 16 1 1 A 52 52 GLY C C 52 174.200 173.972 0.228 1
1 685 . 16 1 1 A 52 52 GLY CA C 52 46.100 44.868 1.232 1
1 686 . 16 1 1 A 52 52 GLY N N 52 106.900 110.514 -3.614 1
1 687 . 16 1 1 A 53 53 ILE H H 53 7.260 7.413 -0.153 1
1 688 . 16 1 1 A 53 53 ILE HA H 53 4.040 3.954 0.086 1
1 698 . 16 1 1 A 53 53 ILE C C 53 174.700 176.398 -1.698 1
1 699 . 16 1 1 A 53 53 ILE CA C 53 60.500 60.666 -0.166 1
1 700 . 16 1 1 A 53 53 ILE CB C 53 38.700 37.358 1.342 1
1 704 . 16 1 1 A 53 53 ILE N N 53 121.900 122.328 -0.428 1
1 705 . 16 1 1 A 54 54 ASN H H 54 8.280 9.204 -0.924 1
1 706 . 16 1 1 A 54 54 ASN HA H 54 4.540 4.627 -0.087 1
1 711 . 16 1 1 A 54 54 ASN C C 54 175.400 176.115 -0.715 1
1 712 . 16 1 1 A 54 54 ASN CA C 54 53.700 54.178 -0.478 1
1 713 . 16 1 1 A 54 54 ASN CB C 54 39.000 38.196 0.804 1
1 715 . 16 1 1 A 54 54 ASN N N 54 123.300 125.933 -2.633 1
1 717 . 16 1 1 A 55 55 GLY H H 55 8.240 8.025 0.215 1
1 718 . 16 1 1 A 55 55 GLY HA2 H 55 4.230 4.025 0.205 1
1 719 . 16 1 1 A 55 55 GLY HA3 H 55 3.740 4.032 -0.292 1
1 720 . 16 1 1 A 55 55 GLY C C 55 173.200 174.311 -1.111 1
1 721 . 16 1 1 A 55 55 GLY CA C 55 44.800 44.877 -0.077 1
1 722 . 16 1 1 A 55 55 GLY N N 55 110.200 108.384 1.816 1
1 723 . 16 1 1 A 56 56 ASP H H 56 8.320 8.752 -0.432 1
1 724 . 16 1 1 A 56 56 ASP HA H 56 4.700 4.758 -0.058 1
1 727 . 16 1 1 A 56 56 ASP C C 56 175.800 175.547 0.253 1
1 728 . 16 1 1 A 56 56 ASP CA C 56 53.400 54.146 -0.746 1
1 729 . 16 1 1 A 56 56 ASP CB C 56 40.500 41.300 -0.800 1
1 730 . 16 1 1 A 56 56 ASP N N 56 119.000 122.127 -3.127 1
1 731 . 16 1 1 A 57 57 LYS H H 57 7.780 7.612 0.168 1
1 732 . 16 1 1 A 57 57 LYS HA H 57 4.400 4.548 -0.148 1
1 741 . 16 1 1 A 57 57 LYS C C 57 175.700 176.673 -0.973 1
1 742 . 16 1 1 A 57 57 LYS CA C 57 55.600 55.643 -0.043 1
1 743 . 16 1 1 A 57 57 LYS CB C 57 33.700 33.696 0.004 1
1 747 . 16 1 1 A 57 57 LYS N N 57 119.500 121.918 -2.418 1
1 748 . 16 1 1 A 58 58 ARG H H 58 8.410 8.555 -0.145 1
1 749 . 16 1 1 A 58 58 ARG HA H 58 4.740 4.452 0.288 1
1 757 . 16 1 1 A 58 58 ARG C C 58 176.200 176.310 -0.110 1
1 758 . 16 1 1 A 58 58 ARG CA C 58 55.300 56.298 -0.998 1
1 759 . 16 1 1 A 58 58 ARG CB C 58 31.700 30.818 0.882 1
1 763 . 16 1 1 A 58 58 ARG N N 58 120.900 124.995 -4.095 1
1 765 . 16 1 1 A 59 59 VAL H H 59 9.030 8.530 0.500 1
1 766 . 16 1 1 A 59 59 VAL HA H 59 4.570 5.083 -0.513 1
1 774 . 16 1 1 A 59 59 VAL C C 59 173.900 173.829 0.071 1
1 775 . 16 1 1 A 59 59 VAL CA C 59 58.700 58.547 0.153 1
1 776 . 16 1 1 A 59 59 VAL CB C 59 34.700 35.652 -0.952 1
1 779 . 16 1 1 A 59 59 VAL N N 59 115.600 118.448 -2.848 1
1 780 . 16 1 1 A 60 60 ASP H H 60 8.290 8.849 -0.559 1
1 781 . 16 1 1 A 60 60 ASP HA H 60 5.560 5.211 0.349 1
1 784 . 16 1 1 A 60 60 ASP C C 60 175.800 175.656 0.144 1
1 785 . 16 1 1 A 60 60 ASP CA C 60 53.600 53.696 -0.096 1
1 786 . 16 1 1 A 60 60 ASP CB C 60 43.100 42.140 0.960 1
1 787 . 16 1 1 A 60 60 ASP N N 60 120.700 121.342 -0.642 1
1 788 . 16 1 1 A 61 61 VAL H H 61 9.080 8.547 0.533 1
1 789 . 16 1 1 A 61 61 VAL HA H 61 5.150 5.234 -0.084 1
1 797 . 16 1 1 A 61 61 VAL C C 61 173.800 174.310 -0.510 1
1 798 . 16 1 1 A 61 61 VAL CA C 61 57.600 59.139 -1.539 1
1 799 . 16 1 1 A 61 61 VAL CB C 61 35.500 35.846 -0.346 1
1 802 . 16 1 1 A 61 61 VAL N N 61 115.200 117.145 -1.945 1
1 803 . 16 1 1 A 62 62 ILE H H 62 8.530 8.368 0.162 1
1 804 . 16 1 1 A 62 62 ILE HA H 62 5.550 5.192 0.358 1
1 814 . 16 1 1 A 62 62 ILE CA C 62 57.800 58.488 -0.688 1
1 815 . 16 1 1 A 62 62 ILE CB C 62 41.700 41.596 0.104 1
1 819 . 16 1 1 A 62 62 ILE N N 62 112.000 118.544 -6.544 1
1 820 . 16 1 1 A 64 64 LEU HA H 64 4.960 4.978 -0.018 1
1 830 . 16 1 1 A 64 64 LEU C C 64 173.100 174.251 -1.151 1
1 831 . 16 1 1 A 64 64 LEU CA C 64 53.500 54.044 -0.544 1
1 832 . 16 1 1 A 64 64 LEU CB C 64 47.000 46.081 0.919 1
1 836 . 16 1 1 A 65 65 LYS H H 65 8.470 8.825 -0.355 1
1 837 . 16 1 1 A 65 65 LYS HA H 65 3.760 5.078 -1.318 1
1 846 . 16 1 1 A 65 65 LYS C C 65 175.100 176.304 -1.204 1
1 847 . 16 1 1 A 65 65 LYS CA C 65 55.700 56.247 -0.547 1
1 848 . 16 1 1 A 65 65 LYS CB C 65 33.600 33.346 0.254 1
1 852 . 16 1 1 A 65 65 LYS N N 65 126.700 128.577 -1.877 1
1 853 . 16 1 1 A 66 66 VAL H H 66 7.840 8.395 -0.555 1
1 854 . 16 1 1 A 66 66 VAL HA H 66 4.410 4.816 -0.406 1
1 862 . 16 1 1 A 66 66 VAL C C 66 175.300 174.444 0.856 1
1 863 . 16 1 1 A 66 66 VAL CA C 66 58.300 58.812 -0.512 1
1 864 . 16 1 1 A 66 66 VAL CB C 66 36.400 35.959 0.441 1
1 867 . 16 1 1 A 66 66 VAL N N 66 116.000 118.976 -2.976 1
1 868 . 16 1 1 A 67 67 GLN H H 67 8.620 8.611 0.009 1
1 869 . 16 1 1 A 67 67 GLN HA H 67 4.350 4.454 -0.104 1
1 876 . 16 1 1 A 67 67 GLN CA C 67 54.900 54.118 0.782 1
1 877 . 16 1 1 A 67 67 GLN CB C 67 27.600 28.467 -0.867 1
1 880 . 16 1 1 A 67 67 GLN N N 67 123.000 121.065 1.935 1
1 882 . 16 1 1 A 68 68 PRO HA H 68 4.200 4.212 -0.012 1
1 889 . 16 1 1 A 68 68 PRO C C 68 179.400 176.885 2.515 1
1 890 . 16 1 1 A 68 68 PRO CA C 68 65.100 64.416 0.684 1
1 891 . 16 1 1 A 68 68 PRO CB C 68 31.700 31.803 -0.103 1
1 894 . 16 1 1 A 69 69 GLU H H 69 9.620 8.713 0.907 1
1 895 . 16 1 1 A 69 69 GLU HA H 69 4.190 4.207 -0.017 1
1 900 . 16 1 1 A 69 69 GLU C C 69 177.100 177.507 -0.407 1
1 901 . 16 1 1 A 69 69 GLU CA C 69 58.600 57.788 0.812 1
1 902 . 16 1 1 A 69 69 GLU CB C 69 28.100 30.007 -1.907 1
1 904 . 16 1 1 A 69 69 GLU N N 69 116.900 115.376 1.524 1
1 905 . 16 1 1 A 70 70 LEU H H 70 7.940 7.696 0.244 1
1 906 . 16 1 1 A 70 70 LEU HA H 70 4.460 4.386 0.074 1
1 916 . 16 1 1 A 70 70 LEU C C 70 177.600 177.938 -0.338 1
1 917 . 16 1 1 A 70 70 LEU CA C 70 54.500 54.925 -0.425 1
1 918 . 16 1 1 A 70 70 LEU CB C 70 42.800 42.266 0.534 1
1 922 . 16 1 1 A 70 70 LEU N N 70 118.700 119.770 -1.070 1
1 923 . 16 1 1 A 71 71 VAL H H 71 7.080 7.577 -0.497 1
1 924 . 16 1 1 A 71 71 VAL HA H 71 3.210 3.736 -0.526 1
1 932 . 16 1 1 A 71 71 VAL C C 71 176.800 177.714 -0.914 1
1 933 . 16 1 1 A 71 71 VAL CA C 71 67.700 65.868 1.832 1
1 934 . 16 1 1 A 71 71 VAL CB C 71 32.000 31.156 0.844 1
1 937 . 16 1 1 A 71 71 VAL N N 71 120.300 120.109 0.191 1
1 938 . 16 1 1 A 72 72 GLY H H 72 8.540 8.223 0.317 1
1 939 . 16 1 1 A 72 72 GLY HA2 H 72 3.770 3.786 -0.016 1
1 940 . 16 1 1 A 72 72 GLY HA3 H 72 3.630 3.788 -0.158 1
1 941 . 16 1 1 A 72 72 GLY C C 72 176.300 176.555 -0.255 1
1 942 . 16 1 1 A 72 72 GLY CA C 72 47.000 47.525 -0.525 1
1 943 . 16 1 1 A 72 72 GLY N N 72 105.300 109.105 -3.805 1
1 944 . 16 1 1 A 73 73 SER H H 73 7.870 8.049 -0.179 1
1 945 . 16 1 1 A 73 73 SER HA H 73 4.170 4.116 0.054 1
1 948 . 16 1 1 A 73 73 SER C C 73 178.000 176.299 1.701 1
1 949 . 16 1 1 A 73 73 SER CA C 73 60.600 62.621 -2.021 1
1 950 . 16 1 1 A 73 73 SER CB C 73 62.700 62.873 -0.173 1
1 951 . 16 1 1 A 73 73 SER N N 73 115.700 119.505 -3.805 1
1 952 . 16 1 1 A 74 74 LEU H H 74 8.340 7.729 0.611 1
1 953 . 16 1 1 A 74 74 LEU HA H 74 4.000 4.135 -0.135 1
1 963 . 16 1 1 A 74 74 LEU C C 74 178.400 178.627 -0.227 1
1 964 . 16 1 1 A 74 74 LEU CA C 74 57.900 57.362 0.538 1
1 965 . 16 1 1 A 74 74 LEU CB C 74 41.700 42.222 -0.522 1
1 969 . 16 1 1 A 74 74 LEU N N 74 124.600 122.158 2.442 1
1 970 . 16 1 1 A 75 75 ARG H H 75 7.850 8.293 -0.443 1
1 971 . 16 1 1 A 75 75 ARG HA H 75 3.750 4.203 -0.453 1
1 979 . 16 1 1 A 75 75 ARG C C 75 176.500 177.915 -1.415 1
1 980 . 16 1 1 A 75 75 ARG CA C 75 57.800 58.162 -0.362 1
1 981 . 16 1 1 A 75 75 ARG CB C 75 29.500 29.849 -0.349 1
1 985 . 16 1 1 A 75 75 ARG N N 75 113.300 118.984 -5.684 1
1 987 . 16 1 1 A 76 76 LYS H H 76 7.100 7.627 -0.527 1
1 988 . 16 1 1 A 76 76 LYS HA H 76 4.210 4.288 -0.078 1
1 997 . 16 1 1 A 76 76 LYS C C 76 177.000 176.689 0.311 1
1 998 . 16 1 1 A 76 76 LYS CA C 76 56.500 58.029 -1.529 1
1 999 . 16 1 1 A 76 76 LYS CB C 76 32.700 32.197 0.503 1
1 1003 . 16 1 1 A 76 76 LYS N N 76 116.600 115.034 1.566 1
1 1004 . 16 1 1 A 77 77 LYS H H 77 7.830 7.200 0.630 1
1 1005 . 16 1 1 A 77 77 LYS HA H 77 4.470 4.537 -0.067 1
1 1014 . 16 1 1 A 77 77 LYS CA C 77 54.500 53.407 1.093 1
1 1015 . 16 1 1 A 77 77 LYS CB C 77 31.800 32.413 -0.613 1
1 1019 . 16 1 1 A 77 77 LYS N N 77 122.900 121.504 1.396 1
1 1020 . 16 1 1 A 78 78 PRO HA H 78 4.190 4.170 0.020 1
1 1027 . 16 1 1 A 78 78 PRO C C 78 176.600 177.213 -0.613 1
1 1028 . 16 1 1 A 78 78 PRO CA C 78 63.700 63.561 0.139 1
1 1029 . 16 1 1 A 78 78 PRO CB C 78 31.900 31.604 0.296 1
1 1032 . 16 1 1 A 79 79 GLY H H 79 8.290 8.584 -0.294 1
1 1033 . 16 1 1 A 79 79 GLY HA2 H 79 4.350 3.872 0.478 1
1 1034 . 16 1 1 A 79 79 GLY HA3 H 79 3.590 3.902 -0.312 1
1 1035 . 16 1 1 A 79 79 GLY C C 79 172.000 173.740 -1.740 1
1 1036 . 16 1 1 A 79 79 GLY CA C 79 45.500 45.243 0.257 1
1 1037 . 16 1 1 A 79 79 GLY N N 79 109.300 111.099 -1.799 1
1 1038 . 16 1 1 A 80 80 ILE H H 80 7.300 7.100 0.200 1
1 1039 . 16 1 1 A 80 80 ILE HA H 80 4.770 4.041 0.729 1
1 1049 . 16 1 1 A 80 80 ILE C C 80 174.200 174.855 -0.655 1
1 1050 . 16 1 1 A 80 80 ILE CA C 80 60.500 60.990 -0.490 1
1 1051 . 16 1 1 A 80 80 ILE CB C 80 37.000 38.858 -1.858 1
1 1055 . 16 1 1 A 80 80 ILE N N 80 119.200 122.679 -3.479 1
1 1056 . 16 1 1 A 81 81 TYR H H 81 9.490 8.537 0.953 1
1 1057 . 16 1 1 A 81 81 TYR HA H 81 4.840 4.923 -0.083 1
1 1064 . 16 1 1 A 81 81 TYR CA C 81 56.800 55.749 1.051 1
1 1065 . 16 1 1 A 81 81 TYR CB C 81 39.800 41.085 -1.285 1
1 1070 . 16 1 1 A 81 81 TYR N N 81 126.100 125.792 0.308 1
1 1071 . 16 1 1 A 82 82 PRO HA H 82 4.610 4.570 0.040 1
1 1078 . 16 1 1 A 82 82 PRO CA C 82 62.300 63.031 -0.731 1
1 1079 . 16 1 1 A 82 82 PRO CB C 82 32.000 32.070 -0.070 1
1 1082 . 16 1 1 A 83 83 ALA HA H 83 4.140 4.760 -0.620 1
1 1086 . 16 1 1 A 84 84 TYR HA H 84 4.470 4.650 -0.180 1
1 1093 . 16 1 1 A 84 84 TYR CA C 84 57.500 57.560 -0.060 1
1 1094 . 16 1 1 A 84 84 TYR CB C 84 39.500 39.136 0.364 1
1 1099 . 16 1 1 A 87 87 ASN HA H 87 4.410 4.377 0.033 1
1 1104 . 16 1 1 A 87 87 ASN C C 87 176.500 174.894 1.606 1
1 1105 . 16 1 1 A 87 87 ASN CA C 87 55.100 55.202 -0.102 1
1 1106 . 16 1 1 A 87 87 ASN CB C 87 40.600 36.996 3.604 1
1 1109 . 16 1 1 A 88 88 LYS H H 88 8.710 8.633 0.077 1
1 1110 . 16 1 1 A 88 88 LYS HA H 88 4.320 4.476 -0.156 1
1 1119 . 16 1 1 A 88 88 LYS C C 88 177.600 177.966 -0.366 1
1 1120 . 16 1 1 A 88 88 LYS CA C 88 58.100 57.788 0.312 1
1 1121 . 16 1 1 A 88 88 LYS CB C 88 33.000 35.100 -2.100 1
1 1125 . 16 1 1 A 88 88 LYS N N 88 123.800 121.543 2.257 1
1 1126 . 16 1 1 A 89 89 GLU H H 89 8.390 8.691 -0.301 1
1 1127 . 16 1 1 A 89 89 GLU HA H 89 4.270 4.004 0.266 1
1 1132 . 16 1 1 A 89 89 GLU C C 89 176.500 179.500 -3.000 1
1 1133 . 16 1 1 A 89 89 GLU CA C 89 57.800 58.955 -1.155 1
1 1134 . 16 1 1 A 89 89 GLU CB C 89 30.100 29.381 0.719 1
1 1136 . 16 1 1 A 89 89 GLU N N 89 117.000 119.438 -2.438 1
1 1137 . 16 1 1 A 90 90 HIS H H 90 7.600 7.807 -0.207 1
1 1138 . 16 1 1 A 90 90 HIS HA H 90 4.580 3.963 0.617 1
1 1142 . 16 1 1 A 90 90 HIS C C 90 170.800 174.938 -4.138 1
1 1143 . 16 1 1 A 90 90 HIS CA C 90 55.500 58.304 -2.804 1
1 1144 . 16 1 1 A 90 90 HIS CB C 90 32.200 28.941 3.259 1
1 1145 . 16 1 1 A 90 90 HIS N N 90 111.500 117.205 -5.705 1
1 1146 . 16 1 1 A 91 91 TRP H H 91 7.650 7.543 0.107 1
1 1147 . 16 1 1 A 91 91 TRP HA H 91 5.610 5.252 0.358 1
1 1156 . 16 1 1 A 91 91 TRP C C 91 174.600 175.795 -1.195 1
1 1157 . 16 1 1 A 91 91 TRP CA C 91 55.500 56.496 -0.996 1
1 1158 . 16 1 1 A 91 91 TRP CB C 91 31.700 32.115 -0.415 1
1 1163 . 16 1 1 A 91 91 TRP N N 91 117.400 116.428 0.972 1
1 1165 . 16 1 1 A 92 92 ILE H H 92 9.100 8.724 0.376 1
1 1166 . 16 1 1 A 92 92 ILE HA H 92 4.630 4.867 -0.237 1
1 1176 . 16 1 1 A 92 92 ILE C C 92 174.500 174.616 -0.116 1
1 1177 . 16 1 1 A 92 92 ILE CA C 92 59.800 59.908 -0.108 1
1 1178 . 16 1 1 A 92 92 ILE CB C 92 42.500 42.342 0.158 1
1 1182 . 16 1 1 A 92 92 ILE N N 92 111.700 122.211 -10.511 1
1 1183 . 16 1 1 A 93 93 THR H H 93 8.570 8.542 0.028 1
1 1184 . 16 1 1 A 93 93 THR HA H 93 4.250 4.777 -0.527 1
1 1190 . 16 1 1 A 93 93 THR CA C 93 61.800 62.307 -0.507 1
1 1191 . 16 1 1 A 93 93 THR CB C 93 70.200 69.910 0.290 1
1 1193 . 16 1 1 A 93 93 THR N N 93 117.600 123.250 -5.650 1
1 1194 . 16 1 1 A 94 94 VAL HA H 94 4.680 4.821 -0.141 1
1 1202 . 16 1 1 A 94 94 VAL C C 94 175.400 174.781 0.619 1
1 1203 . 16 1 1 A 94 94 VAL CA C 94 60.700 60.761 -0.061 1
1 1204 . 16 1 1 A 94 94 VAL CB C 94 34.100 34.483 -0.383 1
1 1207 . 16 1 1 A 95 95 LEU H H 95 8.080 8.575 -0.495 1
1 1208 . 16 1 1 A 95 95 LEU HA H 95 4.330 4.576 -0.246 1
1 1218 . 16 1 1 A 95 95 LEU C C 95 176.400 176.140 0.260 1
1 1219 . 16 1 1 A 95 95 LEU CA C 95 55.000 54.426 0.574 1
1 1220 . 16 1 1 A 95 95 LEU CB C 95 44.300 41.848 2.452 1
1 1224 . 16 1 1 A 95 95 LEU N N 95 127.500 127.763 -0.263 1
1 1225 . 16 1 1 A 96 96 LEU H H 96 8.050 8.132 -0.082 1
1 1226 . 16 1 1 A 96 96 LEU HA H 96 4.150 4.030 0.120 1
1 1236 . 16 1 1 A 96 96 LEU C C 96 177.400 178.430 -1.030 1
1 1237 . 16 1 1 A 96 96 LEU CA C 96 56.500 58.087 -1.587 1
1 1238 . 16 1 1 A 96 96 LEU CB C 96 40.500 41.473 -0.973 1
1 1242 . 16 1 1 A 96 96 LEU N N 96 128.100 127.030 1.070 1
1 1243 . 16 1 1 A 97 97 ASN H H 97 8.690 8.224 0.466 1
1 1244 . 16 1 1 A 97 97 ASN HA H 97 4.740 4.746 -0.006 1
1 1249 . 16 1 1 A 97 97 ASN C C 97 174.900 175.970 -1.070 1
1 1250 . 16 1 1 A 97 97 ASN CA C 97 53.000 54.439 -1.439 1
1 1251 . 16 1 1 A 97 97 ASN CB C 97 37.700 38.434 -0.734 1
1 1252 . 16 1 1 A 97 97 ASN N N 97 117.200 115.876 1.324 1
1 1254 . 16 1 1 A 98 98 GLY H H 98 7.820 8.069 -0.249 1
1 1255 . 16 1 1 A 98 98 GLY HA2 H 98 4.470 4.111 0.359 1
1 1256 . 16 1 1 A 98 98 GLY HA3 H 98 3.740 4.114 -0.374 1
1 1257 . 16 1 1 A 98 98 GLY C C 98 174.900 174.694 0.206 1
1 1258 . 16 1 1 A 98 98 GLY CA C 98 44.900 44.194 0.706 1
1 1259 . 16 1 1 A 98 98 GLY N N 98 108.600 108.003 0.597 1
1 1260 . 16 1 1 A 99 99 PRO HA H 99 4.380 4.587 -0.207 1
1 1267 . 16 1 1 A 99 99 PRO C C 99 177.400 176.356 1.044 1
1 1268 . 16 1 1 A 99 99 PRO CA C 99 63.900 63.499 0.401 1
1 1269 . 16 1 1 A 99 99 PRO CB C 99 32.400 32.260 0.140 1
1 1272 . 16 1 1 A 100 100 LEU H H 100 7.750 7.435 0.315 1
1 1273 . 16 1 1 A 100 100 LEU HA H 100 4.280 4.208 0.072 1
1 1283 . 16 1 1 A 100 100 LEU C C 100 177.400 176.995 0.405 1
1 1284 . 16 1 1 A 100 100 LEU CA C 100 55.800 54.809 0.991 1
1 1285 . 16 1 1 A 100 100 LEU CB C 100 42.600 42.143 0.457 1
1 1289 . 16 1 1 A 100 100 LEU N N 100 120.300 119.887 0.413 1
1 1290 . 16 1 1 A 101 101 GLY H H 101 8.620 8.339 0.281 1
1 1291 . 16 1 1 A 101 101 GLY HA2 H 101 4.110 4.141 -0.031 1
1 1292 . 16 1 1 A 101 101 GLY HA3 H 101 3.890 4.145 -0.255 1
1 1293 . 16 1 1 A 101 101 GLY C C 101 173.600 174.815 -1.215 1
1 1294 . 16 1 1 A 101 101 GLY CA C 101 44.300 44.563 -0.263 1
1 1295 . 16 1 1 A 101 101 GLY N N 101 110.600 110.696 -0.096 1
1 1296 . 16 1 1 A 102 102 ALA H H 102 8.310 8.992 -0.682 1
1 1297 . 16 1 1 A 102 102 ALA HA H 102 3.520 3.866 -0.346 1
1 1301 . 16 1 1 A 102 102 ALA C C 102 178.900 179.761 -0.861 1
1 1302 . 16 1 1 A 102 102 ALA CA C 102 55.400 54.862 0.538 1
1 1303 . 16 1 1 A 102 102 ALA CB C 102 18.600 18.359 0.241 1
1 1304 . 16 1 1 A 102 102 ALA N N 102 122.000 124.034 -2.034 1
1 1305 . 16 1 1 A 103 103 LYS H H 103 8.360 8.073 0.287 1
1 1306 . 16 1 1 A 103 103 LYS HA H 103 3.730 4.220 -0.490 1
1 1315 . 16 1 1 A 103 103 LYS C C 103 179.400 179.675 -0.275 1
1 1316 . 16 1 1 A 103 103 LYS CA C 103 60.000 59.673 0.327 1
1 1317 . 16 1 1 A 103 103 LYS CB C 103 31.900 32.245 -0.345 1
1 1321 . 16 1 1 A 103 103 LYS N N 103 116.500 117.378 -0.878 1
1 1322 . 16 1 1 A 104 104 GLU H H 104 7.890 8.115 -0.225 1
1 1323 . 16 1 1 A 104 104 GLU HA H 104 4.080 4.069 0.011 1
1 1328 . 16 1 1 A 104 104 GLU C C 104 179.300 179.467 -0.167 1
1 1329 . 16 1 1 A 104 104 GLU CA C 104 59.500 59.099 0.401 1
1 1330 . 16 1 1 A 104 104 GLU CB C 104 29.100 29.643 -0.543 1
1 1332 . 16 1 1 A 104 104 GLU N N 104 120.000 120.157 -0.157 1
1 1333 . 16 1 1 A 105 105 ILE H H 105 8.170 7.867 0.303 1
1 1334 . 16 1 1 A 105 105 ILE HA H 105 3.520 3.649 -0.129 1
1 1344 . 16 1 1 A 105 105 ILE C C 105 178.100 178.093 0.007 1
1 1345 . 16 1 1 A 105 105 ILE CA C 105 66.700 65.289 1.411 1
1 1346 . 16 1 1 A 105 105 ILE CB C 105 37.700 37.603 0.097 1
1 1350 . 16 1 1 A 105 105 ILE N N 105 119.500 120.156 -0.656 1
1 1351 . 16 1 1 A 106 106 HIS H H 106 8.930 8.095 0.835 1
1 1352 . 16 1 1 A 106 106 HIS HA H 106 4.230 4.302 -0.072 1
1 1356 . 16 1 1 A 106 106 HIS C C 106 178.000 177.822 0.178 1
1 1357 . 16 1 1 A 106 106 HIS CA C 106 57.600 59.874 -2.274 1
1 1358 . 16 1 1 A 106 106 HIS CB C 106 28.400 29.502 -1.102 1
1 1360 . 16 1 1 A 106 106 HIS N N 106 116.700 120.261 -3.561 1
1 1361 . 16 1 1 A 107 107 SER H H 107 8.060 8.171 -0.111 1
1 1362 . 16 1 1 A 107 107 SER HA H 107 4.310 4.160 0.150 1
1 1365 . 16 1 1 A 107 107 SER C C 107 175.900 176.414 -0.514 1
1 1366 . 16 1 1 A 107 107 SER CA C 107 62.200 61.863 0.337 1
1 1367 . 16 1 1 A 107 107 SER CB C 107 62.500 63.043 -0.543 1
1 1368 . 16 1 1 A 107 107 SER N N 107 117.000 115.397 1.603 1
1 1369 . 16 1 1 A 108 108 LEU H H 108 7.950 8.121 -0.171 1
1 1370 . 16 1 1 A 108 108 LEU HA H 108 4.180 4.048 0.132 1
1 1380 . 16 1 1 A 108 108 LEU C C 108 180.600 179.044 1.556 1
1 1381 . 16 1 1 A 108 108 LEU CA C 108 57.900 57.995 -0.095 1
1 1382 . 16 1 1 A 108 108 LEU CB C 108 42.500 41.837 0.663 1
1 1386 . 16 1 1 A 108 108 LEU N N 108 121.800 120.366 1.434 1
1 1387 . 16 1 1 A 109 109 ILE H H 109 8.730 8.292 0.438 1
1 1388 . 16 1 1 A 109 109 ILE HA H 109 3.830 3.632 0.198 1
1 1398 . 16 1 1 A 109 109 ILE C C 109 176.800 178.338 -1.538 1
1 1399 . 16 1 1 A 109 109 ILE CA C 109 65.800 66.082 -0.282 1
1 1400 . 16 1 1 A 109 109 ILE CB C 109 38.600 38.044 0.556 1
1 1404 . 16 1 1 A 109 109 ILE N N 109 120.200 120.309 -0.109 1
1 1405 . 16 1 1 A 110 110 GLU H H 110 7.960 8.552 -0.592 1
1 1406 . 16 1 1 A 110 110 GLU HA H 110 4.280 4.122 0.158 1
1 1411 . 16 1 1 A 110 110 GLU C C 110 178.500 178.572 -0.072 1
1 1412 . 16 1 1 A 110 110 GLU CA C 110 58.800 59.723 -0.923 1
1 1413 . 16 1 1 A 110 110 GLU CB C 110 28.200 28.973 -0.773 1
1 1415 . 16 1 1 A 110 110 GLU N N 110 120.800 121.417 -0.617 1
1 1416 . 16 1 1 A 111 111 ASP H H 111 8.290 8.138 0.152 1
1 1417 . 16 1 1 A 111 111 ASP HA H 111 4.470 4.493 -0.023 1
1 1420 . 16 1 1 A 111 111 ASP C C 111 178.200 178.712 -0.512 1
1 1421 . 16 1 1 A 111 111 ASP CA C 111 57.100 57.181 -0.081 1
1 1422 . 16 1 1 A 111 111 ASP CB C 111 39.300 40.159 -0.859 1
1 1423 . 16 1 1 A 111 111 ASP N N 111 119.200 120.712 -1.512 1
1 1424 . 16 1 1 A 112 112 SER H H 112 7.800 8.216 -0.416 1
1 1425 . 16 1 1 A 112 112 SER HA H 112 4.200 4.251 -0.051 1
1 1428 . 16 1 1 A 112 112 SER C C 112 178.600 176.637 1.963 1
1 1429 . 16 1 1 A 112 112 SER CA C 112 61.200 61.427 -0.227 1
1 1430 . 16 1 1 A 112 112 SER CB C 112 64.200 62.468 1.732 1
1 1431 . 16 1 1 A 112 112 SER N N 112 114.700 114.850 -0.150 1
1 1432 . 16 1 1 A 113 113 PHE H H 113 9.160 8.252 0.908 1
1 1433 . 16 1 1 A 113 113 PHE HA H 113 3.210 4.750 -1.540 1
1 1436 . 16 1 1 A 113 113 PHE C C 113 178.100 178.170 -0.070 1
1 1437 . 16 1 1 A 113 113 PHE CA C 113 62.900 61.785 1.115 1
1 1438 . 16 1 1 A 113 113 PHE CB C 113 39.100 39.574 -0.474 1
1 1439 . 16 1 1 A 113 113 PHE N N 113 121.400 124.070 -2.670 1
1 1440 . 16 1 1 A 114 114 GLN H H 114 8.870 8.168 0.702 1
1 1441 . 16 1 1 A 114 114 GLN HA H 114 4.000 3.999 0.001 1
1 1448 . 16 1 1 A 114 114 GLN C C 114 179.700 177.492 2.208 1
1 1449 . 16 1 1 A 114 114 GLN CA C 114 58.300 58.766 -0.466 1
1 1450 . 16 1 1 A 114 114 GLN CB C 114 27.600 28.501 -0.901 1
1 1453 . 16 1 1 A 114 114 GLN N N 114 116.800 118.411 -1.611 1
1 1455 . 16 1 1 A 115 115 LEU H H 115 8.570 7.660 0.910 1
1 1456 . 16 1 1 A 115 115 LEU HA H 115 4.090 4.261 -0.171 1
1 1466 . 16 1 1 A 115 115 LEU C C 115 178.600 177.872 0.728 1
1 1467 . 16 1 1 A 115 115 LEU CA C 115 57.300 55.956 1.344 1
1 1468 . 16 1 1 A 115 115 LEU CB C 115 43.200 42.185 1.015 1
1 1472 . 16 1 1 A 115 115 LEU N N 115 119.800 118.854 0.946 1
1 1473 . 16 1 1 A 116 116 THR H H 116 7.240 7.376 -0.136 1
1 1474 . 16 1 1 A 116 116 THR HA H 116 4.270 4.551 -0.281 1
1 1480 . 16 1 1 A 116 116 THR C C 116 173.200 174.664 -1.464 1
1 1481 . 16 1 1 A 116 116 THR CA C 116 60.700 61.054 -0.354 1
1 1482 . 16 1 1 A 116 116 THR CB C 116 70.800 69.244 1.556 1
1 1484 . 16 1 1 A 116 116 THR N N 116 104.900 106.139 -1.239 1
1 1485 . 16 1 1 A 117 117 ARG H H 117 6.840 7.356 -0.516 1
1 1486 . 16 1 1 A 117 117 ARG HA H 117 3.060 4.225 -1.165 1
1 1494 . 16 1 1 A 117 117 ARG C C 117 175.200 175.797 -0.597 1
1 1495 . 16 1 1 A 117 117 ARG CA C 117 55.900 55.913 -0.013 1
1 1496 . 16 1 1 A 117 117 ARG CB C 117 31.100 30.305 0.795 1
1 1500 . 16 1 1 A 117 117 ARG N N 117 120.900 122.773 -1.873 1
1 1502 . 16 1 1 A 118 118 LEU H H 118 8.380 8.529 -0.149 1
1 1503 . 16 1 1 A 118 118 LEU HA H 118 4.100 4.498 -0.398 1
1 1513 . 16 1 1 A 118 118 LEU C C 118 176.500 176.861 -0.361 1
1 1514 . 16 1 1 A 118 118 LEU CA C 118 55.300 54.231 1.069 1
1 1515 . 16 1 1 A 118 118 LEU CB C 118 42.400 42.822 -0.422 1
1 1519 . 16 1 1 A 118 118 LEU N N 118 122.600 123.831 -1.231 1
1 1520 . 16 1 1 A 119 119 GLU H H 119 8.330 8.913 -0.583 1
1 1521 . 16 1 1 A 119 119 GLU HA H 119 4.160 4.043 0.117 1
1 1526 . 16 1 1 A 119 119 GLU C C 119 175.800 175.159 0.641 1
1 1527 . 16 1 1 A 119 119 GLU CA C 119 56.000 57.247 -1.247 1
1 1528 . 16 1 1 A 119 119 GLU CB C 119 30.300 28.712 1.588 1
1 1530 . 16 1 1 A 119 119 GLU N N 119 124.000 117.839 6.161 1
1 1531 . 16 1 1 A 120 120 HIS H H 120 8.520 8.281 0.239 1
1 1532 . 16 1 1 A 120 120 HIS HA H 120 4.620 4.706 -0.086 1
1 1535 . 16 1 1 A 120 120 HIS C C 120 174.000 174.487 -0.487 1
1 1536 . 16 1 1 A 120 120 HIS CA C 120 55.300 54.481 0.819 1
1 1537 . 16 1 1 A 120 120 HIS CB C 120 29.300 29.596 -0.296 1
1 1538 . 16 1 1 A 120 120 HIS N N 120 120.100 124.949 -4.849 1
1 1539 . 16 1 1 A 121 121 HIS H H 121 8.580 7.716 0.864 1
1 1540 . 16 1 1 A 121 121 HIS HA H 121 4.620 3.719 0.901 1
1 1543 . 16 1 1 A 121 121 HIS C C 121 173.500 174.114 -0.614 1
1 1544 . 16 1 1 A 121 121 HIS CA C 121 55.300 56.778 -1.478 1
1 1545 . 16 1 1 A 121 121 HIS CB C 121 29.200 26.979 2.221 1
1 1546 . 16 1 1 A 121 121 HIS N N 121 120.800 121.137 -0.337 1
1 1547 . 16 1 1 A 122 122 HIS H H 122 8.400 7.856 0.544 1
1 1548 . 16 1 1 A 122 122 HIS HA H 122 4.620 4.720 -0.100 1
1 1551 . 16 1 1 A 122 122 HIS CA C 122 55.300 53.992 1.308 1
1 1552 . 16 1 1 A 122 122 HIS CB C 122 29.200 32.334 -3.134 1
1 1553 . 16 1 1 A 122 122 HIS N N 122 125.700 118.101 7.599 1
1 1554 . 16 1 1 A 123 123 HIS H H 123 8.690 9.334 -0.644 1
1 1555 . 16 1 1 A 123 123 HIS HA H 123 4.640 4.074 0.566 1
1 1558 . 16 1 1 A 123 123 HIS C C 123 174.100 174.418 -0.318 1
1 1559 . 16 1 1 A 123 123 HIS CA C 123 55.300 56.988 -1.688 1
1 1560 . 16 1 1 A 123 123 HIS CB C 123 29.300 28.603 0.697 1
1 1561 . 16 1 1 A 123 123 HIS N N 123 120.200 122.677 -2.477 1
1 1562 . 16 1 1 A 124 124 HIS H H 124 8.710 8.201 0.509 1
1 1563 . 16 1 1 A 124 124 HIS HA H 124 4.640 4.032 0.608 1
1 1566 . 16 1 1 A 124 124 HIS C C 124 174.200 175.184 -0.984 1
1 1567 . 16 1 1 A 124 124 HIS CA C 124 55.300 56.256 -0.956 1
1 1568 . 16 1 1 A 124 124 HIS CB C 124 29.300 28.186 1.114 1
1 14 . 17 1 1 A 2 2 ASN H H 2 8.500 8.916 -0.416 1
1 15 . 17 1 1 A 2 2 ASN HA H 2 4.990 5.046 -0.056 1
1 20 . 17 1 1 A 2 2 ASN C C 2 175.600 176.975 -1.375 1
1 21 . 17 1 1 A 2 2 ASN CA C 2 51.000 52.474 -1.474 1
1 22 . 17 1 1 A 2 2 ASN CB C 2 40.000 39.629 0.371 1
1 24 . 17 1 1 A 2 2 ASN N N 2 122.000 120.770 1.230 1
1 26 . 17 1 1 A 3 3 ARG H H 3 8.950 9.033 -0.083 1
1 27 . 17 1 1 A 3 3 ARG HA H 3 3.850 4.028 -0.178 1
1 35 . 17 1 1 A 3 3 ARG C C 3 175.600 177.755 -2.155 1
1 36 . 17 1 1 A 3 3 ARG CA C 3 60.400 59.811 0.589 1
1 37 . 17 1 1 A 3 3 ARG CB C 3 30.900 30.011 0.889 1
1 41 . 17 1 1 A 3 3 ARG N N 3 117.600 123.795 -6.195 1
1 43 . 17 1 1 A 4 4 GLN H H 4 8.370 8.230 0.140 1
1 44 . 17 1 1 A 4 4 GLN HA H 4 3.900 4.107 -0.207 1
1 51 . 17 1 1 A 4 4 GLN C C 4 178.300 178.358 -0.058 1
1 52 . 17 1 1 A 4 4 GLN CA C 4 58.900 59.433 -0.533 1
1 53 . 17 1 1 A 4 4 GLN CB C 4 28.200 28.140 0.060 1
1 56 . 17 1 1 A 4 4 GLN N N 4 120.700 118.842 1.858 1
1 58 . 17 1 1 A 5 5 GLN H H 5 8.670 8.071 0.599 1
1 59 . 17 1 1 A 5 5 GLN HA H 5 4.190 4.163 0.027 1
1 66 . 17 1 1 A 5 5 GLN C C 5 180.000 178.552 1.448 1
1 67 . 17 1 1 A 5 5 GLN CA C 5 58.500 59.009 -0.509 1
1 68 . 17 1 1 A 5 5 GLN CB C 5 28.900 28.507 0.393 1
1 71 . 17 1 1 A 5 5 GLN N N 5 117.700 118.668 -0.968 1
1 73 . 17 1 1 A 6 6 PHE H H 6 8.270 7.979 0.291 1
1 74 . 17 1 1 A 6 6 PHE HA H 6 4.130 4.245 -0.115 1
1 82 . 17 1 1 A 6 6 PHE C C 6 175.500 177.301 -1.801 1
1 83 . 17 1 1 A 6 6 PHE CA C 6 62.700 61.258 1.442 1
1 84 . 17 1 1 A 6 6 PHE CB C 6 39.000 39.293 -0.293 1
1 90 . 17 1 1 A 6 6 PHE N N 6 121.200 121.796 -0.596 1
1 91 . 17 1 1 A 7 7 ILE H H 7 8.390 8.268 0.122 1
1 92 . 17 1 1 A 7 7 ILE HA H 7 3.280 3.532 -0.252 1
1 102 . 17 1 1 A 7 7 ILE C C 7 178.900 177.583 1.317 1
1 103 . 17 1 1 A 7 7 ILE CA C 7 66.400 65.389 1.011 1
1 104 . 17 1 1 A 7 7 ILE CB C 7 38.500 37.979 0.521 1
1 108 . 17 1 1 A 7 7 ILE N N 7 121.000 120.871 0.129 1
1 109 . 17 1 1 A 8 8 ASP H H 8 8.710 8.162 0.548 1
1 110 . 17 1 1 A 8 8 ASP HA H 8 4.370 4.280 0.090 1
1 113 . 17 1 1 A 8 8 ASP C C 8 178.000 178.320 -0.320 1
1 114 . 17 1 1 A 8 8 ASP CA C 8 57.300 57.527 -0.227 1
1 115 . 17 1 1 A 8 8 ASP CB C 8 40.600 39.865 0.735 1
1 116 . 17 1 1 A 8 8 ASP N N 8 119.800 119.709 0.091 1
1 117 . 17 1 1 A 9 9 TYR H H 9 8.060 8.671 -0.611 1
1 118 . 17 1 1 A 9 9 TYR HA H 9 4.000 4.111 -0.111 1
1 125 . 17 1 1 A 9 9 TYR C C 9 176.500 177.604 -1.104 1
1 126 . 17 1 1 A 9 9 TYR CA C 9 61.700 61.566 0.134 1
1 127 . 17 1 1 A 9 9 TYR CB C 9 38.600 38.485 0.115 1
1 132 . 17 1 1 A 9 9 TYR N N 9 121.600 122.479 -0.879 1
1 133 . 17 1 1 A 10 10 ALA H H 10 8.340 8.118 0.222 1
1 134 . 17 1 1 A 10 10 ALA HA H 10 3.730 3.936 -0.206 1
1 138 . 17 1 1 A 10 10 ALA C C 10 180.200 179.428 0.772 1
1 139 . 17 1 1 A 10 10 ALA CA C 10 55.200 54.770 0.430 1
1 140 . 17 1 1 A 10 10 ALA CB C 10 17.300 18.268 -0.968 1
1 141 . 17 1 1 A 10 10 ALA N N 10 120.700 121.356 -0.656 1
1 142 . 17 1 1 A 11 11 GLN H H 11 7.830 8.319 -0.489 1
1 143 . 17 1 1 A 11 11 GLN HA H 11 4.130 3.950 0.180 1
1 150 . 17 1 1 A 11 11 GLN C C 11 178.300 178.270 0.030 1
1 151 . 17 1 1 A 11 11 GLN CA C 11 59.200 59.095 0.105 1
1 152 . 17 1 1 A 11 11 GLN CB C 11 28.600 28.154 0.446 1
1 155 . 17 1 1 A 11 11 GLN N N 11 116.600 117.856 -1.256 1
1 157 . 17 1 1 A 12 12 LYS H H 12 8.040 7.628 0.412 1
1 158 . 17 1 1 A 12 12 LYS HA H 12 3.890 3.979 -0.089 1
1 167 . 17 1 1 A 12 12 LYS C C 12 178.200 179.191 -0.991 1
1 168 . 17 1 1 A 12 12 LYS CA C 12 58.800 59.436 -0.636 1
1 169 . 17 1 1 A 12 12 LYS CB C 12 32.700 31.930 0.770 1
1 173 . 17 1 1 A 12 12 LYS N N 12 119.300 117.907 1.393 1
1 174 . 17 1 1 A 13 13 LYS H H 13 8.440 7.273 1.167 1
1 175 . 17 1 1 A 13 13 LYS HA H 13 3.610 3.624 -0.014 1
1 184 . 17 1 1 A 13 13 LYS C C 13 177.600 176.958 0.642 1
1 185 . 17 1 1 A 13 13 LYS CA C 13 56.900 58.535 -1.635 1
1 186 . 17 1 1 A 13 13 LYS CB C 13 32.000 32.237 -0.237 1
1 190 . 17 1 1 A 13 13 LYS N N 13 117.700 119.543 -1.843 1
1 191 . 17 1 1 A 14 14 TYR H H 14 6.780 7.644 -0.864 1
1 192 . 17 1 1 A 14 14 TYR HA H 14 4.530 4.416 0.114 1
1 199 . 17 1 1 A 14 14 TYR C C 14 175.800 174.597 1.203 1
1 200 . 17 1 1 A 14 14 TYR CA C 14 56.600 57.806 -1.206 1
1 201 . 17 1 1 A 14 14 TYR CB C 14 39.500 39.874 -0.374 1
1 206 . 17 1 1 A 14 14 TYR N N 14 113.100 114.162 -1.062 1
1 207 . 17 1 1 A 15 15 ASP H H 15 7.620 8.462 -0.842 1
1 208 . 17 1 1 A 15 15 ASP HA H 15 4.810 4.246 0.564 1
1 211 . 17 1 1 A 15 15 ASP C C 15 175.200 174.675 0.525 1
1 212 . 17 1 1 A 15 15 ASP CA C 15 55.100 55.053 0.047 1
1 213 . 17 1 1 A 15 15 ASP CB C 15 39.300 39.510 -0.210 1
1 214 . 17 1 1 A 15 15 ASP N N 15 119.600 119.994 -0.394 1
1 215 . 17 1 1 A 16 16 THR H H 16 7.560 7.821 -0.261 1
1 216 . 17 1 1 A 16 16 THR HA H 16 4.650 4.757 -0.107 1
1 222 . 17 1 1 A 16 16 THR C C 16 173.200 174.079 -0.879 1
1 223 . 17 1 1 A 16 16 THR CA C 16 61.500 61.533 -0.033 1
1 224 . 17 1 1 A 16 16 THR CB C 16 71.000 71.067 -0.067 1
1 226 . 17 1 1 A 16 16 THR N N 16 113.100 113.642 -0.542 1
