data_16371_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16371
_Entry.PDB_ID 2KKS
_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 13 . 1 1 1 A 2 2 ILE H H 2 8.780 8.417 0.363 1
1 14 . 1 1 1 A 2 2 ILE HA H 2 5.060 5.098 -0.038 1
1 24 . 1 1 1 A 2 2 ILE CA C 2 58.500 58.644 -0.144 1
1 25 . 1 1 1 A 2 2 ILE CB C 2 41.300 41.223 0.077 1
1 29 . 1 1 1 A 2 2 ILE N N 2 124.600 123.791 0.809 1
1 30 . 1 1 1 A 3 3 THR H H 3 8.280 8.715 -0.435 1
1 31 . 1 1 1 A 3 3 THR HA H 3 5.350 5.640 -0.290 1
1 36 . 1 1 1 A 3 3 THR CA C 3 60.900 61.619 -0.719 1
1 37 . 1 1 1 A 3 3 THR CB C 3 69.900 70.709 -0.809 1
1 39 . 1 1 1 A 3 3 THR N N 3 123.200 123.673 -0.473 1
1 40 . 1 1 1 A 4 4 LEU H H 4 8.710 8.792 -0.082 1
1 41 . 1 1 1 A 4 4 LEU HA H 4 5.040 5.139 -0.099 1
1 51 . 1 1 1 A 4 4 LEU CA C 4 53.800 53.295 0.505 1
1 52 . 1 1 1 A 4 4 LEU CB C 4 45.800 46.041 -0.241 1
1 56 . 1 1 1 A 4 4 LEU N N 4 127.600 122.237 5.363 1
1 57 . 1 1 1 A 5 5 THR H H 5 8.440 8.311 0.129 1
1 58 . 1 1 1 A 5 5 THR HA H 5 5.040 5.160 -0.120 1
1 63 . 1 1 1 A 5 5 THR CA C 5 59.300 60.286 -0.986 1
1 64 . 1 1 1 A 5 5 THR CB C 5 71.000 71.625 -0.625 1
1 66 . 1 1 1 A 5 5 THR N N 5 109.500 111.703 -2.203 1
1 67 . 1 1 1 A 6 6 LYS H H 6 8.730 8.593 0.137 1
1 68 . 1 1 1 A 6 6 LYS HA H 6 3.810 3.933 -0.123 1
1 77 . 1 1 1 A 6 6 LYS CA C 6 60.000 60.326 -0.326 1
1 78 . 1 1 1 A 6 6 LYS CB C 6 32.000 32.005 -0.005 1
1 82 . 1 1 1 A 6 6 LYS N N 6 121.500 122.541 -1.041 1
1 83 . 1 1 1 A 7 7 LYS H H 7 8.290 7.925 0.365 1
1 84 . 1 1 1 A 7 7 LYS HA H 7 3.990 3.944 0.046 1
1 93 . 1 1 1 A 7 7 LYS CA C 7 59.200 59.378 -0.178 1
1 94 . 1 1 1 A 7 7 LYS CB C 7 32.400 31.876 0.524 1
1 98 . 1 1 1 A 7 7 LYS N N 7 118.800 118.678 0.122 1
1 99 . 1 1 1 A 8 8 GLN H H 8 7.650 7.556 0.094 1
1 100 . 1 1 1 A 8 8 GLN HA H 8 3.890 3.994 -0.104 1
1 107 . 1 1 1 A 8 8 GLN CA C 8 58.100 59.014 -0.914 1
1 108 . 1 1 1 A 8 8 GLN CB C 8 27.400 28.531 -1.131 1
1 110 . 1 1 1 A 8 8 GLN N N 8 119.800 118.226 1.574 1
1 112 . 1 1 1 A 9 9 MET H H 9 8.130 8.086 0.044 1
1 113 . 1 1 1 A 9 9 MET HA H 9 4.130 3.930 0.200 1
1 121 . 1 1 1 A 9 9 MET CA C 9 57.500 58.425 -0.925 1
1 122 . 1 1 1 A 9 9 MET CB C 9 30.900 31.857 -0.957 1
1 125 . 1 1 1 A 9 9 MET N N 9 118.300 119.755 -1.455 1