1 227 . 17 1 1 A 17 17 LYS H H 17 8.830 8.714 0.116 1
1 228 . 17 1 1 A 17 17 LYS HA H 17 4.690 4.784 -0.094 1
1 235 . 17 1 1 A 17 17 LYS C C 17 173.200 174.532 -1.332 1
1 236 . 17 1 1 A 17 17 LYS CA C 17 53.600 54.365 -0.765 1
1 237 . 17 1 1 A 17 17 LYS CB C 17 32.800 31.788 1.012 1
1 241 . 17 1 1 A 17 17 LYS N N 17 127.200 127.056 0.144 1
1 242 . 17 1 1 A 18 18 PRO HA H 18 3.540 3.946 -0.406 1
1 249 . 17 1 1 A 18 18 PRO C C 18 175.800 174.974 0.826 1
1 250 . 17 1 1 A 18 18 PRO CA C 18 62.000 63.130 -1.130 1
1 251 . 17 1 1 A 18 18 PRO CB C 18 32.200 32.192 0.008 1
1 254 . 17 1 1 A 19 19 ASP H H 19 8.310 7.916 0.394 1
1 255 . 17 1 1 A 19 19 ASP HA H 19 4.740 4.968 -0.228 1
1 258 . 17 1 1 A 19 19 ASP C C 19 175.100 174.944 0.156 1
1 259 . 17 1 1 A 19 19 ASP CA C 19 52.300 52.730 -0.430 1
1 260 . 17 1 1 A 19 19 ASP CB C 19 43.700 43.739 -0.039 1
1 261 . 17 1 1 A 19 19 ASP N N 19 120.300 121.806 -1.506 1
1 262 . 17 1 1 A 20 20 HIS H H 20 8.620 8.989 -0.369 1
1 263 . 17 1 1 A 20 20 HIS HA H 20 5.170 5.095 0.075 1
1 266 . 17 1 1 A 20 20 HIS CA C 20 53.200 52.998 0.202 1
1 267 . 17 1 1 A 20 20 HIS CB C 20 28.800 30.178 -1.378 1
1 268 . 17 1 1 A 20 20 HIS N N 20 118.800 124.390 -5.590 1
1 269 . 17 1 1 A 21 21 PRO HA H 21 4.190 4.415 -0.225 1
1 276 . 17 1 1 A 21 21 PRO C C 21 176.600 176.092 0.508 1
1 277 . 17 1 1 A 21 21 PRO CA C 21 63.900 63.874 0.026 1
1 278 . 17 1 1 A 21 21 PRO CB C 21 32.100 31.279 0.821 1
1 281 . 17 1 1 A 22 22 TRP H H 22 8.340 7.594 0.746 1
1 282 . 17 1 1 A 22 22 TRP HA H 22 5.000 4.875 0.125 1
1 291 . 17 1 1 A 22 22 TRP C C 22 174.200 177.202 -3.002 1
1 292 . 17 1 1 A 22 22 TRP CA C 22 57.100 56.489 0.611 1
1 293 . 17 1 1 A 22 22 TRP CB C 22 29.400 28.787 0.613 1
1 299 . 17 1 1 A 22 22 TRP N N 22 118.700 118.553 0.147 1
1 301 . 17 1 1 A 23 23 GLU H H 23 9.030 8.890 0.140 1
1 302 . 17 1 1 A 23 23 GLU HA H 23 4.000 4.166 -0.166 1
1 307 . 17 1 1 A 23 23 GLU C C 23 177.900 177.275 0.625 1
1 308 . 17 1 1 A 23 23 GLU CA C 23 59.100 58.926 0.174 1
1 309 . 17 1 1 A 23 23 GLU CB C 23 29.200 29.038 0.162 1
1 311 . 17 1 1 A 23 23 GLU N N 23 128.400 123.747 4.653 1
1 312 . 17 1 1 A 24 24 LYS H H 24 8.500 7.946 0.554 1
1 313 . 17 1 1 A 24 24 LYS HA H 24 3.890 4.075 -0.185 1
1 322 . 17 1 1 A 24 24 LYS C C 24 175.300 176.331 -1.031 1
1 323 . 17 1 1 A 24 24 LYS CA C 24 57.100 57.636 -0.536 1
1 324 . 17 1 1 A 24 24 LYS CB C 24 32.300 32.106 0.194 1
1 328 . 17 1 1 A 24 24 LYS N N 24 115.100 117.802 -2.702 1
1 329 . 17 1 1 A 25 25 PHE H H 25 7.010 8.074 -1.064 1
1 330 . 17 1 1 A 25 25 PHE HA H 25 4.740 5.177 -0.437 1
1 338 . 17 1 1 A 25 25 PHE C C 25 175.300 175.086 0.214 1
1 339 . 17 1 1 A 25 25 PHE CA C 25 54.300 55.086 -0.786 1
1 340 . 17 1 1 A 25 25 PHE CB C 25 39.200 38.940 0.260 1
1 346 . 17 1 1 A 25 25 PHE N N 25 115.100 117.637 -2.537 1
1 347 . 17 1 1 A 26 26 PRO HA H 26 4.380 4.701 -0.321 1
1 354 . 17 1 1 A 26 26 PRO C C 26 176.900 177.619 -0.719 1
1 355 . 17 1 1 A 26 26 PRO CA C 26 64.900 65.209 -0.309 1
1 356 . 17 1 1 A 26 26 PRO CB C 26 32.200 31.859 0.341 1
1 359 . 17 1 1 A 27 27 ASP H H 27 8.860 9.434 -0.574 1
1 360 . 17 1 1 A 27 27 ASP HA H 27 4.810 4.628 0.182 1
1 363 . 17 1 1 A 27 27 ASP C C 27 177.200 175.826 1.374 1
1 364 . 17 1 1 A 27 27 ASP CA C 27 53.900 55.720 -1.820 1
1 365 . 17 1 1 A 27 27 ASP CB C 27 39.900 40.885 -0.985 1
1 366 . 17 1 1 A 27 27 ASP N N 27 114.400 118.465 -4.065 1
1 367 . 17 1 1 A 28 28 TYR H H 28 8.300 8.289 0.011 1
1 368 . 17 1 1 A 28 28 TYR HA H 28 5.500 5.147 0.353 1
1 375 . 17 1 1 A 28 28 TYR C C 28 175.900 175.505 0.395 1
1 376 . 17 1 1 A 28 28 TYR CA C 28 55.600 57.017 -1.417 1
1 377 . 17 1 1 A 28 28 TYR CB C 28 36.400 40.962 -4.562 1
1 382 . 17 1 1 A 28 28 TYR N N 28 123.700 119.215 4.485 1
1 383 . 17 1 1 A 29 29 ALA H H 29 9.240 8.745 0.495 1
1 384 . 17 1 1 A 29 29 ALA HA H 29 5.030 4.525 0.505 1
1 388 . 17 1 1 A 29 29 ALA C C 29 174.600 175.403 -0.803 1
1 389 . 17 1 1 A 29 29 ALA CA C 29 49.700 49.562 0.138 1
1 390 . 17 1 1 A 29 29 ALA CB C 29 22.800 22.883 -0.083 1
1 391 . 17 1 1 A 29 29 ALA N N 29 126.000 124.651 1.349 1
1 392 . 17 1 1 A 30 30 VAL H H 30 8.530 8.286 0.244 1
1 393 . 17 1 1 A 30 30 VAL HA H 30 4.250 4.620 -0.370 1
1 401 . 17 1 1 A 30 30 VAL C C 30 173.400 174.186 -0.786 1
1 402 . 17 1 1 A 30 30 VAL CA C 30 60.300 60.931 -0.631 1
1 403 . 17 1 1 A 30 30 VAL CB C 30 34.100 34.574 -0.474 1
1 406 . 17 1 1 A 30 30 VAL N N 30 119.700 119.816 -0.116 1
1 407 . 17 1 1 A 31 31 PHE H H 31 8.040 9.387 -1.347 1
1 408 . 17 1 1 A 31 31 PHE HA H 31 4.250 5.057 -0.807 1
1 416 . 17 1 1 A 31 31 PHE C C 31 173.200 174.831 -1.631 1
1 417 . 17 1 1 A 31 31 PHE CA C 31 56.700 56.255 0.445 1
1 418 . 17 1 1 A 31 31 PHE CB C 31 38.500 40.709 -2.209 1
1 424 . 17 1 1 A 31 31 PHE N N 31 124.100 125.991 -1.891 1
1 425 . 17 1 1 A 32 32 ARG H H 32 8.720 8.726 -0.006 1
1 426 . 17 1 1 A 32 32 ARG HA H 32 5.320 4.803 0.517 1
1 434 . 17 1 1 A 32 32 ARG C C 32 176.400 174.874 1.526 1
1 435 . 17 1 1 A 32 32 ARG CA C 32 53.400 54.219 -0.819 1
1 436 . 17 1 1 A 32 32 ARG CB C 32 34.200 34.089 0.111 1
1 440 . 17 1 1 A 32 32 ARG N N 32 122.300 123.208 -0.908 1
1 442 . 17 1 1 A 33 33 HIS H H 33 8.560 8.909 -0.349 1
1 443 . 17 1 1 A 33 33 HIS HA H 33 4.710 5.062 -0.352 1
1 446 . 17 1 1 A 33 33 HIS C C 33 176.400 175.488 0.912 1
1 447 . 17 1 1 A 33 33 HIS CA C 33 56.500 54.941 1.559 1
1 448 . 17 1 1 A 33 33 HIS CB C 33 28.900 31.118 -2.218 1
1 449 . 17 1 1 A 33 33 HIS N N 33 119.800 122.401 -2.601 1
1 450 . 17 1 1 A 34 34 SER H H 34 9.160 9.072 0.088 1
1 451 . 17 1 1 A 34 34 SER HA H 34 4.390 4.022 0.368 1
1 454 . 17 1 1 A 34 34 SER C C 34 174.900 176.516 -1.616 1
1 455 . 17 1 1 A 34 34 SER CA C 34 60.400 62.164 -1.764 1
1 456 . 17 1 1 A 34 34 SER CB C 34 63.200 63.233 -0.033 1
1 457 . 17 1 1 A 34 34 SER N N 34 118.700 121.076 -2.376 1
1 458 . 17 1 1 A 35 35 ASP H H 35 8.660 8.383 0.277 1
1 459 . 17 1 1 A 35 35 ASP HA H 35 4.570 4.398 0.172 1
1 462 . 17 1 1 A 35 35 ASP C C 35 177.000 178.092 -1.092 1
1 463 . 17 1 1 A 35 35 ASP CA C 35 54.300 57.459 -3.159 1
1 464 . 17 1 1 A 35 35 ASP CB C 35 39.700 40.351 -0.651 1
1 465 . 17 1 1 A 35 35 ASP N N 35 118.200 122.758 -4.558 1
1 466 . 17 1 1 A 36 36 ASN H H 36 7.900 7.972 -0.072 1
1 467 . 17 1 1 A 36 36 ASN HA H 36 4.660 4.902 -0.242 1
1 472 . 17 1 1 A 36 36 ASN C C 36 175.100 175.398 -0.298 1
1 473 . 17 1 1 A 36 36 ASN CA C 36 52.000 52.931 -0.931 1
1 474 . 17 1 1 A 36 36 ASN CB C 36 38.900 38.705 0.195 1
1 476 . 17 1 1 A 36 36 ASN N N 36 116.200 114.884 1.316 1
1 478 . 17 1 1 A 37 37 ASP H H 37 7.890 8.048 -0.158 1
1 479 . 17 1 1 A 37 37 ASP HA H 37 4.670 4.475 0.195 1
1 482 . 17 1 1 A 37 37 ASP C C 37 175.800 177.171 -1.371 1
1 483 . 17 1 1 A 37 37 ASP CA C 37 55.800 56.901 -1.101 1
1 484 . 17 1 1 A 37 37 ASP CB C 37 40.500 40.364 0.136 1
1 485 . 17 1 1 A 37 37 ASP N N 37 115.300 118.344 -3.044 1
1 486 . 17 1 1 A 38 38 LYS H H 38 8.310 8.663 -0.353 1
1 487 . 17 1 1 A 38 38 LYS HA H 38 4.390 3.835 0.555 1
1 496 . 17 1 1 A 38 38 LYS C C 38 175.300 176.389 -1.089 1
1 497 . 17 1 1 A 38 38 LYS CA C 38 56.700 59.119 -2.419 1
1 498 . 17 1 1 A 38 38 LYS CB C 38 32.500 32.474 0.026 1
1 502 . 17 1 1 A 38 38 LYS N N 38 119.300 117.456 1.844 1
1 503 . 17 1 1 A 39 39 TRP HA H 39 5.000 4.323 0.677 1
1 512 . 17 1 1 A 39 39 TRP C C 39 176.100 174.600 1.500 1
1 513 . 17 1 1 A 39 39 TRP CA C 39 55.700 57.861 -2.161 1
1 514 . 17 1 1 A 39 39 TRP CB C 39 30.300 27.687 2.613 1
1 521 . 17 1 1 A 40 40 TYR H H 40 9.270 8.289 0.981 1
1 522 . 17 1 1 A 40 40 TYR HA H 40 5.280 4.638 0.642 1
1 525 . 17 1 1 A 40 40 TYR C C 40 175.400 174.434 0.966 1
1 526 . 17 1 1 A 40 40 TYR CA C 40 55.700 56.090 -0.390 1
1 527 . 17 1 1 A 40 40 TYR CB C 40 40.300 39.966 0.334 1
1 528 . 17 1 1 A 40 40 TYR N N 40 114.000 125.181 -11.181 1
1 529 . 17 1 1 A 41 41 ALA H H 41 7.760 8.041 -0.281 1
1 530 . 17 1 1 A 41 41 ALA HA H 41 5.580 4.967 0.613 1
1 534 . 17 1 1 A 41 41 ALA C C 41 177.300 175.737 1.563 1
1 535 . 17 1 1 A 41 41 ALA CA C 41 52.900 51.462 1.438 1
1 536 . 17 1 1 A 41 41 ALA CB C 41 21.900 22.016 -0.116 1
1 537 . 17 1 1 A 41 41 ALA N N 41 121.500 123.126 -1.626 1
1 538 . 17 1 1 A 42 42 LEU H H 42 8.300 8.729 -0.429 1
1 539 . 17 1 1 A 42 42 LEU HA H 42 5.200 5.411 -0.211 1
1 549 . 17 1 1 A 42 42 LEU C C 42 173.300 174.691 -1.391 1
1 550 . 17 1 1 A 42 42 LEU CA C 42 54.100 53.115 0.985 1
1 551 . 17 1 1 A 42 42 LEU CB C 42 45.900 46.438 -0.538 1
1 555 . 17 1 1 A 42 42 LEU N N 42 123.700 119.055 4.645 1
1 556 . 17 1 1 A 43 43 LEU H H 43 9.700 8.981 0.719 1
1 557 . 17 1 1 A 43 43 LEU HA H 43 5.250 5.462 -0.212 1
1 567 . 17 1 1 A 43 43 LEU C C 43 173.300 175.313 -2.013 1
1 568 . 17 1 1 A 43 43 LEU CA C 43 54.000 53.461 0.539 1
1 569 . 17 1 1 A 43 43 LEU CB C 43 46.000 45.299 0.701 1
1 573 . 17 1 1 A 43 43 LEU N N 43 130.400 122.568 7.832 1
1 574 . 17 1 1 A 44 44 MET H H 44 8.800 8.486 0.314 1
1 575 . 17 1 1 A 44 44 MET HA H 44 4.420 4.839 -0.419 1
1 583 . 17 1 1 A 44 44 MET C C 44 172.500 173.153 -0.653 1
1 584 . 17 1 1 A 44 44 MET CA C 44 55.000 53.454 1.546 1
1 585 . 17 1 1 A 44 44 MET CB C 44 39.100 35.420 3.680 1
1 588 . 17 1 1 A 44 44 MET N N 44 122.800 122.920 -0.120 1
1 589 . 17 1 1 A 45 45 ASP H H 45 7.960 8.222 -0.262 1
1 590 . 17 1 1 A 45 45 ASP HA H 45 5.490 5.547 -0.057 1
1 593 . 17 1 1 A 45 45 ASP C C 45 175.200 175.761 -0.561 1
1 594 . 17 1 1 A 45 45 ASP CA C 45 51.900 53.294 -1.394 1
1 595 . 17 1 1 A 45 45 ASP CB C 45 40.800 42.440 -1.640 1
1 596 . 17 1 1 A 45 45 ASP N N 45 119.400 118.651 0.749 1
1 597 . 17 1 1 A 46 46 ILE H H 46 8.800 8.330 0.470 1
1 598 . 17 1 1 A 46 46 ILE HA H 46 4.870 4.799 0.071 1
1 608 . 17 1 1 A 46 46 ILE CA C 46 57.700 57.054 0.646 1
1 609 . 17 1 1 A 46 46 ILE CB C 46 40.100 40.443 -0.343 1
1 613 . 17 1 1 A 46 46 ILE N N 46 117.400 119.111 -1.711 1
1 614 . 17 1 1 A 47 47 PRO HA H 47 4.420 4.443 -0.023 1
1 621 . 17 1 1 A 47 47 PRO C C 47 177.800 177.494 0.306 1
1 622 . 17 1 1 A 47 47 PRO CA C 47 63.000 63.072 -0.072 1
1 623 . 17 1 1 A 47 47 PRO CB C 47 31.900 32.492 -0.592 1
1 626 . 17 1 1 A 48 48 ALA H H 48 8.550 8.735 -0.185 1
1 627 . 17 1 1 A 48 48 ALA HA H 48 3.550 3.964 -0.414 1
1 631 . 17 1 1 A 48 48 ALA C C 48 179.200 179.816 -0.616 1
1 632 . 17 1 1 A 48 48 ALA CA C 48 55.200 55.044 0.156 1
1 633 . 17 1 1 A 48 48 ALA CB C 48 17.700 18.015 -0.315 1
1 634 . 17 1 1 A 48 48 ALA N N 48 130.100 127.750 2.350 1
1 635 . 17 1 1 A 49 49 GLU H H 49 8.700 8.282 0.418 1
1 636 . 17 1 1 A 49 49 GLU HA H 49 4.180 4.069 0.111 1
1 641 . 17 1 1 A 49 49 GLU C C 49 179.800 178.263 1.537 1
1 642 . 17 1 1 A 49 49 GLU CA C 49 58.200 59.169 -0.969 1
1 643 . 17 1 1 A 49 49 GLU CB C 49 28.200 28.611 -0.411 1
1 645 . 17 1 1 A 49 49 GLU N N 49 114.900 116.566 -1.666 1
1 646 . 17 1 1 A 50 50 LYS H H 50 7.910 7.458 0.452 1
1 647 . 17 1 1 A 50 50 LYS HA H 50 4.060 4.036 0.024 1
1 656 . 17 1 1 A 50 50 LYS C C 50 178.100 178.525 -0.425 1
1 657 . 17 1 1 A 50 50 LYS CA C 50 56.900 58.942 -2.042 1
1 658 . 17 1 1 A 50 50 LYS CB C 50 31.700 32.257 -0.557 1
1 662 . 17 1 1 A 50 50 LYS N N 50 118.100 117.640 0.460 1
1 663 . 17 1 1 A 51 51 ILE H H 51 7.190 7.403 -0.213 1
1 664 . 17 1 1 A 51 51 ILE HA H 51 4.490 4.147 0.343 1
1 674 . 17 1 1 A 51 51 ILE C C 51 175.300 176.103 -0.803 1
1 675 . 17 1 1 A 51 51 ILE CA C 51 60.100 60.438 -0.338 1
1 676 . 17 1 1 A 51 51 ILE CB C 51 37.400 37.197 0.203 1
1 680 . 17 1 1 A 51 51 ILE N N 51 109.000 112.231 -3.231 1
1 681 . 17 1 1 A 52 52 GLY H H 52 7.370 7.606 -0.236 1
1 682 . 17 1 1 A 52 52 GLY HA2 H 52 4.050 3.945 0.105 1
1 683 . 17 1 1 A 52 52 GLY HA3 H 52 3.730 3.976 -0.246 1
1 684 . 17 1 1 A 52 52 GLY C C 52 174.200 174.488 -0.288 1
1 685 . 17 1 1 A 52 52 GLY CA C 52 46.100 46.311 -0.211 1
1 686 . 17 1 1 A 52 52 GLY N N 52 106.900 111.168 -4.268 1
1 687 . 17 1 1 A 53 53 ILE H H 53 7.260 7.642 -0.382 1
1 688 . 17 1 1 A 53 53 ILE HA H 53 4.040 4.345 -0.305 1
1 698 . 17 1 1 A 53 53 ILE C C 53 174.700 176.159 -1.459 1
1 699 . 17 1 1 A 53 53 ILE CA C 53 60.500 59.545 0.955 1
1 700 . 17 1 1 A 53 53 ILE CB C 53 38.700 39.788 -1.088 1
1 704 . 17 1 1 A 53 53 ILE N N 53 121.900 121.115 0.785 1
1 705 . 17 1 1 A 54 54 ASN H H 54 8.280 9.081 -0.801 1
1 706 . 17 1 1 A 54 54 ASN HA H 54 4.540 4.577 -0.037 1
1 711 . 17 1 1 A 54 54 ASN C C 54 175.400 175.405 -0.005 1
1 712 . 17 1 1 A 54 54 ASN CA C 54 53.700 55.416 -1.716 1
1 713 . 17 1 1 A 54 54 ASN CB C 54 39.000 38.255 0.745 1
1 715 . 17 1 1 A 54 54 ASN N N 54 123.300 124.662 -1.362 1
1 717 . 17 1 1 A 55 55 GLY H H 55 8.240 7.540 0.700 1
1 718 . 17 1 1 A 55 55 GLY HA2 H 55 4.230 4.190 0.040 1
1 719 . 17 1 1 A 55 55 GLY HA3 H 55 3.740 4.193 -0.453 1
1 720 . 17 1 1 A 55 55 GLY C C 55 173.200 172.148 1.052 1
1 721 . 17 1 1 A 55 55 GLY CA C 55 44.800 45.991 -1.191 1
1 722 . 17 1 1 A 55 55 GLY N N 55 110.200 106.411 3.789 1
1 723 . 17 1 1 A 56 56 ASP H H 56 8.320 8.639 -0.319 1
1 724 . 17 1 1 A 56 56 ASP HA H 56 4.700 4.764 -0.064 1
1 727 . 17 1 1 A 56 56 ASP C C 56 175.800 174.934 0.866 1
1 728 . 17 1 1 A 56 56 ASP CA C 56 53.400 52.712 0.688 1
1 729 . 17 1 1 A 56 56 ASP CB C 56 40.500 40.929 -0.429 1
1 730 . 17 1 1 A 56 56 ASP N N 56 119.000 125.279 -6.279 1
1 731 . 17 1 1 A 57 57 LYS H H 57 7.780 7.568 0.212 1
1 732 . 17 1 1 A 57 57 LYS HA H 57 4.400 4.701 -0.301 1
1 741 . 17 1 1 A 57 57 LYS C C 57 175.700 176.317 -0.617 1
1 742 . 17 1 1 A 57 57 LYS CA C 57 55.600 55.160 0.440 1
1 743 . 17 1 1 A 57 57 LYS CB C 57 33.700 34.002 -0.302 1
1 747 . 17 1 1 A 57 57 LYS N N 57 119.500 124.039 -4.539 1
1 748 . 17 1 1 A 58 58 ARG H H 58 8.410 8.561 -0.151 1
1 749 . 17 1 1 A 58 58 ARG HA H 58 4.740 4.421 0.319 1
1 757 . 17 1 1 A 58 58 ARG C C 58 176.200 176.292 -0.092 1
1 758 . 17 1 1 A 58 58 ARG CA C 58 55.300 55.917 -0.617 1
1 759 . 17 1 1 A 58 58 ARG CB C 58 31.700 30.745 0.955 1
1 763 . 17 1 1 A 58 58 ARG N N 58 120.900 126.359 -5.459 1
1 765 . 17 1 1 A 59 59 VAL H H 59 9.030 8.421 0.609 1
1 766 . 17 1 1 A 59 59 VAL HA H 59 4.570 4.864 -0.294 1
1 774 . 17 1 1 A 59 59 VAL C C 59 173.900 174.179 -0.279 1
1 775 . 17 1 1 A 59 59 VAL CA C 59 58.700 58.599 0.101 1
1 776 . 17 1 1 A 59 59 VAL CB C 59 34.700 35.671 -0.971 1
1 779 . 17 1 1 A 59 59 VAL N N 59 115.600 118.132 -2.532 1
1 780 . 17 1 1 A 60 60 ASP H H 60 8.290 8.445 -0.155 1
1 781 . 17 1 1 A 60 60 ASP HA H 60 5.560 5.181 0.379 1
1 784 . 17 1 1 A 60 60 ASP C C 60 175.800 175.745 0.055 1
1 785 . 17 1 1 A 60 60 ASP CA C 60 53.600 53.768 -0.168 1
1 786 . 17 1 1 A 60 60 ASP CB C 60 43.100 42.305 0.795 1
1 787 . 17 1 1 A 60 60 ASP N N 60 120.700 120.857 -0.157 1
1 788 . 17 1 1 A 61 61 VAL H H 61 9.080 8.596 0.484 1
1 789 . 17 1 1 A 61 61 VAL HA H 61 5.150 5.200 -0.050 1
1 797 . 17 1 1 A 61 61 VAL C C 61 173.800 174.170 -0.370 1
1 798 . 17 1 1 A 61 61 VAL CA C 61 57.600 59.161 -1.561 1
1 799 . 17 1 1 A 61 61 VAL CB C 61 35.500 35.844 -0.344 1
1 802 . 17 1 1 A 61 61 VAL N N 61 115.200 117.677 -2.477 1
1 803 . 17 1 1 A 62 62 ILE H H 62 8.530 8.629 -0.099 1
1 804 . 17 1 1 A 62 62 ILE HA H 62 5.550 5.319 0.231 1
1 814 . 17 1 1 A 62 62 ILE CA C 62 57.800 58.886 -1.086 1
1 815 . 17 1 1 A 62 62 ILE CB C 62 41.700 42.136 -0.436 1
1 819 . 17 1 1 A 62 62 ILE N N 62 112.000 117.007 -5.007 1
1 820 . 17 1 1 A 64 64 LEU HA H 64 4.960 5.157 -0.197 1
1 830 . 17 1 1 A 64 64 LEU C C 64 173.100 175.158 -2.058 1
1 831 . 17 1 1 A 64 64 LEU CA C 64 53.500 52.657 0.843 1
1 832 . 17 1 1 A 64 64 LEU CB C 64 47.000 46.275 0.725 1
1 836 . 17 1 1 A 65 65 LYS H H 65 8.470 8.742 -0.272 1
1 837 . 17 1 1 A 65 65 LYS HA H 65 3.760 5.539 -1.779 1
1 846 . 17 1 1 A 65 65 LYS C C 65 175.100 175.588 -0.488 1
1 847 . 17 1 1 A 65 65 LYS CA C 65 55.700 55.471 0.229 1
1 848 . 17 1 1 A 65 65 LYS CB C 65 33.600 34.975 -1.375 1
1 852 . 17 1 1 A 65 65 LYS N N 65 126.700 118.517 8.183 1
1 853 . 17 1 1 A 66 66 VAL H H 66 7.840 8.789 -0.949 1
1 854 . 17 1 1 A 66 66 VAL HA H 66 4.410 4.959 -0.549 1
1 862 . 17 1 1 A 66 66 VAL C C 66 175.300 174.454 0.846 1
1 863 . 17 1 1 A 66 66 VAL CA C 66 58.300 58.795 -0.495 1
1 864 . 17 1 1 A 66 66 VAL CB C 66 36.400 35.800 0.600 1
1 867 . 17 1 1 A 66 66 VAL N N 66 116.000 118.524 -2.524 1
1 868 . 17 1 1 A 67 67 GLN H H 67 8.620 8.577 0.043 1
1 869 . 17 1 1 A 67 67 GLN HA H 67 4.350 4.504 -0.154 1
1 876 . 17 1 1 A 67 67 GLN CA C 67 54.900 53.940 0.960 1
1 877 . 17 1 1 A 67 67 GLN CB C 67 27.600 30.185 -2.585 1
1 880 . 17 1 1 A 67 67 GLN N N 67 123.000 123.742 -0.742 1
1 882 . 17 1 1 A 68 68 PRO HA H 68 4.200 4.311 -0.111 1
1 889 . 17 1 1 A 68 68 PRO C C 68 179.400 178.939 0.461 1
1 890 . 17 1 1 A 68 68 PRO CA C 68 65.100 65.677 -0.577 1
1 891 . 17 1 1 A 68 68 PRO CB C 68 31.700 31.893 -0.193 1
1 894 . 17 1 1 A 69 69 GLU H H 69 9.620 8.488 1.132 1
1 895 . 17 1 1 A 69 69 GLU HA H 69 4.190 4.104 0.086 1
1 900 . 17 1 1 A 69 69 GLU C C 69 177.100 178.288 -1.188 1
1 901 . 17 1 1 A 69 69 GLU CA C 69 58.600 58.802 -0.202 1
1 902 . 17 1 1 A 69 69 GLU CB C 69 28.100 29.222 -1.122 1
1 904 . 17 1 1 A 69 69 GLU N N 69 116.900 117.291 -0.391 1
1 905 . 17 1 1 A 70 70 LEU H H 70 7.940 7.759 0.181 1
1 906 . 17 1 1 A 70 70 LEU HA H 70 4.460 4.421 0.039 1
1 916 . 17 1 1 A 70 70 LEU C C 70 177.600 177.859 -0.259 1
1 917 . 17 1 1 A 70 70 LEU CA C 70 54.500 54.571 -0.071 1
1 918 . 17 1 1 A 70 70 LEU CB C 70 42.800 41.805 0.995 1
1 922 . 17 1 1 A 70 70 LEU N N 70 118.700 118.577 0.123 1
1 923 . 17 1 1 A 71 71 VAL H H 71 7.080 7.457 -0.377 1
1 924 . 17 1 1 A 71 71 VAL HA H 71 3.210 3.885 -0.675 1
1 932 . 17 1 1 A 71 71 VAL C C 71 176.800 177.675 -0.875 1
1 933 . 17 1 1 A 71 71 VAL CA C 71 67.700 66.002 1.698 1
1 934 . 17 1 1 A 71 71 VAL CB C 71 32.000 31.244 0.756 1
1 937 . 17 1 1 A 71 71 VAL N N 71 120.300 120.618 -0.318 1
1 938 . 17 1 1 A 72 72 GLY H H 72 8.540 8.342 0.198 1
1 939 . 17 1 1 A 72 72 GLY HA2 H 72 3.770 3.762 0.008 1
1 940 . 17 1 1 A 72 72 GLY HA3 H 72 3.630 3.766 -0.136 1
1 941 . 17 1 1 A 72 72 GLY C C 72 176.300 176.302 -0.002 1
1 942 . 17 1 1 A 72 72 GLY CA C 72 47.000 47.520 -0.520 1
1 943 . 17 1 1 A 72 72 GLY N N 72 105.300 109.309 -4.009 1
1 944 . 17 1 1 A 73 73 SER H H 73 7.870 7.997 -0.127 1
1 945 . 17 1 1 A 73 73 SER HA H 73 4.170 4.145 0.025 1
1 948 . 17 1 1 A 73 73 SER C C 73 178.000 177.585 0.415 1
1 949 . 17 1 1 A 73 73 SER CA C 73 60.600 61.666 -1.066 1
1 950 . 17 1 1 A 73 73 SER CB C 73 62.700 62.361 0.339 1
1 951 . 17 1 1 A 73 73 SER N N 73 115.700 117.396 -1.696 1
1 952 . 17 1 1 A 74 74 LEU H H 74 8.340 8.396 -0.056 1
1 953 . 17 1 1 A 74 74 LEU HA H 74 4.000 4.014 -0.014 1
1 963 . 17 1 1 A 74 74 LEU C C 74 178.400 178.942 -0.542 1
1 964 . 17 1 1 A 74 74 LEU CA C 74 57.900 58.141 -0.241 1
1 965 . 17 1 1 A 74 74 LEU CB C 74 41.700 41.074 0.626 1
1 969 . 17 1 1 A 74 74 LEU N N 74 124.600 122.673 1.927 1
1 970 . 17 1 1 A 75 75 ARG H H 75 7.850 8.198 -0.348 1
1 971 . 17 1 1 A 75 75 ARG HA H 75 3.750 4.020 -0.270 1
1 979 . 17 1 1 A 75 75 ARG C C 75 176.500 179.143 -2.643 1
1 980 . 17 1 1 A 75 75 ARG CA C 75 57.800 59.288 -1.488 1
1 981 . 17 1 1 A 75 75 ARG CB C 75 29.500 30.011 -0.511 1
1 985 . 17 1 1 A 75 75 ARG N N 75 113.300 118.570 -5.270 1
1 987 . 17 1 1 A 76 76 LYS H H 76 7.100 8.981 -1.881 1
1 988 . 17 1 1 A 76 76 LYS HA H 76 4.210 4.185 0.025 1
1 997 . 17 1 1 A 76 76 LYS C C 76 177.000 176.308 0.692 1
1 998 . 17 1 1 A 76 76 LYS CA C 76 56.500 58.293 -1.793 1
1 999 . 17 1 1 A 76 76 LYS CB C 76 32.700 31.677 1.023 1
1 1003 . 17 1 1 A 76 76 LYS N N 76 116.600 116.560 0.040 1
1 1004 . 17 1 1 A 77 77 LYS H H 77 7.830 7.637 0.193 1
1 1005 . 17 1 1 A 77 77 LYS HA H 77 4.470 4.464 0.006 1
1 1014 . 17 1 1 A 77 77 LYS CA C 77 54.500 53.266 1.234 1
1 1015 . 17 1 1 A 77 77 LYS CB C 77 31.800 32.569 -0.769 1
1 1019 . 17 1 1 A 77 77 LYS N N 77 122.900 121.037 1.863 1
1 1020 . 17 1 1 A 78 78 PRO HA H 78 4.190 4.205 -0.015 1
1 1027 . 17 1 1 A 78 78 PRO C C 78 176.600 177.309 -0.709 1
1 1028 . 17 1 1 A 78 78 PRO CA C 78 63.700 63.586 0.114 1
1 1029 . 17 1 1 A 78 78 PRO CB C 78 31.900 31.617 0.283 1
1 1032 . 17 1 1 A 79 79 GLY H H 79 8.290 8.692 -0.402 1
1 1033 . 17 1 1 A 79 79 GLY HA2 H 79 4.350 3.921 0.429 1
1 1034 . 17 1 1 A 79 79 GLY HA3 H 79 3.590 3.983 -0.393 1
1 1035 . 17 1 1 A 79 79 GLY C C 79 172.000 174.131 -2.131 1
1 1036 . 17 1 1 A 79 79 GLY CA C 79 45.500 45.269 0.231 1
1 1037 . 17 1 1 A 79 79 GLY N N 79 109.300 110.887 -1.587 1
1 1038 . 17 1 1 A 80 80 ILE H H 80 7.300 7.197 0.103 1
1 1039 . 17 1 1 A 80 80 ILE HA H 80 4.770 4.207 0.563 1
1 1049 . 17 1 1 A 80 80 ILE C C 80 174.200 174.876 -0.676 1
1 1050 . 17 1 1 A 80 80 ILE CA C 80 60.500 61.130 -0.630 1
1 1051 . 17 1 1 A 80 80 ILE CB C 80 37.000 38.495 -1.495 1
1 1055 . 17 1 1 A 80 80 ILE N N 80 119.200 122.287 -3.087 1
1 1056 . 17 1 1 A 81 81 TYR H H 81 9.490 8.618 0.872 1
1 1057 . 17 1 1 A 81 81 TYR HA H 81 4.840 4.980 -0.140 1
1 1064 . 17 1 1 A 81 81 TYR CA C 81 56.800 55.593 1.207 1
1 1065 . 17 1 1 A 81 81 TYR CB C 81 39.800 40.428 -0.628 1
1 1070 . 17 1 1 A 81 81 TYR N N 81 126.100 126.226 -0.126 1
1 1071 . 17 1 1 A 82 82 PRO HA H 82 4.610 4.527 0.083 1
1 1078 . 17 1 1 A 82 82 PRO CA C 82 62.300 63.003 -0.703 1
1 1079 . 17 1 1 A 82 82 PRO CB C 82 32.000 32.107 -0.107 1
1 1082 . 17 1 1 A 83 83 ALA HA H 83 4.140 4.446 -0.306 1
1 1086 . 17 1 1 A 84 84 TYR HA H 84 4.470 4.734 -0.264 1
1 1093 . 17 1 1 A 84 84 TYR CA C 84 57.500 58.005 -0.505 1
1 1094 . 17 1 1 A 84 84 TYR CB C 84 39.500 39.377 0.123 1
1 1099 . 17 1 1 A 87 87 ASN HA H 87 4.410 3.912 0.498 1
1 1104 . 17 1 1 A 87 87 ASN C C 87 176.500 175.024 1.476 1
1 1105 . 17 1 1 A 87 87 ASN CA C 87 55.100 53.891 1.209 1
1 1106 . 17 1 1 A 87 87 ASN CB C 87 40.600 35.954 4.646 1
1 1109 . 17 1 1 A 88 88 LYS H H 88 8.710 7.761 0.949 1
1 1110 . 17 1 1 A 88 88 LYS HA H 88 4.320 3.718 0.602 1
1 1119 . 17 1 1 A 88 88 LYS C C 88 177.600 179.071 -1.471 1
1 1120 . 17 1 1 A 88 88 LYS CA C 88 58.100 59.525 -1.425 1
1 1121 . 17 1 1 A 88 88 LYS CB C 88 33.000 32.282 0.718 1
1 1125 . 17 1 1 A 88 88 LYS N N 88 123.800 118.722 5.078 1
1 1126 . 17 1 1 A 89 89 GLU H H 89 8.390 7.722 0.668 1
1 1127 . 17 1 1 A 89 89 GLU HA H 89 4.270 3.988 0.282 1
1 1132 . 17 1 1 A 89 89 GLU C C 89 176.500 179.645 -3.145 1
1 1133 . 17 1 1 A 89 89 GLU CA C 89 57.800 59.014 -1.214 1
1 1134 . 17 1 1 A 89 89 GLU CB C 89 30.100 29.051 1.049 1
1 1136 . 17 1 1 A 89 89 GLU N N 89 117.000 118.470 -1.470 1
1 1137 . 17 1 1 A 90 90 HIS H H 90 7.600 7.448 0.152 1
1 1138 . 17 1 1 A 90 90 HIS HA H 90 4.580 4.254 0.326 1
1 1142 . 17 1 1 A 90 90 HIS C C 90 170.800 174.971 -4.171 1
1 1143 . 17 1 1 A 90 90 HIS CA C 90 55.500 58.669 -3.169 1
1 1144 . 17 1 1 A 90 90 HIS CB C 90 32.200 29.709 2.491 1
1 1145 . 17 1 1 A 90 90 HIS N N 90 111.500 116.985 -5.485 1
1 1146 . 17 1 1 A 91 91 TRP H H 91 7.650 7.924 -0.274 1
1 1147 . 17 1 1 A 91 91 TRP HA H 91 5.610 5.650 -0.040 1
1 1156 . 17 1 1 A 91 91 TRP C C 91 174.600 175.533 -0.933 1
1 1157 . 17 1 1 A 91 91 TRP CA C 91 55.500 56.134 -0.634 1
1 1158 . 17 1 1 A 91 91 TRP CB C 91 31.700 32.410 -0.710 1
1 1163 . 17 1 1 A 91 91 TRP N N 91 117.400 116.248 1.152 1
1 1165 . 17 1 1 A 92 92 ILE H H 92 9.100 8.768 0.332 1
1 1166 . 17 1 1 A 92 92 ILE HA H 92 4.630 4.895 -0.265 1
1 1176 . 17 1 1 A 92 92 ILE C C 92 174.500 174.677 -0.177 1
1 1177 . 17 1 1 A 92 92 ILE CA C 92 59.800 59.791 0.009 1
1 1178 . 17 1 1 A 92 92 ILE CB C 92 42.500 41.998 0.502 1
1 1182 . 17 1 1 A 92 92 ILE N N 92 111.700 121.191 -9.491 1
1 1183 . 17 1 1 A 93 93 THR H H 93 8.570 8.342 0.228 1
1 1184 . 17 1 1 A 93 93 THR HA H 93 4.250 5.310 -1.060 1
1 1190 . 17 1 1 A 93 93 THR CA C 93 61.800 61.989 -0.189 1
1 1191 . 17 1 1 A 93 93 THR CB C 93 70.200 70.559 -0.359 1
1 1193 . 17 1 1 A 93 93 THR N N 93 117.600 120.935 -3.335 1
1 1194 . 17 1 1 A 94 94 VAL HA H 94 4.680 4.903 -0.223 1
1 1202 . 17 1 1 A 94 94 VAL C C 94 175.400 174.526 0.874 1
1 1203 . 17 1 1 A 94 94 VAL CA C 94 60.700 60.696 0.004 1
1 1204 . 17 1 1 A 94 94 VAL CB C 94 34.100 34.514 -0.414 1
1 1207 . 17 1 1 A 95 95 LEU H H 95 8.080 8.699 -0.619 1
1 1208 . 17 1 1 A 95 95 LEU HA H 95 4.330 4.573 -0.243 1
1 1218 . 17 1 1 A 95 95 LEU C C 95 176.400 176.117 0.283 1
1 1219 . 17 1 1 A 95 95 LEU CA C 95 55.000 54.548 0.452 1
1 1220 . 17 1 1 A 95 95 LEU CB C 95 44.300 42.151 2.149 1
1 1224 . 17 1 1 A 95 95 LEU N N 95 127.500 127.875 -0.375 1
1 1225 . 17 1 1 A 96 96 LEU H H 96 8.050 8.666 -0.616 1
1 1226 . 17 1 1 A 96 96 LEU HA H 96 4.150 3.973 0.177 1
1 1236 . 17 1 1 A 96 96 LEU C C 96 177.400 178.706 -1.306 1
1 1237 . 17 1 1 A 96 96 LEU CA C 96 56.500 58.140 -1.640 1
1 1238 . 17 1 1 A 96 96 LEU CB C 96 40.500 41.451 -0.951 1
1 1242 . 17 1 1 A 96 96 LEU N N 96 128.100 127.474 0.626 1
1 1243 . 17 1 1 A 97 97 ASN H H 97 8.690 7.970 0.720 1
1 1244 . 17 1 1 A 97 97 ASN HA H 97 4.740 4.726 0.014 1
1 1249 . 17 1 1 A 97 97 ASN C C 97 174.900 176.341 -1.441 1
1 1250 . 17 1 1 A 97 97 ASN CA C 97 53.000 54.415 -1.415 1
1 1251 . 17 1 1 A 97 97 ASN CB C 97 37.700 38.292 -0.592 1
1 1252 . 17 1 1 A 97 97 ASN N N 97 117.200 114.781 2.419 1
1 1254 . 17 1 1 A 98 98 GLY H H 98 7.820 8.086 -0.266 1
1 1255 . 17 1 1 A 98 98 GLY HA2 H 98 4.470 4.147 0.323 1
1 1256 . 17 1 1 A 98 98 GLY HA3 H 98 3.740 4.157 -0.417 1
1 1257 . 17 1 1 A 98 98 GLY C C 98 174.900 174.607 0.293 1
1 1258 . 17 1 1 A 98 98 GLY CA C 98 44.900 44.871 0.029 1
1 1259 . 17 1 1 A 98 98 GLY N N 98 108.600 107.918 0.682 1
1 1260 . 17 1 1 A 99 99 PRO HA H 99 4.380 4.557 -0.177 1
1 1267 . 17 1 1 A 99 99 PRO C C 99 177.400 175.982 1.418 1
1 1268 . 17 1 1 A 99 99 PRO CA C 99 63.900 63.765 0.135 1
1 1269 . 17 1 1 A 99 99 PRO CB C 99 32.400 32.042 0.358 1
1 1272 . 17 1 1 A 100 100 LEU H H 100 7.750 7.407 0.343 1
1 1273 . 17 1 1 A 100 100 LEU HA H 100 4.280 4.442 -0.162 1
1 1283 . 17 1 1 A 100 100 LEU C C 100 177.400 176.996 0.404 1
1 1284 . 17 1 1 A 100 100 LEU CA C 100 55.800 53.501 2.299 1
1 1285 . 17 1 1 A 100 100 LEU CB C 100 42.600 43.174 -0.574 1
1 1289 . 17 1 1 A 100 100 LEU N N 100 120.300 116.628 3.672 1
1 1290 . 17 1 1 A 101 101 GLY H H 101 8.620 8.478 0.142 1
1 1291 . 17 1 1 A 101 101 GLY HA2 H 101 4.110 4.066 0.044 1
1 1292 . 17 1 1 A 101 101 GLY HA3 H 101 3.890 4.069 -0.179 1
1 1293 . 17 1 1 A 101 101 GLY C C 101 173.600 174.740 -1.140 1
1 1294 . 17 1 1 A 101 101 GLY CA C 101 44.300 44.505 -0.205 1
1 1295 . 17 1 1 A 101 101 GLY N N 101 110.600 106.998 3.602 1
1 1296 . 17 1 1 A 102 102 ALA H H 102 8.310 8.858 -0.548 1
1 1297 . 17 1 1 A 102 102 ALA HA H 102 3.520 3.801 -0.281 1
1 1301 . 17 1 1 A 102 102 ALA C C 102 178.900 179.592 -0.692 1
1 1302 . 17 1 1 A 102 102 ALA CA C 102 55.400 54.493 0.907 1
1 1303 . 17 1 1 A 102 102 ALA CB C 102 18.600 18.084 0.516 1
1 1304 . 17 1 1 A 102 102 ALA N N 102 122.000 123.372 -1.372 1
1 1305 . 17 1 1 A 103 103 LYS H H 103 8.360 8.018 0.342 1
1 1306 . 17 1 1 A 103 103 LYS HA H 103 3.730 3.842 -0.112 1
1 1315 . 17 1 1 A 103 103 LYS C C 103 179.400 179.808 -0.408 1
1 1316 . 17 1 1 A 103 103 LYS CA C 103 60.000 59.583 0.417 1
1 1317 . 17 1 1 A 103 103 LYS CB C 103 31.900 32.212 -0.312 1
1 1321 . 17 1 1 A 103 103 LYS N N 103 116.500 117.715 -1.215 1
1 1322 . 17 1 1 A 104 104 GLU H H 104 7.890 7.965 -0.075 1
1 1323 . 17 1 1 A 104 104 GLU HA H 104 4.080 4.055 0.025 1
1 1328 . 17 1 1 A 104 104 GLU C C 104 179.300 179.433 -0.133 1
1 1329 . 17 1 1 A 104 104 GLU CA C 104 59.500 58.843 0.657 1
1 1330 . 17 1 1 A 104 104 GLU CB C 104 29.100 29.747 -0.647 1
1 1332 . 17 1 1 A 104 104 GLU N N 104 120.000 120.137 -0.137 1
1 1333 . 17 1 1 A 105 105 ILE H H 105 8.170 7.466 0.704 1
1 1334 . 17 1 1 A 105 105 ILE HA H 105 3.520 3.709 -0.189 1
1 1344 . 17 1 1 A 105 105 ILE C C 105 178.100 178.156 -0.056 1
1 1345 . 17 1 1 A 105 105 ILE CA C 105 66.700 65.393 1.307 1
1 1346 . 17 1 1 A 105 105 ILE CB C 105 37.700 37.743 -0.043 1
1 1350 . 17 1 1 A 105 105 ILE N N 105 119.500 120.647 -1.147 1
1 1351 . 17 1 1 A 106 106 HIS H H 106 8.930 8.068 0.862 1
1 1352 . 17 1 1 A 106 106 HIS HA H 106 4.230 4.177 0.053 1
1 1356 . 17 1 1 A 106 106 HIS C C 106 178.000 177.702 0.298 1
1 1357 . 17 1 1 A 106 106 HIS CA C 106 57.600 59.964 -2.364 1
1 1358 . 17 1 1 A 106 106 HIS CB C 106 28.400 29.556 -1.156 1