1 126 . 1 1 1 A 10 10 GLU H H 10 8.460 8.340 0.120 1
1 127 . 1 1 1 A 10 10 GLU HA H 10 3.890 3.949 -0.059 1
1 132 . 1 1 1 A 10 10 GLU CA C 10 59.100 59.555 -0.455 1
1 133 . 1 1 1 A 10 10 GLU CB C 10 28.500 29.255 -0.755 1
1 135 . 1 1 1 A 10 10 GLU N N 10 118.500 118.017 0.483 1
1 136 . 1 1 1 A 11 11 GLU H H 11 8.200 8.273 -0.073 1
1 137 . 1 1 1 A 11 11 GLU HA H 11 4.070 4.055 0.015 1
1 142 . 1 1 1 A 11 11 GLU CA C 11 59.200 59.174 0.026 1
1 143 . 1 1 1 A 11 11 GLU CB C 11 28.900 29.427 -0.527 1
1 145 . 1 1 1 A 11 11 GLU N N 11 120.800 120.361 0.439 1
1 146 . 1 1 1 A 12 12 MET H H 12 7.780 8.396 -0.616 1
1 147 . 1 1 1 A 12 12 MET HA H 12 3.390 4.147 -0.757 1
1 155 . 1 1 1 A 12 12 MET CA C 12 60.600 58.560 2.040 1
1 156 . 1 1 1 A 12 12 MET CB C 12 33.900 32.891 1.009 1
1 159 . 1 1 1 A 12 12 MET N N 12 119.300 119.286 0.014 1
1 160 . 1 1 1 A 13 13 LEU H H 13 8.340 8.671 -0.331 1
1 161 . 1 1 1 A 13 13 LEU HA H 13 3.770 4.018 -0.248 1
1 171 . 1 1 1 A 13 13 LEU CA C 13 58.000 57.980 0.020 1
1 172 . 1 1 1 A 13 13 LEU CB C 13 41.400 41.564 -0.164 1
1 176 . 1 1 1 A 13 13 LEU N N 13 118.600 119.757 -1.157 1
1 177 . 1 1 1 A 14 14 ALA H H 14 8.620 8.441 0.179 1
1 178 . 1 1 1 A 14 14 ALA HA H 14 4.100 4.099 0.001 1
1 182 . 1 1 1 A 14 14 ALA CA C 14 55.200 54.970 0.230 1
1 183 . 1 1 1 A 14 14 ALA CB C 14 17.800 18.346 -0.546 1
1 184 . 1 1 1 A 14 14 ALA N N 14 121.500 120.762 0.738 1
1 185 . 1 1 1 A 15 15 HIS H H 15 7.780 7.956 -0.176 1
1 186 . 1 1 1 A 15 15 HIS HA H 15 4.460 4.283 0.177 1
1 190 . 1 1 1 A 15 15 HIS CA C 15 59.000 59.656 -0.656 1
1 191 . 1 1 1 A 15 15 HIS CB C 15 29.300 29.554 -0.254 1
1 193 . 1 1 1 A 15 15 HIS N N 15 116.700 117.948 -1.248 1
1 194 . 1 1 1 A 16 16 ALA H H 16 8.390 8.488 -0.098 1
1 195 . 1 1 1 A 16 16 ALA HA H 16 4.100 3.894 0.206 1
1 199 . 1 1 1 A 16 16 ALA CA C 16 54.500 55.343 -0.843 1
1 200 . 1 1 1 A 16 16 ALA CB C 16 18.200 18.084 0.116 1
1 201 . 1 1 1 A 16 16 ALA N N 16 120.000 121.226 -1.226 1
1 202 . 1 1 1 A 17 17 ARG H H 17 8.820 7.963 0.857 1
1 203 . 1 1 1 A 17 17 ARG HA H 17 3.890 4.024 -0.134 1
1 210 . 1 1 1 A 17 17 ARG CA C 17 59.900 59.543 0.357 1
1 211 . 1 1 1 A 17 17 ARG CB C 17 30.100 29.669 0.431 1
1 214 . 1 1 1 A 17 17 ARG N N 17 118.900 117.467 1.433 1
1 215 . 1 1 1 A 18 18 GLN H H 18 8.130 8.123 0.007 1
1 216 . 1 1 1 A 18 18 GLN HA H 18 4.060 4.049 0.011 1
1 223 . 1 1 1 A 18 18 GLN CA C 18 57.900 58.986 -1.086 1
1 224 . 1 1 1 A 18 18 GLN CB C 18 28.000 28.692 -0.692 1
1 226 . 1 1 1 A 18 18 GLN N N 18 118.100 118.997 -0.897 1
1 228 . 1 1 1 A 19 19 ALA H H 19 7.090 7.143 -0.053 1
1 229 . 1 1 1 A 19 19 ALA HA H 19 4.220 4.165 0.055 1
1 233 . 1 1 1 A 19 19 ALA CA C 19 52.300 53.255 -0.955 1
1 234 . 1 1 1 A 19 19 ALA CB C 19 20.600 19.159 1.441 1
1 235 . 1 1 1 A 19 19 ALA N N 19 117.600 120.279 -2.679 1
1 236 . 1 1 1 A 20 20 LEU H H 20 7.020 7.000 0.020 1
1 237 . 1 1 1 A 20 20 LEU HA H 20 4.110 4.489 -0.379 1
1 247 . 1 1 1 A 20 20 LEU CA C 20 54.600 54.041 0.559 1
1 248 . 1 1 1 A 20 20 LEU CB C 20 40.400 41.382 -0.982 1
1 252 . 1 1 1 A 20 20 LEU N N 20 117.900 121.791 -3.891 1
1 253 . 1 1 1 A 21 21 PRO HA H 21 4.320 4.569 -0.249 1
1 260 . 1 1 1 A 21 21 PRO CA C 21 63.700 63.692 0.008 1
1 261 . 1 1 1 A 21 21 PRO CB C 21 35.000 32.884 2.116 1
1 264 . 1 1 1 A 22 22 ASN H H 22 8.690 8.016 0.674 1
1 265 . 1 1 1 A 22 22 ASN HA H 22 4.570 4.947 -0.377 1
1 270 . 1 1 1 A 22 22 ASN CA C 22 52.400 52.545 -0.145 1
1 271 . 1 1 1 A 22 22 ASN CB C 22 40.000 39.653 0.347 1
1 272 . 1 1 1 A 22 22 ASN N N 22 122.000 120.221 1.779 1
1 274 . 1 1 1 A 23 23 GLU H H 23 8.540 8.459 0.081 1
1 275 . 1 1 1 A 23 23 GLU HA H 23 4.050 4.394 -0.344 1
1 280 . 1 1 1 A 23 23 GLU CA C 23 57.300 56.022 1.278 1
1 281 . 1 1 1 A 23 23 GLU CB C 23 29.000 30.820 -1.820 1
1 283 . 1 1 1 A 23 23 GLU N N 23 116.100 120.802 -4.702 1
1 284 . 1 1 1 A 24 24 ALA H H 24 8.390 8.568 -0.178 1
1 285 . 1 1 1 A 24 24 ALA HA H 24 5.040 5.063 -0.023 1
1 289 . 1 1 1 A 24 24 ALA CA C 24 48.900 50.452 -1.552 1
1 290 . 1 1 1 A 24 24 ALA CB C 24 23.200 20.123 3.077 1
1 291 . 1 1 1 A 24 24 ALA N N 24 124.800 124.561 0.239 1
1 292 . 1 1 1 A 25 25 CYS H H 25 8.910 8.992 -0.082 1
1 293 . 1 1 1 A 25 25 CYS HA H 25 5.000 5.405 -0.405 1
1 296 . 1 1 1 A 25 25 CYS CA C 25 55.000 56.992 -1.992 1
1 297 . 1 1 1 A 25 25 CYS CB C 25 32.600 31.123 1.477 1
1 298 . 1 1 1 A 25 25 CYS N N 25 111.700 121.192 -9.492 1
1 299 . 1 1 1 A 26 26 GLY H H 26 7.110 7.641 -0.531 1