1 1360 . 17 1 1 A 106 106 HIS N N 106 116.700 119.907 -3.207 1
1 1361 . 17 1 1 A 107 107 SER H H 107 8.060 8.436 -0.376 1
1 1362 . 17 1 1 A 107 107 SER HA H 107 4.310 4.103 0.207 1
1 1365 . 17 1 1 A 107 107 SER C C 107 175.900 176.459 -0.559 1
1 1366 . 17 1 1 A 107 107 SER CA C 107 62.200 61.846 0.354 1
1 1367 . 17 1 1 A 107 107 SER CB C 107 62.500 63.120 -0.620 1
1 1368 . 17 1 1 A 107 107 SER N N 107 117.000 115.692 1.308 1
1 1369 . 17 1 1 A 108 108 LEU H H 108 7.950 8.214 -0.264 1
1 1370 . 17 1 1 A 108 108 LEU HA H 108 4.180 4.060 0.120 1
1 1380 . 17 1 1 A 108 108 LEU C C 108 180.600 179.007 1.593 1
1 1381 . 17 1 1 A 108 108 LEU CA C 108 57.900 58.075 -0.175 1
1 1382 . 17 1 1 A 108 108 LEU CB C 108 42.500 41.879 0.621 1
1 1386 . 17 1 1 A 108 108 LEU N N 108 121.800 120.407 1.393 1
1 1387 . 17 1 1 A 109 109 ILE H H 109 8.730 8.052 0.678 1
1 1388 . 17 1 1 A 109 109 ILE HA H 109 3.830 3.689 0.141 1
1 1398 . 17 1 1 A 109 109 ILE C C 109 176.800 178.271 -1.471 1
1 1399 . 17 1 1 A 109 109 ILE CA C 109 65.800 65.632 0.168 1
1 1400 . 17 1 1 A 109 109 ILE CB C 109 38.600 37.633 0.967 1
1 1404 . 17 1 1 A 109 109 ILE N N 109 120.200 119.975 0.225 1
1 1405 . 17 1 1 A 110 110 GLU H H 110 7.960 9.000 -1.040 1
1 1406 . 17 1 1 A 110 110 GLU HA H 110 4.280 4.023 0.257 1
1 1411 . 17 1 1 A 110 110 GLU C C 110 178.500 178.528 -0.028 1
1 1412 . 17 1 1 A 110 110 GLU CA C 110 58.800 60.042 -1.242 1
1 1413 . 17 1 1 A 110 110 GLU CB C 110 28.200 29.364 -1.164 1
1 1415 . 17 1 1 A 110 110 GLU N N 110 120.800 121.298 -0.498 1
1 1416 . 17 1 1 A 111 111 ASP H H 111 8.290 7.960 0.330 1
1 1417 . 17 1 1 A 111 111 ASP HA H 111 4.470 4.507 -0.037 1
1 1420 . 17 1 1 A 111 111 ASP C C 111 178.200 178.802 -0.602 1
1 1421 . 17 1 1 A 111 111 ASP CA C 111 57.100 57.168 -0.068 1
1 1422 . 17 1 1 A 111 111 ASP CB C 111 39.300 40.108 -0.808 1
1 1423 . 17 1 1 A 111 111 ASP N N 111 119.200 120.610 -1.410 1
1 1424 . 17 1 1 A 112 112 SER H H 112 7.800 8.103 -0.303 1
1 1425 . 17 1 1 A 112 112 SER HA H 112 4.200 4.388 -0.188 1
1 1428 . 17 1 1 A 112 112 SER C C 112 178.600 176.096 2.504 1
1 1429 . 17 1 1 A 112 112 SER CA C 112 61.200 62.568 -1.368 1
1 1430 . 17 1 1 A 112 112 SER CB C 112 64.200 63.820 0.380 1
1 1431 . 17 1 1 A 112 112 SER N N 112 114.700 116.308 -1.608 1
1 1432 . 17 1 1 A 113 113 PHE H H 113 9.160 8.377 0.783 1
1 1433 . 17 1 1 A 113 113 PHE HA H 113 3.210 4.141 -0.931 1
1 1436 . 17 1 1 A 113 113 PHE C C 113 178.100 177.707 0.393 1
1 1437 . 17 1 1 A 113 113 PHE CA C 113 62.900 61.562 1.338 1
1 1438 . 17 1 1 A 113 113 PHE CB C 113 39.100 39.338 -0.238 1
1 1439 . 17 1 1 A 113 113 PHE N N 113 121.400 122.888 -1.488 1
1 1440 . 17 1 1 A 114 114 GLN H H 114 8.870 8.175 0.695 1
1 1441 . 17 1 1 A 114 114 GLN HA H 114 4.000 3.813 0.187 1
1 1448 . 17 1 1 A 114 114 GLN C C 114 179.700 178.639 1.061 1
1 1449 . 17 1 1 A 114 114 GLN CA C 114 58.300 59.034 -0.734 1
1 1450 . 17 1 1 A 114 114 GLN CB C 114 27.600 28.249 -0.649 1
1 1453 . 17 1 1 A 114 114 GLN N N 114 116.800 117.868 -1.068 1
1 1455 . 17 1 1 A 115 115 LEU H H 115 8.570 7.628 0.942 1
1 1456 . 17 1 1 A 115 115 LEU HA H 115 4.090 4.036 0.054 1
1 1466 . 17 1 1 A 115 115 LEU C C 115 178.600 178.008 0.592 1
1 1467 . 17 1 1 A 115 115 LEU CA C 115 57.300 57.857 -0.557 1
1 1468 . 17 1 1 A 115 115 LEU CB C 115 43.200 42.074 1.126 1
1 1472 . 17 1 1 A 115 115 LEU N N 115 119.800 120.120 -0.320 1
1 1473 . 17 1 1 A 116 116 THR H H 116 7.240 7.486 -0.246 1
1 1474 . 17 1 1 A 116 116 THR HA H 116 4.270 4.353 -0.083 1
1 1480 . 17 1 1 A 116 116 THR C C 116 173.200 174.362 -1.162 1
1 1481 . 17 1 1 A 116 116 THR CA C 116 60.700 61.895 -1.195 1
1 1482 . 17 1 1 A 116 116 THR CB C 116 70.800 69.195 1.605 1
1 1484 . 17 1 1 A 116 116 THR N N 116 104.900 106.822 -1.922 1
1 1485 . 17 1 1 A 117 117 ARG H H 117 6.840 7.217 -0.377 1
1 1486 . 17 1 1 A 117 117 ARG HA H 117 3.060 3.520 -0.460 1
1 1494 . 17 1 1 A 117 117 ARG C C 117 175.200 176.182 -0.982 1
1 1495 . 17 1 1 A 117 117 ARG CA C 117 55.900 56.494 -0.594 1
1 1496 . 17 1 1 A 117 117 ARG CB C 117 31.100 30.385 0.715 1
1 1500 . 17 1 1 A 117 117 ARG N N 117 120.900 123.522 -2.622 1
1 1502 . 17 1 1 A 118 118 LEU H H 118 8.380 8.456 -0.076 1
1 1503 . 17 1 1 A 118 118 LEU HA H 118 4.100 4.644 -0.544 1
1 1513 . 17 1 1 A 118 118 LEU C C 118 176.500 176.336 0.164 1
1 1514 . 17 1 1 A 118 118 LEU CA C 118 55.300 53.994 1.306 1
1 1515 . 17 1 1 A 118 118 LEU CB C 118 42.400 42.939 -0.539 1
1 1519 . 17 1 1 A 118 118 LEU N N 118 122.600 125.987 -3.387 1
1 1520 . 17 1 1 A 119 119 GLU H H 119 8.330 8.868 -0.538 1
1 1521 . 17 1 1 A 119 119 GLU HA H 119 4.160 4.343 -0.183 1
1 1526 . 17 1 1 A 119 119 GLU C C 119 175.800 174.883 0.917 1
1 1527 . 17 1 1 A 119 119 GLU CA C 119 56.000 57.240 -1.240 1
1 1528 . 17 1 1 A 119 119 GLU CB C 119 30.300 29.706 0.594 1
1 1530 . 17 1 1 A 119 119 GLU N N 119 124.000 120.653 3.347 1
1 1531 . 17 1 1 A 120 120 HIS H H 120 8.520 8.387 0.133 1
1 1532 . 17 1 1 A 120 120 HIS HA H 120 4.620 4.995 -0.375 1
1 1535 . 17 1 1 A 120 120 HIS C C 120 174.000 173.003 0.997 1
1 1536 . 17 1 1 A 120 120 HIS CA C 120 55.300 55.968 -0.668 1
1 1537 . 17 1 1 A 120 120 HIS CB C 120 29.300 31.948 -2.648 1
1 1538 . 17 1 1 A 120 120 HIS N N 120 120.100 120.336 -0.236 1
1 1539 . 17 1 1 A 121 121 HIS H H 121 8.580 7.352 1.228 1
1 1540 . 17 1 1 A 121 121 HIS HA H 121 4.620 4.746 -0.126 1
1 1543 . 17 1 1 A 121 121 HIS C C 121 173.500 172.964 0.536 1
1 1544 . 17 1 1 A 121 121 HIS CA C 121 55.300 53.874 1.426 1
1 1545 . 17 1 1 A 121 121 HIS CB C 121 29.200 32.283 -3.083 1
1 1546 . 17 1 1 A 121 121 HIS N N 121 120.800 115.913 4.887 1
1 1547 . 17 1 1 A 122 122 HIS H H 122 8.400 8.735 -0.335 1
1 1548 . 17 1 1 A 122 122 HIS HA H 122 4.620 4.251 0.369 1
1 1551 . 17 1 1 A 122 122 HIS CA C 122 55.300 56.894 -1.594 1
1 1552 . 17 1 1 A 122 122 HIS CB C 122 29.200 30.173 -0.973 1
1 1553 . 17 1 1 A 122 122 HIS N N 122 125.700 118.542 7.158 1
1 1554 . 17 1 1 A 123 123 HIS H H 123 8.690 7.718 0.972 1
1 1555 . 17 1 1 A 123 123 HIS HA H 123 4.640 5.103 -0.463 1
1 1558 . 17 1 1 A 123 123 HIS C C 123 174.100 174.324 -0.224 1
1 1559 . 17 1 1 A 123 123 HIS CA C 123 55.300 54.480 0.820 1
1 1560 . 17 1 1 A 123 123 HIS CB C 123 29.300 32.013 -2.713 1
1 1561 . 17 1 1 A 123 123 HIS N N 123 120.200 119.361 0.839 1
1 1562 . 17 1 1 A 124 124 HIS H H 124 8.710 9.122 -0.412 1
1 1563 . 17 1 1 A 124 124 HIS HA H 124 4.640 5.422 -0.782 1
1 1566 . 17 1 1 A 124 124 HIS C C 124 174.200 174.856 -0.656 1
1 1567 . 17 1 1 A 124 124 HIS CA C 124 55.300 54.590 0.710 1
1 1568 . 17 1 1 A 124 124 HIS CB C 124 29.300 32.705 -3.405 1
1 14 . 18 1 1 A 2 2 ASN H H 2 8.500 8.703 -0.203 1
1 15 . 18 1 1 A 2 2 ASN HA H 2 4.990 5.044 -0.054 1
1 20 . 18 1 1 A 2 2 ASN C C 2 175.600 177.182 -1.582 1
1 21 . 18 1 1 A 2 2 ASN CA C 2 51.000 52.414 -1.414 1
1 22 . 18 1 1 A 2 2 ASN CB C 2 40.000 39.589 0.411 1
1 24 . 18 1 1 A 2 2 ASN N N 2 122.000 117.989 4.011 1
1 26 . 18 1 1 A 3 3 ARG H H 3 8.950 9.017 -0.067 1
1 27 . 18 1 1 A 3 3 ARG HA H 3 3.850 4.029 -0.179 1
1 35 . 18 1 1 A 3 3 ARG C C 3 175.600 177.781 -2.181 1
1 36 . 18 1 1 A 3 3 ARG CA C 3 60.400 59.784 0.616 1
1 37 . 18 1 1 A 3 3 ARG CB C 3 30.900 30.008 0.892 1
1 41 . 18 1 1 A 3 3 ARG N N 3 117.600 123.761 -6.161 1
1 43 . 18 1 1 A 4 4 GLN H H 4 8.370 8.069 0.301 1
1 44 . 18 1 1 A 4 4 GLN HA H 4 3.900 4.146 -0.246 1
1 51 . 18 1 1 A 4 4 GLN C C 4 178.300 178.300 0.000 1
1 52 . 18 1 1 A 4 4 GLN CA C 4 58.900 59.308 -0.408 1
1 53 . 18 1 1 A 4 4 GLN CB C 4 28.200 28.360 -0.160 1
1 56 . 18 1 1 A 4 4 GLN N N 4 120.700 118.740 1.960 1
1 58 . 18 1 1 A 5 5 GLN H H 5 8.670 8.152 0.518 1
1 59 . 18 1 1 A 5 5 GLN HA H 5 4.190 4.127 0.063 1
1 66 . 18 1 1 A 5 5 GLN C C 5 180.000 178.513 1.487 1
1 67 . 18 1 1 A 5 5 GLN CA C 5 58.500 59.055 -0.555 1
1 68 . 18 1 1 A 5 5 GLN CB C 5 28.900 28.289 0.611 1
1 71 . 18 1 1 A 5 5 GLN N N 5 117.700 118.472 -0.772 1
1 73 . 18 1 1 A 6 6 PHE H H 6 8.270 8.120 0.150 1
1 74 . 18 1 1 A 6 6 PHE HA H 6 4.130 4.259 -0.129 1
1 82 . 18 1 1 A 6 6 PHE C C 6 175.500 177.382 -1.882 1
1 83 . 18 1 1 A 6 6 PHE CA C 6 62.700 61.189 1.511 1
1 84 . 18 1 1 A 6 6 PHE CB C 6 39.000 39.315 -0.315 1
1 90 . 18 1 1 A 6 6 PHE N N 6 121.200 121.266 -0.066 1
1 91 . 18 1 1 A 7 7 ILE H H 7 8.390 8.221 0.169 1
1 92 . 18 1 1 A 7 7 ILE HA H 7 3.280 3.660 -0.380 1
1 102 . 18 1 1 A 7 7 ILE C C 7 178.900 177.752 1.148 1
1 103 . 18 1 1 A 7 7 ILE CA C 7 66.400 65.375 1.025 1
1 104 . 18 1 1 A 7 7 ILE CB C 7 38.500 38.074 0.426 1
1 108 . 18 1 1 A 7 7 ILE N N 7 121.000 121.049 -0.049 1
1 109 . 18 1 1 A 8 8 ASP H H 8 8.710 8.255 0.455 1
1 110 . 18 1 1 A 8 8 ASP HA H 8 4.370 4.278 0.092 1
1 113 . 18 1 1 A 8 8 ASP C C 8 178.000 177.733 0.267 1
1 114 . 18 1 1 A 8 8 ASP CA C 8 57.300 57.286 0.014 1
1 115 . 18 1 1 A 8 8 ASP CB C 8 40.600 41.163 -0.563 1
1 116 . 18 1 1 A 8 8 ASP N N 8 119.800 120.639 -0.839 1
1 117 . 18 1 1 A 9 9 TYR H H 9 8.060 8.841 -0.781 1
1 118 . 18 1 1 A 9 9 TYR HA H 9 4.000 4.140 -0.140 1
1 125 . 18 1 1 A 9 9 TYR C C 9 176.500 177.625 -1.125 1
1 126 . 18 1 1 A 9 9 TYR CA C 9 61.700 61.526 0.174 1
1 127 . 18 1 1 A 9 9 TYR CB C 9 38.600 38.508 0.092 1
1 132 . 18 1 1 A 9 9 TYR N N 9 121.600 120.922 0.678 1
1 133 . 18 1 1 A 10 10 ALA H H 10 8.340 8.259 0.081 1
1 134 . 18 1 1 A 10 10 ALA HA H 10 3.730 3.925 -0.195 1
1 138 . 18 1 1 A 10 10 ALA C C 10 180.200 180.140 0.060 1
1 139 . 18 1 1 A 10 10 ALA CA C 10 55.200 54.704 0.496 1
1 140 . 18 1 1 A 10 10 ALA CB C 10 17.300 18.214 -0.914 1
1 141 . 18 1 1 A 10 10 ALA N N 10 120.700 121.403 -0.703 1
1 142 . 18 1 1 A 11 11 GLN H H 11 7.830 8.398 -0.568 1
1 143 . 18 1 1 A 11 11 GLN HA H 11 4.130 3.888 0.242 1
1 150 . 18 1 1 A 11 11 GLN C C 11 178.300 177.990 0.310 1
1 151 . 18 1 1 A 11 11 GLN CA C 11 59.200 59.096 0.104 1
1 152 . 18 1 1 A 11 11 GLN CB C 11 28.600 28.340 0.260 1
1 155 . 18 1 1 A 11 11 GLN N N 11 116.600 117.907 -1.307 1
1 157 . 18 1 1 A 12 12 LYS H H 12 8.040 7.951 0.089 1
1 158 . 18 1 1 A 12 12 LYS HA H 12 3.890 4.027 -0.137 1
1 167 . 18 1 1 A 12 12 LYS C C 12 178.200 178.447 -0.247 1
1 168 . 18 1 1 A 12 12 LYS CA C 12 58.800 58.118 0.682 1
1 169 . 18 1 1 A 12 12 LYS CB C 12 32.700 32.458 0.242 1
1 173 . 18 1 1 A 12 12 LYS N N 12 119.300 118.135 1.165 1
1 174 . 18 1 1 A 13 13 LYS H H 13 8.440 7.460 0.980 1
1 175 . 18 1 1 A 13 13 LYS HA H 13 3.610 3.582 0.028 1
1 184 . 18 1 1 A 13 13 LYS C C 13 177.600 176.980 0.620 1
1 185 . 18 1 1 A 13 13 LYS CA C 13 56.900 57.749 -0.849 1
1 186 . 18 1 1 A 13 13 LYS CB C 13 32.000 32.472 -0.472 1
1 190 . 18 1 1 A 13 13 LYS N N 13 117.700 119.374 -1.674 1
1 191 . 18 1 1 A 14 14 TYR H H 14 6.780 7.719 -0.939 1
1 192 . 18 1 1 A 14 14 TYR HA H 14 4.530 4.371 0.159 1
1 199 . 18 1 1 A 14 14 TYR C C 14 175.800 174.482 1.318 1
1 200 . 18 1 1 A 14 14 TYR CA C 14 56.600 57.509 -0.909 1
1 201 . 18 1 1 A 14 14 TYR CB C 14 39.500 39.266 0.234 1
1 206 . 18 1 1 A 14 14 TYR N N 14 113.100 113.926 -0.826 1
1 207 . 18 1 1 A 15 15 ASP H H 15 7.620 8.115 -0.495 1
1 208 . 18 1 1 A 15 15 ASP HA H 15 4.810 4.405 0.405 1
1 211 . 18 1 1 A 15 15 ASP C C 15 175.200 174.627 0.573 1
1 212 . 18 1 1 A 15 15 ASP CA C 15 55.100 54.954 0.146 1
1 213 . 18 1 1 A 15 15 ASP CB C 15 39.300 39.444 -0.144 1
1 214 . 18 1 1 A 15 15 ASP N N 15 119.600 120.044 -0.444 1
1 215 . 18 1 1 A 16 16 THR H H 16 7.560 7.724 -0.164 1
1 216 . 18 1 1 A 16 16 THR HA H 16 4.650 4.346 0.304 1
1 222 . 18 1 1 A 16 16 THR C C 16 173.200 173.680 -0.480 1
1 223 . 18 1 1 A 16 16 THR CA C 16 61.500 61.846 -0.346 1
1 224 . 18 1 1 A 16 16 THR CB C 16 71.000 69.858 1.142 1
1 226 . 18 1 1 A 16 16 THR N N 16 113.100 114.019 -0.919 1
1 227 . 18 1 1 A 17 17 LYS H H 17 8.830 8.592 0.238 1
1 228 . 18 1 1 A 17 17 LYS HA H 17 4.690 4.513 0.177 1
1 235 . 18 1 1 A 17 17 LYS C C 17 173.200 175.306 -2.106 1
1 236 . 18 1 1 A 17 17 LYS CA C 17 53.600 54.077 -0.477 1
1 237 . 18 1 1 A 17 17 LYS CB C 17 32.800 33.155 -0.355 1
1 241 . 18 1 1 A 17 17 LYS N N 17 127.200 127.864 -0.664 1
1 242 . 18 1 1 A 18 18 PRO HA H 18 3.540 4.377 -0.837 1
1 249 . 18 1 1 A 18 18 PRO C C 18 175.800 175.439 0.361 1
1 250 . 18 1 1 A 18 18 PRO CA C 18 62.000 62.671 -0.671 1
1 251 . 18 1 1 A 18 18 PRO CB C 18 32.200 32.169 0.031 1
1 254 . 18 1 1 A 19 19 ASP H H 19 8.310 8.116 0.194 1
1 255 . 18 1 1 A 19 19 ASP HA H 19 4.740 5.144 -0.404 1
1 258 . 18 1 1 A 19 19 ASP C C 19 175.100 174.081 1.019 1
1 259 . 18 1 1 A 19 19 ASP CA C 19 52.300 52.673 -0.373 1
1 260 . 18 1 1 A 19 19 ASP CB C 19 43.700 44.577 -0.877 1
1 261 . 18 1 1 A 19 19 ASP N N 19 120.300 119.449 0.851 1
1 262 . 18 1 1 A 20 20 HIS H H 20 8.620 8.887 -0.267 1
1 263 . 18 1 1 A 20 20 HIS HA H 20 5.170 5.175 -0.005 1
1 266 . 18 1 1 A 20 20 HIS CA C 20 53.200 52.455 0.745 1
1 267 . 18 1 1 A 20 20 HIS CB C 20 28.800 29.787 -0.987 1
1 268 . 18 1 1 A 20 20 HIS N N 20 118.800 117.260 1.540 1
1 269 . 18 1 1 A 21 21 PRO HA H 21 4.190 4.098 0.092 1
1 276 . 18 1 1 A 21 21 PRO C C 21 176.600 176.342 0.258 1
1 277 . 18 1 1 A 21 21 PRO CA C 21 63.900 64.937 -1.037 1
1 278 . 18 1 1 A 21 21 PRO CB C 21 32.100 31.241 0.859 1
1 281 . 18 1 1 A 22 22 TRP H H 22 8.340 7.629 0.711 1
1 282 . 18 1 1 A 22 22 TRP HA H 22 5.000 4.782 0.218 1
1 291 . 18 1 1 A 22 22 TRP C C 22 174.200 177.484 -3.284 1
1 292 . 18 1 1 A 22 22 TRP CA C 22 57.100 56.846 0.254 1
1 293 . 18 1 1 A 22 22 TRP CB C 22 29.400 28.848 0.552 1
1 299 . 18 1 1 A 22 22 TRP N N 22 118.700 118.234 0.466 1
1 301 . 18 1 1 A 23 23 GLU H H 23 9.030 8.406 0.624 1
1 302 . 18 1 1 A 23 23 GLU HA H 23 4.000 4.215 -0.215 1
1 307 . 18 1 1 A 23 23 GLU C C 23 177.900 177.696 0.204 1
1 308 . 18 1 1 A 23 23 GLU CA C 23 59.100 58.865 0.235 1
1 309 . 18 1 1 A 23 23 GLU CB C 23 29.200 28.940 0.260 1
1 311 . 18 1 1 A 23 23 GLU N N 23 128.400 124.003 4.397 1
1 312 . 18 1 1 A 24 24 LYS H H 24 8.500 7.921 0.579 1
1 313 . 18 1 1 A 24 24 LYS HA H 24 3.890 4.002 -0.112 1
1 322 . 18 1 1 A 24 24 LYS C C 24 175.300 176.206 -0.906 1
1 323 . 18 1 1 A 24 24 LYS CA C 24 57.100 57.913 -0.813 1
1 324 . 18 1 1 A 24 24 LYS CB C 24 32.300 31.958 0.342 1
1 328 . 18 1 1 A 24 24 LYS N N 24 115.100 117.742 -2.642 1
1 329 . 18 1 1 A 25 25 PHE H H 25 7.010 7.875 -0.865 1
1 330 . 18 1 1 A 25 25 PHE HA H 25 4.740 5.115 -0.375 1
1 338 . 18 1 1 A 25 25 PHE C C 25 175.300 174.766 0.534 1
1 339 . 18 1 1 A 25 25 PHE CA C 25 54.300 55.119 -0.819 1
1 340 . 18 1 1 A 25 25 PHE CB C 25 39.200 38.806 0.394 1
1 346 . 18 1 1 A 25 25 PHE N N 25 115.100 117.639 -2.539 1
1 347 . 18 1 1 A 26 26 PRO HA H 26 4.380 4.718 -0.338 1
1 354 . 18 1 1 A 26 26 PRO C C 26 176.900 177.607 -0.707 1
1 355 . 18 1 1 A 26 26 PRO CA C 26 64.900 65.155 -0.255 1
1 356 . 18 1 1 A 26 26 PRO CB C 26 32.200 32.078 0.122 1
1 359 . 18 1 1 A 27 27 ASP H H 27 8.860 8.693 0.167 1
1 360 . 18 1 1 A 27 27 ASP HA H 27 4.810 4.683 0.127 1
1 363 . 18 1 1 A 27 27 ASP C C 27 177.200 175.660 1.540 1
1 364 . 18 1 1 A 27 27 ASP CA C 27 53.900 54.912 -1.012 1
1 365 . 18 1 1 A 27 27 ASP CB C 27 39.900 40.058 -0.158 1
1 366 . 18 1 1 A 27 27 ASP N N 27 114.400 116.131 -1.731 1
1 367 . 18 1 1 A 28 28 TYR H H 28 8.300 8.154 0.146 1
1 368 . 18 1 1 A 28 28 TYR HA H 28 5.500 5.201 0.299 1
1 375 . 18 1 1 A 28 28 TYR C C 28 175.900 175.677 0.223 1
1 376 . 18 1 1 A 28 28 TYR CA C 28 55.600 57.198 -1.598 1
1 377 . 18 1 1 A 28 28 TYR CB C 28 36.400 40.814 -4.414 1
1 382 . 18 1 1 A 28 28 TYR N N 28 123.700 120.129 3.571 1
1 383 . 18 1 1 A 29 29 ALA H H 29 9.240 8.965 0.275 1
1 384 . 18 1 1 A 29 29 ALA HA H 29 5.030 5.226 -0.196 1
1 388 . 18 1 1 A 29 29 ALA C C 29 174.600 175.773 -1.173 1
1 389 . 18 1 1 A 29 29 ALA CA C 29 49.700 50.973 -1.273 1
1 390 . 18 1 1 A 29 29 ALA CB C 29 22.800 22.598 0.202 1
1 391 . 18 1 1 A 29 29 ALA N N 29 126.000 124.239 1.761 1
1 392 . 18 1 1 A 30 30 VAL H H 30 8.530 9.267 -0.737 1
1 393 . 18 1 1 A 30 30 VAL HA H 30 4.250 4.663 -0.413 1
1 401 . 18 1 1 A 30 30 VAL C C 30 173.400 175.185 -1.785 1
1 402 . 18 1 1 A 30 30 VAL CA C 30 60.300 61.234 -0.934 1
1 403 . 18 1 1 A 30 30 VAL CB C 30 34.100 33.423 0.677 1
1 406 . 18 1 1 A 30 30 VAL N N 30 119.700 122.509 -2.809 1
1 407 . 18 1 1 A 31 31 PHE H H 31 8.040 9.120 -1.080 1
1 408 . 18 1 1 A 31 31 PHE HA H 31 4.250 5.182 -0.932 1
1 416 . 18 1 1 A 31 31 PHE C C 31 173.200 175.544 -2.344 1
1 417 . 18 1 1 A 31 31 PHE CA C 31 56.700 57.076 -0.376 1
1 418 . 18 1 1 A 31 31 PHE CB C 31 38.500 40.880 -2.380 1
1 424 . 18 1 1 A 31 31 PHE N N 31 124.100 127.205 -3.105 1
1 425 . 18 1 1 A 32 32 ARG H H 32 8.720 8.983 -0.263 1
1 426 . 18 1 1 A 32 32 ARG HA H 32 5.320 5.431 -0.111 1
1 434 . 18 1 1 A 32 32 ARG C C 32 176.400 174.355 2.045 1
1 435 . 18 1 1 A 32 32 ARG CA C 32 53.400 54.535 -1.135 1
1 436 . 18 1 1 A 32 32 ARG CB C 32 34.200 34.179 0.021 1
1 440 . 18 1 1 A 32 32 ARG N N 32 122.300 122.425 -0.125 1
1 442 . 18 1 1 A 33 33 HIS H H 33 8.560 8.898 -0.338 1
1 443 . 18 1 1 A 33 33 HIS HA H 33 4.710 4.957 -0.247 1
1 446 . 18 1 1 A 33 33 HIS C C 33 176.400 174.973 1.427 1
1 447 . 18 1 1 A 33 33 HIS CA C 33 56.500 54.267 2.233 1
1 448 . 18 1 1 A 33 33 HIS CB C 33 28.900 30.580 -1.680 1
1 449 . 18 1 1 A 33 33 HIS N N 33 119.800 124.821 -5.021 1
1 450 . 18 1 1 A 34 34 SER H H 34 9.160 9.068 0.092 1
1 451 . 18 1 1 A 34 34 SER HA H 34 4.390 4.012 0.378 1
1 454 . 18 1 1 A 34 34 SER C C 34 174.900 175.904 -1.004 1
1 455 . 18 1 1 A 34 34 SER CA C 34 60.400 61.075 -0.675 1
1 456 . 18 1 1 A 34 34 SER CB C 34 63.200 62.922 0.278 1
1 457 . 18 1 1 A 34 34 SER N N 34 118.700 122.552 -3.852 1
1 458 . 18 1 1 A 35 35 ASP H H 35 8.660 7.792 0.868 1
1 459 . 18 1 1 A 35 35 ASP HA H 35 4.570 4.228 0.342 1
1 462 . 18 1 1 A 35 35 ASP C C 35 177.000 177.733 -0.733 1
1 463 . 18 1 1 A 35 35 ASP CA C 35 54.300 57.212 -2.912 1
1 464 . 18 1 1 A 35 35 ASP CB C 35 39.700 41.063 -1.363 1
1 465 . 18 1 1 A 35 35 ASP N N 35 118.200 121.439 -3.239 1
1 466 . 18 1 1 A 36 36 ASN H H 36 7.900 7.349 0.551 1
1 467 . 18 1 1 A 36 36 ASN HA H 36 4.660 4.733 -0.073 1
1 472 . 18 1 1 A 36 36 ASN C C 36 175.100 174.523 0.577 1
1 473 . 18 1 1 A 36 36 ASN CA C 36 52.000 52.629 -0.629 1
1 474 . 18 1 1 A 36 36 ASN CB C 36 38.900 38.965 -0.065 1
1 476 . 18 1 1 A 36 36 ASN N N 36 116.200 114.752 1.448 1
1 478 . 18 1 1 A 37 37 ASP H H 37 7.890 8.014 -0.124 1
1 479 . 18 1 1 A 37 37 ASP HA H 37 4.670 4.137 0.533 1
1 482 . 18 1 1 A 37 37 ASP C C 37 175.800 175.123 0.677 1
1 483 . 18 1 1 A 37 37 ASP CA C 37 55.800 55.541 0.259 1
1 484 . 18 1 1 A 37 37 ASP CB C 37 40.500 38.893 1.607 1
1 485 . 18 1 1 A 37 37 ASP N N 37 115.300 117.373 -2.073 1
1 486 . 18 1 1 A 38 38 LYS H H 38 8.310 7.173 1.137 1
1 487 . 18 1 1 A 38 38 LYS HA H 38 4.390 4.318 0.072 1
1 496 . 18 1 1 A 38 38 LYS C C 38 175.300 174.993 0.307 1
1 497 . 18 1 1 A 38 38 LYS CA C 38 56.700 55.448 1.252 1
1 498 . 18 1 1 A 38 38 LYS CB C 38 32.500 32.406 0.094 1
1 502 . 18 1 1 A 38 38 LYS N N 38 119.300 112.987 6.313 1
1 503 . 18 1 1 A 39 39 TRP HA H 39 5.000 4.239 0.761 1
1 512 . 18 1 1 A 39 39 TRP C C 39 176.100 174.739 1.361 1
1 513 . 18 1 1 A 39 39 TRP CA C 39 55.700 57.945 -2.245 1
1 514 . 18 1 1 A 39 39 TRP CB C 39 30.300 27.728 2.572 1
1 521 . 18 1 1 A 40 40 TYR H H 40 9.270 8.287 0.983 1
1 522 . 18 1 1 A 40 40 TYR HA H 40 5.280 4.857 0.423 1
1 525 . 18 1 1 A 40 40 TYR C C 40 175.400 174.931 0.469 1
1 526 . 18 1 1 A 40 40 TYR CA C 40 55.700 56.259 -0.559 1
1 527 . 18 1 1 A 40 40 TYR CB C 40 40.300 39.857 0.443 1
1 528 . 18 1 1 A 40 40 TYR N N 40 114.000 124.648 -10.648 1
1 529 . 18 1 1 A 41 41 ALA H H 41 7.760 8.866 -1.106 1
1 530 . 18 1 1 A 41 41 ALA HA H 41 5.580 4.963 0.617 1
1 534 . 18 1 1 A 41 41 ALA C C 41 177.300 175.475 1.825 1
1 535 . 18 1 1 A 41 41 ALA CA C 41 52.900 51.353 1.547 1
1 536 . 18 1 1 A 41 41 ALA CB C 41 21.900 23.413 -1.513 1
1 537 . 18 1 1 A 41 41 ALA N N 41 121.500 122.868 -1.368 1
1 538 . 18 1 1 A 42 42 LEU H H 42 8.300 8.170 0.130 1
1 539 . 18 1 1 A 42 42 LEU HA H 42 5.200 5.009 0.191 1
1 549 . 18 1 1 A 42 42 LEU C C 42 173.300 173.855 -0.555 1
1 550 . 18 1 1 A 42 42 LEU CA C 42 54.100 54.288 -0.188 1
1 551 . 18 1 1 A 42 42 LEU CB C 42 45.900 45.812 0.088 1
1 555 . 18 1 1 A 42 42 LEU N N 42 123.700 121.734 1.966 1
1 556 . 18 1 1 A 43 43 LEU H H 43 9.700 9.214 0.486 1
1 557 . 18 1 1 A 43 43 LEU HA H 43 5.250 5.428 -0.178 1
1 567 . 18 1 1 A 43 43 LEU C C 43 173.300 175.197 -1.897 1
1 568 . 18 1 1 A 43 43 LEU CA C 43 54.000 53.495 0.505 1
1 569 . 18 1 1 A 43 43 LEU CB C 43 46.000 44.990 1.010 1
1 573 . 18 1 1 A 43 43 LEU N N 43 130.400 129.040 1.360 1
1 574 . 18 1 1 A 44 44 MET H H 44 8.800 8.439 0.361 1
1 575 . 18 1 1 A 44 44 MET HA H 44 4.420 4.975 -0.555 1
1 583 . 18 1 1 A 44 44 MET C C 44 172.500 173.290 -0.790 1
1 584 . 18 1 1 A 44 44 MET CA C 44 55.000 53.392 1.608 1
1 585 . 18 1 1 A 44 44 MET CB C 44 39.100 35.046 4.054 1
1 588 . 18 1 1 A 44 44 MET N N 44 122.800 122.454 0.346 1
1 589 . 18 1 1 A 45 45 ASP H H 45 7.960 8.366 -0.406 1
1 590 . 18 1 1 A 45 45 ASP HA H 45 5.490 5.245 0.245 1
1 593 . 18 1 1 A 45 45 ASP C C 45 175.200 175.751 -0.551 1
1 594 . 18 1 1 A 45 45 ASP CA C 45 51.900 53.572 -1.672 1
1 595 . 18 1 1 A 45 45 ASP CB C 45 40.800 41.828 -1.028 1
1 596 . 18 1 1 A 45 45 ASP N N 45 119.400 118.931 0.469 1
1 597 . 18 1 1 A 46 46 ILE H H 46 8.800 8.357 0.443 1
1 598 . 18 1 1 A 46 46 ILE HA H 46 4.870 4.924 -0.054 1
1 608 . 18 1 1 A 46 46 ILE CA C 46 57.700 57.023 0.677 1
1 609 . 18 1 1 A 46 46 ILE CB C 46 40.100 40.299 -0.199 1
1 613 . 18 1 1 A 46 46 ILE N N 46 117.400 117.932 -0.532 1
1 614 . 18 1 1 A 47 47 PRO HA H 47 4.420 4.521 -0.101 1
1 621 . 18 1 1 A 47 47 PRO C C 47 177.800 177.329 0.471 1
1 622 . 18 1 1 A 47 47 PRO CA C 47 63.000 62.771 0.229 1
1 623 . 18 1 1 A 47 47 PRO CB C 47 31.900 32.869 -0.969 1
1 626 . 18 1 1 A 48 48 ALA H H 48 8.550 8.965 -0.415 1
1 627 . 18 1 1 A 48 48 ALA HA H 48 3.550 3.970 -0.420 1
1 631 . 18 1 1 A 48 48 ALA C C 48 179.200 179.720 -0.520 1
1 632 . 18 1 1 A 48 48 ALA CA C 48 55.200 54.751 0.449 1
1 633 . 18 1 1 A 48 48 ALA CB C 48 17.700 18.115 -0.415 1
1 634 . 18 1 1 A 48 48 ALA N N 48 130.100 127.359 2.741 1
1 635 . 18 1 1 A 49 49 GLU H H 49 8.700 8.536 0.164 1
1 636 . 18 1 1 A 49 49 GLU HA H 49 4.180 4.042 0.138 1
1 641 . 18 1 1 A 49 49 GLU C C 49 179.800 177.453 2.347 1
1 642 . 18 1 1 A 49 49 GLU CA C 49 58.200 58.632 -0.432 1
1 643 . 18 1 1 A 49 49 GLU CB C 49 28.200 28.404 -0.204 1
1 645 . 18 1 1 A 49 49 GLU N N 49 114.900 116.649 -1.749 1
1 646 . 18 1 1 A 50 50 LYS H H 50 7.910 7.668 0.242 1
1 647 . 18 1 1 A 50 50 LYS HA H 50 4.060 4.105 -0.045 1
1 656 . 18 1 1 A 50 50 LYS C C 50 178.100 177.862 0.238 1
1 657 . 18 1 1 A 50 50 LYS CA C 50 56.900 57.425 -0.525 1
1 658 . 18 1 1 A 50 50 LYS CB C 50 31.700 32.327 -0.627 1
1 662 . 18 1 1 A 50 50 LYS N N 50 118.100 118.268 -0.168 1
1 663 . 18 1 1 A 51 51 ILE H H 51 7.190 7.702 -0.512 1
1 664 . 18 1 1 A 51 51 ILE HA H 51 4.490 4.070 0.420 1
1 674 . 18 1 1 A 51 51 ILE C C 51 175.300 176.567 -1.267 1
1 675 . 18 1 1 A 51 51 ILE CA C 51 60.100 59.907 0.193 1
1 676 . 18 1 1 A 51 51 ILE CB C 51 37.400 38.047 -0.647 1
1 680 . 18 1 1 A 51 51 ILE N N 51 109.000 112.814 -3.814 1
1 681 . 18 1 1 A 52 52 GLY H H 52 7.370 7.780 -0.410 1
1 682 . 18 1 1 A 52 52 GLY HA2 H 52 4.050 3.900 0.150 1
1 683 . 18 1 1 A 52 52 GLY HA3 H 52 3.730 3.917 -0.187 1
1 684 . 18 1 1 A 52 52 GLY C C 52 174.200 173.907 0.293 1
1 685 . 18 1 1 A 52 52 GLY CA C 52 46.100 45.178 0.922 1
1 686 . 18 1 1 A 52 52 GLY N N 52 106.900 111.213 -4.313 1
1 687 . 18 1 1 A 53 53 ILE H H 53 7.260 6.956 0.304 1
1 688 . 18 1 1 A 53 53 ILE HA H 53 4.040 4.050 -0.010 1
1 698 . 18 1 1 A 53 53 ILE C C 53 174.700 176.986 -2.286 1
1 699 . 18 1 1 A 53 53 ILE CA C 53 60.500 60.876 -0.376 1
1 700 . 18 1 1 A 53 53 ILE CB C 53 38.700 38.566 0.134 1
1 704 . 18 1 1 A 53 53 ILE N N 53 121.900 122.367 -0.467 1
1 705 . 18 1 1 A 54 54 ASN H H 54 8.280 9.076 -0.796 1
1 706 . 18 1 1 A 54 54 ASN HA H 54 4.540 4.355 0.185 1
1 711 . 18 1 1 A 54 54 ASN C C 54 175.400 175.290 0.110 1
1 712 . 18 1 1 A 54 54 ASN CA C 54 53.700 55.123 -1.423 1
1 713 . 18 1 1 A 54 54 ASN CB C 54 39.000 37.115 1.885 1
1 715 . 18 1 1 A 54 54 ASN N N 54 123.300 120.099 3.201 1
1 717 . 18 1 1 A 55 55 GLY H H 55 8.240 7.573 0.667 1
1 718 . 18 1 1 A 55 55 GLY HA2 H 55 4.230 4.099 0.131 1
1 719 . 18 1 1 A 55 55 GLY HA3 H 55 3.740 4.110 -0.370 1
1 720 . 18 1 1 A 55 55 GLY C C 55 173.200 173.560 -0.360 1
1 721 . 18 1 1 A 55 55 GLY CA C 55 44.800 45.370 -0.570 1
1 722 . 18 1 1 A 55 55 GLY N N 55 110.200 103.831 6.369 1
1 723 . 18 1 1 A 56 56 ASP H H 56 8.320 9.138 -0.818 1
1 724 . 18 1 1 A 56 56 ASP HA H 56 4.700 4.249 0.451 1
1 727 . 18 1 1 A 56 56 ASP C C 56 175.800 175.573 0.227 1
1 728 . 18 1 1 A 56 56 ASP CA C 56 53.400 54.922 -1.522 1
1 729 . 18 1 1 A 56 56 ASP CB C 56 40.500 39.873 0.627 1
1 730 . 18 1 1 A 56 56 ASP N N 56 119.000 124.301 -5.301 1
1 731 . 18 1 1 A 57 57 LYS H H 57 7.780 7.689 0.091 1
1 732 . 18 1 1 A 57 57 LYS HA H 57 4.400 4.718 -0.318 1
1 741 . 18 1 1 A 57 57 LYS C C 57 175.700 175.347 0.353 1
1 742 . 18 1 1 A 57 57 LYS CA C 57 55.600 54.559 1.041 1
1 743 . 18 1 1 A 57 57 LYS CB C 57 33.700 34.591 -0.891 1
1 747 . 18 1 1 A 57 57 LYS N N 57 119.500 118.834 0.666 1
1 748 . 18 1 1 A 58 58 ARG H H 58 8.410 8.633 -0.223 1
1 749 . 18 1 1 A 58 58 ARG HA H 58 4.740 4.509 0.231 1
1 757 . 18 1 1 A 58 58 ARG C C 58 176.200 176.287 -0.087 1
1 758 . 18 1 1 A 58 58 ARG CA C 58 55.300 55.906 -0.606 1
1 759 . 18 1 1 A 58 58 ARG CB C 58 31.700 30.606 1.094 1
1 763 . 18 1 1 A 58 58 ARG N N 58 120.900 126.614 -5.714 1
1 765 . 18 1 1 A 59 59 VAL H H 59 9.030 8.411 0.619 1
1 766 . 18 1 1 A 59 59 VAL HA H 59 4.570 4.879 -0.309 1
1 774 . 18 1 1 A 59 59 VAL C C 59 173.900 173.841 0.059 1
1 775 . 18 1 1 A 59 59 VAL CA C 59 58.700 58.675 0.025 1
1 776 . 18 1 1 A 59 59 VAL CB C 59 34.700 35.915 -1.215 1
1 779 . 18 1 1 A 59 59 VAL N N 59 115.600 118.210 -2.610 1
1 780 . 18 1 1 A 60 60 ASP H H 60 8.290 8.595 -0.305 1
1 781 . 18 1 1 A 60 60 ASP HA H 60 5.560 5.284 0.276 1
1 784 . 18 1 1 A 60 60 ASP C C 60 175.800 175.515 0.285 1
1 785 . 18 1 1 A 60 60 ASP CA C 60 53.600 53.475 0.125 1
1 786 . 18 1 1 A 60 60 ASP CB C 60 43.100 42.412 0.688 1
1 787 . 18 1 1 A 60 60 ASP N N 60 120.700 121.296 -0.596 1
1 788 . 18 1 1 A 61 61 VAL H H 61 9.080 8.523 0.557 1
1 789 . 18 1 1 A 61 61 VAL HA H 61 5.150 5.158 -0.008 1
1 797 . 18 1 1 A 61 61 VAL C C 61 173.800 174.258 -0.458 1
1 798 . 18 1 1 A 61 61 VAL CA C 61 57.600 59.078 -1.478 1
1 799 . 18 1 1 A 61 61 VAL CB C 61 35.500 35.817 -0.317 1
1 802 . 18 1 1 A 61 61 VAL N N 61 115.200 116.825 -1.625 1
1 803 . 18 1 1 A 62 62 ILE H H 62 8.530 8.414 0.116 1
1 804 . 18 1 1 A 62 62 ILE HA H 62 5.550 5.248 0.302 1
1 814 . 18 1 1 A 62 62 ILE CA C 62 57.800 58.720 -0.920 1
1 815 . 18 1 1 A 62 62 ILE CB C 62 41.700 41.942 -0.242 1
1 819 . 18 1 1 A 62 62 ILE N N 62 112.000 118.160 -6.160 1
1 820 . 18 1 1 A 64 64 LEU HA H 64 4.960 5.029 -0.069 1
1 830 . 18 1 1 A 64 64 LEU C C 64 173.100 175.437 -2.337 1
1 831 . 18 1 1 A 64 64 LEU CA C 64 53.500 52.964 0.536 1
1 832 . 18 1 1 A 64 64 LEU CB C 64 47.000 46.085 0.915 1
1 836 . 18 1 1 A 65 65 LYS H H 65 8.470 8.321 0.149 1
1 837 . 18 1 1 A 65 65 LYS HA H 65 3.760 5.254 -1.494 1
1 846 . 18 1 1 A 65 65 LYS C C 65 175.100 176.156 -1.056 1
1 847 . 18 1 1 A 65 65 LYS CA C 65 55.700 55.833 -0.133 1
1 848 . 18 1 1 A 65 65 LYS CB C 65 33.600 33.403 0.197 1
1 852 . 18 1 1 A 65 65 LYS N N 65 126.700 119.360 7.340 1
1 853 . 18 1 1 A 66 66 VAL H H 66 7.840 8.591 -0.751 1
1 854 . 18 1 1 A 66 66 VAL HA H 66 4.410 4.859 -0.449 1
1 862 . 18 1 1 A 66 66 VAL C C 66 175.300 174.883 0.417 1
1 863 . 18 1 1 A 66 66 VAL CA C 66 58.300 58.685 -0.385 1
1 864 . 18 1 1 A 66 66 VAL CB C 66 36.400 35.855 0.545 1
1 867 . 18 1 1 A 66 66 VAL N N 66 116.000 117.344 -1.344 1
1 868 . 18 1 1 A 67 67 GLN H H 67 8.620 8.519 0.101 1
1 869 . 18 1 1 A 67 67 GLN HA H 67 4.350 4.429 -0.079 1
1 876 . 18 1 1 A 67 67 GLN CA C 67 54.900 54.188 0.712 1
1 877 . 18 1 1 A 67 67 GLN CB C 67 27.600 28.072 -0.472 1
1 880 . 18 1 1 A 67 67 GLN N N 67 123.000 121.043 1.957 1
1 882 . 18 1 1 A 68 68 PRO HA H 68 4.200 4.315 -0.115 1
1 889 . 18 1 1 A 68 68 PRO C C 68 179.400 177.760 1.640 1
1 890 . 18 1 1 A 68 68 PRO CA C 68 65.100 64.375 0.725 1
1 891 . 18 1 1 A 68 68 PRO CB C 68 31.700 31.770 -0.070 1
1 894 . 18 1 1 A 69 69 GLU H H 69 9.620 8.405 1.215 1
1 895 . 18 1 1 A 69 69 GLU HA H 69 4.190 4.182 0.008 1
1 900 . 18 1 1 A 69 69 GLU C C 69 177.100 177.981 -0.881 1
1 901 . 18 1 1 A 69 69 GLU CA C 69 58.600 58.793 -0.193 1
1 902 . 18 1 1 A 69 69 GLU CB C 69 28.100 29.831 -1.731 1
1 904 . 18 1 1 A 69 69 GLU N N 69 116.900 117.725 -0.825 1
1 905 . 18 1 1 A 70 70 LEU H H 70 7.940 7.700 0.240 1
1 906 . 18 1 1 A 70 70 LEU HA H 70 4.460 4.401 0.059 1
1 916 . 18 1 1 A 70 70 LEU C C 70 177.600 177.894 -0.294 1
1 917 . 18 1 1 A 70 70 LEU CA C 70 54.500 54.832 -0.332 1
1 918 . 18 1 1 A 70 70 LEU CB C 70 42.800 42.346 0.454 1
1 922 . 18 1 1 A 70 70 LEU N N 70 118.700 118.863 -0.163 1
1 923 . 18 1 1 A 71 71 VAL H H 71 7.080 7.529 -0.449 1
1 924 . 18 1 1 A 71 71 VAL HA H 71 3.210 3.766 -0.556 1
1 932 . 18 1 1 A 71 71 VAL C C 71 176.800 177.938 -1.138 1
1 933 . 18 1 1 A 71 71 VAL CA C 71 67.700 65.945 1.755 1
1 934 . 18 1 1 A 71 71 VAL CB C 71 32.000 31.171 0.829 1
1 937 . 18 1 1 A 71 71 VAL N N 71 120.300 119.962 0.338 1
1 938 . 18 1 1 A 72 72 GLY H H 72 8.540 8.425 0.115 1
1 939 . 18 1 1 A 72 72 GLY HA2 H 72 3.770 3.867 -0.097 1
1 940 . 18 1 1 A 72 72 GLY HA3 H 72 3.630 3.869 -0.239 1
1 941 . 18 1 1 A 72 72 GLY C C 72 176.300 175.701 0.599 1
1 942 . 18 1 1 A 72 72 GLY CA C 72 47.000 46.285 0.715 1
1 943 . 18 1 1 A 72 72 GLY N N 72 105.300 109.066 -3.766 1
1 944 . 18 1 1 A 73 73 SER H H 73 7.870 8.102 -0.232 1
1 945 . 18 1 1 A 73 73 SER HA H 73 4.170 4.174 -0.004 1
1 948 . 18 1 1 A 73 73 SER C C 73 178.000 176.443 1.557 1
1 949 . 18 1 1 A 73 73 SER CA C 73 60.600 61.173 -0.573 1
1 950 . 18 1 1 A 73 73 SER CB C 73 62.700 62.877 -0.177 1
1 951 . 18 1 1 A 73 73 SER N N 73 115.700 117.393 -1.693 1
1 952 . 18 1 1 A 74 74 LEU H H 74 8.340 7.984 0.356 1
1 953 . 18 1 1 A 74 74 LEU HA H 74 4.000 4.044 -0.044 1
1 963 . 18 1 1 A 74 74 LEU C C 74 178.400 179.272 -0.872 1
1 964 . 18 1 1 A 74 74 LEU CA C 74 57.900 57.525 0.375 1
1 965 . 18 1 1 A 74 74 LEU CB C 74 41.700 41.536 0.164 1
1 969 . 18 1 1 A 74 74 LEU N N 74 124.600 119.740 4.860 1
1 970 . 18 1 1 A 75 75 ARG H H 75 7.850 7.730 0.120 1
1 971 . 18 1 1 A 75 75 ARG HA H 75 3.750 3.883 -0.133 1
1 979 . 18 1 1 A 75 75 ARG C C 75 176.500 178.984 -2.484 1
1 980 . 18 1 1 A 75 75 ARG CA C 75 57.800 59.568 -1.768 1
1 981 . 18 1 1 A 75 75 ARG CB C 75 29.500 29.700 -0.200 1
1 985 . 18 1 1 A 75 75 ARG N N 75 113.300 119.093 -5.793 1
1 987 . 18 1 1 A 76 76 LYS H H 76 7.100 7.662 -0.562 1
1 988 . 18 1 1 A 76 76 LYS HA H 76 4.210 4.204 0.006 1
1 997 . 18 1 1 A 76 76 LYS C C 76 177.000 176.956 0.044 1
1 998 . 18 1 1 A 76 76 LYS CA C 76 56.500 58.186 -1.686 1
1 999 . 18 1 1 A 76 76 LYS CB C 76 32.700 31.787 0.913 1
1 1003 . 18 1 1 A 76 76 LYS N N 76 116.600 116.856 -0.256 1
1 1004 . 18 1 1 A 77 77 LYS H H 77 7.830 7.430 0.400 1
1 1005 . 18 1 1 A 77 77 LYS HA H 77 4.470 4.479 -0.009 1
1 1014 . 18 1 1 A 77 77 LYS CA C 77 54.500 54.141 0.359 1
1 1015 . 18 1 1 A 77 77 LYS CB C 77 31.800 31.840 -0.040 1
1 1019 . 18 1 1 A 77 77 LYS N N 77 122.900 122.277 0.623 1
1 1020 . 18 1 1 A 78 78 PRO HA H 78 4.190 4.152 0.038 1
1 1027 . 18 1 1 A 78 78 PRO C C 78 176.600 177.275 -0.675 1
1 1028 . 18 1 1 A 78 78 PRO CA C 78 63.700 63.501 0.199 1
1 1029 . 18 1 1 A 78 78 PRO CB C 78 31.900 32.148 -0.248 1
1 1032 . 18 1 1 A 79 79 GLY H H 79 8.290 8.752 -0.462 1
1 1033 . 18 1 1 A 79 79 GLY HA2 H 79 4.350 3.935 0.415 1
1 1034 . 18 1 1 A 79 79 GLY HA3 H 79 3.590 4.060 -0.470 1
1 1035 . 18 1 1 A 79 79 GLY C C 79 172.000 173.927 -1.927 1
1 1036 . 18 1 1 A 79 79 GLY CA C 79 45.500 45.441 0.059 1
1 1037 . 18 1 1 A 79 79 GLY N N 79 109.300 110.811 -1.511 1
1 1038 . 18 1 1 A 80 80 ILE H H 80 7.300 7.680 -0.380 1
1 1039 . 18 1 1 A 80 80 ILE HA H 80 4.770 4.148 0.622 1
1 1049 . 18 1 1 A 80 80 ILE C C 80 174.200 174.869 -0.669 1
1 1050 . 18 1 1 A 80 80 ILE CA C 80 60.500 61.334 -0.834 1
1 1051 . 18 1 1 A 80 80 ILE CB C 80 37.000 37.937 -0.937 1
1 1055 . 18 1 1 A 80 80 ILE N N 80 119.200 121.904 -2.704 1
1 1056 . 18 1 1 A 81 81 TYR H H 81 9.490 8.544 0.946 1
1 1057 . 18 1 1 A 81 81 TYR HA H 81 4.840 5.015 -0.175 1
1 1064 . 18 1 1 A 81 81 TYR CA C 81 56.800 55.769 1.031 1
1 1065 . 18 1 1 A 81 81 TYR CB C 81 39.800 40.083 -0.283 1
1 1070 . 18 1 1 A 81 81 TYR N N 81 126.100 126.918 -0.818 1
1 1071 . 18 1 1 A 82 82 PRO HA H 82 4.610 4.562 0.048 1
1 1078 . 18 1 1 A 82 82 PRO CA C 82 62.300 63.027 -0.727 1
1 1079 . 18 1 1 A 82 82 PRO CB C 82 32.000 32.034 -0.034 1
1 1082 . 18 1 1 A 83 83 ALA HA H 83 4.140 4.463 -0.323 1
1 1086 . 18 1 1 A 84 84 TYR HA H 84 4.470 4.847 -0.377 1
1 1093 . 18 1 1 A 84 84 TYR CA C 84 57.500 57.633 -0.133 1
1 1094 . 18 1 1 A 84 84 TYR CB C 84 39.500 39.345 0.155 1
1 1099 . 18 1 1 A 87 87 ASN HA H 87 4.410 4.136 0.274 1
1 1104 . 18 1 1 A 87 87 ASN C C 87 176.500 175.003 1.497 1
1 1105 . 18 1 1 A 87 87 ASN CA C 87 55.100 55.400 -0.300 1
1 1106 . 18 1 1 A 87 87 ASN CB C 87 40.600 35.907 4.693 1
1 1109 . 18 1 1 A 88 88 LYS H H 88 8.710 8.975 -0.265 1
1 1110 . 18 1 1 A 88 88 LYS HA H 88 4.320 4.142 0.178 1
1 1119 . 18 1 1 A 88 88 LYS C C 88 177.600 176.463 1.137 1
1 1120 . 18 1 1 A 88 88 LYS CA C 88 58.100 58.128 -0.028 1
1 1121 . 18 1 1 A 88 88 LYS CB C 88 33.000 32.347 0.653 1
1 1125 . 18 1 1 A 88 88 LYS N N 88 123.800 118.812 4.988 1
1 1126 . 18 1 1 A 89 89 GLU H H 89 8.390 9.234 -0.844 1
1 1127 . 18 1 1 A 89 89 GLU HA H 89 4.270 4.045 0.225 1
1 1132 . 18 1 1 A 89 89 GLU C C 89 176.500 177.988 -1.488 1
1 1133 . 18 1 1 A 89 89 GLU CA C 89 57.800 58.537 -0.737 1
1 1134 . 18 1 1 A 89 89 GLU CB C 89 30.100 29.606 0.494 1
1 1136 . 18 1 1 A 89 89 GLU N N 89 117.000 118.368 -1.368 1
1 1137 . 18 1 1 A 90 90 HIS H H 90 7.600 7.721 -0.121 1
1 1138 . 18 1 1 A 90 90 HIS HA H 90 4.580 4.387 0.193 1
1 1142 . 18 1 1 A 90 90 HIS C C 90 170.800 174.772 -3.972 1
1 1143 . 18 1 1 A 90 90 HIS CA C 90 55.500 57.572 -2.072 1
1 1144 . 18 1 1 A 90 90 HIS CB C 90 32.200 31.016 1.184 1
1 1145 . 18 1 1 A 90 90 HIS N N 90 111.500 115.891 -4.391 1
1 1146 . 18 1 1 A 91 91 TRP H H 91 7.650 7.629 0.021 1
1 1147 . 18 1 1 A 91 91 TRP HA H 91 5.610 5.491 0.119 1
1 1156 . 18 1 1 A 91 91 TRP C C 91 174.600 175.981 -1.381 1
1 1157 . 18 1 1 A 91 91 TRP CA C 91 55.500 56.003 -0.503 1
1 1158 . 18 1 1 A 91 91 TRP CB C 91 31.700 32.093 -0.393 1
1 1163 . 18 1 1 A 91 91 TRP N N 91 117.400 116.254 1.146 1
1 1165 . 18 1 1 A 92 92 ILE H H 92 9.100 9.074 0.026 1
1 1166 . 18 1 1 A 92 92 ILE HA H 92 4.630 4.833 -0.203 1
1 1176 . 18 1 1 A 92 92 ILE C C 92 174.500 174.933 -0.433 1
1 1177 . 18 1 1 A 92 92 ILE CA C 92 59.800 59.744 0.056 1
1 1178 . 18 1 1 A 92 92 ILE CB C 92 42.500 41.526 0.974 1
1 1182 . 18 1 1 A 92 92 ILE N N 92 111.700 123.016 -11.316 1
1 1183 . 18 1 1 A 93 93 THR H H 93 8.570 8.443 0.127 1
1 1184 . 18 1 1 A 93 93 THR HA H 93 4.250 4.908 -0.658 1
1 1190 . 18 1 1 A 93 93 THR CA C 93 61.800 62.431 -0.631 1
1 1191 . 18 1 1 A 93 93 THR CB C 93 70.200 70.008 0.192 1
1 1193 . 18 1 1 A 93 93 THR N N 93 117.600 123.021 -5.421 1
1 1194 . 18 1 1 A 94 94 VAL HA H 94 4.680 4.858 -0.178 1
1 1202 . 18 1 1 A 94 94 VAL C C 94 175.400 174.723 0.677 1
1 1203 . 18 1 1 A 94 94 VAL CA C 94 60.700 60.692 0.008 1
1 1204 . 18 1 1 A 94 94 VAL CB C 94 34.100 34.400 -0.300 1
1 1207 . 18 1 1 A 95 95 LEU H H 95 8.080 8.598 -0.518 1
1 1208 . 18 1 1 A 95 95 LEU HA H 95 4.330 4.590 -0.260 1
1 1218 . 18 1 1 A 95 95 LEU C C 95 176.400 176.060 0.340 1
1 1219 . 18 1 1 A 95 95 LEU CA C 95 55.000 54.421 0.579 1
1 1220 . 18 1 1 A 95 95 LEU CB C 95 44.300 42.002 2.298 1
1 1224 . 18 1 1 A 95 95 LEU N N 95 127.500 127.834 -0.334 1
1 1225 . 18 1 1 A 96 96 LEU H H 96 8.050 8.302 -0.252 1
1 1226 . 18 1 1 A 96 96 LEU HA H 96 4.150 4.016 0.134 1
1 1236 . 18 1 1 A 96 96 LEU C C 96 177.400 178.670 -1.270 1
1 1237 . 18 1 1 A 96 96 LEU CA C 96 56.500 58.155 -1.655 1
1 1238 . 18 1 1 A 96 96 LEU CB C 96 40.500 41.450 -0.950 1
1 1242 . 18 1 1 A 96 96 LEU N N 96 128.100 127.059 1.041 1
1 1243 . 18 1 1 A 97 97 ASN H H 97 8.690 8.053 0.637 1
1 1244 . 18 1 1 A 97 97 ASN HA H 97 4.740 4.721 0.019 1
1 1249 . 18 1 1 A 97 97 ASN C C 97 174.900 175.902 -1.002 1
1 1250 . 18 1 1 A 97 97 ASN CA C 97 53.000 54.434 -1.434 1
1 1251 . 18 1 1 A 97 97 ASN CB C 97 37.700 38.611 -0.911 1
1 1252 . 18 1 1 A 97 97 ASN N N 97 117.200 116.032 1.168 1
1 1254 . 18 1 1 A 98 98 GLY H H 98 7.820 7.928 -0.108 1
1 1255 . 18 1 1 A 98 98 GLY HA2 H 98 4.470 4.123 0.347 1
1 1256 . 18 1 1 A 98 98 GLY HA3 H 98 3.740 4.130 -0.390 1
1 1257 . 18 1 1 A 98 98 GLY C C 98 174.900 174.782 0.118 1
1 1258 . 18 1 1 A 98 98 GLY CA C 98 44.900 44.272 0.628 1
1 1259 . 18 1 1 A 98 98 GLY N N 98 108.600 107.983 0.617 1
1 1260 . 18 1 1 A 99 99 PRO HA H 99 4.380 4.537 -0.157 1
1 1267 . 18 1 1 A 99 99 PRO C C 99 177.400 178.095 -0.695 1
1 1268 . 18 1 1 A 99 99 PRO CA C 99 63.900 63.678 0.222 1
1 1269 . 18 1 1 A 99 99 PRO CB C 99 32.400 32.892 -0.492 1
1 1272 . 18 1 1 A 100 100 LEU H H 100 7.750 8.147 -0.397 1
1 1273 . 18 1 1 A 100 100 LEU HA H 100 4.280 4.036 0.244 1
1 1283 . 18 1 1 A 100 100 LEU C C 100 177.400 177.513 -0.113 1
1 1284 . 18 1 1 A 100 100 LEU CA C 100 55.800 57.028 -1.228 1
1 1285 . 18 1 1 A 100 100 LEU CB C 100 42.600 42.081 0.519 1
1 1289 . 18 1 1 A 100 100 LEU N N 100 120.300 119.955 0.345 1
1 1290 . 18 1 1 A 101 101 GLY H H 101 8.620 7.578 1.042 1
1 1291 . 18 1 1 A 101 101 GLY HA2 H 101 4.110 4.140 -0.030 1
1 1292 . 18 1 1 A 101 101 GLY HA3 H 101 3.890 4.146 -0.256 1
1 1293 . 18 1 1 A 101 101 GLY C C 101 173.600 174.650 -1.050 1
1 1294 . 18 1 1 A 101 101 GLY CA C 101 44.300 45.144 -0.844 1
1 1295 . 18 1 1 A 101 101 GLY N N 101 110.600 104.642 5.958 1
1 1296 . 18 1 1 A 102 102 ALA H H 102 8.310 8.955 -0.645 1
1 1297 . 18 1 1 A 102 102 ALA HA H 102 3.520 3.732 -0.212 1
1 1301 . 18 1 1 A 102 102 ALA C C 102 178.900 179.093 -0.193 1
1 1302 . 18 1 1 A 102 102 ALA CA C 102 55.400 55.043 0.357 1
1 1303 . 18 1 1 A 102 102 ALA CB C 102 18.600 18.294 0.306 1
1 1304 . 18 1 1 A 102 102 ALA N N 102 122.000 125.139 -3.139 1
1 1305 . 18 1 1 A 103 103 LYS H H 103 8.360 7.878 0.482 1
1 1306 . 18 1 1 A 103 103 LYS HA H 103 3.730 3.779 -0.049 1
1 1315 . 18 1 1 A 103 103 LYS C C 103 179.400 178.909 0.491 1
1 1316 . 18 1 1 A 103 103 LYS CA C 103 60.000 59.393 0.607 1
1 1317 . 18 1 1 A 103 103 LYS CB C 103 31.900 32.162 -0.262 1
1 1321 . 18 1 1 A 103 103 LYS N N 103 116.500 116.957 -0.457 1
1 1322 . 18 1 1 A 104 104 GLU H H 104 7.890 7.878 0.012 1
1 1323 . 18 1 1 A 104 104 GLU HA H 104 4.080 4.137 -0.057 1
1 1328 . 18 1 1 A 104 104 GLU C C 104 179.300 179.336 -0.036 1
1 1329 . 18 1 1 A 104 104 GLU CA C 104 59.500 59.020 0.480 1
1 1330 . 18 1 1 A 104 104 GLU CB C 104 29.100 29.448 -0.348 1
1 1332 . 18 1 1 A 104 104 GLU N N 104 120.000 119.554 0.446 1
1 1333 . 18 1 1 A 105 105 ILE H H 105 8.170 8.245 -0.075 1
1 1334 . 18 1 1 A 105 105 ILE HA H 105 3.520 3.681 -0.161 1
1 1344 . 18 1 1 A 105 105 ILE C C 105 178.100 178.177 -0.077 1
1 1345 . 18 1 1 A 105 105 ILE CA C 105 66.700 65.344 1.356 1
1 1346 . 18 1 1 A 105 105 ILE CB C 105 37.700 37.700 0.000 1
1 1350 . 18 1 1 A 105 105 ILE N N 105 119.500 120.393 -0.893 1
1 1351 . 18 1 1 A 106 106 HIS H H 106 8.930 8.288 0.642 1
1 1352 . 18 1 1 A 106 106 HIS HA H 106 4.230 4.222 0.008 1
1 1356 . 18 1 1 A 106 106 HIS C C 106 178.000 177.783 0.217 1
1 1357 . 18 1 1 A 106 106 HIS CA C 106 57.600 59.676 -2.076 1
1 1358 . 18 1 1 A 106 106 HIS CB C 106 28.400 29.626 -1.226 1
1 1360 . 18 1 1 A 106 106 HIS N N 106 116.700 120.141 -3.441 1
1 1361 . 18 1 1 A 107 107 SER H H 107 8.060 7.961 0.099 1
1 1362 . 18 1 1 A 107 107 SER HA H 107 4.310 4.155 0.155 1
1 1365 . 18 1 1 A 107 107 SER C C 107 175.900 176.404 -0.504 1
1 1366 . 18 1 1 A 107 107 SER CA C 107 62.200 61.922 0.278 1
1 1367 . 18 1 1 A 107 107 SER CB C 107 62.500 63.002 -0.502 1
1 1368 . 18 1 1 A 107 107 SER N N 107 117.000 115.344 1.656 1
1 1369 . 18 1 1 A 108 108 LEU H H 108 7.950 8.109 -0.159 1
1 1370 . 18 1 1 A 108 108 LEU HA H 108 4.180 4.009 0.171 1
1 1380 . 18 1 1 A 108 108 LEU C C 108 180.600 178.969 1.631 1
1 1381 . 18 1 1 A 108 108 LEU CA C 108 57.900 58.067 -0.167 1
1 1382 . 18 1 1 A 108 108 LEU CB C 108 42.500 41.885 0.615 1
1 1386 . 18 1 1 A 108 108 LEU N N 108 121.800 120.466 1.334 1
1 1387 . 18 1 1 A 109 109 ILE H H 109 8.730 8.380 0.350 1
1 1388 . 18 1 1 A 109 109 ILE HA H 109 3.830 3.718 0.112 1
1 1398 . 18 1 1 A 109 109 ILE C C 109 176.800 178.308 -1.508 1
1 1399 . 18 1 1 A 109 109 ILE CA C 109 65.800 65.985 -0.185 1
1 1400 . 18 1 1 A 109 109 ILE CB C 109 38.600 37.886 0.714 1
1 1404 . 18 1 1 A 109 109 ILE N N 109 120.200 119.837 0.363 1
1 1405 . 18 1 1 A 110 110 GLU H H 110 7.960 8.741 -0.781 1
1 1406 . 18 1 1 A 110 110 GLU HA H 110 4.280 4.111 0.169 1
1 1411 . 18 1 1 A 110 110 GLU C C 110 178.500 178.488 0.012 1
1 1412 . 18 1 1 A 110 110 GLU CA C 110 58.800 59.826 -1.026 1
1 1413 . 18 1 1 A 110 110 GLU CB C 110 28.200 29.132 -0.932 1
1 1415 . 18 1 1 A 110 110 GLU N N 110 120.800 121.329 -0.529 1
1 1416 . 18 1 1 A 111 111 ASP H H 111 8.290 8.129 0.161 1
1 1417 . 18 1 1 A 111 111 ASP HA H 111 4.470 4.458 0.012 1
1 1420 . 18 1 1 A 111 111 ASP C C 111 178.200 178.269 -0.069 1
1 1421 . 18 1 1 A 111 111 ASP CA C 111 57.100 57.274 -0.174 1
1 1422 . 18 1 1 A 111 111 ASP CB C 111 39.300 40.340 -1.040 1
1 1423 . 18 1 1 A 111 111 ASP N N 111 119.200 120.579 -1.379 1
1 1424 . 18 1 1 A 112 112 SER H H 112 7.800 8.317 -0.517 1
1 1425 . 18 1 1 A 112 112 SER HA H 112 4.200 4.486 -0.286 1
1 1428 . 18 1 1 A 112 112 SER C C 112 178.600 176.608 1.992 1
1 1429 . 18 1 1 A 112 112 SER CA C 112 61.200 60.761 0.439 1
1 1430 . 18 1 1 A 112 112 SER CB C 112 64.200 62.811 1.389 1
1 1431 . 18 1 1 A 112 112 SER N N 112 114.700 114.325 0.375 1
1 1432 . 18 1 1 A 113 113 PHE H H 113 9.160 8.474 0.686 1
1 1433 . 18 1 1 A 113 113 PHE HA H 113 3.210 4.380 -1.170 1
1 1436 . 18 1 1 A 113 113 PHE C C 113 178.100 177.368 0.732 1
1 1437 . 18 1 1 A 113 113 PHE CA C 113 62.900 61.643 1.257 1
1 1438 . 18 1 1 A 113 113 PHE CB C 113 39.100 39.556 -0.456 1
1 1439 . 18 1 1 A 113 113 PHE N N 113 121.400 124.436 -3.036 1
1 1440 . 18 1 1 A 114 114 GLN H H 114 8.870 8.005 0.865 1
1 1441 . 18 1 1 A 114 114 GLN HA H 114 4.000 3.973 0.027 1
1 1448 . 18 1 1 A 114 114 GLN C C 114 179.700 177.988 1.712 1
1 1449 . 18 1 1 A 114 114 GLN CA C 114 58.300 58.292 0.008 1
1 1450 . 18 1 1 A 114 114 GLN CB C 114 27.600 28.794 -1.194 1
1 1453 . 18 1 1 A 114 114 GLN N N 114 116.800 117.230 -0.430 1
1 1455 . 18 1 1 A 115 115 LEU H H 115 8.570 8.131 0.439 1
1 1456 . 18 1 1 A 115 115 LEU HA H 115 4.090 4.023 0.067 1
1 1466 . 18 1 1 A 115 115 LEU C C 115 178.600 177.914 0.686 1
1 1467 . 18 1 1 A 115 115 LEU CA C 115 57.300 57.844 -0.544 1
1 1468 . 18 1 1 A 115 115 LEU CB C 115 43.200 42.041 1.159 1
1 1472 . 18 1 1 A 115 115 LEU N N 115 119.800 120.734 -0.934 1
1 1473 . 18 1 1 A 116 116 THR H H 116 7.240 7.310 -0.070 1
1 1474 . 18 1 1 A 116 116 THR HA H 116 4.270 4.424 -0.154 1
1 1480 . 18 1 1 A 116 116 THR C C 116 173.200 174.540 -1.340 1
1 1481 . 18 1 1 A 116 116 THR CA C 116 60.700 61.781 -1.081 1
1 1482 . 18 1 1 A 116 116 THR CB C 116 70.800 69.625 1.175 1
1 1484 . 18 1 1 A 116 116 THR N N 116 104.900 106.471 -1.571 1
1 1485 . 18 1 1 A 117 117 ARG H H 117 6.840 7.103 -0.263 1
1 1486 . 18 1 1 A 117 117 ARG HA H 117 3.060 3.834 -0.774 1
1 1494 . 18 1 1 A 117 117 ARG C C 117 175.200 175.783 -0.583 1
1 1495 . 18 1 1 A 117 117 ARG CA C 117 55.900 55.806 0.094 1
1 1496 . 18 1 1 A 117 117 ARG CB C 117 31.100 30.154 0.946 1
1 1500 . 18 1 1 A 117 117 ARG N N 117 120.900 122.825 -1.925 1
1 1502 . 18 1 1 A 118 118 LEU H H 118 8.380 8.378 0.002 1
1 1503 . 18 1 1 A 118 118 LEU HA H 118 4.100 4.225 -0.125 1
1 1513 . 18 1 1 A 118 118 LEU C C 118 176.500 176.304 0.196 1
1 1514 . 18 1 1 A 118 118 LEU CA C 118 55.300 54.893 0.407 1
1 1515 . 18 1 1 A 118 118 LEU CB C 118 42.400 42.375 0.025 1
1 1519 . 18 1 1 A 118 118 LEU N N 118 122.600 123.346 -0.746 1
1 1520 . 18 1 1 A 119 119 GLU H H 119 8.330 8.567 -0.237 1
1 1521 . 18 1 1 A 119 119 GLU HA H 119 4.160 4.371 -0.211 1
1 1526 . 18 1 1 A 119 119 GLU C C 119 175.800 175.520 0.280 1
1 1527 . 18 1 1 A 119 119 GLU CA C 119 56.000 56.985 -0.985 1
1 1528 . 18 1 1 A 119 119 GLU CB C 119 30.300 30.756 -0.456 1
1 1530 . 18 1 1 A 119 119 GLU N N 119 124.000 122.665 1.335 1
1 1531 . 18 1 1 A 120 120 HIS H H 120 8.520 8.593 -0.073 1
1 1532 . 18 1 1 A 120 120 HIS HA H 120 4.620 4.786 -0.166 1
1 1535 . 18 1 1 A 120 120 HIS C C 120 174.000 173.295 0.705 1
1 1536 . 18 1 1 A 120 120 HIS CA C 120 55.300 55.774 -0.474 1
1 1537 . 18 1 1 A 120 120 HIS CB C 120 29.300 33.462 -4.162 1
1 1538 . 18 1 1 A 120 120 HIS N N 120 120.100 125.045 -4.945 1
1 1539 . 18 1 1 A 121 121 HIS H H 121 8.580 8.068 0.512 1
1 1540 . 18 1 1 A 121 121 HIS HA H 121 4.620 4.448 0.172 1
1 1543 . 18 1 1 A 121 121 HIS C C 121 173.500 176.473 -2.973 1
1 1544 . 18 1 1 A 121 121 HIS CA C 121 55.300 55.896 -0.596 1
1 1545 . 18 1 1 A 121 121 HIS CB C 121 29.200 30.149 -0.949 1
1 1546 . 18 1 1 A 121 121 HIS N N 121 120.800 122.809 -2.009 1
1 1547 . 18 1 1 A 122 122 HIS H H 122 8.400 8.821 -0.421 1
1 1548 . 18 1 1 A 122 122 HIS HA H 122 4.620 4.347 0.273 1
1 1551 . 18 1 1 A 122 122 HIS CA C 122 55.300 59.256 -3.956 1
1 1552 . 18 1 1 A 122 122 HIS CB C 122 29.200 29.672 -0.472 1
1 1553 . 18 1 1 A 122 122 HIS N N 122 125.700 122.398 3.302 1
1 1554 . 18 1 1 A 123 123 HIS H H 123 8.690 7.898 0.792 1
1 1555 . 18 1 1 A 123 123 HIS HA H 123 4.640 4.845 -0.205 1
1 1558 . 18 1 1 A 123 123 HIS C C 123 174.100 173.818 0.282 1
1 1559 . 18 1 1 A 123 123 HIS CA C 123 55.300 54.448 0.852 1
1 1560 . 18 1 1 A 123 123 HIS CB C 123 29.300 30.921 -1.621 1
1 1561 . 18 1 1 A 123 123 HIS N N 123 120.200 114.419 5.781 1
1 1562 . 18 1 1 A 124 124 HIS H H 124 8.710 8.905 -0.195 1
1 1563 . 18 1 1 A 124 124 HIS HA H 124 4.640 5.141 -0.501 1
1 1566 . 18 1 1 A 124 124 HIS C C 124 174.200 173.415 0.785 1
1 1567 . 18 1 1 A 124 124 HIS CA C 124 55.300 54.321 0.979 1
1 1568 . 18 1 1 A 124 124 HIS CB C 124 29.300 33.079 -3.779 1
1 14 . 19 1 1 A 2 2 ASN H H 2 8.500 8.574 -0.074 1
1 15 . 19 1 1 A 2 2 ASN HA H 2 4.990 5.192 -0.202 1
1 20 . 19 1 1 A 2 2 ASN C C 2 175.600 175.509 0.091 1
1 21 . 19 1 1 A 2 2 ASN CA C 2 51.000 51.475 -0.475 1
1 22 . 19 1 1 A 2 2 ASN CB C 2 40.000 41.942 -1.942 1
1 24 . 19 1 1 A 2 2 ASN N N 2 122.000 119.918 2.082 1
1 26 . 19 1 1 A 3 3 ARG H H 3 8.950 8.745 0.205 1
1 27 . 19 1 1 A 3 3 ARG HA H 3 3.850 4.015 -0.165 1
1 35 . 19 1 1 A 3 3 ARG C C 3 175.600 177.472 -1.872 1
1 36 . 19 1 1 A 3 3 ARG CA C 3 60.400 59.699 0.701 1
1 37 . 19 1 1 A 3 3 ARG CB C 3 30.900 29.912 0.988 1
1 41 . 19 1 1 A 3 3 ARG N N 3 117.600 123.010 -5.410 1
1 43 . 19 1 1 A 4 4 GLN H H 4 8.370 8.093 0.277 1
1 44 . 19 1 1 A 4 4 GLN HA H 4 3.900 4.104 -0.204 1
1 51 . 19 1 1 A 4 4 GLN C C 4 178.300 178.147 0.153 1
1 52 . 19 1 1 A 4 4 GLN CA C 4 58.900 59.287 -0.387 1
1 53 . 19 1 1 A 4 4 GLN CB C 4 28.200 28.268 -0.068 1
1 56 . 19 1 1 A 4 4 GLN N N 4 120.700 118.731 1.969 1
1 58 . 19 1 1 A 5 5 GLN H H 5 8.670 8.233 0.437 1
1 59 . 19 1 1 A 5 5 GLN HA H 5 4.190 4.418 -0.228 1
1 66 . 19 1 1 A 5 5 GLN C C 5 180.000 178.602 1.398 1
1 67 . 19 1 1 A 5 5 GLN CA C 5 58.500 59.070 -0.570 1
1 68 . 19 1 1 A 5 5 GLN CB C 5 28.900 28.259 0.641 1
1 71 . 19 1 1 A 5 5 GLN N N 5 117.700 118.609 -0.909 1
1 73 . 19 1 1 A 6 6 PHE H H 6 8.270 7.771 0.499 1
1 74 . 19 1 1 A 6 6 PHE HA H 6 4.130 4.143 -0.013 1
1 82 . 19 1 1 A 6 6 PHE C C 6 175.500 177.343 -1.843 1
1 83 . 19 1 1 A 6 6 PHE CA C 6 62.700 61.319 1.381 1
1 84 . 19 1 1 A 6 6 PHE CB C 6 39.000 39.178 -0.178 1
1 90 . 19 1 1 A 6 6 PHE N N 6 121.200 120.502 0.698 1
1 91 . 19 1 1 A 7 7 ILE H H 7 8.390 8.116 0.274 1
1 92 . 19 1 1 A 7 7 ILE HA H 7 3.280 3.621 -0.341 1
1 102 . 19 1 1 A 7 7 ILE C C 7 178.900 177.521 1.379 1
1 103 . 19 1 1 A 7 7 ILE CA C 7 66.400 65.586 0.814 1
1 104 . 19 1 1 A 7 7 ILE CB C 7 38.500 37.940 0.560 1
1 108 . 19 1 1 A 7 7 ILE N N 7 121.000 120.562 0.438 1
1 109 . 19 1 1 A 8 8 ASP H H 8 8.710 8.308 0.402 1
1 110 . 19 1 1 A 8 8 ASP HA H 8 4.370 4.302 0.068 1
1 113 . 19 1 1 A 8 8 ASP C C 8 178.000 177.862 0.138 1
1 114 . 19 1 1 A 8 8 ASP CA C 8 57.300 56.874 0.426 1
1 115 . 19 1 1 A 8 8 ASP CB C 8 40.600 40.109 0.491 1
1 116 . 19 1 1 A 8 8 ASP N N 8 119.800 119.755 0.045 1
1 117 . 19 1 1 A 9 9 TYR H H 9 8.060 8.255 -0.195 1
1 118 . 19 1 1 A 9 9 TYR HA H 9 4.000 4.118 -0.118 1
1 125 . 19 1 1 A 9 9 TYR C C 9 176.500 177.624 -1.124 1
1 126 . 19 1 1 A 9 9 TYR CA C 9 61.700 61.575 0.125 1
1 127 . 19 1 1 A 9 9 TYR CB C 9 38.600 38.395 0.205 1
1 132 . 19 1 1 A 9 9 TYR N N 9 121.600 121.185 0.415 1
1 133 . 19 1 1 A 10 10 ALA H H 10 8.340 8.380 -0.040 1
1 134 . 19 1 1 A 10 10 ALA HA H 10 3.730 4.074 -0.344 1
1 138 . 19 1 1 A 10 10 ALA C C 10 180.200 179.562 0.638 1
1 139 . 19 1 1 A 10 10 ALA CA C 10 55.200 55.026 0.174 1
1 140 . 19 1 1 A 10 10 ALA CB C 10 17.300 17.771 -0.471 1
1 141 . 19 1 1 A 10 10 ALA N N 10 120.700 121.585 -0.885 1
1 142 . 19 1 1 A 11 11 GLN H H 11 7.830 8.169 -0.339 1
1 143 . 19 1 1 A 11 11 GLN HA H 11 4.130 3.973 0.157 1
1 150 . 19 1 1 A 11 11 GLN C C 11 178.300 178.458 -0.158 1
1 151 . 19 1 1 A 11 11 GLN CA C 11 59.200 59.058 0.142 1
1 152 . 19 1 1 A 11 11 GLN CB C 11 28.600 28.304 0.296 1
1 155 . 19 1 1 A 11 11 GLN N N 11 116.600 117.645 -1.045 1
1 157 . 19 1 1 A 12 12 LYS H H 12 8.040 8.051 -0.011 1
1 158 . 19 1 1 A 12 12 LYS HA H 12 3.890 3.955 -0.065 1
1 167 . 19 1 1 A 12 12 LYS C C 12 178.200 178.444 -0.244 1
1 168 . 19 1 1 A 12 12 LYS CA C 12 58.800 59.260 -0.460 1
1 169 . 19 1 1 A 12 12 LYS CB C 12 32.700 32.140 0.560 1
1 173 . 19 1 1 A 12 12 LYS N N 12 119.300 118.243 1.057 1
1 174 . 19 1 1 A 13 13 LYS H H 13 8.440 7.437 1.003 1
1 175 . 19 1 1 A 13 13 LYS HA H 13 3.610 3.693 -0.083 1
1 184 . 19 1 1 A 13 13 LYS C C 13 177.600 176.502 1.098 1
1 185 . 19 1 1 A 13 13 LYS CA C 13 56.900 57.972 -1.072 1
1 186 . 19 1 1 A 13 13 LYS CB C 13 32.000 32.125 -0.125 1
1 190 . 19 1 1 A 13 13 LYS N N 13 117.700 118.026 -0.326 1
1 191 . 19 1 1 A 14 14 TYR H H 14 6.780 7.437 -0.657 1
1 192 . 19 1 1 A 14 14 TYR HA H 14 4.530 4.464 0.066 1
1 199 . 19 1 1 A 14 14 TYR C C 14 175.800 174.778 1.022 1
1 200 . 19 1 1 A 14 14 TYR CA C 14 56.600 57.542 -0.942 1
1 201 . 19 1 1 A 14 14 TYR CB C 14 39.500 39.745 -0.245 1
1 206 . 19 1 1 A 14 14 TYR N N 14 113.100 114.230 -1.130 1
1 207 . 19 1 1 A 15 15 ASP H H 15 7.620 8.762 -1.142 1
1 208 . 19 1 1 A 15 15 ASP HA H 15 4.810 4.567 0.243 1
1 211 . 19 1 1 A 15 15 ASP C C 15 175.200 175.610 -0.410 1
1 212 . 19 1 1 A 15 15 ASP CA C 15 55.100 54.890 0.210 1
1 213 . 19 1 1 A 15 15 ASP CB C 15 39.300 38.532 0.768 1
1 214 . 19 1 1 A 15 15 ASP N N 15 119.600 118.480 1.120 1
1 215 . 19 1 1 A 16 16 THR H H 16 7.560 7.748 -0.188 1
1 216 . 19 1 1 A 16 16 THR HA H 16 4.650 4.830 -0.180 1
1 222 . 19 1 1 A 16 16 THR C C 16 173.200 173.612 -0.412 1
1 223 . 19 1 1 A 16 16 THR CA C 16 61.500 61.029 0.471 1
1 224 . 19 1 1 A 16 16 THR CB C 16 71.000 71.856 -0.856 1
1 226 . 19 1 1 A 16 16 THR N N 16 113.100 114.398 -1.298 1
1 227 . 19 1 1 A 17 17 LYS H H 17 8.830 8.556 0.274 1
1 228 . 19 1 1 A 17 17 LYS HA H 17 4.690 4.779 -0.089 1
1 235 . 19 1 1 A 17 17 LYS C C 17 173.200 174.303 -1.103 1
1 236 . 19 1 1 A 17 17 LYS CA C 17 53.600 53.684 -0.084 1
1 237 . 19 1 1 A 17 17 LYS CB C 17 32.800 32.019 0.781 1
1 241 . 19 1 1 A 17 17 LYS N N 17 127.200 127.349 -0.149 1
1 242 . 19 1 1 A 18 18 PRO HA H 18 3.540 4.070 -0.530 1
1 249 . 19 1 1 A 18 18 PRO C C 18 175.800 175.339 0.461 1
1 250 . 19 1 1 A 18 18 PRO CA C 18 62.000 62.787 -0.787 1
1 251 . 19 1 1 A 18 18 PRO CB C 18 32.200 32.348 -0.148 1
1 254 . 19 1 1 A 19 19 ASP H H 19 8.310 8.004 0.306 1
1 255 . 19 1 1 A 19 19 ASP HA H 19 4.740 5.173 -0.433 1
1 258 . 19 1 1 A 19 19 ASP C C 19 175.100 174.446 0.654 1
1 259 . 19 1 1 A 19 19 ASP CA C 19 52.300 52.568 -0.268 1
1 260 . 19 1 1 A 19 19 ASP CB C 19 43.700 44.299 -0.599 1
1 261 . 19 1 1 A 19 19 ASP N N 19 120.300 120.504 -0.204 1
1 262 . 19 1 1 A 20 20 HIS H H 20 8.620 8.564 0.056 1
1 263 . 19 1 1 A 20 20 HIS HA H 20 5.170 5.329 -0.159 1
1 266 . 19 1 1 A 20 20 HIS CA C 20 53.200 52.457 0.743 1
1 267 . 19 1 1 A 20 20 HIS CB C 20 28.800 29.919 -1.119 1
1 268 . 19 1 1 A 20 20 HIS N N 20 118.800 118.085 0.715 1
1 269 . 19 1 1 A 21 21 PRO HA H 21 4.190 4.338 -0.148 1
1 276 . 19 1 1 A 21 21 PRO C C 21 176.600 176.017 0.583 1
1 277 . 19 1 1 A 21 21 PRO CA C 21 63.900 63.605 0.295 1
1 278 . 19 1 1 A 21 21 PRO CB C 21 32.100 31.430 0.670 1
1 281 . 19 1 1 A 22 22 TRP H H 22 8.340 7.813 0.527 1
1 282 . 19 1 1 A 22 22 TRP HA H 22 5.000 4.806 0.194 1
1 291 . 19 1 1 A 22 22 TRP C C 22 174.200 177.230 -3.030 1
1 292 . 19 1 1 A 22 22 TRP CA C 22 57.100 56.451 0.649 1
1 293 . 19 1 1 A 22 22 TRP CB C 22 29.400 28.840 0.560 1
1 299 . 19 1 1 A 22 22 TRP N N 22 118.700 118.854 -0.154 1
1 301 . 19 1 1 A 23 23 GLU H H 23 9.030 8.754 0.276 1
1 302 . 19 1 1 A 23 23 GLU HA H 23 4.000 4.172 -0.172 1
1 307 . 19 1 1 A 23 23 GLU C C 23 177.900 177.354 0.546 1
1 308 . 19 1 1 A 23 23 GLU CA C 23 59.100 58.697 0.403 1
1 309 . 19 1 1 A 23 23 GLU CB C 23 29.200 28.655 0.545 1
1 311 . 19 1 1 A 23 23 GLU N N 23 128.400 123.845 4.555 1
1 312 . 19 1 1 A 24 24 LYS H H 24 8.500 7.828 0.672 1
1 313 . 19 1 1 A 24 24 LYS HA H 24 3.890 3.864 0.026 1
1 322 . 19 1 1 A 24 24 LYS C C 24 175.300 175.710 -0.410 1
1 323 . 19 1 1 A 24 24 LYS CA C 24 57.100 57.467 -0.367 1
1 324 . 19 1 1 A 24 24 LYS CB C 24 32.300 31.832 0.468 1
1 328 . 19 1 1 A 24 24 LYS N N 24 115.100 117.982 -2.882 1
1 329 . 19 1 1 A 25 25 PHE H H 25 7.010 7.726 -0.716 1
1 330 . 19 1 1 A 25 25 PHE HA H 25 4.740 5.026 -0.286 1
1 338 . 19 1 1 A 25 25 PHE C C 25 175.300 174.599 0.701 1
1 339 . 19 1 1 A 25 25 PHE CA C 25 54.300 55.063 -0.763 1
1 340 . 19 1 1 A 25 25 PHE CB C 25 39.200 38.530 0.670 1
1 346 . 19 1 1 A 25 25 PHE N N 25 115.100 117.671 -2.571 1
1 347 . 19 1 1 A 26 26 PRO HA H 26 4.380 4.613 -0.233 1
1 354 . 19 1 1 A 26 26 PRO C C 26 176.900 177.283 -0.383 1
1 355 . 19 1 1 A 26 26 PRO CA C 26 64.900 65.076 -0.176 1
1 356 . 19 1 1 A 26 26 PRO CB C 26 32.200 32.047 0.153 1
1 359 . 19 1 1 A 27 27 ASP H H 27 8.860 9.005 -0.145 1
1 360 . 19 1 1 A 27 27 ASP HA H 27 4.810 4.603 0.207 1
1 363 . 19 1 1 A 27 27 ASP C C 27 177.200 176.409 0.791 1
1 364 . 19 1 1 A 27 27 ASP CA C 27 53.900 55.775 -1.875 1
1 365 . 19 1 1 A 27 27 ASP CB C 27 39.900 40.999 -1.099 1
1 366 . 19 1 1 A 27 27 ASP N N 27 114.400 118.288 -3.888 1
1 367 . 19 1 1 A 28 28 TYR H H 28 8.300 8.235 0.065 1
1 368 . 19 1 1 A 28 28 TYR HA H 28 5.500 4.984 0.516 1
1 375 . 19 1 1 A 28 28 TYR C C 28 175.900 175.907 -0.007 1
1 376 . 19 1 1 A 28 28 TYR CA C 28 55.600 57.950 -2.350 1
1 377 . 19 1 1 A 28 28 TYR CB C 28 36.400 40.332 -3.932 1
1 382 . 19 1 1 A 28 28 TYR N N 28 123.700 119.399 4.301 1
1 383 . 19 1 1 A 29 29 ALA H H 29 9.240 8.591 0.649 1
1 384 . 19 1 1 A 29 29 ALA HA H 29 5.030 5.369 -0.339 1
1 388 . 19 1 1 A 29 29 ALA C C 29 174.600 175.907 -1.307 1
1 389 . 19 1 1 A 29 29 ALA CA C 29 49.700 51.078 -1.378 1
1 390 . 19 1 1 A 29 29 ALA CB C 29 22.800 22.885 -0.085 1
1 391 . 19 1 1 A 29 29 ALA N N 29 126.000 123.367 2.633 1
1 392 . 19 1 1 A 30 30 VAL H H 30 8.530 8.744 -0.214 1
1 393 . 19 1 1 A 30 30 VAL HA H 30 4.250 5.119 -0.869 1
1 401 . 19 1 1 A 30 30 VAL C C 30 173.400 174.797 -1.397 1
1 402 . 19 1 1 A 30 30 VAL CA C 30 60.300 61.285 -0.985 1
1 403 . 19 1 1 A 30 30 VAL CB C 30 34.100 34.073 0.027 1
1 406 . 19 1 1 A 30 30 VAL N N 30 119.700 120.344 -0.644 1
1 407 . 19 1 1 A 31 31 PHE H H 31 8.040 8.736 -0.696 1
1 408 . 19 1 1 A 31 31 PHE HA H 31 4.250 5.179 -0.929 1
1 416 . 19 1 1 A 31 31 PHE C C 31 173.200 175.230 -2.030 1
1 417 . 19 1 1 A 31 31 PHE CA C 31 56.700 56.330 0.370 1
1 418 . 19 1 1 A 31 31 PHE CB C 31 38.500 40.950 -2.450 1
1 424 . 19 1 1 A 31 31 PHE N N 31 124.100 126.522 -2.422 1