1 300 . 1 1 1 A 26 26 GLY HA2 H 26 3.820 3.867 -0.047 1
1 301 . 1 1 1 A 26 26 GLY HA3 H 26 4.070 4.061 0.009 1
1 302 . 1 1 1 A 26 26 GLY CA C 26 46.500 45.697 0.803 1
1 303 . 1 1 1 A 26 26 GLY N N 26 103.200 106.487 -3.287 1
1 304 . 1 1 1 A 27 27 LEU H H 27 8.830 8.557 0.273 1
1 305 . 1 1 1 A 27 27 LEU HA H 27 5.200 5.266 -0.066 1
1 315 . 1 1 1 A 27 27 LEU CA C 27 53.200 53.448 -0.248 1
1 316 . 1 1 1 A 27 27 LEU CB C 27 46.600 46.087 0.513 1
1 320 . 1 1 1 A 27 27 LEU N N 27 116.700 121.639 -4.939 1
1 321 . 1 1 1 A 28 28 LEU H H 28 8.060 8.850 -0.790 1
1 322 . 1 1 1 A 28 28 LEU HA H 28 5.200 5.316 -0.116 1
1 332 . 1 1 1 A 28 28 LEU CA C 28 53.400 52.954 0.446 1
1 333 . 1 1 1 A 28 28 LEU CB C 28 44.900 45.058 -0.158 1
1 337 . 1 1 1 A 28 28 LEU N N 28 118.200 121.501 -3.301 1
1 338 . 1 1 1 A 29 29 GLY H H 29 9.210 9.312 -0.102 1
1 339 . 1 1 1 A 29 29 GLY HA2 H 29 3.750 4.291 -0.541 1
1 340 . 1 1 1 A 29 29 GLY HA3 H 29 5.800 4.487 1.313 1
1 341 . 1 1 1 A 29 29 GLY CA C 29 43.600 44.532 -0.932 1
1 342 . 1 1 1 A 29 29 GLY N N 29 109.500 112.153 -2.653 1
1 343 . 1 1 1 A 30 30 GLY H H 30 9.520 8.230 1.290 1
1 344 . 1 1 1 A 30 30 GLY HA2 H 30 3.210 3.550 -0.340 1
1 345 . 1 1 1 A 30 30 GLY HA3 H 30 4.800 4.033 0.767 1
1 346 . 1 1 1 A 30 30 GLY CA C 30 47.500 45.587 1.913 1
1 347 . 1 1 1 A 30 30 GLY N N 30 111.700 108.643 3.057 1
1 348 . 1 1 1 A 31 31 ARG H H 31 8.900 8.049 0.851 1
1 349 . 1 1 1 A 31 31 ARG HA H 31 5.170 5.057 0.113 1
1 356 . 1 1 1 A 31 31 ARG CA C 31 54.200 54.339 -0.139 1
1 357 . 1 1 1 A 31 31 ARG CB C 31 34.200 33.984 0.216 1
1 360 . 1 1 1 A 31 31 ARG N N 31 123.000 122.907 0.093 1
1 361 . 1 1 1 A 32 32 ARG H H 32 9.070 9.047 0.023 1
1 362 . 1 1 1 A 32 32 ARG HA H 32 5.140 5.593 -0.453 1
1 369 . 1 1 1 A 32 32 ARG CA C 32 54.700 54.555 0.145 1
1 370 . 1 1 1 A 32 32 ARG CB C 32 33.700 33.461 0.239 1
1 373 . 1 1 1 A 32 32 ARG N N 32 121.500 124.275 -2.775 1
1 374 . 1 1 1 A 33 33 ASP H H 33 8.640 9.014 -0.374 1
1 375 . 1 1 1 A 33 33 ASP HA H 33 4.850 5.013 -0.163 1
1 378 . 1 1 1 A 33 33 ASP CA C 33 53.400 53.722 -0.322 1
1 379 . 1 1 1 A 33 33 ASP CB C 33 42.100 44.030 -1.930 1
1 380 . 1 1 1 A 33 33 ASP N N 33 124.200 125.972 -1.772 1
1 381 . 1 1 1 A 34 34 GLY H H 34 9.020 9.416 -0.396 1
1 382 . 1 1 1 A 34 34 GLY HA2 H 34 3.670 3.926 -0.256 1
1 383 . 1 1 1 A 34 34 GLY HA3 H 34 4.000 3.942 0.058 1
1 384 . 1 1 1 A 34 34 GLY CA C 34 47.200 46.017 1.183 1
1 385 . 1 1 1 A 34 34 GLY N N 34 115.900 114.084 1.816 1
1 386 . 1 1 1 A 35 35 ASP H H 35 9.070 8.578 0.492 1
1 387 . 1 1 1 A 35 35 ASP HA H 35 4.650 4.440 0.210 1
1 390 . 1 1 1 A 35 35 ASP CA C 35 54.800 55.609 -0.809 1
1 391 . 1 1 1 A 35 35 ASP CB C 35 41.000 40.552 0.448 1
1 392 . 1 1 1 A 35 35 ASP N N 35 127.300 118.352 8.948 1
1 393 . 1 1 1 A 36 36 ASP H H 36 8.070 7.632 0.438 1
1 394 . 1 1 1 A 36 36 ASP HA H 36 4.950 4.544 0.406 1
1 397 . 1 1 1 A 36 36 ASP CA C 36 53.700 54.367 -0.667 1
1 398 . 1 1 1 A 36 36 ASP CB C 36 41.700 41.207 0.493 1
1 399 . 1 1 1 A 36 36 ASP N N 36 120.600 121.848 -1.248 1
1 400 . 1 1 1 A 37 37 ARG H H 37 8.070 7.886 0.184 1
1 401 . 1 1 1 A 37 37 ARG HA H 37 4.850 4.989 -0.139 1
1 408 . 1 1 1 A 37 37 ARG CA C 37 55.400 54.253 1.147 1
1 409 . 1 1 1 A 37 37 ARG CB C 37 32.900 33.643 -0.743 1
1 412 . 1 1 1 A 37 37 ARG N N 37 120.800 119.081 1.719 1
1 413 . 1 1 1 A 38 38 TRP H H 38 9.380 9.378 0.002 1
1 414 . 1 1 1 A 38 38 TRP HA H 38 4.840 5.509 -0.669 1
1 423 . 1 1 1 A 38 38 TRP CA C 38 57.000 55.441 1.559 1
1 424 . 1 1 1 A 38 38 TRP CB C 38 30.100 31.364 -1.264 1
1 430 . 1 1 1 A 38 38 TRP N N 38 124.900 122.755 2.145 1
1 432 . 1 1 1 A 39 39 VAL H H 39 8.450 9.259 -0.809 1
1 433 . 1 1 1 A 39 39 VAL HA H 39 3.390 4.019 -0.629 1
1 441 . 1 1 1 A 39 39 VAL CA C 39 64.500 63.060 1.440 1
1 442 . 1 1 1 A 39 39 VAL CB C 39 31.500 30.946 0.554 1
1 445 . 1 1 1 A 39 39 VAL N N 39 124.400 125.558 -1.158 1
1 446 . 1 1 1 A 40 40 GLU H H 40 9.080 8.399 0.681 1
1 447 . 1 1 1 A 40 40 GLU HA H 40 4.350 4.499 -0.149 1
1 452 . 1 1 1 A 40 40 GLU CA C 40 54.900 56.418 -1.518 1
1 453 . 1 1 1 A 40 40 GLU CB C 40 29.500 30.836 -1.336 1
1 455 . 1 1 1 A 40 40 GLU N N 40 124.200 126.776 -2.576 1
1 456 . 1 1 1 A 41 41 ARG H H 41 7.610 7.358 0.252 1
1 457 . 1 1 1 A 41 41 ARG HA H 41 4.070 4.863 -0.793 1
1 464 . 1 1 1 A 41 41 ARG CA C 41 56.800 55.493 1.307 1
1 465 . 1 1 1 A 41 41 ARG CB C 41 33.600 33.462 0.138 1
1 468 . 1 1 1 A 41 41 ARG N N 41 120.000 120.051 -0.051 1
1 469 . 1 1 1 A 42 42 VAL H H 42 8.460 8.264 0.196 1