1 425 . 19 1 1 A 32 32 ARG H H 32 8.720 8.791 -0.071 1
1 426 . 19 1 1 A 32 32 ARG HA H 32 5.320 4.589 0.731 1
1 434 . 19 1 1 A 32 32 ARG C C 32 176.400 174.031 2.369 1
1 435 . 19 1 1 A 32 32 ARG CA C 32 53.400 54.321 -0.921 1
1 436 . 19 1 1 A 32 32 ARG CB C 32 34.200 34.028 0.172 1
1 440 . 19 1 1 A 32 32 ARG N N 32 122.300 120.826 1.474 1
1 442 . 19 1 1 A 33 33 HIS H H 33 8.560 8.360 0.200 1
1 443 . 19 1 1 A 33 33 HIS HA H 33 4.710 4.911 -0.201 1
1 446 . 19 1 1 A 33 33 HIS C C 33 176.400 176.343 0.057 1
1 447 . 19 1 1 A 33 33 HIS CA C 33 56.500 54.959 1.541 1
1 448 . 19 1 1 A 33 33 HIS CB C 33 28.900 31.320 -2.420 1
1 449 . 19 1 1 A 33 33 HIS N N 33 119.800 120.564 -0.764 1
1 450 . 19 1 1 A 34 34 SER H H 34 9.160 9.228 -0.068 1
1 451 . 19 1 1 A 34 34 SER HA H 34 4.390 4.167 0.223 1
1 454 . 19 1 1 A 34 34 SER C C 34 174.900 176.349 -1.449 1
1 455 . 19 1 1 A 34 34 SER CA C 34 60.400 61.413 -1.013 1
1 456 . 19 1 1 A 34 34 SER CB C 34 63.200 62.616 0.584 1
1 457 . 19 1 1 A 34 34 SER N N 34 118.700 118.897 -0.197 1
1 458 . 19 1 1 A 35 35 ASP H H 35 8.660 8.455 0.205 1
1 459 . 19 1 1 A 35 35 ASP HA H 35 4.570 4.430 0.140 1
1 462 . 19 1 1 A 35 35 ASP C C 35 177.000 177.505 -0.505 1
1 463 . 19 1 1 A 35 35 ASP CA C 35 54.300 57.297 -2.997 1
1 464 . 19 1 1 A 35 35 ASP CB C 35 39.700 40.372 -0.672 1
1 465 . 19 1 1 A 35 35 ASP N N 35 118.200 121.912 -3.712 1
1 466 . 19 1 1 A 36 36 ASN H H 36 7.900 7.973 -0.073 1
1 467 . 19 1 1 A 36 36 ASN HA H 36 4.660 4.917 -0.257 1
1 472 . 19 1 1 A 36 36 ASN C C 36 175.100 175.062 0.038 1
1 473 . 19 1 1 A 36 36 ASN CA C 36 52.000 53.261 -1.261 1
1 474 . 19 1 1 A 36 36 ASN CB C 36 38.900 39.554 -0.654 1
1 476 . 19 1 1 A 36 36 ASN N N 36 116.200 116.787 -0.587 1
1 478 . 19 1 1 A 37 37 ASP H H 37 7.890 8.344 -0.454 1
1 479 . 19 1 1 A 37 37 ASP HA H 37 4.670 4.576 0.094 1
1 482 . 19 1 1 A 37 37 ASP C C 37 175.800 175.525 0.275 1
1 483 . 19 1 1 A 37 37 ASP CA C 37 55.800 56.708 -0.908 1
1 484 . 19 1 1 A 37 37 ASP CB C 37 40.500 40.389 0.111 1
1 485 . 19 1 1 A 37 37 ASP N N 37 115.300 120.059 -4.759 1
1 486 . 19 1 1 A 38 38 LYS H H 38 8.310 8.678 -0.368 1
1 487 . 19 1 1 A 38 38 LYS HA H 38 4.390 4.247 0.143 1
1 496 . 19 1 1 A 38 38 LYS C C 38 175.300 175.484 -0.184 1
1 497 . 19 1 1 A 38 38 LYS CA C 38 56.700 56.910 -0.210 1
1 498 . 19 1 1 A 38 38 LYS CB C 38 32.500 33.070 -0.570 1
1 502 . 19 1 1 A 38 38 LYS N N 38 119.300 120.018 -0.718 1
1 503 . 19 1 1 A 39 39 TRP HA H 39 5.000 4.946 0.054 1
1 512 . 19 1 1 A 39 39 TRP C C 39 176.100 173.544 2.556 1
1 513 . 19 1 1 A 39 39 TRP CA C 39 55.700 57.624 -1.924 1
1 514 . 19 1 1 A 39 39 TRP CB C 39 30.300 32.483 -2.183 1
1 521 . 19 1 1 A 40 40 TYR H H 40 9.270 9.307 -0.037 1
1 522 . 19 1 1 A 40 40 TYR HA H 40 5.280 5.453 -0.173 1
1 525 . 19 1 1 A 40 40 TYR C C 40 175.400 175.394 0.006 1
1 526 . 19 1 1 A 40 40 TYR CA C 40 55.700 56.657 -0.957 1
1 527 . 19 1 1 A 40 40 TYR CB C 40 40.300 40.721 -0.421 1
1 528 . 19 1 1 A 40 40 TYR N N 40 114.000 124.643 -10.643 1
1 529 . 19 1 1 A 41 41 ALA H H 41 7.760 8.996 -1.236 1
1 530 . 19 1 1 A 41 41 ALA HA H 41 5.580 5.257 0.323 1
1 534 . 19 1 1 A 41 41 ALA C C 41 177.300 176.055 1.245 1
1 535 . 19 1 1 A 41 41 ALA CA C 41 52.900 51.908 0.992 1
1 536 . 19 1 1 A 41 41 ALA CB C 41 21.900 20.579 1.321 1
1 537 . 19 1 1 A 41 41 ALA N N 41 121.500 124.270 -2.770 1
1 538 . 19 1 1 A 42 42 LEU H H 42 8.300 9.339 -1.039 1
1 539 . 19 1 1 A 42 42 LEU HA H 42 5.200 5.465 -0.265 1
1 549 . 19 1 1 A 42 42 LEU C C 42 173.300 175.099 -1.799 1
1 550 . 19 1 1 A 42 42 LEU CA C 42 54.100 53.571 0.529 1
1 551 . 19 1 1 A 42 42 LEU CB C 42 45.900 43.622 2.278 1
1 555 . 19 1 1 A 42 42 LEU N N 42 123.700 124.496 -0.796 1
1 556 . 19 1 1 A 43 43 LEU H H 43 9.700 9.061 0.639 1
1 557 . 19 1 1 A 43 43 LEU HA H 43 5.250 5.378 -0.128 1
1 567 . 19 1 1 A 43 43 LEU C C 43 173.300 175.322 -2.022 1
1 568 . 19 1 1 A 43 43 LEU CA C 43 54.000 53.616 0.384 1
1 569 . 19 1 1 A 43 43 LEU CB C 43 46.000 45.163 0.837 1
1 573 . 19 1 1 A 43 43 LEU N N 43 130.400 128.372 2.028 1
1 574 . 19 1 1 A 44 44 MET H H 44 8.800 8.421 0.379 1
1 575 . 19 1 1 A 44 44 MET HA H 44 4.420 4.842 -0.422 1
1 583 . 19 1 1 A 44 44 MET C C 44 172.500 173.257 -0.757 1
1 584 . 19 1 1 A 44 44 MET CA C 44 55.000 53.836 1.164 1
1 585 . 19 1 1 A 44 44 MET CB C 44 39.100 34.823 4.277 1
1 588 . 19 1 1 A 44 44 MET N N 44 122.800 121.859 0.941 1
1 589 . 19 1 1 A 45 45 ASP H H 45 7.960 8.383 -0.423 1
1 590 . 19 1 1 A 45 45 ASP HA H 45 5.490 5.571 -0.081 1
1 593 . 19 1 1 A 45 45 ASP C C 45 175.200 175.732 -0.532 1
1 594 . 19 1 1 A 45 45 ASP CA C 45 51.900 53.719 -1.819 1
1 595 . 19 1 1 A 45 45 ASP CB C 45 40.800 42.705 -1.905 1
1 596 . 19 1 1 A 45 45 ASP N N 45 119.400 118.851 0.549 1
1 597 . 19 1 1 A 46 46 ILE H H 46 8.800 8.390 0.410 1
1 598 . 19 1 1 A 46 46 ILE HA H 46 4.870 4.690 0.180 1
1 608 . 19 1 1 A 46 46 ILE CA C 46 57.700 57.085 0.615 1
1 609 . 19 1 1 A 46 46 ILE CB C 46 40.100 40.746 -0.646 1
1 613 . 19 1 1 A 46 46 ILE N N 46 117.400 118.305 -0.905 1
1 614 . 19 1 1 A 47 47 PRO HA H 47 4.420 4.471 -0.051 1
1 621 . 19 1 1 A 47 47 PRO C C 47 177.800 177.350 0.450 1
1 622 . 19 1 1 A 47 47 PRO CA C 47 63.000 62.921 0.079 1
1 623 . 19 1 1 A 47 47 PRO CB C 47 31.900 32.495 -0.595 1
1 626 . 19 1 1 A 48 48 ALA H H 48 8.550 8.417 0.133 1
1 627 . 19 1 1 A 48 48 ALA HA H 48 3.550 3.971 -0.421 1
1 631 . 19 1 1 A 48 48 ALA C C 48 179.200 179.296 -0.096 1
1 632 . 19 1 1 A 48 48 ALA CA C 48 55.200 54.517 0.683 1
1 633 . 19 1 1 A 48 48 ALA CB C 48 17.700 18.329 -0.629 1
1 634 . 19 1 1 A 48 48 ALA N N 48 130.100 126.616 3.484 1
1 635 . 19 1 1 A 49 49 GLU H H 49 8.700 8.488 0.212 1
1 636 . 19 1 1 A 49 49 GLU HA H 49 4.180 4.330 -0.150 1
1 641 . 19 1 1 A 49 49 GLU C C 49 179.800 177.272 2.528 1
1 642 . 19 1 1 A 49 49 GLU CA C 49 58.200 58.081 0.119 1
1 643 . 19 1 1 A 49 49 GLU CB C 49 28.200 27.773 0.427 1
1 645 . 19 1 1 A 49 49 GLU N N 49 114.900 116.326 -1.426 1
1 646 . 19 1 1 A 50 50 LYS H H 50 7.910 7.614 0.296 1
1 647 . 19 1 1 A 50 50 LYS HA H 50 4.060 4.182 -0.122 1
1 656 . 19 1 1 A 50 50 LYS C C 50 178.100 177.808 0.292 1
1 657 . 19 1 1 A 50 50 LYS CA C 50 56.900 57.376 -0.476 1
1 658 . 19 1 1 A 50 50 LYS CB C 50 31.700 32.214 -0.514 1
1 662 . 19 1 1 A 50 50 LYS N N 50 118.100 118.050 0.050 1
1 663 . 19 1 1 A 51 51 ILE H H 51 7.190 7.227 -0.037 1
1 664 . 19 1 1 A 51 51 ILE HA H 51 4.490 4.270 0.220 1
1 674 . 19 1 1 A 51 51 ILE C C 51 175.300 176.580 -1.280 1
1 675 . 19 1 1 A 51 51 ILE CA C 51 60.100 60.029 0.071 1
1 676 . 19 1 1 A 51 51 ILE CB C 51 37.400 37.486 -0.086 1
1 680 . 19 1 1 A 51 51 ILE N N 51 109.000 112.711 -3.711 1
1 681 . 19 1 1 A 52 52 GLY H H 52 7.370 7.942 -0.572 1
1 682 . 19 1 1 A 52 52 GLY HA2 H 52 4.050 3.726 0.324 1
1 683 . 19 1 1 A 52 52 GLY HA3 H 52 3.730 3.856 -0.126 1
1 684 . 19 1 1 A 52 52 GLY C C 52 174.200 173.806 0.394 1
1 685 . 19 1 1 A 52 52 GLY CA C 52 46.100 44.885 1.215 1
1 686 . 19 1 1 A 52 52 GLY N N 52 106.900 110.478 -3.578 1
1 687 . 19 1 1 A 53 53 ILE H H 53 7.260 6.948 0.312 1
1 688 . 19 1 1 A 53 53 ILE HA H 53 4.040 3.973 0.067 1
1 698 . 19 1 1 A 53 53 ILE C C 53 174.700 175.278 -0.578 1
1 699 . 19 1 1 A 53 53 ILE CA C 53 60.500 60.385 0.115 1
1 700 . 19 1 1 A 53 53 ILE CB C 53 38.700 37.227 1.473 1
1 704 . 19 1 1 A 53 53 ILE N N 53 121.900 122.575 -0.675 1
1 705 . 19 1 1 A 54 54 ASN H H 54 8.280 8.843 -0.563 1
1 706 . 19 1 1 A 54 54 ASN HA H 54 4.540 4.786 -0.246 1
1 711 . 19 1 1 A 54 54 ASN C C 54 175.400 175.986 -0.586 1
1 712 . 19 1 1 A 54 54 ASN CA C 54 53.700 52.235 1.465 1
1 713 . 19 1 1 A 54 54 ASN CB C 54 39.000 38.462 0.538 1
1 715 . 19 1 1 A 54 54 ASN N N 54 123.300 125.870 -2.570 1
1 717 . 19 1 1 A 55 55 GLY H H 55 8.240 8.523 -0.283 1
1 718 . 19 1 1 A 55 55 GLY HA2 H 55 4.230 4.037 0.193 1
1 719 . 19 1 1 A 55 55 GLY HA3 H 55 3.740 4.041 -0.301 1
1 720 . 19 1 1 A 55 55 GLY C C 55 173.200 174.563 -1.363 1
1 721 . 19 1 1 A 55 55 GLY CA C 55 44.800 45.494 -0.694 1
1 722 . 19 1 1 A 55 55 GLY N N 55 110.200 112.931 -2.731 1
1 723 . 19 1 1 A 56 56 ASP H H 56 8.320 7.955 0.365 1
1 724 . 19 1 1 A 56 56 ASP HA H 56 4.700 4.206 0.494 1
1 727 . 19 1 1 A 56 56 ASP C C 56 175.800 174.680 1.120 1
1 728 . 19 1 1 A 56 56 ASP CA C 56 53.400 55.731 -2.331 1
1 729 . 19 1 1 A 56 56 ASP CB C 56 40.500 39.121 1.379 1
1 730 . 19 1 1 A 56 56 ASP N N 56 119.000 116.611 2.389 1
1 731 . 19 1 1 A 57 57 LYS H H 57 7.780 7.725 0.055 1
1 732 . 19 1 1 A 57 57 LYS HA H 57 4.400 4.647 -0.247 1
1 741 . 19 1 1 A 57 57 LYS C C 57 175.700 176.160 -0.460 1
1 742 . 19 1 1 A 57 57 LYS CA C 57 55.600 54.895 0.705 1
1 743 . 19 1 1 A 57 57 LYS CB C 57 33.700 34.152 -0.452 1
1 747 . 19 1 1 A 57 57 LYS N N 57 119.500 118.426 1.074 1
1 748 . 19 1 1 A 58 58 ARG H H 58 8.410 8.542 -0.132 1
1 749 . 19 1 1 A 58 58 ARG HA H 58 4.740 4.554 0.186 1
1 757 . 19 1 1 A 58 58 ARG C C 58 176.200 176.162 0.038 1
1 758 . 19 1 1 A 58 58 ARG CA C 58 55.300 55.996 -0.696 1
1 759 . 19 1 1 A 58 58 ARG CB C 58 31.700 30.640 1.060 1
1 763 . 19 1 1 A 58 58 ARG N N 58 120.900 122.335 -1.435 1
1 765 . 19 1 1 A 59 59 VAL H H 59 9.030 8.416 0.614 1
1 766 . 19 1 1 A 59 59 VAL HA H 59 4.570 4.908 -0.338 1
1 774 . 19 1 1 A 59 59 VAL C C 59 173.900 174.023 -0.123 1
1 775 . 19 1 1 A 59 59 VAL CA C 59 58.700 58.268 0.432 1
1 776 . 19 1 1 A 59 59 VAL CB C 59 34.700 35.615 -0.915 1
1 779 . 19 1 1 A 59 59 VAL N N 59 115.600 118.054 -2.454 1
1 780 . 19 1 1 A 60 60 ASP H H 60 8.290 8.521 -0.231 1
1 781 . 19 1 1 A 60 60 ASP HA H 60 5.560 5.222 0.338 1
1 784 . 19 1 1 A 60 60 ASP C C 60 175.800 175.666 0.134 1
1 785 . 19 1 1 A 60 60 ASP CA C 60 53.600 53.666 -0.066 1
1 786 . 19 1 1 A 60 60 ASP CB C 60 43.100 42.274 0.826 1
1 787 . 19 1 1 A 60 60 ASP N N 60 120.700 120.989 -0.289 1
1 788 . 19 1 1 A 61 61 VAL H H 61 9.080 8.582 0.498 1
1 789 . 19 1 1 A 61 61 VAL HA H 61 5.150 5.126 0.024 1
1 797 . 19 1 1 A 61 61 VAL C C 61 173.800 174.257 -0.457 1
1 798 . 19 1 1 A 61 61 VAL CA C 61 57.600 59.185 -1.585 1
1 799 . 19 1 1 A 61 61 VAL CB C 61 35.500 35.873 -0.373 1
1 802 . 19 1 1 A 61 61 VAL N N 61 115.200 117.274 -2.074 1
1 803 . 19 1 1 A 62 62 ILE H H 62 8.530 8.440 0.090 1
1 804 . 19 1 1 A 62 62 ILE HA H 62 5.550 5.242 0.308 1
1 814 . 19 1 1 A 62 62 ILE CA C 62 57.800 58.345 -0.545 1
1 815 . 19 1 1 A 62 62 ILE CB C 62 41.700 41.920 -0.220 1
1 819 . 19 1 1 A 62 62 ILE N N 62 112.000 118.801 -6.801 1
1 820 . 19 1 1 A 64 64 LEU HA H 64 4.960 5.274 -0.314 1
1 830 . 19 1 1 A 64 64 LEU C C 64 173.100 176.058 -2.958 1
1 831 . 19 1 1 A 64 64 LEU CA C 64 53.500 53.461 0.039 1
1 832 . 19 1 1 A 64 64 LEU CB C 64 47.000 46.166 0.834 1
1 836 . 19 1 1 A 65 65 LYS H H 65 8.470 8.745 -0.275 1
1 837 . 19 1 1 A 65 65 LYS HA H 65 3.760 4.753 -0.993 1
1 846 . 19 1 1 A 65 65 LYS C C 65 175.100 176.079 -0.979 1
1 847 . 19 1 1 A 65 65 LYS CA C 65 55.700 55.918 -0.218 1
1 848 . 19 1 1 A 65 65 LYS CB C 65 33.600 32.892 0.708 1
1 852 . 19 1 1 A 65 65 LYS N N 65 126.700 124.703 1.997 1
1 853 . 19 1 1 A 66 66 VAL H H 66 7.840 8.882 -1.042 1
1 854 . 19 1 1 A 66 66 VAL HA H 66 4.410 4.806 -0.396 1
1 862 . 19 1 1 A 66 66 VAL C C 66 175.300 174.793 0.507 1
1 863 . 19 1 1 A 66 66 VAL CA C 66 58.300 58.659 -0.359 1
1 864 . 19 1 1 A 66 66 VAL CB C 66 36.400 35.881 0.519 1
1 867 . 19 1 1 A 66 66 VAL N N 66 116.000 117.839 -1.839 1
1 868 . 19 1 1 A 67 67 GLN H H 67 8.620 8.368 0.252 1
1 869 . 19 1 1 A 67 67 GLN HA H 67 4.350 4.413 -0.063 1
1 876 . 19 1 1 A 67 67 GLN CA C 67 54.900 54.005 0.895 1
1 877 . 19 1 1 A 67 67 GLN CB C 67 27.600 28.089 -0.489 1
1 880 . 19 1 1 A 67 67 GLN N N 67 123.000 120.948 2.052 1
1 882 . 19 1 1 A 68 68 PRO HA H 68 4.200 4.017 0.183 1
1 889 . 19 1 1 A 68 68 PRO C C 68 179.400 177.868 1.532 1
1 890 . 19 1 1 A 68 68 PRO CA C 68 65.100 65.360 -0.260 1
1 891 . 19 1 1 A 68 68 PRO CB C 68 31.700 31.717 -0.017 1
1 894 . 19 1 1 A 69 69 GLU H H 69 9.620 8.269 1.351 1
1 895 . 19 1 1 A 69 69 GLU HA H 69 4.190 4.099 0.091 1
1 900 . 19 1 1 A 69 69 GLU C C 69 177.100 177.984 -0.884 1
1 901 . 19 1 1 A 69 69 GLU CA C 69 58.600 58.987 -0.387 1
1 902 . 19 1 1 A 69 69 GLU CB C 69 28.100 29.602 -1.502 1
1 904 . 19 1 1 A 69 69 GLU N N 69 116.900 117.606 -0.706 1
1 905 . 19 1 1 A 70 70 LEU H H 70 7.940 7.466 0.474 1
1 906 . 19 1 1 A 70 70 LEU HA H 70 4.460 4.338 0.122 1
1 916 . 19 1 1 A 70 70 LEU C C 70 177.600 177.851 -0.251 1
1 917 . 19 1 1 A 70 70 LEU CA C 70 54.500 54.758 -0.258 1
1 918 . 19 1 1 A 70 70 LEU CB C 70 42.800 41.935 0.865 1
1 922 . 19 1 1 A 70 70 LEU N N 70 118.700 118.810 -0.110 1
1 923 . 19 1 1 A 71 71 VAL H H 71 7.080 7.405 -0.325 1
1 924 . 19 1 1 A 71 71 VAL HA H 71 3.210 3.690 -0.480 1
1 932 . 19 1 1 A 71 71 VAL C C 71 176.800 177.757 -0.957 1
1 933 . 19 1 1 A 71 71 VAL CA C 71 67.700 65.828 1.872 1
1 934 . 19 1 1 A 71 71 VAL CB C 71 32.000 31.244 0.756 1
1 937 . 19 1 1 A 71 71 VAL N N 71 120.300 120.253 0.047 1
1 938 . 19 1 1 A 72 72 GLY H H 72 8.540 8.263 0.277 1
1 939 . 19 1 1 A 72 72 GLY HA2 H 72 3.770 3.779 -0.009 1
1 940 . 19 1 1 A 72 72 GLY HA3 H 72 3.630 3.781 -0.151 1
1 941 . 19 1 1 A 72 72 GLY C C 72 176.300 176.301 -0.001 1
1 942 . 19 1 1 A 72 72 GLY CA C 72 47.000 47.528 -0.528 1
1 943 . 19 1 1 A 72 72 GLY N N 72 105.300 109.103 -3.803 1
1 944 . 19 1 1 A 73 73 SER H H 73 7.870 8.101 -0.231 1
1 945 . 19 1 1 A 73 73 SER HA H 73 4.170 4.131 0.039 1
1 948 . 19 1 1 A 73 73 SER C C 73 178.000 176.273 1.727 1
1 949 . 19 1 1 A 73 73 SER CA C 73 60.600 61.436 -0.836 1
1 950 . 19 1 1 A 73 73 SER CB C 73 62.700 62.330 0.370 1
1 951 . 19 1 1 A 73 73 SER N N 73 115.700 116.992 -1.292 1
1 952 . 19 1 1 A 74 74 LEU H H 74 8.340 7.655 0.685 1
1 953 . 19 1 1 A 74 74 LEU HA H 74 4.000 4.116 -0.116 1
1 963 . 19 1 1 A 74 74 LEU C C 74 178.400 178.343 0.057 1
1 964 . 19 1 1 A 74 74 LEU CA C 74 57.900 57.066 0.834 1
1 965 . 19 1 1 A 74 74 LEU CB C 74 41.700 42.481 -0.781 1
1 969 . 19 1 1 A 74 74 LEU N N 74 124.600 123.777 0.823 1
1 970 . 19 1 1 A 75 75 ARG H H 75 7.850 8.571 -0.721 1
1 971 . 19 1 1 A 75 75 ARG HA H 75 3.750 4.036 -0.286 1
1 979 . 19 1 1 A 75 75 ARG C C 75 176.500 177.862 -1.362 1
1 980 . 19 1 1 A 75 75 ARG CA C 75 57.800 58.699 -0.899 1
1 981 . 19 1 1 A 75 75 ARG CB C 75 29.500 29.708 -0.208 1
1 985 . 19 1 1 A 75 75 ARG N N 75 113.300 119.318 -6.018 1
1 987 . 19 1 1 A 76 76 LYS H H 76 7.100 8.207 -1.107 1
1 988 . 19 1 1 A 76 76 LYS HA H 76 4.210 4.283 -0.073 1
1 997 . 19 1 1 A 76 76 LYS C C 76 177.000 176.495 0.505 1
1 998 . 19 1 1 A 76 76 LYS CA C 76 56.500 58.112 -1.612 1
1 999 . 19 1 1 A 76 76 LYS CB C 76 32.700 32.230 0.470 1
1 1003 . 19 1 1 A 76 76 LYS N N 76 116.600 115.658 0.942 1
1 1004 . 19 1 1 A 77 77 LYS H H 77 7.830 7.182 0.648 1
1 1005 . 19 1 1 A 77 77 LYS HA H 77 4.470 4.433 0.037 1
1 1014 . 19 1 1 A 77 77 LYS CA C 77 54.500 53.252 1.248 1
1 1015 . 19 1 1 A 77 77 LYS CB C 77 31.800 32.562 -0.762 1
1 1019 . 19 1 1 A 77 77 LYS N N 77 122.900 122.084 0.816 1
1 1020 . 19 1 1 A 78 78 PRO HA H 78 4.190 4.081 0.109 1
1 1027 . 19 1 1 A 78 78 PRO C C 78 176.600 177.114 -0.514 1
1 1028 . 19 1 1 A 78 78 PRO CA C 78 63.700 63.522 0.178 1
1 1029 . 19 1 1 A 78 78 PRO CB C 78 31.900 31.547 0.353 1
1 1032 . 19 1 1 A 79 79 GLY H H 79 8.290 8.597 -0.307 1
1 1033 . 19 1 1 A 79 79 GLY HA2 H 79 4.350 3.864 0.486 1
1 1034 . 19 1 1 A 79 79 GLY HA3 H 79 3.590 3.938 -0.348 1
1 1035 . 19 1 1 A 79 79 GLY C C 79 172.000 173.732 -1.732 1
1 1036 . 19 1 1 A 79 79 GLY CA C 79 45.500 45.274 0.226 1
1 1037 . 19 1 1 A 79 79 GLY N N 79 109.300 111.225 -1.925 1
1 1038 . 19 1 1 A 80 80 ILE H H 80 7.300 7.481 -0.181 1
1 1039 . 19 1 1 A 80 80 ILE HA H 80 4.770 4.223 0.547 1
1 1049 . 19 1 1 A 80 80 ILE C C 80 174.200 174.591 -0.391 1
1 1050 . 19 1 1 A 80 80 ILE CA C 80 60.500 60.462 0.038 1
1 1051 . 19 1 1 A 80 80 ILE CB C 80 37.000 39.363 -2.363 1
1 1055 . 19 1 1 A 80 80 ILE N N 80 119.200 122.156 -2.956 1
1 1056 . 19 1 1 A 81 81 TYR H H 81 9.490 8.400 1.090 1
1 1057 . 19 1 1 A 81 81 TYR HA H 81 4.840 4.955 -0.115 1
1 1064 . 19 1 1 A 81 81 TYR CA C 81 56.800 55.785 1.015 1
1 1065 . 19 1 1 A 81 81 TYR CB C 81 39.800 40.610 -0.810 1
1 1070 . 19 1 1 A 81 81 TYR N N 81 126.100 126.057 0.043 1
1 1071 . 19 1 1 A 82 82 PRO HA H 82 4.610 4.514 0.096 1
1 1078 . 19 1 1 A 82 82 PRO CA C 82 62.300 62.867 -0.567 1
1 1079 . 19 1 1 A 82 82 PRO CB C 82 32.000 32.500 -0.500 1
1 1082 . 19 1 1 A 83 83 ALA HA H 83 4.140 4.382 -0.242 1
1 1086 . 19 1 1 A 84 84 TYR HA H 84 4.470 4.811 -0.341 1
1 1093 . 19 1 1 A 84 84 TYR CA C 84 57.500 57.191 0.309 1
1 1094 . 19 1 1 A 84 84 TYR CB C 84 39.500 40.040 -0.540 1
1 1099 . 19 1 1 A 87 87 ASN HA H 87 4.410 4.349 0.061 1
1 1104 . 19 1 1 A 87 87 ASN C C 87 176.500 174.100 2.400 1
1 1105 . 19 1 1 A 87 87 ASN CA C 87 55.100 54.234 0.866 1
1 1106 . 19 1 1 A 87 87 ASN CB C 87 40.600 36.775 3.825 1
1 1109 . 19 1 1 A 88 88 LYS H H 88 8.710 7.913 0.797 1
1 1110 . 19 1 1 A 88 88 LYS HA H 88 4.320 4.391 -0.071 1
1 1119 . 19 1 1 A 88 88 LYS C C 88 177.600 176.262 1.338 1
1 1120 . 19 1 1 A 88 88 LYS CA C 88 58.100 55.354 2.746 1
1 1121 . 19 1 1 A 88 88 LYS CB C 88 33.000 30.947 2.053 1
1 1125 . 19 1 1 A 88 88 LYS N N 88 123.800 119.858 3.942 1
1 1126 . 19 1 1 A 89 89 GLU H H 89 8.390 8.095 0.295 1
1 1127 . 19 1 1 A 89 89 GLU HA H 89 4.270 4.509 -0.239 1
1 1132 . 19 1 1 A 89 89 GLU C C 89 176.500 177.338 -0.838 1
1 1133 . 19 1 1 A 89 89 GLU CA C 89 57.800 57.374 0.426 1
1 1134 . 19 1 1 A 89 89 GLU CB C 89 30.100 32.218 -2.118 1
1 1136 . 19 1 1 A 89 89 GLU N N 89 117.000 125.184 -8.184 1
1 1137 . 19 1 1 A 90 90 HIS H H 90 7.600 8.133 -0.533 1
1 1138 . 19 1 1 A 90 90 HIS HA H 90 4.580 4.418 0.162 1
1 1142 . 19 1 1 A 90 90 HIS C C 90 170.800 174.394 -3.594 1
1 1143 . 19 1 1 A 90 90 HIS CA C 90 55.500 56.529 -1.029 1
1 1144 . 19 1 1 A 90 90 HIS CB C 90 32.200 29.750 2.450 1
1 1145 . 19 1 1 A 90 90 HIS N N 90 111.500 113.908 -2.408 1
1 1146 . 19 1 1 A 91 91 TRP H H 91 7.650 7.817 -0.167 1
1 1147 . 19 1 1 A 91 91 TRP HA H 91 5.610 5.254 0.356 1
1 1156 . 19 1 1 A 91 91 TRP C C 91 174.600 175.431 -0.831 1
1 1157 . 19 1 1 A 91 91 TRP CA C 91 55.500 55.693 -0.193 1
1 1158 . 19 1 1 A 91 91 TRP CB C 91 31.700 32.098 -0.398 1
1 1163 . 19 1 1 A 91 91 TRP N N 91 117.400 118.266 -0.866 1
1 1165 . 19 1 1 A 92 92 ILE H H 92 9.100 8.666 0.434 1
1 1166 . 19 1 1 A 92 92 ILE HA H 92 4.630 4.766 -0.136 1
1 1176 . 19 1 1 A 92 92 ILE C C 92 174.500 174.626 -0.126 1
1 1177 . 19 1 1 A 92 92 ILE CA C 92 59.800 59.925 -0.125 1
1 1178 . 19 1 1 A 92 92 ILE CB C 92 42.500 42.095 0.405 1
1 1182 . 19 1 1 A 92 92 ILE N N 92 111.700 122.667 -10.967 1
1 1183 . 19 1 1 A 93 93 THR H H 93 8.570 8.317 0.253 1
1 1184 . 19 1 1 A 93 93 THR HA H 93 4.250 4.987 -0.737 1
1 1190 . 19 1 1 A 93 93 THR CA C 93 61.800 61.953 -0.153 1
1 1191 . 19 1 1 A 93 93 THR CB C 93 70.200 70.207 -0.007 1
1 1193 . 19 1 1 A 93 93 THR N N 93 117.600 120.868 -3.268 1
1 1194 . 19 1 1 A 94 94 VAL HA H 94 4.680 4.676 0.004 1
1 1202 . 19 1 1 A 94 94 VAL C C 94 175.400 174.243 1.157 1
1 1203 . 19 1 1 A 94 94 VAL CA C 94 60.700 60.845 -0.145 1
1 1204 . 19 1 1 A 94 94 VAL CB C 94 34.100 34.223 -0.123 1
1 1207 . 19 1 1 A 95 95 LEU H H 95 8.080 8.511 -0.431 1
1 1208 . 19 1 1 A 95 95 LEU HA H 95 4.330 4.598 -0.268 1
1 1218 . 19 1 1 A 95 95 LEU C C 95 176.400 176.145 0.255 1
1 1219 . 19 1 1 A 95 95 LEU CA C 95 55.000 54.464 0.536 1
1 1220 . 19 1 1 A 95 95 LEU CB C 95 44.300 42.385 1.915 1
1 1224 . 19 1 1 A 95 95 LEU N N 95 127.500 128.291 -0.791 1
1 1225 . 19 1 1 A 96 96 LEU H H 96 8.050 8.518 -0.468 1
1 1226 . 19 1 1 A 96 96 LEU HA H 96 4.150 3.985 0.165 1
1 1236 . 19 1 1 A 96 96 LEU C C 96 177.400 178.337 -0.937 1
1 1237 . 19 1 1 A 96 96 LEU CA C 96 56.500 58.111 -1.611 1
1 1238 . 19 1 1 A 96 96 LEU CB C 96 40.500 41.476 -0.976 1
1 1242 . 19 1 1 A 96 96 LEU N N 96 128.100 127.198 0.902 1
1 1243 . 19 1 1 A 97 97 ASN H H 97 8.690 8.000 0.690 1
1 1244 . 19 1 1 A 97 97 ASN HA H 97 4.740 4.641 0.099 1
1 1249 . 19 1 1 A 97 97 ASN C C 97 174.900 176.768 -1.868 1
1 1250 . 19 1 1 A 97 97 ASN CA C 97 53.000 55.213 -2.213 1
1 1251 . 19 1 1 A 97 97 ASN CB C 97 37.700 38.725 -1.025 1
1 1252 . 19 1 1 A 97 97 ASN N N 97 117.200 115.937 1.263 1
1 1254 . 19 1 1 A 98 98 GLY H H 98 7.820 7.938 -0.118 1
1 1255 . 19 1 1 A 98 98 GLY HA2 H 98 4.470 4.104 0.366 1
1 1256 . 19 1 1 A 98 98 GLY HA3 H 98 3.740 4.113 -0.373 1
1 1257 . 19 1 1 A 98 98 GLY C C 98 174.900 174.565 0.335 1
1 1258 . 19 1 1 A 98 98 GLY CA C 98 44.900 44.496 0.404 1
1 1259 . 19 1 1 A 98 98 GLY N N 98 108.600 107.821 0.779 1
1 1260 . 19 1 1 A 99 99 PRO HA H 99 4.380 4.565 -0.185 1
1 1267 . 19 1 1 A 99 99 PRO C C 99 177.400 176.398 1.002 1
1 1268 . 19 1 1 A 99 99 PRO CA C 99 63.900 63.816 0.084 1
1 1269 . 19 1 1 A 99 99 PRO CB C 99 32.400 31.678 0.722 1
1 1272 . 19 1 1 A 100 100 LEU H H 100 7.750 7.662 0.088 1
1 1273 . 19 1 1 A 100 100 LEU HA H 100 4.280 4.381 -0.101 1
1 1283 . 19 1 1 A 100 100 LEU C C 100 177.400 177.049 0.351 1
1 1284 . 19 1 1 A 100 100 LEU CA C 100 55.800 53.753 2.047 1
1 1285 . 19 1 1 A 100 100 LEU CB C 100 42.600 42.821 -0.221 1
1 1289 . 19 1 1 A 100 100 LEU N N 100 120.300 115.398 4.902 1
1 1290 . 19 1 1 A 101 101 GLY H H 101 8.620 8.353 0.267 1
1 1291 . 19 1 1 A 101 101 GLY HA2 H 101 4.110 4.132 -0.022 1
1 1292 . 19 1 1 A 101 101 GLY HA3 H 101 3.890 4.140 -0.250 1
1 1293 . 19 1 1 A 101 101 GLY C C 101 173.600 174.638 -1.038 1
1 1294 . 19 1 1 A 101 101 GLY CA C 101 44.300 43.994 0.306 1
1 1295 . 19 1 1 A 101 101 GLY N N 101 110.600 107.902 2.698 1
1 1296 . 19 1 1 A 102 102 ALA H H 102 8.310 8.674 -0.364 1
1 1297 . 19 1 1 A 102 102 ALA HA H 102 3.520 3.784 -0.264 1
1 1301 . 19 1 1 A 102 102 ALA C C 102 178.900 179.363 -0.463 1
1 1302 . 19 1 1 A 102 102 ALA CA C 102 55.400 54.428 0.972 1
1 1303 . 19 1 1 A 102 102 ALA CB C 102 18.600 18.030 0.570 1
1 1304 . 19 1 1 A 102 102 ALA N N 102 122.000 122.365 -0.365 1
1 1305 . 19 1 1 A 103 103 LYS H H 103 8.360 7.801 0.559 1
1 1306 . 19 1 1 A 103 103 LYS HA H 103 3.730 3.910 -0.180 1
1 1315 . 19 1 1 A 103 103 LYS C C 103 179.400 178.566 0.834 1
1 1316 . 19 1 1 A 103 103 LYS CA C 103 60.000 59.160 0.840 1
1 1317 . 19 1 1 A 103 103 LYS CB C 103 31.900 32.350 -0.450 1
1 1321 . 19 1 1 A 103 103 LYS N N 103 116.500 116.337 0.163 1
1 1322 . 19 1 1 A 104 104 GLU H H 104 7.890 7.873 0.017 1
1 1323 . 19 1 1 A 104 104 GLU HA H 104 4.080 4.189 -0.109 1
1 1328 . 19 1 1 A 104 104 GLU C C 104 179.300 179.321 -0.021 1
1 1329 . 19 1 1 A 104 104 GLU CA C 104 59.500 58.866 0.634 1
1 1330 . 19 1 1 A 104 104 GLU CB C 104 29.100 29.494 -0.394 1
1 1332 . 19 1 1 A 104 104 GLU N N 104 120.000 118.854 1.146 1
1 1333 . 19 1 1 A 105 105 ILE H H 105 8.170 7.583 0.587 1
1 1334 . 19 1 1 A 105 105 ILE HA H 105 3.520 3.671 -0.151 1
1 1344 . 19 1 1 A 105 105 ILE C C 105 178.100 178.167 -0.067 1
1 1345 . 19 1 1 A 105 105 ILE CA C 105 66.700 65.294 1.406 1
1 1346 . 19 1 1 A 105 105 ILE CB C 105 37.700 37.640 0.060 1
1 1350 . 19 1 1 A 105 105 ILE N N 105 119.500 120.574 -1.074 1
1 1351 . 19 1 1 A 106 106 HIS H H 106 8.930 8.415 0.515 1
1 1352 . 19 1 1 A 106 106 HIS HA H 106 4.230 4.198 0.032 1
1 1356 . 19 1 1 A 106 106 HIS C C 106 178.000 177.858 0.142 1
1 1357 . 19 1 1 A 106 106 HIS CA C 106 57.600 59.864 -2.264 1
1 1358 . 19 1 1 A 106 106 HIS CB C 106 28.400 29.818 -1.418 1
1 1360 . 19 1 1 A 106 106 HIS N N 106 116.700 120.182 -3.482 1
1 1361 . 19 1 1 A 107 107 SER H H 107 8.060 7.861 0.199 1
1 1362 . 19 1 1 A 107 107 SER HA H 107 4.310 4.165 0.145 1
1 1365 . 19 1 1 A 107 107 SER C C 107 175.900 177.602 -1.702 1
1 1366 . 19 1 1 A 107 107 SER CA C 107 62.200 61.400 0.800 1
1 1367 . 19 1 1 A 107 107 SER CB C 107 62.500 62.855 -0.355 1
1 1368 . 19 1 1 A 107 107 SER N N 107 117.000 115.066 1.934 1
1 1369 . 19 1 1 A 108 108 LEU H H 108 7.950 8.260 -0.310 1
1 1370 . 19 1 1 A 108 108 LEU HA H 108 4.180 4.043 0.137 1
1 1380 . 19 1 1 A 108 108 LEU C C 108 180.600 179.067 1.533 1
1 1381 . 19 1 1 A 108 108 LEU CA C 108 57.900 58.024 -0.124 1
1 1382 . 19 1 1 A 108 108 LEU CB C 108 42.500 41.871 0.629 1
1 1386 . 19 1 1 A 108 108 LEU N N 108 121.800 121.748 0.052 1
1 1387 . 19 1 1 A 109 109 ILE H H 109 8.730 8.586 0.144 1
1 1388 . 19 1 1 A 109 109 ILE HA H 109 3.830 3.784 0.046 1
1 1398 . 19 1 1 A 109 109 ILE C C 109 176.800 178.310 -1.510 1
1 1399 . 19 1 1 A 109 109 ILE CA C 109 65.800 66.032 -0.232 1
1 1400 . 19 1 1 A 109 109 ILE CB C 109 38.600 37.912 0.688 1
1 1404 . 19 1 1 A 109 109 ILE N N 109 120.200 120.017 0.183 1
1 1405 . 19 1 1 A 110 110 GLU H H 110 7.960 8.711 -0.751 1
1 1406 . 19 1 1 A 110 110 GLU HA H 110 4.280 4.039 0.241 1
1 1411 . 19 1 1 A 110 110 GLU C C 110 178.500 178.621 -0.121 1
1 1412 . 19 1 1 A 110 110 GLU CA C 110 58.800 60.040 -1.240 1
1 1413 . 19 1 1 A 110 110 GLU CB C 110 28.200 29.433 -1.233 1
1 1415 . 19 1 1 A 110 110 GLU N N 110 120.800 121.543 -0.743 1
1 1416 . 19 1 1 A 111 111 ASP H H 111 8.290 8.008 0.282 1
1 1417 . 19 1 1 A 111 111 ASP HA H 111 4.470 4.476 -0.006 1
1 1420 . 19 1 1 A 111 111 ASP C C 111 178.200 178.665 -0.465 1
1 1421 . 19 1 1 A 111 111 ASP CA C 111 57.100 57.311 -0.211 1
1 1422 . 19 1 1 A 111 111 ASP CB C 111 39.300 40.017 -0.717 1
1 1423 . 19 1 1 A 111 111 ASP N N 111 119.200 120.841 -1.641 1
1 1424 . 19 1 1 A 112 112 SER H H 112 7.800 8.215 -0.415 1
1 1425 . 19 1 1 A 112 112 SER HA H 112 4.200 4.245 -0.045 1
1 1428 . 19 1 1 A 112 112 SER C C 112 178.600 176.067 2.533 1
1 1429 . 19 1 1 A 112 112 SER CA C 112 61.200 62.445 -1.245 1
1 1430 . 19 1 1 A 112 112 SER CB C 112 64.200 63.759 0.441 1
1 1431 . 19 1 1 A 112 112 SER N N 112 114.700 116.468 -1.768 1
1 1432 . 19 1 1 A 113 113 PHE H H 113 9.160 8.459 0.701 1
1 1433 . 19 1 1 A 113 113 PHE HA H 113 3.210 4.496 -1.286 1
1 1436 . 19 1 1 A 113 113 PHE C C 113 178.100 177.873 0.227 1
1 1437 . 19 1 1 A 113 113 PHE CA C 113 62.900 62.057 0.843 1
1 1438 . 19 1 1 A 113 113 PHE CB C 113 39.100 39.540 -0.440 1
1 1439 . 19 1 1 A 113 113 PHE N N 113 121.400 122.987 -1.587 1
1 1440 . 19 1 1 A 114 114 GLN H H 114 8.870 8.139 0.731 1
1 1441 . 19 1 1 A 114 114 GLN HA H 114 4.000 3.812 0.188 1
1 1448 . 19 1 1 A 114 114 GLN C C 114 179.700 179.121 0.579 1
1 1449 . 19 1 1 A 114 114 GLN CA C 114 58.300 58.970 -0.670 1
1 1450 . 19 1 1 A 114 114 GLN CB C 114 27.600 28.009 -0.409 1
1 1453 . 19 1 1 A 114 114 GLN N N 114 116.800 117.993 -1.193 1
1 1455 . 19 1 1 A 115 115 LEU H H 115 8.570 7.707 0.863 1
1 1456 . 19 1 1 A 115 115 LEU HA H 115 4.090 3.955 0.135 1
1 1466 . 19 1 1 A 115 115 LEU C C 115 178.600 177.678 0.922 1
1 1467 . 19 1 1 A 115 115 LEU CA C 115 57.300 57.745 -0.445 1
1 1468 . 19 1 1 A 115 115 LEU CB C 115 43.200 41.900 1.300 1
1 1472 . 19 1 1 A 115 115 LEU N N 115 119.800 120.028 -0.228 1
1 1473 . 19 1 1 A 116 116 THR H H 116 7.240 7.174 0.066 1
1 1474 . 19 1 1 A 116 116 THR HA H 116 4.270 4.152 0.118 1
1 1480 . 19 1 1 A 116 116 THR C C 116 173.200 174.322 -1.122 1
1 1481 . 19 1 1 A 116 116 THR CA C 116 60.700 61.490 -0.790 1
1 1482 . 19 1 1 A 116 116 THR CB C 116 70.800 68.935 1.865 1
1 1484 . 19 1 1 A 116 116 THR N N 116 104.900 106.216 -1.316 1
1 1485 . 19 1 1 A 117 117 ARG H H 117 6.840 7.152 -0.312 1
1 1486 . 19 1 1 A 117 117 ARG HA H 117 3.060 3.519 -0.459 1
1 1494 . 19 1 1 A 117 117 ARG C C 117 175.200 176.287 -1.087 1
1 1495 . 19 1 1 A 117 117 ARG CA C 117 55.900 56.109 -0.209 1
1 1496 . 19 1 1 A 117 117 ARG CB C 117 31.100 30.316 0.784 1
1 1500 . 19 1 1 A 117 117 ARG N N 117 120.900 123.938 -3.038 1
1 1502 . 19 1 1 A 118 118 LEU H H 118 8.380 8.607 -0.227 1
1 1503 . 19 1 1 A 118 118 LEU HA H 118 4.100 4.299 -0.199 1
1 1513 . 19 1 1 A 118 118 LEU C C 118 176.500 176.963 -0.463 1
1 1514 . 19 1 1 A 118 118 LEU CA C 118 55.300 54.688 0.612 1
1 1515 . 19 1 1 A 118 118 LEU CB C 118 42.400 43.102 -0.702 1
1 1519 . 19 1 1 A 118 118 LEU N N 118 122.600 125.409 -2.809 1
1 1520 . 19 1 1 A 119 119 GLU H H 119 8.330 8.892 -0.562 1
1 1521 . 19 1 1 A 119 119 GLU HA H 119 4.160 3.942 0.218 1
1 1526 . 19 1 1 A 119 119 GLU C C 119 175.800 175.045 0.755 1
1 1527 . 19 1 1 A 119 119 GLU CA C 119 56.000 57.172 -1.172 1
1 1528 . 19 1 1 A 119 119 GLU CB C 119 30.300 28.538 1.762 1