1 470 . 1 1 1 A 42 42 VAL HA H 42 4.300 4.469 -0.169 1
1 478 . 1 1 1 A 42 42 VAL CA C 42 60.900 62.151 -1.251 1
1 479 . 1 1 1 A 42 42 VAL CB C 42 32.900 32.031 0.869 1
1 482 . 1 1 1 A 42 42 VAL N N 42 125.600 126.967 -1.367 1
1 483 . 1 1 1 A 43 43 TYR H H 43 9.070 9.053 0.017 1
1 484 . 1 1 1 A 43 43 TYR HA H 43 4.930 5.087 -0.157 1
1 491 . 1 1 1 A 43 43 TYR CA C 43 54.600 55.534 -0.934 1
1 492 . 1 1 1 A 43 43 TYR CB C 43 38.500 39.134 -0.634 1
1 495 . 1 1 1 A 43 43 TYR N N 43 124.800 126.985 -2.185 1
1 496 . 1 1 1 A 44 44 PRO HA H 44 4.260 4.303 -0.043 1
1 503 . 1 1 1 A 44 44 PRO CA C 44 63.200 62.258 0.942 1
1 504 . 1 1 1 A 44 44 PRO CB C 44 30.100 30.769 -0.669 1
1 507 . 1 1 1 A 45 45 LEU H H 45 8.270 8.903 -0.633 1
1 508 . 1 1 1 A 45 45 LEU HA H 45 4.930 4.455 0.475 1
1 518 . 1 1 1 A 45 45 LEU CA C 45 53.800 55.182 -1.382 1
1 519 . 1 1 1 A 45 45 LEU CB C 45 45.600 42.651 2.949 1
1 523 . 1 1 1 A 45 45 LEU N N 45 125.800 120.946 4.854 1
1 524 . 1 1 1 A 46 46 ASN H H 46 9.120 8.238 0.882 1
1 525 . 1 1 1 A 46 46 ASN HA H 46 4.630 5.056 -0.426 1
1 530 . 1 1 1 A 46 46 ASN CA C 46 56.000 53.773 2.227 1
1 531 . 1 1 1 A 46 46 ASN CB C 46 39.000 37.910 1.090 1
1 532 . 1 1 1 A 46 46 ASN N N 46 119.000 118.281 0.719 1
1 534 . 1 1 1 A 47 47 ASN H H 47 8.460 8.698 -0.238 1
1 535 . 1 1 1 A 47 47 ASN HA H 47 5.260 5.119 0.141 1
1 540 . 1 1 1 A 47 47 ASN CA C 47 51.200 53.061 -1.861 1
1 541 . 1 1 1 A 47 47 ASN CB C 47 37.700 38.665 -0.965 1
1 542 . 1 1 1 A 47 47 ASN N N 47 118.500 121.590 -3.090 1
1 544 . 1 1 1 A 48 48 LEU H H 48 8.890 8.676 0.214 1
1 545 . 1 1 1 A 48 48 LEU HA H 48 4.070 4.415 -0.345 1
1 555 . 1 1 1 A 48 48 LEU CA C 48 56.800 55.716 1.084 1
1 556 . 1 1 1 A 48 48 LEU CB C 48 41.600 41.582 0.018 1
1 560 . 1 1 1 A 48 48 LEU N N 48 127.100 128.098 -0.998 1
1 561 . 1 1 1 A 49 49 ASP H H 49 7.820 7.457 0.363 1
1 562 . 1 1 1 A 49 49 ASP HA H 49 4.430 4.741 -0.311 1
1 565 . 1 1 1 A 49 49 ASP CA C 49 54.500 52.249 2.251 1
1 566 . 1 1 1 A 49 49 ASP CB C 49 40.100 43.194 -3.094 1
1 567 . 1 1 1 A 49 49 ASP N N 49 115.700 121.605 -5.905 1
1 568 . 1 1 1 A 50 50 GLN H H 50 7.770 8.407 -0.637 1
1 569 . 1 1 1 A 50 50 GLN HA H 50 3.880 4.573 -0.693 1
1 576 . 1 1 1 A 50 50 GLN CA C 50 56.000 55.490 0.510 1