1 1530 . 19 1 1 A 119 119 GLU N N 119 124.000 117.977 6.023 1
1 1531 . 19 1 1 A 120 120 HIS H H 120 8.520 8.509 0.011 1
1 1532 . 19 1 1 A 120 120 HIS HA H 120 4.620 4.893 -0.273 1
1 1535 . 19 1 1 A 120 120 HIS C C 120 174.000 175.220 -1.220 1
1 1536 . 19 1 1 A 120 120 HIS CA C 120 55.300 55.738 -0.438 1
1 1537 . 19 1 1 A 120 120 HIS CB C 120 29.300 31.288 -1.988 1
1 1538 . 19 1 1 A 120 120 HIS N N 120 120.100 123.686 -3.586 1
1 1539 . 19 1 1 A 121 121 HIS H H 121 8.580 8.433 0.147 1
1 1540 . 19 1 1 A 121 121 HIS HA H 121 4.620 4.458 0.162 1
1 1543 . 19 1 1 A 121 121 HIS C C 121 173.500 174.602 -1.102 1
1 1544 . 19 1 1 A 121 121 HIS CA C 121 55.300 56.278 -0.978 1
1 1545 . 19 1 1 A 121 121 HIS CB C 121 29.200 30.271 -1.071 1
1 1546 . 19 1 1 A 121 121 HIS N N 121 120.800 123.884 -3.084 1
1 1547 . 19 1 1 A 122 122 HIS H H 122 8.400 8.242 0.158 1
1 1548 . 19 1 1 A 122 122 HIS HA H 122 4.620 4.968 -0.348 1
1 1551 . 19 1 1 A 122 122 HIS CA C 122 55.300 53.710 1.590 1
1 1552 . 19 1 1 A 122 122 HIS CB C 122 29.200 32.773 -3.573 1
1 1553 . 19 1 1 A 122 122 HIS N N 122 125.700 115.863 9.837 1
1 1554 . 19 1 1 A 123 123 HIS H H 123 8.690 8.677 0.013 1
1 1555 . 19 1 1 A 123 123 HIS HA H 123 4.640 4.540 0.100 1
1 1558 . 19 1 1 A 123 123 HIS C C 123 174.100 175.399 -1.299 1
1 1559 . 19 1 1 A 123 123 HIS CA C 123 55.300 57.146 -1.846 1
1 1560 . 19 1 1 A 123 123 HIS CB C 123 29.300 30.791 -1.491 1
1 1561 . 19 1 1 A 123 123 HIS N N 123 120.200 117.021 3.179 1
1 1562 . 19 1 1 A 124 124 HIS H H 124 8.710 7.559 1.151 1
1 1563 . 19 1 1 A 124 124 HIS HA H 124 4.640 4.746 -0.106 1
1 1566 . 19 1 1 A 124 124 HIS C C 124 174.200 174.277 -0.077 1
1 1567 . 19 1 1 A 124 124 HIS CA C 124 55.300 54.433 0.867 1
1 1568 . 19 1 1 A 124 124 HIS CB C 124 29.300 31.455 -2.155 1
1 14 . 20 1 1 A 2 2 ASN H H 2 8.500 8.538 -0.038 1
1 15 . 20 1 1 A 2 2 ASN HA H 2 4.990 5.061 -0.071 1
1 20 . 20 1 1 A 2 2 ASN C C 2 175.600 175.702 -0.102 1
1 21 . 20 1 1 A 2 2 ASN CA C 2 51.000 51.325 -0.325 1
1 22 . 20 1 1 A 2 2 ASN CB C 2 40.000 39.233 0.767 1
1 24 . 20 1 1 A 2 2 ASN N N 2 122.000 124.008 -2.008 1
1 26 . 20 1 1 A 3 3 ARG H H 3 8.950 9.012 -0.062 1
1 27 . 20 1 1 A 3 3 ARG HA H 3 3.850 4.050 -0.200 1
1 35 . 20 1 1 A 3 3 ARG C C 3 175.600 177.745 -2.145 1
1 36 . 20 1 1 A 3 3 ARG CA C 3 60.400 59.694 0.706 1
1 37 . 20 1 1 A 3 3 ARG CB C 3 30.900 30.007 0.893 1
1 41 . 20 1 1 A 3 3 ARG N N 3 117.600 121.345 -3.745 1
1 43 . 20 1 1 A 4 4 GLN H H 4 8.370 8.242 0.128 1
1 44 . 20 1 1 A 4 4 GLN HA H 4 3.900 4.096 -0.196 1
1 51 . 20 1 1 A 4 4 GLN C C 4 178.300 178.375 -0.075 1
1 52 . 20 1 1 A 4 4 GLN CA C 4 58.900 59.368 -0.468 1
1 53 . 20 1 1 A 4 4 GLN CB C 4 28.200 28.213 -0.013 1
1 56 . 20 1 1 A 4 4 GLN N N 4 120.700 118.861 1.839 1
1 58 . 20 1 1 A 5 5 GLN H H 5 8.670 8.828 -0.158 1
1 59 . 20 1 1 A 5 5 GLN HA H 5 4.190 4.148 0.042 1
1 66 . 20 1 1 A 5 5 GLN C C 5 180.000 178.573 1.427 1
1 67 . 20 1 1 A 5 5 GLN CA C 5 58.500 58.970 -0.470 1
1 68 . 20 1 1 A 5 5 GLN CB C 5 28.900 28.490 0.410 1
1 71 . 20 1 1 A 5 5 GLN N N 5 117.700 118.639 -0.939 1
1 73 . 20 1 1 A 6 6 PHE H H 6 8.270 7.902 0.368 1
1 74 . 20 1 1 A 6 6 PHE HA H 6 4.130 4.207 -0.077 1
1 82 . 20 1 1 A 6 6 PHE C C 6 175.500 177.372 -1.872 1
1 83 . 20 1 1 A 6 6 PHE CA C 6 62.700 61.252 1.448 1
1 84 . 20 1 1 A 6 6 PHE CB C 6 39.000 39.263 -0.263 1
1 90 . 20 1 1 A 6 6 PHE N N 6 121.200 121.350 -0.150 1
1 91 . 20 1 1 A 7 7 ILE H H 7 8.390 8.355 0.035 1
1 92 . 20 1 1 A 7 7 ILE HA H 7 3.280 3.521 -0.241 1
1 102 . 20 1 1 A 7 7 ILE C C 7 178.900 177.525 1.375 1
1 103 . 20 1 1 A 7 7 ILE CA C 7 66.400 65.374 1.026 1
1 104 . 20 1 1 A 7 7 ILE CB C 7 38.500 38.087 0.413 1
1 108 . 20 1 1 A 7 7 ILE N N 7 121.000 120.739 0.261 1
1 109 . 20 1 1 A 8 8 ASP H H 8 8.710 8.067 0.643 1
1 110 . 20 1 1 A 8 8 ASP HA H 8 4.370 4.274 0.096 1
1 113 . 20 1 1 A 8 8 ASP C C 8 178.000 178.379 -0.379 1
1 114 . 20 1 1 A 8 8 ASP CA C 8 57.300 57.434 -0.134 1
1 115 . 20 1 1 A 8 8 ASP CB C 8 40.600 40.504 0.096 1
1 116 . 20 1 1 A 8 8 ASP N N 8 119.800 119.378 0.422 1
1 117 . 20 1 1 A 9 9 TYR H H 9 8.060 8.610 -0.550 1
1 118 . 20 1 1 A 9 9 TYR HA H 9 4.000 4.034 -0.034 1
1 125 . 20 1 1 A 9 9 TYR C C 9 176.500 177.636 -1.136 1
1 126 . 20 1 1 A 9 9 TYR CA C 9 61.700 61.841 -0.141 1
1 127 . 20 1 1 A 9 9 TYR CB C 9 38.600 38.252 0.348 1
1 132 . 20 1 1 A 9 9 TYR N N 9 121.600 122.525 -0.925 1
1 133 . 20 1 1 A 10 10 ALA H H 10 8.340 8.620 -0.280 1
1 134 . 20 1 1 A 10 10 ALA HA H 10 3.730 3.878 -0.148 1
1 138 . 20 1 1 A 10 10 ALA C C 10 180.200 179.770 0.430 1
1 139 . 20 1 1 A 10 10 ALA CA C 10 55.200 55.344 -0.144 1
1 140 . 20 1 1 A 10 10 ALA CB C 10 17.300 17.616 -0.316 1
1 141 . 20 1 1 A 10 10 ALA N N 10 120.700 121.267 -0.567 1
1 142 . 20 1 1 A 11 11 GLN H H 11 7.830 7.769 0.061 1
1 143 . 20 1 1 A 11 11 GLN HA H 11 4.130 4.009 0.121 1
1 150 . 20 1 1 A 11 11 GLN C C 11 178.300 178.611 -0.311 1
1 151 . 20 1 1 A 11 11 GLN CA C 11 59.200 58.727 0.473 1
1 152 . 20 1 1 A 11 11 GLN CB C 11 28.600 28.405 0.195 1
1 155 . 20 1 1 A 11 11 GLN N N 11 116.600 117.734 -1.134 1
1 157 . 20 1 1 A 12 12 LYS H H 12 8.040 7.724 0.316 1
1 158 . 20 1 1 A 12 12 LYS HA H 12 3.890 3.899 -0.009 1
1 167 . 20 1 1 A 12 12 LYS C C 12 178.200 178.014 0.186 1
1 168 . 20 1 1 A 12 12 LYS CA C 12 58.800 58.770 0.030 1
1 169 . 20 1 1 A 12 12 LYS CB C 12 32.700 31.818 0.882 1
1 173 . 20 1 1 A 12 12 LYS N N 12 119.300 120.776 -1.476 1
1 174 . 20 1 1 A 13 13 LYS H H 13 8.440 7.436 1.004 1
1 175 . 20 1 1 A 13 13 LYS HA H 13 3.610 3.663 -0.053 1
1 184 . 20 1 1 A 13 13 LYS C C 13 177.600 177.414 0.186 1
1 185 . 20 1 1 A 13 13 LYS CA C 13 56.900 58.027 -1.127 1
1 186 . 20 1 1 A 13 13 LYS CB C 13 32.000 32.561 -0.561 1
1 190 . 20 1 1 A 13 13 LYS N N 13 117.700 118.675 -0.975 1
1 191 . 20 1 1 A 14 14 TYR H H 14 6.780 8.289 -1.509 1
1 192 . 20 1 1 A 14 14 TYR HA H 14 4.530 4.653 -0.123 1
1 199 . 20 1 1 A 14 14 TYR C C 14 175.800 174.596 1.204 1
1 200 . 20 1 1 A 14 14 TYR CA C 14 56.600 57.516 -0.916 1
1 201 . 20 1 1 A 14 14 TYR CB C 14 39.500 39.433 0.067 1
1 206 . 20 1 1 A 14 14 TYR N N 14 113.100 114.416 -1.316 1
1 207 . 20 1 1 A 15 15 ASP H H 15 7.620 8.544 -0.924 1
1 208 . 20 1 1 A 15 15 ASP HA H 15 4.810 4.501 0.309 1
1 211 . 20 1 1 A 15 15 ASP C C 15 175.200 174.562 0.638 1
1 212 . 20 1 1 A 15 15 ASP CA C 15 55.100 55.478 -0.378 1
1 213 . 20 1 1 A 15 15 ASP CB C 15 39.300 38.975 0.325 1
1 214 . 20 1 1 A 15 15 ASP N N 15 119.600 117.717 1.883 1
1 215 . 20 1 1 A 16 16 THR H H 16 7.560 7.786 -0.226 1
1 216 . 20 1 1 A 16 16 THR HA H 16 4.650 4.813 -0.163 1
1 222 . 20 1 1 A 16 16 THR C C 16 173.200 173.936 -0.736 1
1 223 . 20 1 1 A 16 16 THR CA C 16 61.500 61.356 0.144 1
1 224 . 20 1 1 A 16 16 THR CB C 16 71.000 71.769 -0.769 1
1 226 . 20 1 1 A 16 16 THR N N 16 113.100 113.535 -0.435 1
1 227 . 20 1 1 A 17 17 LYS H H 17 8.830 8.639 0.191 1
1 228 . 20 1 1 A 17 17 LYS HA H 17 4.690 4.747 -0.057 1
1 235 . 20 1 1 A 17 17 LYS C C 17 173.200 174.568 -1.368 1
1 236 . 20 1 1 A 17 17 LYS CA C 17 53.600 54.245 -0.645 1
1 237 . 20 1 1 A 17 17 LYS CB C 17 32.800 31.951 0.849 1
1 241 . 20 1 1 A 17 17 LYS N N 17 127.200 126.473 0.727 1
1 242 . 20 1 1 A 18 18 PRO HA H 18 3.540 3.819 -0.279 1
1 249 . 20 1 1 A 18 18 PRO C C 18 175.800 175.086 0.714 1
1 250 . 20 1 1 A 18 18 PRO CA C 18 62.000 63.050 -1.050 1
1 251 . 20 1 1 A 18 18 PRO CB C 18 32.200 31.874 0.326 1
1 254 . 20 1 1 A 19 19 ASP H H 19 8.310 7.758 0.552 1
1 255 . 20 1 1 A 19 19 ASP HA H 19 4.740 4.869 -0.129 1
1 258 . 20 1 1 A 19 19 ASP C C 19 175.100 174.425 0.675 1
1 259 . 20 1 1 A 19 19 ASP CA C 19 52.300 52.631 -0.331 1
1 260 . 20 1 1 A 19 19 ASP CB C 19 43.700 42.853 0.847 1
1 261 . 20 1 1 A 19 19 ASP N N 19 120.300 121.937 -1.637 1
1 262 . 20 1 1 A 20 20 HIS H H 20 8.620 8.924 -0.304 1
1 263 . 20 1 1 A 20 20 HIS HA H 20 5.170 4.864 0.306 1
1 266 . 20 1 1 A 20 20 HIS CA C 20 53.200 54.813 -1.613 1
1 267 . 20 1 1 A 20 20 HIS CB C 20 28.800 29.991 -1.191 1
1 268 . 20 1 1 A 20 20 HIS N N 20 118.800 125.460 -6.660 1
1 269 . 20 1 1 A 21 21 PRO HA H 21 4.190 4.154 0.036 1
1 276 . 20 1 1 A 21 21 PRO C C 21 176.600 176.476 0.124 1
1 277 . 20 1 1 A 21 21 PRO CA C 21 63.900 65.660 -1.760 1
1 278 . 20 1 1 A 21 21 PRO CB C 21 32.100 31.137 0.963 1
1 281 . 20 1 1 A 22 22 TRP H H 22 8.340 7.698 0.642 1
1 282 . 20 1 1 A 22 22 TRP HA H 22 5.000 4.744 0.256 1
1 291 . 20 1 1 A 22 22 TRP C C 22 174.200 177.992 -3.792 1
1 292 . 20 1 1 A 22 22 TRP CA C 22 57.100 57.590 -0.490 1
1 293 . 20 1 1 A 22 22 TRP CB C 22 29.400 29.900 -0.500 1
1 299 . 20 1 1 A 22 22 TRP N N 22 118.700 118.851 -0.151 1
1 301 . 20 1 1 A 23 23 GLU H H 23 9.030 9.095 -0.065 1
1 302 . 20 1 1 A 23 23 GLU HA H 23 4.000 4.141 -0.141 1
1 307 . 20 1 1 A 23 23 GLU C C 23 177.900 177.895 0.005 1
1 308 . 20 1 1 A 23 23 GLU CA C 23 59.100 59.177 -0.077 1
1 309 . 20 1 1 A 23 23 GLU CB C 23 29.200 29.215 -0.015 1
1 311 . 20 1 1 A 23 23 GLU N N 23 128.400 123.191 5.209 1
1 312 . 20 1 1 A 24 24 LYS H H 24 8.500 7.922 0.578 1
1 313 . 20 1 1 A 24 24 LYS HA H 24 3.890 4.009 -0.119 1
1 322 . 20 1 1 A 24 24 LYS C C 24 175.300 176.236 -0.936 1
1 323 . 20 1 1 A 24 24 LYS CA C 24 57.100 58.049 -0.949 1
1 324 . 20 1 1 A 24 24 LYS CB C 24 32.300 31.753 0.547 1
1 328 . 20 1 1 A 24 24 LYS N N 24 115.100 117.722 -2.622 1
1 329 . 20 1 1 A 25 25 PHE H H 25 7.010 7.760 -0.750 1
1 330 . 20 1 1 A 25 25 PHE HA H 25 4.740 5.109 -0.369 1
1 338 . 20 1 1 A 25 25 PHE C C 25 175.300 174.658 0.642 1
1 339 . 20 1 1 A 25 25 PHE CA C 25 54.300 55.070 -0.770 1
1 340 . 20 1 1 A 25 25 PHE CB C 25 39.200 38.865 0.335 1
1 346 . 20 1 1 A 25 25 PHE N N 25 115.100 117.423 -2.323 1
1 347 . 20 1 1 A 26 26 PRO HA H 26 4.380 4.859 -0.479 1
1 354 . 20 1 1 A 26 26 PRO C C 26 176.900 177.383 -0.483 1
1 355 . 20 1 1 A 26 26 PRO CA C 26 64.900 64.875 0.025 1
1 356 . 20 1 1 A 26 26 PRO CB C 26 32.200 31.945 0.255 1
1 359 . 20 1 1 A 27 27 ASP H H 27 8.860 8.892 -0.032 1
1 360 . 20 1 1 A 27 27 ASP HA H 27 4.810 4.748 0.062 1
1 363 . 20 1 1 A 27 27 ASP C C 27 177.200 175.991 1.209 1
1 364 . 20 1 1 A 27 27 ASP CA C 27 53.900 55.216 -1.316 1
1 365 . 20 1 1 A 27 27 ASP CB C 27 39.900 41.403 -1.503 1
1 366 . 20 1 1 A 27 27 ASP N N 27 114.400 118.064 -3.664 1
1 367 . 20 1 1 A 28 28 TYR H H 28 8.300 7.864 0.436 1
1 368 . 20 1 1 A 28 28 TYR HA H 28 5.500 5.096 0.404 1
1 375 . 20 1 1 A 28 28 TYR C C 28 175.900 175.855 0.045 1
1 376 . 20 1 1 A 28 28 TYR CA C 28 55.600 57.247 -1.647 1
1 377 . 20 1 1 A 28 28 TYR CB C 28 36.400 40.654 -4.254 1
1 382 . 20 1 1 A 28 28 TYR N N 28 123.700 119.343 4.357 1
1 383 . 20 1 1 A 29 29 ALA H H 29 9.240 8.547 0.693 1
1 384 . 20 1 1 A 29 29 ALA HA H 29 5.030 5.128 -0.098 1
1 388 . 20 1 1 A 29 29 ALA C C 29 174.600 175.562 -0.962 1
1 389 . 20 1 1 A 29 29 ALA CA C 29 49.700 49.791 -0.091 1
1 390 . 20 1 1 A 29 29 ALA CB C 29 22.800 23.005 -0.205 1
1 391 . 20 1 1 A 29 29 ALA N N 29 126.000 124.349 1.651 1
1 392 . 20 1 1 A 30 30 VAL H H 30 8.530 8.138 0.392 1
1 393 . 20 1 1 A 30 30 VAL HA H 30 4.250 4.671 -0.421 1
1 401 . 20 1 1 A 30 30 VAL C C 30 173.400 174.240 -0.840 1
1 402 . 20 1 1 A 30 30 VAL CA C 30 60.300 60.970 -0.670 1
1 403 . 20 1 1 A 30 30 VAL CB C 30 34.100 34.708 -0.608 1
1 406 . 20 1 1 A 30 30 VAL N N 30 119.700 120.029 -0.329 1
1 407 . 20 1 1 A 31 31 PHE H H 31 8.040 9.510 -1.470 1
1 408 . 20 1 1 A 31 31 PHE HA H 31 4.250 5.048 -0.798 1
1 416 . 20 1 1 A 31 31 PHE C C 31 173.200 175.034 -1.834 1
1 417 . 20 1 1 A 31 31 PHE CA C 31 56.700 56.305 0.395 1
1 418 . 20 1 1 A 31 31 PHE CB C 31 38.500 41.002 -2.502 1
1 424 . 20 1 1 A 31 31 PHE N N 31 124.100 126.082 -1.982 1
1 425 . 20 1 1 A 32 32 ARG H H 32 8.720 8.829 -0.109 1
1 426 . 20 1 1 A 32 32 ARG HA H 32 5.320 4.825 0.495 1
1 434 . 20 1 1 A 32 32 ARG C C 32 176.400 174.244 2.156 1
1 435 . 20 1 1 A 32 32 ARG CA C 32 53.400 54.150 -0.750 1
1 436 . 20 1 1 A 32 32 ARG CB C 32 34.200 33.850 0.350 1
1 440 . 20 1 1 A 32 32 ARG N N 32 122.300 121.224 1.076 1
1 442 . 20 1 1 A 33 33 HIS H H 33 8.560 8.684 -0.124 1
1 443 . 20 1 1 A 33 33 HIS HA H 33 4.710 5.018 -0.308 1
1 446 . 20 1 1 A 33 33 HIS C C 33 176.400 175.677 0.723 1
1 447 . 20 1 1 A 33 33 HIS CA C 33 56.500 55.008 1.492 1
1 448 . 20 1 1 A 33 33 HIS CB C 33 28.900 31.529 -2.629 1
1 449 . 20 1 1 A 33 33 HIS N N 33 119.800 120.336 -0.536 1
1 450 . 20 1 1 A 34 34 SER H H 34 9.160 9.149 0.011 1
1 451 . 20 1 1 A 34 34 SER HA H 34 4.390 4.086 0.304 1
1 454 . 20 1 1 A 34 34 SER C C 34 174.900 176.651 -1.751 1
1 455 . 20 1 1 A 34 34 SER CA C 34 60.400 61.547 -1.147 1
1 456 . 20 1 1 A 34 34 SER CB C 34 63.200 63.131 0.069 1
1 457 . 20 1 1 A 34 34 SER N N 34 118.700 119.440 -0.740 1
1 458 . 20 1 1 A 35 35 ASP H H 35 8.660 8.487 0.173 1
1 459 . 20 1 1 A 35 35 ASP HA H 35 4.570 4.410 0.160 1
1 462 . 20 1 1 A 35 35 ASP C C 35 177.000 177.750 -0.750 1
1 463 . 20 1 1 A 35 35 ASP CA C 35 54.300 57.308 -3.008 1
1 464 . 20 1 1 A 35 35 ASP CB C 35 39.700 40.739 -1.039 1
1 465 . 20 1 1 A 35 35 ASP N N 35 118.200 121.887 -3.687 1
1 466 . 20 1 1 A 36 36 ASN H H 36 7.900 7.812 0.088 1
1 467 . 20 1 1 A 36 36 ASN HA H 36 4.660 4.761 -0.101 1
1 472 . 20 1 1 A 36 36 ASN C C 36 175.100 175.073 0.027 1
1 473 . 20 1 1 A 36 36 ASN CA C 36 52.000 53.109 -1.109 1
1 474 . 20 1 1 A 36 36 ASN CB C 36 38.900 40.548 -1.648 1
1 476 . 20 1 1 A 36 36 ASN N N 36 116.200 114.177 2.023 1
1 478 . 20 1 1 A 37 37 ASP H H 37 7.890 8.350 -0.460 1
1 479 . 20 1 1 A 37 37 ASP HA H 37 4.670 4.026 0.644 1
1 482 . 20 1 1 A 37 37 ASP C C 37 175.800 175.696 0.104 1
1 483 . 20 1 1 A 37 37 ASP CA C 37 55.800 54.729 1.071 1
1 484 . 20 1 1 A 37 37 ASP CB C 37 40.500 38.372 2.128 1
1 485 . 20 1 1 A 37 37 ASP N N 37 115.300 118.573 -3.273 1
1 486 . 20 1 1 A 38 38 LYS H H 38 8.310 7.239 1.071 1
1 487 . 20 1 1 A 38 38 LYS HA H 38 4.390 3.942 0.448 1
1 496 . 20 1 1 A 38 38 LYS C C 38 175.300 176.112 -0.812 1
1 497 . 20 1 1 A 38 38 LYS CA C 38 56.700 55.625 1.075 1
1 498 . 20 1 1 A 38 38 LYS CB C 38 32.500 32.463 0.037 1
1 502 . 20 1 1 A 38 38 LYS N N 38 119.300 116.886 2.414 1
1 503 . 20 1 1 A 39 39 TRP HA H 39 5.000 4.904 0.096 1
1 512 . 20 1 1 A 39 39 TRP C C 39 176.100 175.726 0.374 1
1 513 . 20 1 1 A 39 39 TRP CA C 39 55.700 56.308 -0.608 1
1 514 . 20 1 1 A 39 39 TRP CB C 39 30.300 31.343 -1.043 1
1 521 . 20 1 1 A 40 40 TYR H H 40 9.270 8.873 0.397 1
1 522 . 20 1 1 A 40 40 TYR HA H 40 5.280 5.081 0.199 1
1 525 . 20 1 1 A 40 40 TYR C C 40 175.400 175.129 0.271 1
1 526 . 20 1 1 A 40 40 TYR CA C 40 55.700 55.669 0.031 1
1 527 . 20 1 1 A 40 40 TYR CB C 40 40.300 40.853 -0.553 1
1 528 . 20 1 1 A 40 40 TYR N N 40 114.000 120.379 -6.379 1
1 529 . 20 1 1 A 41 41 ALA H H 41 7.760 8.548 -0.788 1
1 530 . 20 1 1 A 41 41 ALA HA H 41 5.580 5.104 0.476 1
1 534 . 20 1 1 A 41 41 ALA C C 41 177.300 175.664 1.636 1
1 535 . 20 1 1 A 41 41 ALA CA C 41 52.900 51.792 1.108 1
1 536 . 20 1 1 A 41 41 ALA CB C 41 21.900 20.210 1.690 1
1 537 . 20 1 1 A 41 41 ALA N N 41 121.500 123.499 -1.999 1
1 538 . 20 1 1 A 42 42 LEU H H 42 8.300 8.890 -0.590 1
1 539 . 20 1 1 A 42 42 LEU HA H 42 5.200 5.752 -0.552 1
1 549 . 20 1 1 A 42 42 LEU C C 42 173.300 174.650 -1.350 1
1 550 . 20 1 1 A 42 42 LEU CA C 42 54.100 52.790 1.310 1
1 551 . 20 1 1 A 42 42 LEU CB C 42 45.900 46.440 -0.540 1
1 555 . 20 1 1 A 42 42 LEU N N 42 123.700 120.336 3.364 1
1 556 . 20 1 1 A 43 43 LEU H H 43 9.700 8.811 0.889 1
1 557 . 20 1 1 A 43 43 LEU HA H 43 5.250 5.457 -0.207 1
1 567 . 20 1 1 A 43 43 LEU C C 43 173.300 175.241 -1.941 1
1 568 . 20 1 1 A 43 43 LEU CA C 43 54.000 53.338 0.662 1
1 569 . 20 1 1 A 43 43 LEU CB C 43 46.000 45.196 0.804 1
1 573 . 20 1 1 A 43 43 LEU N N 43 130.400 122.244 8.156 1
1 574 . 20 1 1 A 44 44 MET H H 44 8.800 8.425 0.375 1
1 575 . 20 1 1 A 44 44 MET HA H 44 4.420 4.758 -0.338 1
1 583 . 20 1 1 A 44 44 MET C C 44 172.500 173.976 -1.476 1
1 584 . 20 1 1 A 44 44 MET CA C 44 55.000 53.616 1.384 1
1 585 . 20 1 1 A 44 44 MET CB C 44 39.100 34.895 4.205 1
1 588 . 20 1 1 A 44 44 MET N N 44 122.800 122.606 0.194 1
1 589 . 20 1 1 A 45 45 ASP H H 45 7.960 8.465 -0.505 1
1 590 . 20 1 1 A 45 45 ASP HA H 45 5.490 5.270 0.220 1
1 593 . 20 1 1 A 45 45 ASP C C 45 175.200 175.388 -0.188 1
1 594 . 20 1 1 A 45 45 ASP CA C 45 51.900 53.013 -1.113 1
1 595 . 20 1 1 A 45 45 ASP CB C 45 40.800 42.528 -1.728 1
1 596 . 20 1 1 A 45 45 ASP N N 45 119.400 118.727 0.673 1
1 597 . 20 1 1 A 46 46 ILE H H 46 8.800 8.487 0.313 1
1 598 . 20 1 1 A 46 46 ILE HA H 46 4.870 4.751 0.119 1
1 608 . 20 1 1 A 46 46 ILE CA C 46 57.700 57.214 0.486 1
1 609 . 20 1 1 A 46 46 ILE CB C 46 40.100 41.224 -1.124 1
1 613 . 20 1 1 A 46 46 ILE N N 46 117.400 117.699 -0.299 1
1 614 . 20 1 1 A 47 47 PRO HA H 47 4.420 4.517 -0.097 1
1 621 . 20 1 1 A 47 47 PRO C C 47 177.800 177.418 0.382 1
1 622 . 20 1 1 A 47 47 PRO CA C 47 63.000 62.820 0.180 1
1 623 . 20 1 1 A 47 47 PRO CB C 47 31.900 32.769 -0.869 1
1 626 . 20 1 1 A 48 48 ALA H H 48 8.550 8.585 -0.035 1
1 627 . 20 1 1 A 48 48 ALA HA H 48 3.550 4.005 -0.455 1
1 631 . 20 1 1 A 48 48 ALA C C 48 179.200 179.708 -0.508 1
1 632 . 20 1 1 A 48 48 ALA CA C 48 55.200 54.730 0.470 1
1 633 . 20 1 1 A 48 48 ALA CB C 48 17.700 18.154 -0.454 1
1 634 . 20 1 1 A 48 48 ALA N N 48 130.100 127.292 2.808 1
1 635 . 20 1 1 A 49 49 GLU H H 49 8.700 8.575 0.125 1
1 636 . 20 1 1 A 49 49 GLU HA H 49 4.180 4.330 -0.150 1
1 641 . 20 1 1 A 49 49 GLU C C 49 179.800 177.786 2.014 1
1 642 . 20 1 1 A 49 49 GLU CA C 49 58.200 58.599 -0.399 1
1 643 . 20 1 1 A 49 49 GLU CB C 49 28.200 28.298 -0.098 1
1 645 . 20 1 1 A 49 49 GLU N N 49 114.900 116.752 -1.852 1
1 646 . 20 1 1 A 50 50 LYS H H 50 7.910 7.612 0.298 1
1 647 . 20 1 1 A 50 50 LYS HA H 50 4.060 4.058 0.002 1
1 656 . 20 1 1 A 50 50 LYS C C 50 178.100 178.094 0.006 1
1 657 . 20 1 1 A 50 50 LYS CA C 50 56.900 57.857 -0.957 1
1 658 . 20 1 1 A 50 50 LYS CB C 50 31.700 32.312 -0.612 1
1 662 . 20 1 1 A 50 50 LYS N N 50 118.100 117.948 0.152 1
1 663 . 20 1 1 A 51 51 ILE H H 51 7.190 7.615 -0.425 1
1 664 . 20 1 1 A 51 51 ILE HA H 51 4.490 4.165 0.325 1
1 674 . 20 1 1 A 51 51 ILE C C 51 175.300 176.736 -1.436 1
1 675 . 20 1 1 A 51 51 ILE CA C 51 60.100 60.253 -0.153 1
1 676 . 20 1 1 A 51 51 ILE CB C 51 37.400 37.008 0.392 1
1 680 . 20 1 1 A 51 51 ILE N N 51 109.000 112.583 -3.583 1
1 681 . 20 1 1 A 52 52 GLY H H 52 7.370 8.104 -0.734 1
1 682 . 20 1 1 A 52 52 GLY HA2 H 52 4.050 3.957 0.093 1
1 683 . 20 1 1 A 52 52 GLY HA3 H 52 3.730 3.974 -0.244 1
1 684 . 20 1 1 A 52 52 GLY C C 52 174.200 174.059 0.141 1
1 685 . 20 1 1 A 52 52 GLY CA C 52 46.100 45.139 0.961 1
1 686 . 20 1 1 A 52 52 GLY N N 52 106.900 110.580 -3.680 1
1 687 . 20 1 1 A 53 53 ILE H H 53 7.260 7.119 0.141 1
1 688 . 20 1 1 A 53 53 ILE HA H 53 4.040 4.093 -0.053 1
1 698 . 20 1 1 A 53 53 ILE C C 53 174.700 176.193 -1.493 1
1 699 . 20 1 1 A 53 53 ILE CA C 53 60.500 60.760 -0.260 1
1 700 . 20 1 1 A 53 53 ILE CB C 53 38.700 36.706 1.994 1
1 704 . 20 1 1 A 53 53 ILE N N 53 121.900 122.305 -0.405 1
1 705 . 20 1 1 A 54 54 ASN H H 54 8.280 8.737 -0.457 1
1 706 . 20 1 1 A 54 54 ASN HA H 54 4.540 4.419 0.121 1
1 711 . 20 1 1 A 54 54 ASN C C 54 175.400 176.957 -1.557 1
1 712 . 20 1 1 A 54 54 ASN CA C 54 53.700 55.850 -2.150 1
1 713 . 20 1 1 A 54 54 ASN CB C 54 39.000 38.173 0.827 1
1 715 . 20 1 1 A 54 54 ASN N N 54 123.300 124.164 -0.864 1
1 717 . 20 1 1 A 55 55 GLY H H 55 8.240 8.066 0.174 1
1 718 . 20 1 1 A 55 55 GLY HA2 H 55 4.230 3.868 0.362 1
1 719 . 20 1 1 A 55 55 GLY HA3 H 55 3.740 3.871 -0.131 1
1 720 . 20 1 1 A 55 55 GLY C C 55 173.200 174.516 -1.316 1
1 721 . 20 1 1 A 55 55 GLY CA C 55 44.800 45.617 -0.817 1
1 722 . 20 1 1 A 55 55 GLY N N 55 110.200 106.610 3.590 1
1 723 . 20 1 1 A 56 56 ASP H H 56 8.320 8.923 -0.603 1
1 724 . 20 1 1 A 56 56 ASP HA H 56 4.700 4.602 0.098 1
1 727 . 20 1 1 A 56 56 ASP C C 56 175.800 176.599 -0.799 1
1 728 . 20 1 1 A 56 56 ASP CA C 56 53.400 53.760 -0.360 1
1 729 . 20 1 1 A 56 56 ASP CB C 56 40.500 40.351 0.149 1
1 730 . 20 1 1 A 56 56 ASP N N 56 119.000 120.817 -1.817 1
1 731 . 20 1 1 A 57 57 LYS H H 57 7.780 7.334 0.446 1
1 732 . 20 1 1 A 57 57 LYS HA H 57 4.400 4.369 0.031 1
1 741 . 20 1 1 A 57 57 LYS C C 57 175.700 176.228 -0.528 1
1 742 . 20 1 1 A 57 57 LYS CA C 57 55.600 56.501 -0.901 1
1 743 . 20 1 1 A 57 57 LYS CB C 57 33.700 32.777 0.923 1
1 747 . 20 1 1 A 57 57 LYS N N 57 119.500 119.222 0.278 1
1 748 . 20 1 1 A 58 58 ARG H H 58 8.410 8.263 0.147 1
1 749 . 20 1 1 A 58 58 ARG HA H 58 4.740 4.645 0.095 1
1 757 . 20 1 1 A 58 58 ARG C C 58 176.200 175.960 0.240 1
1 758 . 20 1 1 A 58 58 ARG CA C 58 55.300 55.808 -0.508 1
1 759 . 20 1 1 A 58 58 ARG CB C 58 31.700 30.793 0.907 1
1 763 . 20 1 1 A 58 58 ARG N N 58 120.900 120.833 0.067 1
1 765 . 20 1 1 A 59 59 VAL H H 59 9.030 8.802 0.228 1
1 766 . 20 1 1 A 59 59 VAL HA H 59 4.570 4.895 -0.325 1
1 774 . 20 1 1 A 59 59 VAL C C 59 173.900 174.175 -0.275 1
1 775 . 20 1 1 A 59 59 VAL CA C 59 58.700 58.401 0.299 1
1 776 . 20 1 1 A 59 59 VAL CB C 59 34.700 35.616 -0.916 1
1 779 . 20 1 1 A 59 59 VAL N N 59 115.600 116.831 -1.231 1
1 780 . 20 1 1 A 60 60 ASP H H 60 8.290 8.483 -0.193 1
1 781 . 20 1 1 A 60 60 ASP HA H 60 5.560 5.138 0.422 1
1 784 . 20 1 1 A 60 60 ASP C C 60 175.800 175.831 -0.031 1
1 785 . 20 1 1 A 60 60 ASP CA C 60 53.600 53.907 -0.307 1
1 786 . 20 1 1 A 60 60 ASP CB C 60 43.100 42.035 1.065 1
1 787 . 20 1 1 A 60 60 ASP N N 60 120.700 121.222 -0.522 1
1 788 . 20 1 1 A 61 61 VAL H H 61 9.080 8.600 0.480 1
1 789 . 20 1 1 A 61 61 VAL HA H 61 5.150 5.252 -0.102 1
1 797 . 20 1 1 A 61 61 VAL C C 61 173.800 174.315 -0.515 1
1 798 . 20 1 1 A 61 61 VAL CA C 61 57.600 59.172 -1.572 1
1 799 . 20 1 1 A 61 61 VAL CB C 61 35.500 35.820 -0.320 1
1 802 . 20 1 1 A 61 61 VAL N N 61 115.200 117.525 -2.325 1
1 803 . 20 1 1 A 62 62 ILE H H 62 8.530 8.391 0.139 1
1 804 . 20 1 1 A 62 62 ILE HA H 62 5.550 5.114 0.436 1
1 814 . 20 1 1 A 62 62 ILE CA C 62 57.800 58.641 -0.841 1
1 815 . 20 1 1 A 62 62 ILE CB C 62 41.700 41.754 -0.054 1
1 819 . 20 1 1 A 62 62 ILE N N 62 112.000 119.282 -7.282 1
1 820 . 20 1 1 A 64 64 LEU HA H 64 4.960 5.033 -0.073 1
1 830 . 20 1 1 A 64 64 LEU C C 64 173.100 174.393 -1.293 1
1 831 . 20 1 1 A 64 64 LEU CA C 64 53.500 54.071 -0.571 1
1 832 . 20 1 1 A 64 64 LEU CB C 64 47.000 46.105 0.895 1
1 836 . 20 1 1 A 65 65 LYS H H 65 8.470 9.006 -0.536 1
1 837 . 20 1 1 A 65 65 LYS HA H 65 3.760 5.072 -1.312 1
1 846 . 20 1 1 A 65 65 LYS C C 65 175.100 176.400 -1.300 1
1 847 . 20 1 1 A 65 65 LYS CA C 65 55.700 56.417 -0.717 1
1 848 . 20 1 1 A 65 65 LYS CB C 65 33.600 33.548 0.052 1
1 852 . 20 1 1 A 65 65 LYS N N 65 126.700 128.798 -2.098 1
1 853 . 20 1 1 A 66 66 VAL H H 66 7.840 8.701 -0.861 1
1 854 . 20 1 1 A 66 66 VAL HA H 66 4.410 4.891 -0.481 1
1 862 . 20 1 1 A 66 66 VAL C C 66 175.300 174.639 0.661 1
1 863 . 20 1 1 A 66 66 VAL CA C 66 58.300 58.909 -0.609 1
1 864 . 20 1 1 A 66 66 VAL CB C 66 36.400 36.038 0.362 1
1 867 . 20 1 1 A 66 66 VAL N N 66 116.000 119.211 -3.211 1
1 868 . 20 1 1 A 67 67 GLN H H 67 8.620 8.632 -0.012 1
1 869 . 20 1 1 A 67 67 GLN HA H 67 4.350 4.617 -0.267 1
1 876 . 20 1 1 A 67 67 GLN CA C 67 54.900 53.964 0.936 1
1 877 . 20 1 1 A 67 67 GLN CB C 67 27.600 28.305 -0.705 1
1 880 . 20 1 1 A 67 67 GLN N N 67 123.000 121.065 1.935 1
1 882 . 20 1 1 A 68 68 PRO HA H 68 4.200 4.242 -0.042 1
1 889 . 20 1 1 A 68 68 PRO C C 68 179.400 177.053 2.347 1
1 890 . 20 1 1 A 68 68 PRO CA C 68 65.100 65.041 0.059 1
1 891 . 20 1 1 A 68 68 PRO CB C 68 31.700 31.768 -0.068 1
1 894 . 20 1 1 A 69 69 GLU H H 69 9.620 8.820 0.800 1
1 895 . 20 1 1 A 69 69 GLU HA H 69 4.190 4.207 -0.017 1
1 900 . 20 1 1 A 69 69 GLU C C 69 177.100 177.424 -0.324 1
1 901 . 20 1 1 A 69 69 GLU CA C 69 58.600 58.146 0.454 1
1 902 . 20 1 1 A 69 69 GLU CB C 69 28.100 29.921 -1.821 1
1 904 . 20 1 1 A 69 69 GLU N N 69 116.900 115.384 1.516 1
1 905 . 20 1 1 A 70 70 LEU H H 70 7.940 7.768 0.172 1
1 906 . 20 1 1 A 70 70 LEU HA H 70 4.460 4.302 0.158 1
1 916 . 20 1 1 A 70 70 LEU C C 70 177.600 178.460 -0.860 1
1 917 . 20 1 1 A 70 70 LEU CA C 70 54.500 55.290 -0.790 1
1 918 . 20 1 1 A 70 70 LEU CB C 70 42.800 42.234 0.566 1
1 922 . 20 1 1 A 70 70 LEU N N 70 118.700 120.085 -1.385 1
1 923 . 20 1 1 A 71 71 VAL H H 71 7.080 7.854 -0.774 1
1 924 . 20 1 1 A 71 71 VAL HA H 71 3.210 3.757 -0.547 1
1 932 . 20 1 1 A 71 71 VAL C C 71 176.800 177.801 -1.001 1
1 933 . 20 1 1 A 71 71 VAL CA C 71 67.700 65.977 1.723 1
1 934 . 20 1 1 A 71 71 VAL CB C 71 32.000 31.219 0.781 1
1 937 . 20 1 1 A 71 71 VAL N N 71 120.300 119.892 0.408 1
1 938 . 20 1 1 A 72 72 GLY H H 72 8.540 8.215 0.325 1
1 939 . 20 1 1 A 72 72 GLY HA2 H 72 3.770 3.801 -0.031 1
1 940 . 20 1 1 A 72 72 GLY HA3 H 72 3.630 3.804 -0.174 1
1 941 . 20 1 1 A 72 72 GLY C C 72 176.300 176.687 -0.387 1
1 942 . 20 1 1 A 72 72 GLY CA C 72 47.000 47.486 -0.486 1
1 943 . 20 1 1 A 72 72 GLY N N 72 105.300 109.172 -3.872 1
1 944 . 20 1 1 A 73 73 SER H H 73 7.870 8.078 -0.208 1
1 945 . 20 1 1 A 73 73 SER HA H 73 4.170 4.108 0.062 1
1 948 . 20 1 1 A 73 73 SER C C 73 178.000 176.073 1.927 1
1 949 . 20 1 1 A 73 73 SER CA C 73 60.600 62.721 -2.121 1
1 950 . 20 1 1 A 73 73 SER CB C 73 62.700 62.872 -0.172 1
1 951 . 20 1 1 A 73 73 SER N N 73 115.700 119.515 -3.815 1
1 952 . 20 1 1 A 74 74 LEU H H 74 8.340 7.643 0.697 1
1 953 . 20 1 1 A 74 74 LEU HA H 74 4.000 4.112 -0.112 1
1 963 . 20 1 1 A 74 74 LEU C C 74 178.400 178.357 0.043 1
1 964 . 20 1 1 A 74 74 LEU CA C 74 57.900 57.005 0.895 1
1 965 . 20 1 1 A 74 74 LEU CB C 74 41.700 41.870 -0.170 1
1 969 . 20 1 1 A 74 74 LEU N N 74 124.600 121.883 2.717 1
1 970 . 20 1 1 A 75 75 ARG H H 75 7.850 8.482 -0.632 1
1 971 . 20 1 1 A 75 75 ARG HA H 75 3.750 3.984 -0.234 1
1 979 . 20 1 1 A 75 75 ARG C C 75 176.500 178.971 -2.471 1
1 980 . 20 1 1 A 75 75 ARG CA C 75 57.800 58.552 -0.752 1
1 981 . 20 1 1 A 75 75 ARG CB C 75 29.500 29.870 -0.370 1
1 985 . 20 1 1 A 75 75 ARG N N 75 113.300 119.258 -5.958 1
1 987 . 20 1 1 A 76 76 LYS H H 76 7.100 9.046 -1.946 1
1 988 . 20 1 1 A 76 76 LYS HA H 76 4.210 4.108 0.102 1
1 997 . 20 1 1 A 76 76 LYS C C 76 177.000 176.446 0.554 1
1 998 . 20 1 1 A 76 76 LYS CA C 76 56.500 58.294 -1.794 1
1 999 . 20 1 1 A 76 76 LYS CB C 76 32.700 31.624 1.076 1
1 1003 . 20 1 1 A 76 76 LYS N N 76 116.600 116.645 -0.045 1
1 1004 . 20 1 1 A 77 77 LYS H H 77 7.830 7.499 0.331 1
1 1005 . 20 1 1 A 77 77 LYS HA H 77 4.470 4.428 0.042 1
1 1014 . 20 1 1 A 77 77 LYS CA C 77 54.500 52.689 1.811 1
1 1015 . 20 1 1 A 77 77 LYS CB C 77 31.800 32.665 -0.865 1
1 1019 . 20 1 1 A 77 77 LYS N N 77 122.900 121.134 1.766 1
1 1020 . 20 1 1 A 78 78 PRO HA H 78 4.190 4.125 0.065 1
1 1027 . 20 1 1 A 78 78 PRO C C 78 176.600 177.138 -0.538 1
1 1028 . 20 1 1 A 78 78 PRO CA C 78 63.700 63.582 0.118 1
1 1029 . 20 1 1 A 78 78 PRO CB C 78 31.900 31.510 0.390 1
1 1032 . 20 1 1 A 79 79 GLY H H 79 8.290 8.650 -0.360 1
1 1033 . 20 1 1 A 79 79 GLY HA2 H 79 4.350 3.854 0.496 1
1 1034 . 20 1 1 A 79 79 GLY HA3 H 79 3.590 3.868 -0.278 1
1 1035 . 20 1 1 A 79 79 GLY C C 79 172.000 173.778 -1.778 1
1 1036 . 20 1 1 A 79 79 GLY CA C 79 45.500 45.249 0.251 1
1 1037 . 20 1 1 A 79 79 GLY N N 79 109.300 111.267 -1.967 1
1 1038 . 20 1 1 A 80 80 ILE H H 80 7.300 7.521 -0.221 1
1 1039 . 20 1 1 A 80 80 ILE HA H 80 4.770 4.243 0.527 1
1 1049 . 20 1 1 A 80 80 ILE C C 80 174.200 174.827 -0.627 1
1 1050 . 20 1 1 A 80 80 ILE CA C 80 60.500 60.691 -0.191 1
1 1051 . 20 1 1 A 80 80 ILE CB C 80 37.000 39.228 -2.228 1
1 1055 . 20 1 1 A 80 80 ILE N N 80 119.200 122.213 -3.013 1
1 1056 . 20 1 1 A 81 81 TYR H H 81 9.490 8.584 0.906 1
1 1057 . 20 1 1 A 81 81 TYR HA H 81 4.840 4.936 -0.096 1
1 1064 . 20 1 1 A 81 81 TYR CA C 81 56.800 55.740 1.060 1
1 1065 . 20 1 1 A 81 81 TYR CB C 81 39.800 39.680 0.120 1
1 1070 . 20 1 1 A 81 81 TYR N N 81 126.100 127.543 -1.443 1
1 1071 . 20 1 1 A 82 82 PRO HA H 82 4.610 4.461 0.149 1
1 1078 . 20 1 1 A 82 82 PRO CA C 82 62.300 62.960 -0.660 1
1 1079 . 20 1 1 A 82 82 PRO CB C 82 32.000 32.017 -0.017 1
1 1082 . 20 1 1 A 83 83 ALA HA H 83 4.140 3.991 0.149 1
1 1086 . 20 1 1 A 84 84 TYR HA H 84 4.470 4.832 -0.362 1
1 1093 . 20 1 1 A 84 84 TYR CA C 84 57.500 57.745 -0.245 1
1 1094 . 20 1 1 A 84 84 TYR CB C 84 39.500 39.416 0.084 1
1 1099 . 20 1 1 A 87 87 ASN HA H 87 4.410 4.362 0.048 1
1 1104 . 20 1 1 A 87 87 ASN C C 87 176.500 175.663 0.837 1
1 1105 . 20 1 1 A 87 87 ASN CA C 87 55.100 56.068 -0.968 1
1 1106 . 20 1 1 A 87 87 ASN CB C 87 40.600 38.254 2.346 1
1 1109 . 20 1 1 A 88 88 LYS H H 88 8.710 7.981 0.729 1
1 1110 . 20 1 1 A 88 88 LYS HA H 88 4.320 4.135 0.185 1
1 1119 . 20 1 1 A 88 88 LYS C C 88 177.600 176.975 0.625 1
1 1120 . 20 1 1 A 88 88 LYS CA C 88 58.100 58.954 -0.854 1
1 1121 . 20 1 1 A 88 88 LYS CB C 88 33.000 31.991 1.009 1
1 1125 . 20 1 1 A 88 88 LYS N N 88 123.800 118.615 5.185 1
1 1126 . 20 1 1 A 89 89 GLU H H 89 8.390 8.881 -0.491 1
1 1127 . 20 1 1 A 89 89 GLU HA H 89 4.270 3.954 0.316 1
1 1132 . 20 1 1 A 89 89 GLU C C 89 176.500 179.327 -2.827 1
1 1133 . 20 1 1 A 89 89 GLU CA C 89 57.800 58.921 -1.121 1
1 1134 . 20 1 1 A 89 89 GLU CB C 89 30.100 29.245 0.855 1
1 1136 . 20 1 1 A 89 89 GLU N N 89 117.000 117.478 -0.478 1
1 1137 . 20 1 1 A 90 90 HIS H H 90 7.600 7.244 0.356 1
1 1138 . 20 1 1 A 90 90 HIS HA H 90 4.580 3.948 0.632 1
1 1142 . 20 1 1 A 90 90 HIS C C 90 170.800 174.697 -3.897 1
1 1143 . 20 1 1 A 90 90 HIS CA C 90 55.500 58.118 -2.618 1
1 1144 . 20 1 1 A 90 90 HIS CB C 90 32.200 28.611 3.589 1
1 1145 . 20 1 1 A 90 90 HIS N N 90 111.500 116.956 -5.456 1
1 1146 . 20 1 1 A 91 91 TRP H H 91 7.650 7.153 0.497 1
1 1147 . 20 1 1 A 91 91 TRP HA H 91 5.610 5.609 0.001 1
1 1156 . 20 1 1 A 91 91 TRP C C 91 174.600 175.453 -0.853 1
1 1157 . 20 1 1 A 91 91 TRP CA C 91 55.500 55.899 -0.399 1
1 1158 . 20 1 1 A 91 91 TRP CB C 91 31.700 32.721 -1.021 1
1 1163 . 20 1 1 A 91 91 TRP N N 91 117.400 115.595 1.805 1
1 1165 . 20 1 1 A 92 92 ILE H H 92 9.100 9.147 -0.047 1
1 1166 . 20 1 1 A 92 92 ILE HA H 92 4.630 4.851 -0.221 1
1 1176 . 20 1 1 A 92 92 ILE C C 92 174.500 175.061 -0.561 1
1 1177 . 20 1 1 A 92 92 ILE CA C 92 59.800 59.794 0.006 1
1 1178 . 20 1 1 A 92 92 ILE CB C 92 42.500 42.181 0.319 1
1 1182 . 20 1 1 A 92 92 ILE N N 92 111.700 120.689 -8.989 1
1 1183 . 20 1 1 A 93 93 THR H H 93 8.570 8.299 0.271 1
1 1184 . 20 1 1 A 93 93 THR HA H 93 4.250 4.924 -0.674 1
1 1190 . 20 1 1 A 93 93 THR CA C 93 61.800 60.666 1.134 1
1 1191 . 20 1 1 A 93 93 THR CB C 93 70.200 70.113 0.087 1
1 1193 . 20 1 1 A 93 93 THR N N 93 117.600 118.012 -0.412 1
1 1194 . 20 1 1 A 94 94 VAL HA H 94 4.680 4.768 -0.088 1
1 1202 . 20 1 1 A 94 94 VAL C C 94 175.400 174.745 0.655 1
1 1203 . 20 1 1 A 94 94 VAL CA C 94 60.700 60.905 -0.205 1
1 1204 . 20 1 1 A 94 94 VAL CB C 94 34.100 34.301 -0.201 1
1 1207 . 20 1 1 A 95 95 LEU H H 95 8.080 8.517 -0.437 1
1 1208 . 20 1 1 A 95 95 LEU HA H 95 4.330 4.576 -0.246 1
1 1218 . 20 1 1 A 95 95 LEU C C 95 176.400 176.250 0.150 1
1 1219 . 20 1 1 A 95 95 LEU CA C 95 55.000 54.423 0.577 1
1 1220 . 20 1 1 A 95 95 LEU CB C 95 44.300 42.033 2.267 1
1 1224 . 20 1 1 A 95 95 LEU N N 95 127.500 127.855 -0.355 1
1 1225 . 20 1 1 A 96 96 LEU H H 96 8.050 8.294 -0.244 1
1 1226 . 20 1 1 A 96 96 LEU HA H 96 4.150 4.002 0.148 1
1 1236 . 20 1 1 A 96 96 LEU C C 96 177.400 178.084 -0.684 1
1 1237 . 20 1 1 A 96 96 LEU CA C 96 56.500 58.142 -1.642 1
1 1238 . 20 1 1 A 96 96 LEU CB C 96 40.500 41.515 -1.015 1
1 1242 . 20 1 1 A 96 96 LEU N N 96 128.100 127.008 1.092 1
1 1243 . 20 1 1 A 97 97 ASN H H 97 8.690 7.936 0.754 1
1 1244 . 20 1 1 A 97 97 ASN HA H 97 4.740 4.672 0.068 1
1 1249 . 20 1 1 A 97 97 ASN C C 97 174.900 176.690 -1.790 1
1 1250 . 20 1 1 A 97 97 ASN CA C 97 53.000 55.106 -2.106 1
1 1251 . 20 1 1 A 97 97 ASN CB C 97 37.700 38.749 -1.049 1
1 1252 . 20 1 1 A 97 97 ASN N N 97 117.200 116.086 1.114 1
1 1254 . 20 1 1 A 98 98 GLY H H 98 7.820 8.027 -0.207 1
1 1255 . 20 1 1 A 98 98 GLY HA2 H 98 4.470 4.117 0.353 1
1 1256 . 20 1 1 A 98 98 GLY HA3 H 98 3.740 4.118 -0.378 1
1 1257 . 20 1 1 A 98 98 GLY C C 98 174.900 174.783 0.117 1
1 1258 . 20 1 1 A 98 98 GLY CA C 98 44.900 44.349 0.551 1
1 1259 . 20 1 1 A 98 98 GLY N N 98 108.600 107.845 0.755 1
1 1260 . 20 1 1 A 99 99 PRO HA H 99 4.380 4.287 0.093 1
1 1267 . 20 1 1 A 99 99 PRO C C 99 177.400 178.634 -1.234 1
1 1268 . 20 1 1 A 99 99 PRO CA C 99 63.900 66.156 -2.256 1
1 1269 . 20 1 1 A 99 99 PRO CB C 99 32.400 31.288 1.112 1
1 1272 . 20 1 1 A 100 100 LEU H H 100 7.750 8.297 -0.547 1
1 1273 . 20 1 1 A 100 100 LEU HA H 100 4.280 4.184 0.096 1
1 1283 . 20 1 1 A 100 100 LEU C C 100 177.400 175.720 1.680 1
1 1284 . 20 1 1 A 100 100 LEU CA C 100 55.800 56.711 -0.911 1
1 1285 . 20 1 1 A 100 100 LEU CB C 100 42.600 41.528 1.072 1
1 1289 . 20 1 1 A 100 100 LEU N N 100 120.300 116.767 3.533 1
1 1290 . 20 1 1 A 101 101 GLY H H 101 8.620 7.590 1.030 1
1 1291 . 20 1 1 A 101 101 GLY HA2 H 101 4.110 4.098 0.012 1
1 1292 . 20 1 1 A 101 101 GLY HA3 H 101 3.890 4.106 -0.216 1
1 1293 . 20 1 1 A 101 101 GLY C C 101 173.600 174.399 -0.799 1
1 1294 . 20 1 1 A 101 101 GLY CA C 101 44.300 45.677 -1.377 1
1 1295 . 20 1 1 A 101 101 GLY N N 101 110.600 108.902 1.698 1
1 1296 . 20 1 1 A 102 102 ALA H H 102 8.310 8.894 -0.584 1
1 1297 . 20 1 1 A 102 102 ALA HA H 102 3.520 3.873 -0.353 1
1 1301 . 20 1 1 A 102 102 ALA C C 102 178.900 179.695 -0.795 1
1 1302 . 20 1 1 A 102 102 ALA CA C 102 55.400 54.663 0.737 1
1 1303 . 20 1 1 A 102 102 ALA CB C 102 18.600 18.074 0.526 1
1 1304 . 20 1 1 A 102 102 ALA N N 102 122.000 123.748 -1.748 1
1 1305 . 20 1 1 A 103 103 LYS H H 103 8.360 7.793 0.567 1
1 1306 . 20 1 1 A 103 103 LYS HA H 103 3.730 3.762 -0.032 1
1 1315 . 20 1 1 A 103 103 LYS C C 103 179.400 178.763 0.637 1
1 1316 . 20 1 1 A 103 103 LYS CA C 103 60.000 59.118 0.882 1
1 1317 . 20 1 1 A 103 103 LYS CB C 103 31.900 31.958 -0.058 1
1 1321 . 20 1 1 A 103 103 LYS N N 103 116.500 116.139 0.361 1
1 1322 . 20 1 1 A 104 104 GLU H H 104 7.890 7.779 0.111 1
1 1323 . 20 1 1 A 104 104 GLU HA H 104 4.080 4.162 -0.082 1
1 1328 . 20 1 1 A 104 104 GLU C C 104 179.300 179.328 -0.028 1
1 1329 . 20 1 1 A 104 104 GLU CA C 104 59.500 58.944 0.556 1
1 1330 . 20 1 1 A 104 104 GLU CB C 104 29.100 29.517 -0.417 1
1 1332 . 20 1 1 A 104 104 GLU N N 104 120.000 118.687 1.313 1
1 1333 . 20 1 1 A 105 105 ILE H H 105 8.170 7.527 0.643 1
1 1334 . 20 1 1 A 105 105 ILE HA H 105 3.520 3.683 -0.163 1
1 1344 . 20 1 1 A 105 105 ILE C C 105 178.100 178.222 -0.122 1
1 1345 . 20 1 1 A 105 105 ILE CA C 105 66.700 65.347 1.353 1
1 1346 . 20 1 1 A 105 105 ILE CB C 105 37.700 37.686 0.014 1
1 1350 . 20 1 1 A 105 105 ILE N N 105 119.500 120.420 -0.920 1
1 1351 . 20 1 1 A 106 106 HIS H H 106 8.930 7.989 0.941 1
1 1352 . 20 1 1 A 106 106 HIS HA H 106 4.230 4.122 0.108 1
1 1356 . 20 1 1 A 106 106 HIS C C 106 178.000 177.750 0.250 1
1 1357 . 20 1 1 A 106 106 HIS CA C 106 57.600 59.827 -2.227 1
1 1358 . 20 1 1 A 106 106 HIS CB C 106 28.400 29.817 -1.417 1
1 1360 . 20 1 1 A 106 106 HIS N N 106 116.700 120.114 -3.414 1
1 1361 . 20 1 1 A 107 107 SER H H 107 8.060 7.938 0.122 1
1 1362 . 20 1 1 A 107 107 SER HA H 107 4.310 4.160 0.150 1
1 1365 . 20 1 1 A 107 107 SER C C 107 175.900 176.451 -0.551 1
1 1366 . 20 1 1 A 107 107 SER CA C 107 62.200 61.890 0.310 1
1 1367 . 20 1 1 A 107 107 SER CB C 107 62.500 62.977 -0.477 1
1 1368 . 20 1 1 A 107 107 SER N N 107 117.000 115.397 1.603 1
1 1369 . 20 1 1 A 108 108 LEU H H 108 7.950 8.190 -0.240 1
1 1370 . 20 1 1 A 108 108 LEU HA H 108 4.180 4.028 0.152 1
1 1380 . 20 1 1 A 108 108 LEU C C 108 180.600 179.021 1.579 1
1 1381 . 20 1 1 A 108 108 LEU CA C 108 57.900 58.023 -0.123 1
1 1382 . 20 1 1 A 108 108 LEU CB C 108 42.500 41.843 0.657 1
1 1386 . 20 1 1 A 108 108 LEU N N 108 121.800 120.460 1.340 1
1 1387 . 20 1 1 A 109 109 ILE H H 109 8.730 8.431 0.299 1
1 1388 . 20 1 1 A 109 109 ILE HA H 109 3.830 3.592 0.238 1
1 1398 . 20 1 1 A 109 109 ILE C C 109 176.800 178.171 -1.371 1
1 1399 . 20 1 1 A 109 109 ILE CA C 109 65.800 65.771 0.029 1
1 1400 . 20 1 1 A 109 109 ILE CB C 109 38.600 37.680 0.920 1
1 1404 . 20 1 1 A 109 109 ILE N N 109 120.200 119.873 0.327 1
1 1405 . 20 1 1 A 110 110 GLU H H 110 7.960 8.651 -0.691 1
1 1406 . 20 1 1 A 110 110 GLU HA H 110 4.280 3.926 0.354 1
1 1411 . 20 1 1 A 110 110 GLU C C 110 178.500 178.429 0.071 1
1 1412 . 20 1 1 A 110 110 GLU CA C 110 58.800 60.028 -1.228 1
1 1413 . 20 1 1 A 110 110 GLU CB C 110 28.200 29.331 -1.131 1
1 1415 . 20 1 1 A 110 110 GLU N N 110 120.800 121.350 -0.550 1
1 1416 . 20 1 1 A 111 111 ASP H H 111 8.290 8.205 0.085 1
1 1417 . 20 1 1 A 111 111 ASP HA H 111 4.470 4.444 0.026 1
1 1420 . 20 1 1 A 111 111 ASP C C 111 178.200 178.588 -0.388 1
1 1421 . 20 1 1 A 111 111 ASP CA C 111 57.100 57.586 -0.486 1
1 1422 . 20 1 1 A 111 111 ASP CB C 111 39.300 41.633 -2.333 1
1 1423 . 20 1 1 A 111 111 ASP N N 111 119.200 120.404 -1.204 1
1 1424 . 20 1 1 A 112 112 SER H H 112 7.800 8.236 -0.436 1
1 1425 . 20 1 1 A 112 112 SER HA H 112 4.200 4.241 -0.041 1
1 1428 . 20 1 1 A 112 112 SER C C 112 178.600 176.511 2.089 1
1 1429 . 20 1 1 A 112 112 SER CA C 112 61.200 61.384 -0.184 1
1 1430 . 20 1 1 A 112 112 SER CB C 112 64.200 62.498 1.702 1
1 1431 . 20 1 1 A 112 112 SER N N 112 114.700 115.687 -0.987 1
1 1432 . 20 1 1 A 113 113 PHE H H 113 9.160 8.481 0.679 1
1 1433 . 20 1 1 A 113 113 PHE HA H 113 3.210 4.232 -1.022 1
1 1436 . 20 1 1 A 113 113 PHE C C 113 178.100 177.995 0.105 1
1 1437 . 20 1 1 A 113 113 PHE CA C 113 62.900 61.448 1.452 1
1 1438 . 20 1 1 A 113 113 PHE CB C 113 39.100 39.325 -0.225 1
1 1439 . 20 1 1 A 113 113 PHE N N 113 121.400 123.985 -2.585 1
1 1440 . 20 1 1 A 114 114 GLN H H 114 8.870 7.896 0.974 1
1 1441 . 20 1 1 A 114 114 GLN HA H 114 4.000 3.821 0.179 1
1 1448 . 20 1 1 A 114 114 GLN C C 114 179.700 179.237 0.463 1
1 1449 . 20 1 1 A 114 114 GLN CA C 114 58.300 58.731 -0.431 1
1 1450 . 20 1 1 A 114 114 GLN CB C 114 27.600 28.040 -0.440 1
1 1453 . 20 1 1 A 114 114 GLN N N 114 116.800 118.184 -1.384 1
1 1455 . 20 1 1 A 115 115 LEU H H 115 8.570 7.789 0.781 1
1 1456 . 20 1 1 A 115 115 LEU HA H 115 4.090 3.966 0.124 1
1 1466 . 20 1 1 A 115 115 LEU C C 115 178.600 177.676 0.924 1
1 1467 . 20 1 1 A 115 115 LEU CA C 115 57.300 57.737 -0.437 1
1 1468 . 20 1 1 A 115 115 LEU CB C 115 43.200 41.795 1.405 1
1 1472 . 20 1 1 A 115 115 LEU N N 115 119.800 119.928 -0.128 1
1 1473 . 20 1 1 A 116 116 THR H H 116 7.240 7.421 -0.181 1
1 1474 . 20 1 1 A 116 116 THR HA H 116 4.270 2.279 1.991 1
1 1480 . 20 1 1 A 116 116 THR C C 116 173.200 173.921 -0.721 1
1 1481 . 20 1 1 A 116 116 THR CA C 116 60.700 61.211 -0.511 1
1 1482 . 20 1 1 A 116 116 THR CB C 116 70.800 68.099 2.701 1
1 1484 . 20 1 1 A 116 116 THR N N 116 104.900 108.636 -3.736 1
1 1485 . 20 1 1 A 117 117 ARG H H 117 6.840 7.139 -0.299 1
1 1486 . 20 1 1 A 117 117 ARG HA H 117 3.060 3.933 -0.873 1
1 1494 . 20 1 1 A 117 117 ARG C C 117 175.200 175.790 -0.590 1
1 1495 . 20 1 1 A 117 117 ARG CA C 117 55.900 54.682 1.218 1
1 1496 . 20 1 1 A 117 117 ARG CB C 117 31.100 28.492 2.608 1
1 1500 . 20 1 1 A 117 117 ARG N N 117 120.900 122.901 -2.001 1
1 1502 . 20 1 1 A 118 118 LEU H H 118 8.380 8.609 -0.229 1
1 1503 . 20 1 1 A 118 118 LEU HA H 118 4.100 4.377 -0.277 1
1 1513 . 20 1 1 A 118 118 LEU C C 118 176.500 177.187 -0.687 1
1 1514 . 20 1 1 A 118 118 LEU CA C 118 55.300 57.089 -1.789 1
1 1515 . 20 1 1 A 118 118 LEU CB C 118 42.400 40.802 1.598 1
1 1519 . 20 1 1 A 118 118 LEU N N 118 122.600 121.536 1.064 1
1 1520 . 20 1 1 A 119 119 GLU H H 119 8.330 8.730 -0.400 1
1 1521 . 20 1 1 A 119 119 GLU HA H 119 4.160 4.756 -0.596 1
1 1526 . 20 1 1 A 119 119 GLU C C 119 175.800 175.469 0.331 1
1 1527 . 20 1 1 A 119 119 GLU CA C 119 56.000 55.879 0.121 1
1 1528 . 20 1 1 A 119 119 GLU CB C 119 30.300 30.159 0.141 1
1 1530 . 20 1 1 A 119 119 GLU N N 119 124.000 121.651 2.349 1
1 1531 . 20 1 1 A 120 120 HIS H H 120 8.520 8.231 0.289 1
1 1532 . 20 1 1 A 120 120 HIS HA H 120 4.620 4.861 -0.241 1
1 1535 . 20 1 1 A 120 120 HIS C C 120 174.000 174.949 -0.949 1
1 1536 . 20 1 1 A 120 120 HIS CA C 120 55.300 53.540 1.760 1
1 1537 . 20 1 1 A 120 120 HIS CB C 120 29.300 29.540 -0.240 1
1 1538 . 20 1 1 A 120 120 HIS N N 120 120.100 118.920 1.180 1
1 1539 . 20 1 1 A 121 121 HIS H H 121 8.580 7.833 0.747 1
1 1540 . 20 1 1 A 121 121 HIS HA H 121 4.620 4.453 0.167 1
1 1543 . 20 1 1 A 121 121 HIS C C 121 173.500 176.280 -2.780 1
1 1544 . 20 1 1 A 121 121 HIS CA C 121 55.300 55.908 -0.608 1
1 1545 . 20 1 1 A 121 121 HIS CB C 121 29.200 30.917 -1.717 1
1 1546 . 20 1 1 A 121 121 HIS N N 121 120.800 121.610 -0.810 1
1 1547 . 20 1 1 A 122 122 HIS H H 122 8.400 8.996 -0.596 1
1 1548 . 20 1 1 A 122 122 HIS HA H 122 4.620 4.147 0.473 1
1 1551 . 20 1 1 A 122 122 HIS CA C 122 55.300 57.025 -1.725 1
1 1552 . 20 1 1 A 122 122 HIS CB C 122 29.200 29.312 -0.112 1
1 1553 . 20 1 1 A 122 122 HIS N N 122 125.700 121.592 4.108 1
1 1554 . 20 1 1 A 123 123 HIS H H 123 8.690 8.012 0.678 1
1 1555 . 20 1 1 A 123 123 HIS HA H 123 4.640 4.496 0.144 1
1 1558 . 20 1 1 A 123 123 HIS C C 123 174.100 175.155 -1.055 1
1 1559 . 20 1 1 A 123 123 HIS CA C 123 55.300 53.723 1.577 1
1 1560 . 20 1 1 A 123 123 HIS CB C 123 29.300 28.057 1.243 1
1 1561 . 20 1 1 A 123 123 HIS N N 123 120.200 119.055 1.145 1
1 1562 . 20 1 1 A 124 124 HIS H H 124 8.710 7.692 1.018 1
1 1563 . 20 1 1 A 124 124 HIS HA H 124 4.640 3.960 0.680 1
1 1566 . 20 1 1 A 124 124 HIS C C 124 174.200 177.317 -3.117 1
1 1567 . 20 1 1 A 124 124 HIS CA C 124 55.300 59.597 -4.297 1
1 1568 . 20 1 1 A 124 124 HIS CB C 124 29.300 30.064 -0.764 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 109 1.240 1
2 1 1 1 "RMS(OBS, PRED)" CA 119 1.043 1
3 1 1 1 "RMS(OBS, PRED)" CB 113 1.181 1
4 1 1 1 "RMS(OBS, PRED)" H 106 0.507 1
5 1 1 1 "RMS(OBS, PRED)" HA 126 0.344 1
6 1 1 1 "RMS(OBS, PRED)" N 105 2.862 1
7 1 2 1 "RMS(OBS, PRED)" C 109 1.200 1
8 1 2 1 "RMS(OBS, PRED)" CA 119 1.091 1
9 1 2 1 "RMS(OBS, PRED)" CB 113 1.281 1
10 1 2 1 "RMS(OBS, PRED)" H 106 0.523 1
11 1 2 1 "RMS(OBS, PRED)" HA 126 0.357 1
12 1 2 1 "RMS(OBS, PRED)" N 105 3.169 1
13 1 3 1 "RMS(OBS, PRED)" C 109 1.139 1
14 1 3 1 "RMS(OBS, PRED)" CA 119 0.999 1
15 1 3 1 "RMS(OBS, PRED)" CB 113 1.190 1
16 1 3 1 "RMS(OBS, PRED)" H 106 0.499 1
17 1 3 1 "RMS(OBS, PRED)" HA 126 0.348 1
18 1 3 1 "RMS(OBS, PRED)" N 105 3.076 1
19 1 4 1 "RMS(OBS, PRED)" C 109 1.241 1
20 1 4 1 "RMS(OBS, PRED)" CA 119 1.253 1
21 1 4 1 "RMS(OBS, PRED)" CB 113 1.175 1
22 1 4 1 "RMS(OBS, PRED)" H 106 0.485 1
23 1 4 1 "RMS(OBS, PRED)" HA 126 0.341 1
24 1 4 1 "RMS(OBS, PRED)" N 105 3.045 1
25 1 5 1 "RMS(OBS, PRED)" C 109 1.097 1
26 1 5 1 "RMS(OBS, PRED)" CA 119 1.057 1
27 1 5 1 "RMS(OBS, PRED)" CB 113 1.253 1
28 1 5 1 "RMS(OBS, PRED)" H 106 0.515 1
29 1 5 1 "RMS(OBS, PRED)" HA 126 0.372 1
30 1 5 1 "RMS(OBS, PRED)" N 105 3.211 1
31 1 6 1 "RMS(OBS, PRED)" C 109 1.195 1
32 1 6 1 "RMS(OBS, PRED)" CA 119 1.033 1
33 1 6 1 "RMS(OBS, PRED)" CB 113 1.308 1
34 1 6 1 "RMS(OBS, PRED)" H 106 0.560 1
35 1 6 1 "RMS(OBS, PRED)" HA 126 0.314 1
36 1 6 1 "RMS(OBS, PRED)" N 105 2.899 1
37 1 7 1 "RMS(OBS, PRED)" C 109 1.203 1
38 1 7 1 "RMS(OBS, PRED)" CA 119 1.036 1
39 1 7 1 "RMS(OBS, PRED)" CB 113 1.036 1
40 1 7 1 "RMS(OBS, PRED)" H 106 0.519 1
41 1 7 1 "RMS(OBS, PRED)" HA 126 0.327 1
42 1 7 1 "RMS(OBS, PRED)" N 105 2.913 1
43 1 8 1 "RMS(OBS, PRED)" C 109 1.215 1
44 1 8 1 "RMS(OBS, PRED)" CA 119 0.884 1
45 1 8 1 "RMS(OBS, PRED)" CB 113 1.198 1
46 1 8 1 "RMS(OBS, PRED)" H 106 0.500 1
47 1 8 1 "RMS(OBS, PRED)" HA 126 0.374 1
48 1 8 1 "RMS(OBS, PRED)" N 105 2.937 1
49 1 9 1 "RMS(OBS, PRED)" C 109 1.152 1
50 1 9 1 "RMS(OBS, PRED)" CA 119 1.106 1
51 1 9 1 "RMS(OBS, PRED)" CB 113 1.113 1
52 1 9 1 "RMS(OBS, PRED)" H 106 0.514 1
53 1 9 1 "RMS(OBS, PRED)" HA 126 0.353 1
54 1 9 1 "RMS(OBS, PRED)" N 105 3.041 1
55 1 10 1 "RMS(OBS, PRED)" C 109 1.124 1
56 1 10 1 "RMS(OBS, PRED)" CA 119 1.024 1
57 1 10 1 "RMS(OBS, PRED)" CB 113 1.222 1
58 1 10 1 "RMS(OBS, PRED)" H 106 0.582 1
59 1 10 1 "RMS(OBS, PRED)" HA 126 0.349 1
60 1 10 1 "RMS(OBS, PRED)" N 105 3.051 1
61 1 11 1 "RMS(OBS, PRED)" C 109 1.257 1
62 1 11 1 "RMS(OBS, PRED)" CA 119 1.155 1
63 1 11 1 "RMS(OBS, PRED)" CB 113 1.127 1
64 1 11 1 "RMS(OBS, PRED)" H 106 0.484 1
65 1 11 1 "RMS(OBS, PRED)" HA 126 0.333 1
66 1 11 1 "RMS(OBS, PRED)" N 105 3.318 1
67 1 12 1 "RMS(OBS, PRED)" C 109 1.123 1
68 1 12 1 "RMS(OBS, PRED)" CA 119 1.080 1
69 1 12 1 "RMS(OBS, PRED)" CB 113 1.289 1
70 1 12 1 "RMS(OBS, PRED)" H 106 0.546 1
71 1 12 1 "RMS(OBS, PRED)" HA 126 0.339 1
72 1 12 1 "RMS(OBS, PRED)" N 105 2.819 1
73 1 13 1 "RMS(OBS, PRED)" C 109 1.171 1
74 1 13 1 "RMS(OBS, PRED)" CA 119 1.115 1
75 1 13 1 "RMS(OBS, PRED)" CB 113 1.186 1
76 1 13 1 "RMS(OBS, PRED)" H 106 0.555 1
77 1 13 1 "RMS(OBS, PRED)" HA 126 0.344 1
78 1 13 1 "RMS(OBS, PRED)" N 105 3.003 1
79 1 14 1 "RMS(OBS, PRED)" C 109 1.254 1
80 1 14 1 "RMS(OBS, PRED)" CA 119 0.961 1
81 1 14 1 "RMS(OBS, PRED)" CB 113 1.082 1
82 1 14 1 "RMS(OBS, PRED)" H 106 0.513 1
83 1 14 1 "RMS(OBS, PRED)" HA 126 0.363 1
84 1 14 1 "RMS(OBS, PRED)" N 105 2.797 1
85 1 15 1 "RMS(OBS, PRED)" C 109 1.162 1
86 1 15 1 "RMS(OBS, PRED)" CA 119 0.994 1
87 1 15 1 "RMS(OBS, PRED)" CB 113 1.035 1
88 1 15 1 "RMS(OBS, PRED)" H 106 0.511 1
89 1 15 1 "RMS(OBS, PRED)" HA 126 0.310 1
90 1 15 1 "RMS(OBS, PRED)" N 105 3.247 1
91 1 16 1 "RMS(OBS, PRED)" C 109 1.205 1
92 1 16 1 "RMS(OBS, PRED)" CA 119 0.952 1
93 1 16 1 "RMS(OBS, PRED)" CB 113 1.185 1
94 1 16 1 "RMS(OBS, PRED)" H 106 0.472 1
95 1 16 1 "RMS(OBS, PRED)" HA 126 0.356 1
96 1 16 1 "RMS(OBS, PRED)" N 105 3.368 1
97 1 17 1 "RMS(OBS, PRED)" C 109 1.181 1
98 1 17 1 "RMS(OBS, PRED)" CA 119 1.093 1
99 1 17 1 "RMS(OBS, PRED)" CB 113 1.241 1
100 1 17 1 "RMS(OBS, PRED)" H 106 0.566 1
101 1 17 1 "RMS(OBS, PRED)" HA 126 0.361 1
102 1 17 1 "RMS(OBS, PRED)" N 105 3.222 1
103 1 18 1 "RMS(OBS, PRED)" C 109 1.223 1
104 1 18 1 "RMS(OBS, PRED)" CA 119 1.003 1
105 1 18 1 "RMS(OBS, PRED)" CB 113 1.218 1
106 1 18 1 "RMS(OBS, PRED)" H 106 0.520 1
107 1 18 1 "RMS(OBS, PRED)" HA 126 0.338 1
108 1 18 1 "RMS(OBS, PRED)" N 105 3.212 1
109 1 19 1 "RMS(OBS, PRED)" C 109 1.177 1
110 1 19 1 "RMS(OBS, PRED)" CA 119 1.015 1
111 1 19 1 "RMS(OBS, PRED)" CB 113 1.252 1
112 1 19 1 "RMS(OBS, PRED)" H 106 0.510 1
113 1 19 1 "RMS(OBS, PRED)" HA 126 0.308 1
114 1 19 1 "RMS(OBS, PRED)" N 105 3.047 1
115 1 20 1 "RMS(OBS, PRED)" C 109 1.247 1
116 1 20 1 "RMS(OBS, PRED)" CA 119 1.124 1
117 1 20 1 "RMS(OBS, PRED)" CB 113 1.230 1
118 1 20 1 "RMS(OBS, PRED)" H 106 0.579 1
119 1 20 1 "RMS(OBS, PRED)" HA 126 0.370 1
120 1 20 1 "RMS(OBS, PRED)" N 105 2.748 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 14 . 1 1 A 2 2 ASN H H 2 8.500 8.910 -0.410 2
1 15 . 1 1 A 2 2 ASN HA H 2 4.990 5.084 -0.094 2
1 20 . 1 1 A 2 2 ASN C C 2 175.600 176.582 -0.982 2
1 21 . 1 1 A 2 2 ASN CA C 2 51.000 52.137 -1.137 2
1 22 . 1 1 A 2 2 ASN CB C 2 40.000 40.168 -0.168 2
1 24 . 1 1 A 2 2 ASN N N 2 122.000 122.201 -0.201 2
1 26 . 1 1 A 3 3 ARG H H 3 8.950 9.009 -0.059 2
1 27 . 1 1 A 3 3 ARG HA H 3 3.850 4.021 -0.171 2
1 35 . 1 1 A 3 3 ARG C C 3 175.600 177.925 -2.325 2
1 36 . 1 1 A 3 3 ARG CA C 3 60.400 59.736 0.663 2
1 37 . 1 1 A 3 3 ARG CB C 3 30.900 30.013 0.887 2
1 41 . 1 1 A 3 3 ARG N N 3 117.600 123.517 -5.917 2
1 43 . 1 1 A 4 4 GLN H H 4 8.370 8.152 0.218 2
1 44 . 1 1 A 4 4 GLN HA H 4 3.900 4.108 -0.208 2
1 51 . 1 1 A 4 4 GLN C C 4 178.300 178.334 -0.034 2
1 52 . 1 1 A 4 4 GLN CA C 4 58.900 59.338 -0.438 2
1 53 . 1 1 A 4 4 GLN CB C 4 28.200 28.313 -0.113 2
1 56 . 1 1 A 4 4 GLN N N 4 120.700 118.805 1.895 2
1 58 . 1 1 A 5 5 GLN H H 5 8.670 8.218 0.452 2
1 59 . 1 1 A 5 5 GLN HA H 5 4.190 4.147 0.043 2
1 66 . 1 1 A 5 5 GLN C C 5 180.000 178.565 1.435 2
1 67 . 1 1 A 5 5 GLN CA C 5 58.500 59.004 -0.504 2
1 68 . 1 1 A 5 5 GLN CB C 5 28.900 28.392 0.508 2
1 71 . 1 1 A 5 5 GLN N N 5 117.700 118.590 -0.890 2
1 73 . 1 1 A 6 6 PHE H H 6 8.270 8.028 0.242 2
1 74 . 1 1 A 6 6 PHE HA H 6 4.130 4.213 -0.083 2
1 82 . 1 1 A 6 6 PHE C C 6 175.500 177.343 -1.843 2
1 83 . 1 1 A 6 6 PHE CA C 6 62.700 61.249 1.451 2
1 84 . 1 1 A 6 6 PHE CB C 6 39.000 39.288 -0.288 2
1 90 . 1 1 A 6 6 PHE N N 6 121.200 121.035 0.165 2
1 91 . 1 1 A 7 7 ILE H H 7 8.390 8.308 0.082 2
1 92 . 1 1 A 7 7 ILE HA H 7 3.280 3.585 -0.305 2
1 102 . 1 1 A 7 7 ILE C C 7 178.900 177.628 1.272 2
1 103 . 1 1 A 7 7 ILE CA C 7 66.400 65.449 0.951 2
1 104 . 1 1 A 7 7 ILE CB C 7 38.500 37.998 0.502 2
1 108 . 1 1 A 7 7 ILE N N 7 121.000 120.915 0.085 2
1 109 . 1 1 A 8 8 ASP H H 8 8.710 8.220 0.490 2
1 110 . 1 1 A 8 8 ASP HA H 8 4.370 4.317 0.053 2
1 113 . 1 1 A 8 8 ASP C C 8 178.000 178.165 -0.165 2
1 114 . 1 1 A 8 8 ASP CA C 8 57.300 57.391 -0.091 2
1 115 . 1 1 A 8 8 ASP CB C 8 40.600 40.411 0.189 2
1 116 . 1 1 A 8 8 ASP N N 8 119.800 119.963 -0.163 2
1 117 . 1 1 A 9 9 TYR H H 9 8.060 8.586 -0.526 2
1 118 . 1 1 A 9 9 TYR HA H 9 4.000 4.120 -0.120 2
1 125 . 1 1 A 9 9 TYR C C 9 176.500 177.604 -1.104 2
1 126 . 1 1 A 9 9 TYR CA C 9 61.700 61.794 -0.094 2
1 127 . 1 1 A 9 9 TYR CB C 9 38.600 38.480 0.120 2
1 132 . 1 1 A 9 9 TYR N N 9 121.600 122.108 -0.507 2
1 133 . 1 1 A 10 10 ALA H H 10 8.340 8.240 0.100 2
1 134 . 1 1 A 10 10 ALA HA H 10 3.730 3.935 -0.205 2
1 138 . 1 1 A 10 10 ALA C C 10 180.200 179.654 0.546 2
1 139 . 1 1 A 10 10 ALA CA C 10 55.200 55.047 0.153 2
1 140 . 1 1 A 10 10 ALA CB C 10 17.300 17.836 -0.536 2
1 141 . 1 1 A 10 10 ALA N N 10 120.700 121.725 -1.025 2
1 142 . 1 1 A 11 11 GLN H H 11 7.830 7.954 -0.124 2
1 143 . 1 1 A 11 11 GLN HA H 11 4.130 4.001 0.129 2
1 150 . 1 1 A 11 11 GLN C C 11 178.300 178.320 -0.020 2
1 151 . 1 1 A 11 11 GLN CA C 11 59.200 58.790 0.410 2
1 152 . 1 1 A 11 11 GLN CB C 11 28.600 28.306 0.294 2
1 155 . 1 1 A 11 11 GLN N N 11 116.600 117.481 -0.881 2
1 157 . 1 1 A 12 12 LYS H H 12 8.040 7.796 0.244 2
1 158 . 1 1 A 12 12 LYS HA H 12 3.890 3.933 -0.042 2
1 167 . 1 1 A 12 12 LYS C C 12 178.200 178.285 -0.085 2
1 168 . 1 1 A 12 12 LYS CA C 12 58.800 59.159 -0.359 2
1 169 . 1 1 A 12 12 LYS CB C 12 32.700 32.087 0.614 2
1 173 . 1 1 A 12 12 LYS N N 12 119.300 119.761 -0.461 2
1 174 . 1 1 A 13 13 LYS H H 13 8.440 7.478 0.962 2
1 175 . 1 1 A 13 13 LYS HA H 13 3.610 3.697 -0.087 2
1 184 . 1 1 A 13 13 LYS C C 13 177.600 176.904 0.696 2
1 185 . 1 1 A 13 13 LYS CA C 13 56.900 57.858 -0.958 2
1 186 . 1 1 A 13 13 LYS CB C 13 32.000 32.322 -0.322 2
1 190 . 1 1 A 13 13 LYS N N 13 117.700 118.283 -0.583 2
1 191 . 1 1 A 14 14 TYR H H 14 6.780 7.836 -1.056 2
1 192 . 1 1 A 14 14 TYR HA H 14 4.530 4.532 -0.003 2
1 199 . 1 1 A 14 14 TYR C C 14 175.800 174.662 1.138 2
1 200 . 1 1 A 14 14 TYR CA C 14 56.600 57.679 -1.079 2
1 201 . 1 1 A 14 14 TYR CB C 14 39.500 39.649 -0.149 2
1 206 . 1 1 A 14 14 TYR N N 14 113.100 114.720 -1.620 2
1 207 . 1 1 A 15 15 ASP H H 15 7.620 8.504 -0.884 2
1 208 . 1 1 A 15 15 ASP HA H 15 4.810 4.374 0.436 2
1 211 . 1 1 A 15 15 ASP C C 15 175.200 174.942 0.257 2
1 212 . 1 1 A 15 15 ASP CA C 15 55.100 55.121 -0.021 2
1 213 . 1 1 A 15 15 ASP CB C 15 39.300 39.188 0.111 2
1 214 . 1 1 A 15 15 ASP N N 15 119.600 118.850 0.749 2
1 215 . 1 1 A 16 16 THR H H 16 7.560 7.794 -0.234 2
1 216 . 1 1 A 16 16 THR HA H 16 4.650 4.677 -0.027 2
1 222 . 1 1 A 16 16 THR C C 16 173.200 173.831 -0.631 2
1 223 . 1 1 A 16 16 THR CA C 16 61.500 61.354 0.146 2
1 224 . 1 1 A 16 16 THR CB C 16 71.000 70.930 0.070 2
1 226 . 1 1 A 16 16 THR N N 16 113.100 113.062 0.038 2
1 227 . 1 1 A 17 17 LYS H H 17 8.830 8.564 0.266 2
1 228 . 1 1 A 17 17 LYS HA H 17 4.690 4.803 -0.113 2
1 235 . 1 1 A 17 17 LYS C C 17 173.200 174.591 -1.391 2
1 236 . 1 1 A 17 17 LYS CA C 17 53.600 53.868 -0.268 2
1 237 . 1 1 A 17 17 LYS CB C 17 32.800 32.312 0.488 2
1 241 . 1 1 A 17 17 LYS N N 17 127.200 126.480 0.720 2
1 242 . 1 1 A 18 18 PRO HA H 18 3.540 3.999 -0.459 2
1 249 . 1 1 A 18 18 PRO C C 18 175.800 175.194 0.606 2
1 250 . 1 1 A 18 18 PRO CA C 18 62.000 62.863 -0.863 2
1 251 . 1 1 A 18 18 PRO CB C 18 32.200 32.193 0.007 2
1 254 . 1 1 A 19 19 ASP H H 19 8.310 8.048 0.262 2
1 255 . 1 1 A 19 19 ASP HA H 19 4.740 5.045 -0.305 2
1 258 . 1 1 A 19 19 ASP C C 19 175.100 174.401 0.698 2
1 259 . 1 1 A 19 19 ASP CA C 19 52.300 52.638 -0.338 2
1 260 . 1 1 A 19 19 ASP CB C 19 43.700 44.202 -0.502 2
1 261 . 1 1 A 19 19 ASP N N 19 120.300 120.787 -0.487 2
1 262 . 1 1 A 20 20 HIS H H 20 8.620 8.633 -0.013 2
1 263 . 1 1 A 20 20 HIS HA H 20 5.170 5.151 0.020 2
1 266 . 1 1 A 20 20 HIS CA C 20 53.200 52.805 0.395 2
1 267 . 1 1 A 20 20 HIS CB C 20 28.800 29.942 -1.141 2
1 268 . 1 1 A 20 20 HIS N N 20 118.800 120.037 -1.237 2
1 269 . 1 1 A 21 21 PRO HA H 21 4.190 4.212 -0.022 2
1 276 . 1 1 A 21 21 PRO C C 21 176.600 176.346 0.254 2
1 277 . 1 1 A 21 21 PRO CA C 21 63.900 64.639 -0.739 2
1 278 . 1 1 A 21 21 PRO CB C 21 32.100 31.257 0.843 2
1 281 . 1 1 A 22 22 TRP H H 22 8.340 7.636 0.704 2
1 282 . 1 1 A 22 22 TRP HA H 22 5.000 4.811 0.189 2
1 291 . 1 1 A 22 22 TRP C C 22 174.200 177.211 -3.011 2
1 292 . 1 1 A 22 22 TRP CA C 22 57.100 56.870 0.230 2
1 293 . 1 1 A 22 22 TRP CB C 22 29.400 29.694 -0.294 2
1 299 . 1 1 A 22 22 TRP N N 22 118.700 118.472 0.228 2
1 301 . 1 1 A 23 23 GLU H H 23 9.030 8.820 0.210 2
1 302 . 1 1 A 23 23 GLU HA H 23 4.000 4.158 -0.158 2
1 307 . 1 1 A 23 23 GLU C C 23 177.900 177.700 0.200 2
1 308 . 1 1 A 23 23 GLU CA C 23 59.100 58.903 0.197 2
1 309 . 1 1 A 23 23 GLU CB C 23 29.200 29.258 -0.058 2
1 311 . 1 1 A 23 23 GLU N N 23 128.400 123.418 4.982 2
1 312 . 1 1 A 24 24 LYS H H 24 8.500 7.927 0.573 2
1 313 . 1 1 A 24 24 LYS HA H 24 3.890 4.010 -0.120 2
1 322 . 1 1 A 24 24 LYS C C 24 175.300 176.191 -0.891 2
1 323 . 1 1 A 24 24 LYS CA C 24 57.100 57.896 -0.796 2
1 324 . 1 1 A 24 24 LYS CB C 24 32.300 31.905 0.395 2
1 328 . 1 1 A 24 24 LYS N N 24 115.100 117.815 -2.715 2
1 329 . 1 1 A 25 25 PHE H H 25 7.010 7.861 -0.851 2
1 330 . 1 1 A 25 25 PHE HA H 25 4.740 5.069 -0.329 2
1 338 . 1 1 A 25 25 PHE C C 25 175.300 174.625 0.675 2
1 339 . 1 1 A 25 25 PHE CA C 25 54.300 54.878 -0.578 2
1 340 . 1 1 A 25 25 PHE CB C 25 39.200 38.667 0.533 2
1 346 . 1 1 A 25 25 PHE N N 25 115.100 117.528 -2.427 2
1 347 . 1 1 A 26 26 PRO HA H 26 4.380 4.694 -0.314 2
1 354 . 1 1 A 26 26 PRO C C 26 176.900 177.351 -0.451 2
1 355 . 1 1 A 26 26 PRO CA C 26 64.900 64.951 -0.051 2
1 356 . 1 1 A 26 26 PRO CB C 26 32.200 31.889 0.311 2
1 359 . 1 1 A 27 27 ASP H H 27 8.860 8.804 0.056 2
1 360 . 1 1 A 27 27 ASP HA H 27 4.810 4.678 0.132 2
1 363 . 1 1 A 27 27 ASP C C 27 177.200 176.151 1.049 2
1 364 . 1 1 A 27 27 ASP CA C 27 53.900 55.062 -1.162 2
1 365 . 1 1 A 27 27 ASP CB C 27 39.900 40.964 -1.064 2
1 366 . 1 1 A 27 27 ASP N N 27 114.400 117.539 -3.139 2
1 367 . 1 1 A 28 28 TYR H H 28 8.300 7.937 0.363 2
1 368 . 1 1 A 28 28 TYR HA H 28 5.500 4.996 0.504 2
1 375 . 1 1 A 28 28 TYR C C 28 175.900 176.032 -0.132 2
1 376 . 1 1 A 28 28 TYR CA C 28 55.600 57.626 -2.026 2
1 377 . 1 1 A 28 28 TYR CB C 28 36.400 40.468 -4.068 2
1 382 . 1 1 A 28 28 TYR N N 28 123.700 119.329 4.371 2
1 383 . 1 1 A 29 29 ALA H H 29 9.240 8.603 0.637 2
1 384 . 1 1 A 29 29 ALA HA H 29 5.030 5.116 -0.086 2
1 388 . 1 1 A 29 29 ALA C C 29 174.600 175.604 -1.004 2
1 389 . 1 1 A 29 29 ALA CA C 29 49.700 50.516 -0.816 2
1 390 . 1 1 A 29 29 ALA CB C 29 22.800 22.464 0.336 2
1 391 . 1 1 A 29 29 ALA N N 29 126.000 124.245 1.755 2
1 392 . 1 1 A 30 30 VAL H H 30 8.530 8.621 -0.091 2
1 393 . 1 1 A 30 30 VAL HA H 30 4.250 4.749 -0.499 2
1 401 . 1 1 A 30 30 VAL C C 30 173.400 174.622 -1.222 2
1 402 . 1 1 A 30 30 VAL CA C 30 60.300 61.081 -0.781 2
1 403 . 1 1 A 30 30 VAL CB C 30 34.100 34.252 -0.152 2
1 406 . 1 1 A 30 30 VAL N N 30 119.700 121.448 -1.748 2
1 407 . 1 1 A 31 31 PHE H H 31 8.040 8.932 -0.892 2
1 408 . 1 1 A 31 31 PHE HA H 31 4.250 5.138 -0.888 2
1 416 . 1 1 A 31 31 PHE C C 31 173.200 174.816 -1.616 2
1 417 . 1 1 A 31 31 PHE CA C 31 56.700 56.464 0.236 2
1 418 . 1 1 A 31 31 PHE CB C 31 38.500 41.165 -2.665 2
1 424 . 1 1 A 31 31 PHE N N 31 124.100 126.276 -2.176 2
1 425 . 1 1 A 32 32 ARG H H 32 8.720 8.825 -0.105 2
1 426 . 1 1 A 32 32 ARG HA H 32 5.320 4.663 0.657 2
1 434 . 1 1 A 32 32 ARG C C 32 176.400 174.112 2.288 2
1 435 . 1 1 A 32 32 ARG CA C 32 53.400 54.227 -0.827 2
1 436 . 1 1 A 32 32 ARG CB C 32 34.200 33.703 0.497 2