1 577 . 1 1 1 A 50 50 GLN CB C 50 27.400 30.290 -2.890 1
1 579 . 1 1 1 A 50 50 GLN N N 50 115.300 120.406 -5.106 1
1 581 . 1 1 1 A 51 51 SER H H 51 6.370 7.461 -1.091 1
1 582 . 1 1 1 A 51 51 SER HA H 51 5.210 4.508 0.702 1
1 585 . 1 1 1 A 51 51 SER CA C 51 53.700 57.291 -3.591 1
1 586 . 1 1 1 A 51 51 SER CB C 51 66.100 63.088 3.012 1
1 587 . 1 1 1 A 51 51 SER N N 51 109.000 116.696 -7.696 1
1 588 . 1 1 1 A 52 52 PRO HA H 52 4.830 4.631 0.199 1
1 595 . 1 1 1 A 52 52 PRO CA C 52 64.000 64.121 -0.121 1
1 596 . 1 1 1 A 52 52 PRO CB C 52 33.300 32.000 1.300 1
1 599 . 1 1 1 A 53 53 GLU H H 53 8.320 8.288 0.032 1
1 600 . 1 1 1 A 53 53 GLU HA H 53 4.510 4.662 -0.152 1
1 605 . 1 1 1 A 53 53 GLU CA C 53 55.700 57.339 -1.639 1
1 606 . 1 1 1 A 53 53 GLU CB C 53 32.400 32.315 0.085 1
1 608 . 1 1 1 A 53 53 GLU N N 53 113.900 116.085 -2.185 1
1 609 . 1 1 1 A 54 54 HIS H H 54 7.070 7.904 -0.834 1
1 610 . 1 1 1 A 54 54 HIS HA H 54 4.750 4.975 -0.225 1
1 614 . 1 1 1 A 54 54 HIS CA C 54 54.100 56.406 -2.306 1
1 615 . 1 1 1 A 54 54 HIS CB C 54 31.100 31.287 -0.187 1
1 617 . 1 1 1 A 54 54 HIS N N 54 112.500 117.842 -5.342 1
1 618 . 1 1 1 A 55 55 PHE H H 55 7.900 9.116 -1.216 1
1 619 . 1 1 1 A 55 55 PHE HA H 55 5.580 5.519 0.061 1
1 627 . 1 1 1 A 55 55 PHE CA C 55 55.400 54.943 0.457 1
1 628 . 1 1 1 A 55 55 PHE CB C 55 41.200 42.162 -0.962 1
1 632 . 1 1 1 A 55 55 PHE N N 55 114.900 118.610 -3.710 1
1 633 . 1 1 1 A 56 56 SER H H 56 7.690 8.789 -1.099 1
1 634 . 1 1 1 A 56 56 SER HA H 56 4.300 4.779 -0.479 1
1 637 . 1 1 1 A 56 56 SER CA C 56 57.800 55.862 1.938 1
1 638 . 1 1 1 A 56 56 SER CB C 56 65.300 65.751 -0.451 1
1 639 . 1 1 1 A 56 56 SER N N 56 112.900 115.999 -3.099 1
1 640 . 1 1 1 A 57 57 MET H H 57 8.750 8.701 0.049 1
1 641 . 1 1 1 A 57 57 MET HA H 57 4.860 4.682 0.178 1
1 649 . 1 1 1 A 57 57 MET CA C 57 54.400 54.585 -0.185 1
1 650 . 1 1 1 A 57 57 MET CB C 57 36.000 32.697 3.303 1
1 653 . 1 1 1 A 57 57 MET N N 57 120.000 123.659 -3.659 1
1 654 . 1 1 1 A 58 58 ASP H H 58 10.180 8.056 2.124 1
1 655 . 1 1 1 A 58 58 ASP HA H 58 4.740 4.348 0.392 1
1 658 . 1 1 1 A 58 58 ASP CA C 58 51.700 54.775 -3.075 1
1 659 . 1 1 1 A 58 58 ASP CB C 58 42.700 39.381 3.319 1