1 440 . 1 1 A 32 32 ARG N N 32 122.300 121.300 1.000 2
1 442 . 1 1 A 33 33 HIS H H 33 8.560 8.684 -0.124 2
1 443 . 1 1 A 33 33 HIS HA H 33 4.710 4.987 -0.277 2
1 446 . 1 1 A 33 33 HIS C C 33 176.400 175.710 0.690 2
1 447 . 1 1 A 33 33 HIS CA C 33 56.500 54.943 1.557 2
1 448 . 1 1 A 33 33 HIS CB C 33 28.900 31.150 -2.250 2
1 449 . 1 1 A 33 33 HIS N N 33 119.800 122.537 -2.737 2
1 450 . 1 1 A 34 34 SER H H 34 9.160 9.034 0.126 2
1 451 . 1 1 A 34 34 SER HA H 34 4.390 4.252 0.138 2
1 454 . 1 1 A 34 34 SER C C 34 174.900 175.752 -0.852 2
1 455 . 1 1 A 34 34 SER CA C 34 60.400 61.038 -0.638 2
1 456 . 1 1 A 34 34 SER CB C 34 63.200 63.246 -0.046 2
1 457 . 1 1 A 34 34 SER N N 34 118.700 119.902 -1.202 2
1 458 . 1 1 A 35 35 ASP H H 35 8.660 8.211 0.449 2
1 459 . 1 1 A 35 35 ASP HA H 35 4.570 4.471 0.099 2
1 462 . 1 1 A 35 35 ASP C C 35 177.000 177.200 -0.200 2
1 463 . 1 1 A 35 35 ASP CA C 35 54.300 56.177 -1.877 2
1 464 . 1 1 A 35 35 ASP CB C 35 39.700 40.861 -1.161 2
1 465 . 1 1 A 35 35 ASP N N 35 118.200 120.979 -2.779 2
1 466 . 1 1 A 36 36 ASN H H 36 7.900 7.843 0.057 2
1 467 . 1 1 A 36 36 ASN HA H 36 4.660 4.911 -0.251 2
1 472 . 1 1 A 36 36 ASN C C 36 175.100 175.018 0.082 2
1 473 . 1 1 A 36 36 ASN CA C 36 52.000 52.720 -0.720 2
1 474 . 1 1 A 36 36 ASN CB C 36 38.900 39.370 -0.470 2
1 476 . 1 1 A 36 36 ASN N N 36 116.200 115.970 0.230 2
1 478 . 1 1 A 37 37 ASP H H 37 7.890 8.250 -0.360 2
1 479 . 1 1 A 37 37 ASP HA H 37 4.670 4.421 0.249 2
1 482 . 1 1 A 37 37 ASP C C 37 175.800 175.570 0.230 2
1 483 . 1 1 A 37 37 ASP CA C 37 55.800 55.714 0.086 2
1 484 . 1 1 A 37 37 ASP CB C 37 40.500 39.868 0.632 2
1 485 . 1 1 A 37 37 ASP N N 37 115.300 118.545 -3.245 2
1 486 . 1 1 A 38 38 LYS H H 38 8.310 8.143 0.167 2
1 487 . 1 1 A 38 38 LYS HA H 38 4.390 4.227 0.163 2
1 496 . 1 1 A 38 38 LYS C C 38 175.300 175.763 -0.463 2
1 497 . 1 1 A 38 38 LYS CA C 38 56.700 56.397 0.303 2
1 498 . 1 1 A 38 38 LYS CB C 38 32.500 33.169 -0.669 2
1 502 . 1 1 A 38 38 LYS N N 38 119.300 117.834 1.466 2
1 503 . 1 1 A 39 39 TRP HA H 39 5.000 5.018 -0.018 2
1 512 . 1 1 A 39 39 TRP C C 39 176.100 174.357 1.743 2
1 513 . 1 1 A 39 39 TRP CA C 39 55.700 56.278 -0.578 2
1 514 . 1 1 A 39 39 TRP CB C 39 30.300 30.723 -0.423 2
1 521 . 1 1 A 40 40 TYR H H 40 9.270 8.816 0.454 2
1 522 . 1 1 A 40 40 TYR HA H 40 5.280 5.015 0.265 2
1 525 . 1 1 A 40 40 TYR C C 40 175.400 174.598 0.802 2
1 526 . 1 1 A 40 40 TYR CA C 40 55.700 56.291 -0.591 2
1 527 . 1 1 A 40 40 TYR CB C 40 40.300 40.926 -0.626 2
1 528 . 1 1 A 40 40 TYR N N 40 114.000 122.737 -8.737 2
1 529 . 1 1 A 41 41 ALA H H 41 7.760 8.388 -0.628 2
1 530 . 1 1 A 41 41 ALA HA H 41 5.580 4.951 0.629 2
1 534 . 1 1 A 41 41 ALA C C 41 177.300 175.640 1.660 2
1 535 . 1 1 A 41 41 ALA CA C 41 52.900 51.535 1.365 2
1 536 . 1 1 A 41 41 ALA CB C 41 21.900 21.556 0.344 2
1 537 . 1 1 A 41 41 ALA N N 41 121.500 125.300 -3.800 2
1 538 . 1 1 A 42 42 LEU H H 42 8.300 8.836 -0.536 2
1 539 . 1 1 A 42 42 LEU HA H 42 5.200 5.298 -0.098 2
1 549 . 1 1 A 42 42 LEU C C 42 173.300 174.496 -1.196 2
1 550 . 1 1 A 42 42 LEU CA C 42 54.100 53.456 0.644 2
1 551 . 1 1 A 42 42 LEU CB C 42 45.900 45.370 0.530 2
1 555 . 1 1 A 42 42 LEU N N 42 123.700 121.825 1.875 2
1 556 . 1 1 A 43 43 LEU H H 43 9.700 9.060 0.640 2
1 557 . 1 1 A 43 43 LEU HA H 43 5.250 5.363 -0.113 2
1 567 . 1 1 A 43 43 LEU C C 43 173.300 175.205 -1.905 2
1 568 . 1 1 A 43 43 LEU CA C 43 54.000 53.459 0.541 2
1 569 . 1 1 A 43 43 LEU CB C 43 46.000 45.295 0.704 2
1 573 . 1 1 A 43 43 LEU N N 43 130.400 125.713 4.687 2
1 574 . 1 1 A 44 44 MET H H 44 8.800 8.430 0.370 2
1 575 . 1 1 A 44 44 MET HA H 44 4.420 4.786 -0.366 2
1 583 . 1 1 A 44 44 MET C C 44 172.500 173.371 -0.871 2
1 584 . 1 1 A 44 44 MET CA C 44 55.000 53.599 1.401 2
1 585 . 1 1 A 44 44 MET CB C 44 39.100 35.097 4.003 2
1 588 . 1 1 A 44 44 MET N N 44 122.800 122.587 0.213 2
1 589 . 1 1 A 45 45 ASP H H 45 7.960 8.434 -0.474 2
1 590 . 1 1 A 45 45 ASP HA H 45 5.490 5.364 0.126 2
1 593 . 1 1 A 45 45 ASP C C 45 175.200 175.563 -0.363 2
1 594 . 1 1 A 45 45 ASP CA C 45 51.900 53.130 -1.231 2
1 595 . 1 1 A 45 45 ASP CB C 45 40.800 42.148 -1.348 2
1 596 . 1 1 A 45 45 ASP N N 45 119.400 119.256 0.144 2
1 597 . 1 1 A 46 46 ILE H H 46 8.800 8.366 0.434 2
1 598 . 1 1 A 46 46 ILE HA H 46 4.870 4.852 0.018 2
1 608 . 1 1 A 46 46 ILE CA C 46 57.700 57.077 0.623 2
1 609 . 1 1 A 46 46 ILE CB C 46 40.100 40.137 -0.037 2
1 613 . 1 1 A 46 46 ILE N N 46 117.400 119.017 -1.617 2
1 614 . 1 1 A 47 47 PRO HA H 47 4.420 4.489 -0.069 2
1 621 . 1 1 A 47 47 PRO C C 47 177.800 177.387 0.413 2
1 622 . 1 1 A 47 47 PRO CA C 47 63.000 62.933 0.067 2
1 623 . 1 1 A 47 47 PRO CB C 47 31.900 32.661 -0.761 2
1 626 . 1 1 A 48 48 ALA H H 48 8.550 8.637 -0.087 2
1 627 . 1 1 A 48 48 ALA HA H 48 3.550 3.983 -0.433 2
1 631 . 1 1 A 48 48 ALA C C 48 179.200 179.423 -0.223 2
1 632 . 1 1 A 48 48 ALA CA C 48 55.200 54.752 0.448 2
1 633 . 1 1 A 48 48 ALA CB C 48 17.700 18.177 -0.477 2
1 634 . 1 1 A 48 48 ALA N N 48 130.100 127.100 3.000 2
1 635 . 1 1 A 49 49 GLU H H 49 8.700 8.270 0.430 2
1 636 . 1 1 A 49 49 GLU HA H 49 4.180 4.228 -0.048 2
1 641 . 1 1 A 49 49 GLU C C 49 179.800 177.984 1.816 2
1 642 . 1 1 A 49 49 GLU CA C 49 58.200 58.614 -0.414 2
1 643 . 1 1 A 49 49 GLU CB C 49 28.200 28.583 -0.383 2
1 645 . 1 1 A 49 49 GLU N N 49 114.900 117.013 -2.113 2
1 646 . 1 1 A 50 50 LYS H H 50 7.910 7.661 0.249 2
1 647 . 1 1 A 50 50 LYS HA H 50 4.060 4.108 -0.048 2
1 656 . 1 1 A 50 50 LYS C C 50 178.100 178.124 -0.024 2
1 657 . 1 1 A 50 50 LYS CA C 50 56.900 58.087 -1.187 2
1 658 . 1 1 A 50 50 LYS CB C 50 31.700 32.274 -0.574 2
1 662 . 1 1 A 50 50 LYS N N 50 118.100 118.491 -0.391 2
1 663 . 1 1 A 51 51 ILE H H 51 7.190 7.383 -0.193 2
1 664 . 1 1 A 51 51 ILE HA H 51 4.490 4.152 0.338 2
1 674 . 1 1 A 51 51 ILE C C 51 175.300 176.505 -1.205 2
1 675 . 1 1 A 51 51 ILE CA C 51 60.100 60.212 -0.112 2
1 676 . 1 1 A 51 51 ILE CB C 51 37.400 37.251 0.149 2
1 680 . 1 1 A 51 51 ILE N N 51 109.000 112.745 -3.745 2
1 681 . 1 1 A 52 52 GLY H H 52 7.370 7.855 -0.485 2
1 682 . 1 1 A 52 52 GLY HA2 H 52 4.050 3.899 0.151 2
1 683 . 1 1 A 52 52 GLY HA3 H 52 3.730 3.936 -0.206 2
1 684 . 1 1 A 52 52 GLY C C 52 174.200 174.074 0.126 2
1 685 . 1 1 A 52 52 GLY CA C 52 46.100 45.282 0.818 2
1 686 . 1 1 A 52 52 GLY N N 52 106.900 110.617 -3.717 2
1 687 . 1 1 A 53 53 ILE H H 53 7.260 7.206 0.054 2
1 688 . 1 1 A 53 53 ILE HA H 53 4.040 4.068 -0.028 2
1 698 . 1 1 A 53 53 ILE C C 53 174.700 175.966 -1.266 2
1 699 . 1 1 A 53 53 ILE CA C 53 60.500 60.474 0.026 2
1 700 . 1 1 A 53 53 ILE CB C 53 38.700 37.676 1.024 2
1 704 . 1 1 A 53 53 ILE N N 53 121.900 122.408 -0.508 2
1 705 . 1 1 A 54 54 ASN H H 54 8.280 8.879 -0.599 2
1 706 . 1 1 A 54 54 ASN HA H 54 4.540 4.652 -0.112 2
1 711 . 1 1 A 54 54 ASN C C 54 175.400 175.812 -0.412 2
1 712 . 1 1 A 54 54 ASN CA C 54 53.700 54.145 -0.445 2
1 713 . 1 1 A 54 54 ASN CB C 54 39.000 37.973 1.027 2
1 715 . 1 1 A 54 54 ASN N N 54 123.300 124.891 -1.591 2
1 717 . 1 1 A 55 55 GLY H H 55 8.240 8.110 0.130 2
1 718 . 1 1 A 55 55 GLY HA2 H 55 4.230 4.055 0.175 2
1 719 . 1 1 A 55 55 GLY HA3 H 55 3.740 4.060 -0.320 2
1 720 . 1 1 A 55 55 GLY C C 55 173.200 173.957 -0.757 2
1 721 . 1 1 A 55 55 GLY CA C 55 44.800 45.565 -0.765 2
1 722 . 1 1 A 55 55 GLY N N 55 110.200 109.184 1.016 2
1 723 . 1 1 A 56 56 ASP H H 56 8.320 8.613 -0.293 2
1 724 . 1 1 A 56 56 ASP HA H 56 4.700 4.580 0.120 2
1 727 . 1 1 A 56 56 ASP C C 56 175.800 175.691 0.109 2
1 728 . 1 1 A 56 56 ASP CA C 56 53.400 54.168 -0.768 2
1 729 . 1 1 A 56 56 ASP CB C 56 40.500 40.357 0.143 2
1 730 . 1 1 A 56 56 ASP N N 56 119.000 120.809 -1.809 2
1 731 . 1 1 A 57 57 LYS H H 57 7.780 7.514 0.266 2
1 732 . 1 1 A 57 57 LYS HA H 57 4.400 4.528 -0.128 2
1 741 . 1 1 A 57 57 LYS C C 57 175.700 176.168 -0.468 2
1 742 . 1 1 A 57 57 LYS CA C 57 55.600 55.707 -0.107 2
1 743 . 1 1 A 57 57 LYS CB C 57 33.700 33.608 0.092 2
1 747 . 1 1 A 57 57 LYS N N 57 119.500 119.127 0.373 2
1 748 . 1 1 A 58 58 ARG H H 58 8.410 8.565 -0.155 2
1 749 . 1 1 A 58 58 ARG HA H 58 4.740 4.580 0.160 2
1 757 . 1 1 A 58 58 ARG C C 58 176.200 176.166 0.034 2
1 758 . 1 1 A 58 58 ARG CA C 58 55.300 56.082 -0.782 2
1 759 . 1 1 A 58 58 ARG CB C 58 31.700 31.005 0.695 2
1 763 . 1 1 A 58 58 ARG N N 58 120.900 123.468 -2.568 2
1 765 . 1 1 A 59 59 VAL H H 59 9.030 8.523 0.507 2
1 766 . 1 1 A 59 59 VAL HA H 59 4.570 4.918 -0.348 2
1 774 . 1 1 A 59 59 VAL C C 59 173.900 173.816 0.084 2
1 775 . 1 1 A 59 59 VAL CA C 59 58.700 58.593 0.107 2
1 776 . 1 1 A 59 59 VAL CB C 59 34.700 35.689 -0.989 2
1 779 . 1 1 A 59 59 VAL N N 59 115.600 118.349 -2.749 2
1 780 . 1 1 A 60 60 ASP H H 60 8.290 8.646 -0.356 2
1 781 . 1 1 A 60 60 ASP HA H 60 5.560 5.272 0.288 2
1 784 . 1 1 A 60 60 ASP C C 60 175.800 175.708 0.092 2
1 785 . 1 1 A 60 60 ASP CA C 60 53.600 53.516 0.084 2
1 786 . 1 1 A 60 60 ASP CB C 60 43.100 42.606 0.494 2
1 787 . 1 1 A 60 60 ASP N N 60 120.700 121.738 -1.038 2
1 788 . 1 1 A 61 61 VAL H H 61 9.080 8.621 0.459 2
1 789 . 1 1 A 61 61 VAL HA H 61 5.150 5.220 -0.070 2
1 797 . 1 1 A 61 61 VAL C C 61 173.800 174.303 -0.503 2
1 798 . 1 1 A 61 61 VAL CA C 61 57.600 59.121 -1.521 2
1 799 . 1 1 A 61 61 VAL CB C 61 35.500 35.845 -0.345 2
1 802 . 1 1 A 61 61 VAL N N 61 115.200 117.488 -2.288 2
1 803 . 1 1 A 62 62 ILE H H 62 8.530 8.412 0.118 2
1 804 . 1 1 A 62 62 ILE HA H 62 5.550 5.168 0.382 2
1 814 . 1 1 A 62 62 ILE CA C 62 57.800 58.584 -0.784 2
1 815 . 1 1 A 62 62 ILE CB C 62 41.700 41.814 -0.114 2
1 819 . 1 1 A 62 62 ILE N N 62 112.000 118.611 -6.611 2
1 820 . 1 1 A 64 64 LEU HA H 64 4.960 5.121 -0.161 2
1 830 . 1 1 A 64 64 LEU C C 64 173.100 174.910 -1.810 2
1 831 . 1 1 A 64 64 LEU CA C 64 53.500 53.553 -0.053 2
1 832 . 1 1 A 64 64 LEU CB C 64 47.000 46.121 0.879 2
1 836 . 1 1 A 65 65 LYS H H 65 8.470 8.825 -0.355 2
1 837 . 1 1 A 65 65 LYS HA H 65 3.760 5.113 -1.353 2
1 846 . 1 1 A 65 65 LYS C C 65 175.100 176.253 -1.153 2
1 847 . 1 1 A 65 65 LYS CA C 65 55.700 56.006 -0.306 2
1 848 . 1 1 A 65 65 LYS CB C 65 33.600 33.579 0.021 2
1 852 . 1 1 A 65 65 LYS N N 65 126.700 125.567 1.133 2
1 853 . 1 1 A 66 66 VAL H H 66 7.840 8.686 -0.846 2
1 854 . 1 1 A 66 66 VAL HA H 66 4.410 4.884 -0.474 2
1 862 . 1 1 A 66 66 VAL C C 66 175.300 174.725 0.575 2
1 863 . 1 1 A 66 66 VAL CA C 66 58.300 58.784 -0.484 2
1 864 . 1 1 A 66 66 VAL CB C 66 36.400 35.934 0.466 2
1 867 . 1 1 A 66 66 VAL N N 66 116.000 118.802 -2.802 2
1 868 . 1 1 A 67 67 GLN H H 67 8.620 8.539 0.081 2
1 869 . 1 1 A 67 67 GLN HA H 67 4.350 4.510 -0.160 2
1 876 . 1 1 A 67 67 GLN CA C 67 54.900 54.042 0.858 2
1 877 . 1 1 A 67 67 GLN CB C 67 27.600 28.346 -0.746 2
1 880 . 1 1 A 67 67 GLN N N 67 123.000 121.100 1.900 2
1 882 . 1 1 A 68 68 PRO HA H 68 4.200 4.230 -0.030 2
1 889 . 1 1 A 68 68 PRO C C 68 179.400 177.695 1.705 2
1 890 . 1 1 A 68 68 PRO CA C 68 65.100 64.879 0.221 2
1 891 . 1 1 A 68 68 PRO CB C 68 31.700 31.841 -0.141 2
1 894 . 1 1 A 69 69 GLU H H 69 9.620 8.514 1.106 2
1 895 . 1 1 A 69 69 GLU HA H 69 4.190 4.168 0.022 2
1 900 . 1 1 A 69 69 GLU C C 69 177.100 177.783 -0.683 2
1 901 . 1 1 A 69 69 GLU CA C 69 58.600 58.338 0.262 2
1 902 . 1 1 A 69 69 GLU CB C 69 28.100 29.704 -1.604 2
1 904 . 1 1 A 69 69 GLU N N 69 116.900 116.696 0.204 2
1 905 . 1 1 A 70 70 LEU H H 70 7.940 7.686 0.254 2
1 906 . 1 1 A 70 70 LEU HA H 70 4.460 4.380 0.080 2
1 916 . 1 1 A 70 70 LEU C C 70 177.600 177.881 -0.282 2
1 917 . 1 1 A 70 70 LEU CA C 70 54.500 54.866 -0.366 2
1 918 . 1 1 A 70 70 LEU CB C 70 42.800 42.072 0.728 2
1 922 . 1 1 A 70 70 LEU N N 70 118.700 118.872 -0.172 2
1 923 . 1 1 A 71 71 VAL H H 71 7.080 7.660 -0.580 2
1 924 . 1 1 A 71 71 VAL HA H 71 3.210 3.755 -0.545 2
1 932 . 1 1 A 71 71 VAL C C 71 176.800 177.870 -1.070 2
1 933 . 1 1 A 71 71 VAL CA C 71 67.700 65.932 1.768 2
1 934 . 1 1 A 71 71 VAL CB C 71 32.000 31.186 0.814 2
1 937 . 1 1 A 71 71 VAL N N 71 120.300 120.264 0.036 2
1 938 . 1 1 A 72 72 GLY H H 72 8.540 8.318 0.222 2
1 939 . 1 1 A 72 72 GLY HA2 H 72 3.770 3.815 -0.045 2
1 940 . 1 1 A 72 72 GLY HA3 H 72 3.630 3.817 -0.188 2
1 941 . 1 1 A 72 72 GLY C C 72 176.300 176.207 0.093 2
1 942 . 1 1 A 72 72 GLY CA C 72 47.000 47.128 -0.128 2
1 943 . 1 1 A 72 72 GLY N N 72 105.300 109.131 -3.831 2
1 944 . 1 1 A 73 73 SER H H 73 7.870 8.099 -0.229 2
1 945 . 1 1 A 73 73 SER HA H 73 4.170 4.178 -0.008 2
1 948 . 1 1 A 73 73 SER C C 73 178.000 176.672 1.328 2
1 949 . 1 1 A 73 73 SER CA C 73 60.600 61.717 -1.117 2
1 950 . 1 1 A 73 73 SER CB C 73 62.700 62.851 -0.151 2
1 951 . 1 1 A 73 73 SER N N 73 115.700 117.685 -1.985 2
1 952 . 1 1 A 74 74 LEU H H 74 8.340 7.767 0.573 2
1 953 . 1 1 A 74 74 LEU HA H 74 4.000 4.093 -0.093 2
1 963 . 1 1 A 74 74 LEU C C 74 178.400 178.721 -0.321 2
1 964 . 1 1 A 74 74 LEU CA C 74 57.900 57.467 0.433 2
1 965 . 1 1 A 74 74 LEU CB C 74 41.700 41.820 -0.120 2
1 969 . 1 1 A 74 74 LEU N N 74 124.600 121.281 3.319 2
1 970 . 1 1 A 75 75 ARG H H 75 7.850 8.189 -0.339 2
1 971 . 1 1 A 75 75 ARG HA H 75 3.750 4.026 -0.276 2
1 979 . 1 1 A 75 75 ARG C C 75 176.500 178.324 -1.824 2
1 980 . 1 1 A 75 75 ARG CA C 75 57.800 58.863 -1.063 2
1 981 . 1 1 A 75 75 ARG CB C 75 29.500 29.790 -0.290 2
1 985 . 1 1 A 75 75 ARG N N 75 113.300 119.027 -5.727 2
1 987 . 1 1 A 76 76 LYS H H 76 7.100 8.038 -0.938 2
1 988 . 1 1 A 76 76 LYS HA H 76 4.210 4.208 0.002 2
1 997 . 1 1 A 76 76 LYS C C 76 177.000 176.774 0.226 2
1 998 . 1 1 A 76 76 LYS CA C 76 56.500 58.297 -1.797 2
1 999 . 1 1 A 76 76 LYS CB C 76 32.700 32.041 0.659 2
1 1003 . 1 1 A 76 76 LYS N N 76 116.600 116.694 -0.094 2
1 1004 . 1 1 A 77 77 LYS H H 77 7.830 7.332 0.498 2
1 1005 . 1 1 A 77 77 LYS HA H 77 4.470 4.449 0.021 2
1 1014 . 1 1 A 77 77 LYS CA C 77 54.500 53.865 0.635 2
1 1015 . 1 1 A 77 77 LYS CB C 77 31.800 32.224 -0.424 2
1 1019 . 1 1 A 77 77 LYS N N 77 122.900 121.269 1.631 2
1 1020 . 1 1 A 78 78 PRO HA H 78 4.190 4.160 0.030 2
1 1027 . 1 1 A 78 78 PRO C C 78 176.600 177.205 -0.605 2
1 1028 . 1 1 A 78 78 PRO CA C 78 63.700 63.567 0.133 2
1 1029 . 1 1 A 78 78 PRO CB C 78 31.900 31.694 0.206 2
1 1032 . 1 1 A 79 79 GLY H H 79 8.290 8.675 -0.385 2
1 1033 . 1 1 A 79 79 GLY HA2 H 79 4.350 3.897 0.453 2
1 1034 . 1 1 A 79 79 GLY HA3 H 79 3.590 3.959 -0.369 2
1 1035 . 1 1 A 79 79 GLY C C 79 172.000 173.845 -1.845 2
1 1036 . 1 1 A 79 79 GLY CA C 79 45.500 45.298 0.202 2
1 1037 . 1 1 A 79 79 GLY N N 79 109.300 111.081 -1.781 2
1 1038 . 1 1 A 80 80 ILE H H 80 7.300 7.378 -0.078 2
1 1039 . 1 1 A 80 80 ILE HA H 80 4.770 4.205 0.565 2
1 1049 . 1 1 A 80 80 ILE C C 80 174.200 174.803 -0.603 2
1 1050 . 1 1 A 80 80 ILE CA C 80 60.500 60.889 -0.390 2
1 1051 . 1 1 A 80 80 ILE CB C 80 37.000 38.793 -1.793 2
1 1055 . 1 1 A 80 80 ILE N N 80 119.200 122.247 -3.047 2
1 1056 . 1 1 A 81 81 TYR H H 81 9.490 8.561 0.929 2
1 1057 . 1 1 A 81 81 TYR HA H 81 4.840 4.945 -0.105 2
1 1064 . 1 1 A 81 81 TYR CA C 81 56.800 55.791 1.009 2
1 1065 . 1 1 A 81 81 TYR CB C 81 39.800 40.477 -0.677 2
1 1070 . 1 1 A 81 81 TYR N N 81 126.100 126.487 -0.387 2
1 1071 . 1 1 A 82 82 PRO HA H 82 4.610 4.542 0.068 2
1 1078 . 1 1 A 82 82 PRO CA C 82 62.300 62.962 -0.662 2
1 1079 . 1 1 A 82 82 PRO CB C 82 32.000 32.154 -0.155 2
1 1082 . 1 1 A 83 83 ALA HA H 83 4.140 4.343 -0.203 2
1 1086 . 1 1 A 84 84 TYR HA H 84 4.470 4.644 -0.174 2
1 1093 . 1 1 A 84 84 TYR CA C 84 57.500 58.408 -0.908 2
1 1094 . 1 1 A 84 84 TYR CB C 84 39.500 38.917 0.583 2
1 1099 . 1 1 A 87 87 ASN HA H 87 4.410 4.410 0.000 2
1 1104 . 1 1 A 87 87 ASN C C 87 176.500 175.205 1.295 2
1 1105 . 1 1 A 87 87 ASN CA C 87 55.100 54.123 0.977 2
1 1106 . 1 1 A 87 87 ASN CB C 87 40.600 37.807 2.793 2
1 1109 . 1 1 A 88 88 LYS H H 88 8.710 8.294 0.416 2
1 1110 . 1 1 A 88 88 LYS HA H 88 4.320 4.277 0.043 2
1 1119 . 1 1 A 88 88 LYS C C 88 177.600 177.543 0.057 2
1 1120 . 1 1 A 88 88 LYS CA C 88 58.100 57.858 0.242 2
1 1121 . 1 1 A 88 88 LYS CB C 88 33.000 33.015 -0.015 2
1 1125 . 1 1 A 88 88 LYS N N 88 123.800 120.581 3.219 2
1 1126 . 1 1 A 89 89 GLU H H 89 8.390 8.478 -0.088 2
1 1127 . 1 1 A 89 89 GLU HA H 89 4.270 4.151 0.119 2
1 1132 . 1 1 A 89 89 GLU C C 89 176.500 178.610 -2.110 2
1 1133 . 1 1 A 89 89 GLU CA C 89 57.800 58.462 -0.662 2
1 1134 . 1 1 A 89 89 GLU CB C 89 30.100 29.905 0.195 2
1 1136 . 1 1 A 89 89 GLU N N 89 117.000 119.727 -2.727 2
1 1137 . 1 1 A 90 90 HIS H H 90 7.600 7.760 -0.160 2
1 1138 . 1 1 A 90 90 HIS HA H 90 4.580 4.278 0.302 2
1 1142 . 1 1 A 90 90 HIS C C 90 170.800 174.882 -4.082 2
1 1143 . 1 1 A 90 90 HIS CA C 90 55.500 58.166 -2.666 2
1 1144 . 1 1 A 90 90 HIS CB C 90 32.200 29.726 2.474 2
1 1145 . 1 1 A 90 90 HIS N N 90 111.500 116.218 -4.718 2
1 1146 . 1 1 A 91 91 TRP H H 91 7.650 7.711 -0.061 2
1 1147 . 1 1 A 91 91 TRP HA H 91 5.610 5.416 0.194 2
1 1156 . 1 1 A 91 91 TRP C C 91 174.600 175.604 -1.004 2
1 1157 . 1 1 A 91 91 TRP CA C 91 55.500 55.971 -0.471 2
1 1158 . 1 1 A 91 91 TRP CB C 91 31.700 32.196 -0.496 2
1 1163 . 1 1 A 91 91 TRP N N 91 117.400 116.562 0.838 2
1 1165 . 1 1 A 92 92 ILE H H 92 9.100 8.897 0.203 2
1 1166 . 1 1 A 92 92 ILE HA H 92 4.630 4.828 -0.198 2
1 1176 . 1 1 A 92 92 ILE C C 92 174.500 175.000 -0.500 2
1 1177 . 1 1 A 92 92 ILE CA C 92 59.800 59.869 -0.069 2
1 1178 . 1 1 A 92 92 ILE CB C 92 42.500 42.088 0.412 2
1 1182 . 1 1 A 92 92 ILE N N 92 111.700 122.478 -10.778 2
1 1183 . 1 1 A 93 93 THR H H 93 8.570 8.451 0.119 2
1 1184 . 1 1 A 93 93 THR HA H 93 4.250 5.030 -0.780 2
1 1190 . 1 1 A 93 93 THR CA C 93 61.800 61.430 0.370 2
1 1191 . 1 1 A 93 93 THR CB C 93 70.200 70.255 -0.055 2
1 1193 . 1 1 A 93 93 THR N N 93 117.600 120.099 -2.499 2
1 1194 . 1 1 A 94 94 VAL HA H 94 4.680 4.777 -0.097 2
1 1202 . 1 1 A 94 94 VAL C C 94 175.400 174.688 0.712 2
1 1203 . 1 1 A 94 94 VAL CA C 94 60.700 60.766 -0.066 2
1 1204 . 1 1 A 94 94 VAL CB C 94 34.100 34.428 -0.328 2
1 1207 . 1 1 A 95 95 LEU H H 95 8.080 8.609 -0.529 2
1 1208 . 1 1 A 95 95 LEU HA H 95 4.330 4.586 -0.256 2
1 1218 . 1 1 A 95 95 LEU C C 95 176.400 176.129 0.271 2
1 1219 . 1 1 A 95 95 LEU CA C 95 55.000 54.445 0.555 2
1 1220 . 1 1 A 95 95 LEU CB C 95 44.300 42.072 2.228 2
1 1224 . 1 1 A 95 95 LEU N N 95 127.500 127.840 -0.340 2
1 1225 . 1 1 A 96 96 LEU H H 96 8.050 8.343 -0.293 2
1 1226 . 1 1 A 96 96 LEU HA H 96 4.150 4.025 0.125 2
1 1236 . 1 1 A 96 96 LEU C C 96 177.400 178.499 -1.099 2
1 1237 . 1 1 A 96 96 LEU CA C 96 56.500 57.987 -1.487 2
1 1238 . 1 1 A 96 96 LEU CB C 96 40.500 41.516 -1.016 2
1 1242 . 1 1 A 96 96 LEU N N 96 128.100 127.150 0.949 2
1 1243 . 1 1 A 97 97 ASN H H 97 8.690 8.046 0.644 2
1 1244 . 1 1 A 97 97 ASN HA H 97 4.740 4.726 0.015 2
1 1249 . 1 1 A 97 97 ASN C C 97 174.900 176.239 -1.339 2
1 1250 . 1 1 A 97 97 ASN CA C 97 53.000 54.562 -1.562 2
1 1251 . 1 1 A 97 97 ASN CB C 97 37.700 38.600 -0.900 2
1 1252 . 1 1 A 97 97 ASN N N 97 117.200 115.470 1.730 2
1 1254 . 1 1 A 98 98 GLY H H 98 7.820 8.038 -0.218 2
1 1255 . 1 1 A 98 98 GLY HA2 H 98 4.470 4.113 0.357 2
1 1256 . 1 1 A 98 98 GLY HA3 H 98 3.740 4.120 -0.380 2
1 1257 . 1 1 A 98 98 GLY C C 98 174.900 174.700 0.200 2
1 1258 . 1 1 A 98 98 GLY CA C 98 44.900 44.340 0.560 2
1 1259 . 1 1 A 98 98 GLY N N 98 108.600 107.986 0.614 2
1 1260 . 1 1 A 99 99 PRO HA H 99 4.380 4.522 -0.142 2
1 1267 . 1 1 A 99 99 PRO C C 99 177.400 176.665 0.735 2
1 1268 . 1 1 A 99 99 PRO CA C 99 63.900 64.023 -0.123 2
1 1269 . 1 1 A 99 99 PRO CB C 99 32.400 32.006 0.394 2
1 1272 . 1 1 A 100 100 LEU H H 100 7.750 7.612 0.138 2
1 1273 . 1 1 A 100 100 LEU HA H 100 4.280 4.305 -0.025 2
1 1283 . 1 1 A 100 100 LEU C C 100 177.400 176.860 0.540 2
1 1284 . 1 1 A 100 100 LEU CA C 100 55.800 54.673 1.127 2
1 1285 . 1 1 A 100 100 LEU CB C 100 42.600 42.440 0.160 2
1 1289 . 1 1 A 100 100 LEU N N 100 120.300 118.015 2.285 2
1 1290 . 1 1 A 101 101 GLY H H 101 8.620 8.257 0.363 2
1 1291 . 1 1 A 101 101 GLY HA2 H 101 4.110 4.123 -0.013 2
1 1292 . 1 1 A 101 101 GLY HA3 H 101 3.890 4.129 -0.239 2
1 1293 . 1 1 A 101 101 GLY C C 101 173.600 174.697 -1.097 2
1 1294 . 1 1 A 101 101 GLY CA C 101 44.300 44.458 -0.158 2
1 1295 . 1 1 A 101 101 GLY N N 101 110.600 108.903 1.697 2
1 1296 . 1 1 A 102 102 ALA H H 102 8.310 8.902 -0.592 2
1 1297 . 1 1 A 102 102 ALA HA H 102 3.520 3.832 -0.312 2
1 1301 . 1 1 A 102 102 ALA C C 102 178.900 179.585 -0.685 2
1 1302 . 1 1 A 102 102 ALA CA C 102 55.400 54.602 0.798 2
1 1303 . 1 1 A 102 102 ALA CB C 102 18.600 18.152 0.448 2
1 1304 . 1 1 A 102 102 ALA N N 102 122.000 123.383 -1.383 2
1 1305 . 1 1 A 103 103 LYS H H 103 8.360 7.927 0.433 2
1 1306 . 1 1 A 103 103 LYS HA H 103 3.730 3.891 -0.161 2
1 1315 . 1 1 A 103 103 LYS C C 103 179.400 179.296 0.104 2
1 1316 . 1 1 A 103 103 LYS CA C 103 60.000 59.431 0.569 2
1 1317 . 1 1 A 103 103 LYS CB C 103 31.900 32.144 -0.244 2
1 1321 . 1 1 A 103 103 LYS N N 103 116.500 117.136 -0.636 2
1 1322 . 1 1 A 104 104 GLU H H 104 7.890 7.937 -0.047 2
1 1323 . 1 1 A 104 104 GLU HA H 104 4.080 4.098 -0.018 2
1 1328 . 1 1 A 104 104 GLU C C 104 179.300 179.465 -0.165 2
1 1329 . 1 1 A 104 104 GLU CA C 104 59.500 59.020 0.480 2
1 1330 . 1 1 A 104 104 GLU CB C 104 29.100 29.581 -0.481 2
1 1332 . 1 1 A 104 104 GLU N N 104 120.000 119.654 0.346 2
1 1333 . 1 1 A 105 105 ILE H H 105 8.170 7.720 0.450 2
1 1334 . 1 1 A 105 105 ILE HA H 105 3.520 3.692 -0.172 2
1 1344 . 1 1 A 105 105 ILE C C 105 178.100 178.186 -0.086 2
1 1345 . 1 1 A 105 105 ILE CA C 105 66.700 65.357 1.343 2
1 1346 . 1 1 A 105 105 ILE CB C 105 37.700 37.728 -0.028 2
1 1350 . 1 1 A 105 105 ILE N N 105 119.500 120.521 -1.021 2
1 1351 . 1 1 A 106 106 HIS H H 106 8.930 8.205 0.725 2
1 1352 . 1 1 A 106 106 HIS HA H 106 4.230 4.190 0.040 2
1 1356 . 1 1 A 106 106 HIS C C 106 178.000 177.740 0.260 2
1 1357 . 1 1 A 106 106 HIS CA C 106 57.600 59.868 -2.268 2
1 1358 . 1 1 A 106 106 HIS CB C 106 28.400 29.589 -1.189 2
1 1360 . 1 1 A 106 106 HIS N N 106 116.700 120.166 -3.466 2
1 1361 . 1 1 A 107 107 SER H H 107 8.060 8.123 -0.063 2
1 1362 . 1 1 A 107 107 SER HA H 107 4.310 4.146 0.164 2
1 1365 . 1 1 A 107 107 SER C C 107 175.900 176.969 -1.069 2
1 1366 . 1 1 A 107 107 SER CA C 107 62.200 61.739 0.461 2
1 1367 . 1 1 A 107 107 SER CB C 107 62.500 62.841 -0.341 2
1 1368 . 1 1 A 107 107 SER N N 107 117.000 115.445 1.555 2
1 1369 . 1 1 A 108 108 LEU H H 108 7.950 8.204 -0.254 2
1 1370 . 1 1 A 108 108 LEU HA H 108 4.180 4.029 0.151 2
1 1380 . 1 1 A 108 108 LEU C C 108 180.600 179.023 1.577 2
1 1381 . 1 1 A 108 108 LEU CA C 108 57.900 58.038 -0.138 2
1 1382 . 1 1 A 108 108 LEU CB C 108 42.500 41.874 0.626 2
1 1386 . 1 1 A 108 108 LEU N N 108 121.800 121.199 0.601 2
1 1387 . 1 1 A 109 109 ILE H H 109 8.730 8.351 0.379 2
1 1388 . 1 1 A 109 109 ILE HA H 109 3.830 3.662 0.168 2
1 1398 . 1 1 A 109 109 ILE C C 109 176.800 178.205 -1.405 2
1 1399 . 1 1 A 109 109 ILE CA C 109 65.800 65.823 -0.023 2
1 1400 . 1 1 A 109 109 ILE CB C 109 38.600 37.760 0.840 2
1 1404 . 1 1 A 109 109 ILE N N 109 120.200 119.898 0.302 2
1 1405 . 1 1 A 110 110 GLU H H 110 7.960 8.692 -0.732 2
1 1406 . 1 1 A 110 110 GLU HA H 110 4.280 4.000 0.280 2
1 1411 . 1 1 A 110 110 GLU C C 110 178.500 178.503 -0.003 2
1 1412 . 1 1 A 110 110 GLU CA C 110 58.800 59.965 -1.165 2
1 1413 . 1 1 A 110 110 GLU CB C 110 28.200 29.245 -1.045 2
1 1415 . 1 1 A 110 110 GLU N N 110 120.800 121.371 -0.571 2
1 1416 . 1 1 A 111 111 ASP H H 111 8.290 8.073 0.217 2
1 1417 . 1 1 A 111 111 ASP HA H 111 4.470 4.481 -0.011 2
1 1420 . 1 1 A 111 111 ASP C C 111 178.200 178.580 -0.380 2
1 1421 . 1 1 A 111 111 ASP CA C 111 57.100 57.339 -0.239 2
1 1422 . 1 1 A 111 111 ASP CB C 111 39.300 40.581 -1.281 2
1 1423 . 1 1 A 111 111 ASP N N 111 119.200 120.583 -1.383 2
1 1424 . 1 1 A 112 112 SER H H 112 7.800 8.090 -0.290 2
1 1425 . 1 1 A 112 112 SER HA H 112 4.200 4.320 -0.120 2
1 1428 . 1 1 A 112 112 SER C C 112 178.600 176.539 2.061 2
1 1429 . 1 1 A 112 112 SER CA C 112 61.200 61.548 -0.348 2
1 1430 . 1 1 A 112 112 SER CB C 112 64.200 62.989 1.211 2
1 1431 . 1 1 A 112 112 SER N N 112 114.700 115.402 -0.702 2
1 1432 . 1 1 A 113 113 PHE H H 113 9.160 8.494 0.666 2
1 1433 . 1 1 A 113 113 PHE HA H 113 3.210 4.286 -1.076 2
1 1436 . 1 1 A 113 113 PHE C C 113 178.100 177.857 0.243 2
1 1437 . 1 1 A 113 113 PHE CA C 113 62.900 61.686 1.214 2
1 1438 . 1 1 A 113 113 PHE CB C 113 39.100 39.371 -0.271 2
1 1439 . 1 1 A 113 113 PHE N N 113 121.400 123.430 -2.030 2
1 1440 . 1 1 A 114 114 GLN H H 114 8.870 8.092 0.778 2
1 1441 . 1 1 A 114 114 GLN HA H 114 4.000 3.880 0.120 2
1 1448 . 1 1 A 114 114 GLN C C 114 179.700 178.539 1.161 2
1 1449 . 1 1 A 114 114 GLN CA C 114 58.300 58.729 -0.429 2
1 1450 . 1 1 A 114 114 GLN CB C 114 27.600 28.171 -0.571 2
1 1453 . 1 1 A 114 114 GLN N N 114 116.800 118.017 -1.217 2
1 1455 . 1 1 A 115 115 LEU H H 115 8.570 7.809 0.761 2
1 1456 . 1 1 A 115 115 LEU HA H 115 4.090 4.065 0.025 2
1 1466 . 1 1 A 115 115 LEU C C 115 178.600 178.043 0.557 2
1 1467 . 1 1 A 115 115 LEU CA C 115 57.300 57.386 -0.086 2
1 1468 . 1 1 A 115 115 LEU CB C 115 43.200 42.054 1.146 2
1 1472 . 1 1 A 115 115 LEU N N 115 119.800 120.292 -0.492 2
1 1473 . 1 1 A 116 116 THR H H 116 7.240 7.466 -0.226 2
1 1474 . 1 1 A 116 116 THR HA H 116 4.270 4.207 0.063 2
1 1480 . 1 1 A 116 116 THR C C 116 173.200 174.451 -1.251 2
1 1481 . 1 1 A 116 116 THR CA C 116 60.700 61.507 -0.807 2
1 1482 . 1 1 A 116 116 THR CB C 116 70.800 69.193 1.607 2
1 1484 . 1 1 A 116 116 THR N N 116 104.900 106.694 -1.794 2
1 1485 . 1 1 A 117 117 ARG H H 117 6.840 7.276 -0.436 2
1 1486 . 1 1 A 117 117 ARG HA H 117 3.060 3.747 -0.687 2
1 1494 . 1 1 A 117 117 ARG C C 117 175.200 175.970 -0.770 2
1 1495 . 1 1 A 117 117 ARG CA C 117 55.900 56.226 -0.326 2
1 1496 . 1 1 A 117 117 ARG CB C 117 31.100 30.225 0.875 2
1 1500 . 1 1 A 117 117 ARG N N 117 120.900 123.145 -2.245 2
1 1502 . 1 1 A 118 118 LEU H H 118 8.380 8.340 0.040 2
1 1503 . 1 1 A 118 118 LEU HA H 118 4.100 4.363 -0.263 2
1 1513 . 1 1 A 118 118 LEU C C 118 176.500 176.562 -0.062 2
1 1514 . 1 1 A 118 118 LEU CA C 118 55.300 54.974 0.326 2
1 1515 . 1 1 A 118 118 LEU CB C 118 42.400 42.534 -0.134 2
1 1519 . 1 1 A 118 118 LEU N N 118 122.600 123.564 -0.964 2
1 1520 . 1 1 A 119 119 GLU H H 119 8.330 8.727 -0.397 2
1 1521 . 1 1 A 119 119 GLU HA H 119 4.160 4.313 -0.153 2
1 1526 . 1 1 A 119 119 GLU C C 119 175.800 175.776 0.024 2
1 1527 . 1 1 A 119 119 GLU CA C 119 56.000 56.523 -0.523 2
1 1528 . 1 1 A 119 119 GLU CB C 119 30.300 29.535 0.765 2
1 1530 . 1 1 A 119 119 GLU N N 119 124.000 121.454 2.546 2
1 1531 . 1 1 A 120 120 HIS H H 120 8.520 8.311 0.209 2
1 1532 . 1 1 A 120 120 HIS HA H 120 4.620 4.617 0.003 2
1 1535 . 1 1 A 120 120 HIS C C 120 174.000 174.365 -0.365 2
1 1536 . 1 1 A 120 120 HIS CA C 120 55.300 56.224 -0.924 2
1 1537 . 1 1 A 120 120 HIS CB C 120 29.300 30.581 -1.281 2
1 1538 . 1 1 A 120 120 HIS N N 120 120.100 120.289 -0.189 2
1 1539 . 1 1 A 121 121 HIS H H 121 8.580 8.033 0.547 2
1 1540 . 1 1 A 121 121 HIS HA H 121 4.620 4.502 0.118 2
1 1543 . 1 1 A 121 121 HIS C C 121 173.500 175.004 -1.504 2
1 1544 . 1 1 A 121 121 HIS CA C 121 55.300 55.786 -0.486 2
1 1545 . 1 1 A 121 121 HIS CB C 121 29.200 30.398 -1.198 2
1 1546 . 1 1 A 121 121 HIS N N 121 120.800 119.178 1.622 2
1 1547 . 1 1 A 122 122 HIS H H 122 8.400 8.616 -0.216 2
1 1548 . 1 1 A 122 122 HIS HA H 122 4.620 4.486 0.134 2
1 1551 . 1 1 A 122 122 HIS CA C 122 55.300 56.808 -1.508 2
1 1552 . 1 1 A 122 122 HIS CB C 122 29.200 30.712 -1.512 2
1 1553 . 1 1 A 122 122 HIS N N 122 125.700 120.546 5.154 2
1 1554 . 1 1 A 123 123 HIS H H 123 8.690 8.227 0.463 2
1 1555 . 1 1 A 123 123 HIS HA H 123 4.640 4.536 0.104 2
1 1558 . 1 1 A 123 123 HIS C C 123 174.100 174.978 -0.878 2
1 1559 . 1 1 A 123 123 HIS CA C 123 55.300 56.230 -0.930 2
1 1560 . 1 1 A 123 123 HIS CB C 123 29.300 30.543 -1.243 2
1 1561 . 1 1 A 123 123 HIS N N 123 120.200 120.177 0.023 2
1 1562 . 1 1 A 124 124 HIS H H 124 8.710 8.350 0.360 2
1 1563 . 1 1 A 124 124 HIS HA H 124 4.640 4.533 0.107 2
1 1566 . 1 1 A 124 124 HIS C C 124 174.200 174.914 -0.714 2
1 1567 . 1 1 A 124 124 HIS CA C 124 55.300 56.762 -1.462 2
1 1568 . 1 1 A 124 124 HIS CB C 124 29.300 30.689 -1.389 2
stop_
save_