1 660 . 1 1 1 A 58 58 ASP N N 58 126.600 117.206 9.394 1
1 661 . 1 1 1 A 59 59 PRO HA H 59 4.400 4.250 0.150 1
1 668 . 1 1 1 A 59 59 PRO CA C 59 65.300 65.875 -0.575 1
1 669 . 1 1 1 A 59 59 PRO CB C 59 32.300 31.521 0.779 1
1 672 . 1 1 1 A 60 60 ARG H H 60 8.520 8.474 0.046 1
1 673 . 1 1 1 A 60 60 ARG HA H 60 4.120 4.017 0.103 1
1 680 . 1 1 1 A 60 60 ARG CA C 60 59.200 59.398 -0.198 1
1 681 . 1 1 1 A 60 60 ARG CB C 60 29.500 29.856 -0.356 1
1 684 . 1 1 1 A 60 60 ARG N N 60 118.700 118.784 -0.084 1
1 685 . 1 1 1 A 61 61 GLU H H 61 7.730 8.312 -0.582 1
1 686 . 1 1 1 A 61 61 GLU HA H 61 4.190 4.141 0.049 1
1 691 . 1 1 1 A 61 61 GLU CA C 61 59.000 59.334 -0.334 1
1 692 . 1 1 1 A 61 61 GLU CB C 61 30.200 29.157 1.043 1
1 694 . 1 1 1 A 61 61 GLU N N 61 119.800 119.648 0.152 1
1 695 . 1 1 1 A 62 62 GLN H H 62 8.220 8.187 0.033 1
1 696 . 1 1 1 A 62 62 GLN HA H 62 3.830 3.860 -0.030 1
1 703 . 1 1 1 A 62 62 GLN CA C 62 59.900 59.186 0.714 1
1 704 . 1 1 1 A 62 62 GLN CB C 62 29.000 28.066 0.934 1
1 706 . 1 1 1 A 62 62 GLN N N 62 118.700 119.392 -0.692 1
1 708 . 1 1 1 A 63 63 LEU H H 63 7.950 7.263 0.687 1
1 709 . 1 1 1 A 63 63 LEU HA H 63 4.110 4.073 0.037 1
1 719 . 1 1 1 A 63 63 LEU CA C 63 58.000 57.725 0.275 1
1 720 . 1 1 1 A 63 63 LEU CB C 63 41.400 41.725 -0.325 1
1 724 . 1 1 1 A 63 63 LEU N N 63 119.200 122.056 -2.856 1
1 725 . 1 1 1 A 64 64 THR H H 64 7.910 7.785 0.125 1
1 726 . 1 1 1 A 64 64 THR HA H 64 3.790 3.907 -0.117 1
1 731 . 1 1 1 A 64 64 THR CA C 64 66.800 66.522 0.278 1
1 732 . 1 1 1 A 64 64 THR CB C 64 68.700 68.494 0.206 1
1 734 . 1 1 1 A 64 64 THR N N 64 116.000 114.943 1.057 1
1 735 . 1 1 1 A 65 65 ALA H H 65 7.520 8.220 -0.700 1
1 736 . 1 1 1 A 65 65 ALA HA H 65 3.970 4.217 -0.247 1
1 740 . 1 1 1 A 65 65 ALA CA C 65 55.100 55.202 -0.102 1
1 741 . 1 1 1 A 65 65 ALA CB C 65 17.900 18.234 -0.334 1
1 742 . 1 1 1 A 65 65 ALA N N 65 125.200 124.048 1.152 1
1 743 . 1 1 1 A 66 66 VAL H H 66 8.420 8.147 0.273 1
1 744 . 1 1 1 A 66 66 VAL HA H 66 3.840 3.396 0.444 1
1 752 . 1 1 1 A 66 66 VAL CA C 66 66.200 67.137 -0.937 1
1 753 . 1 1 1 A 66 66 VAL CB C 66 31.700 31.418 0.282 1
1 756 . 1 1 1 A 66 66 VAL N N 66 119.300 118.879 0.421 1
1 757 . 1 1 1 A 67 67 LYS H H 67 8.570 7.719 0.851 1
1 758 . 1 1 1 A 67 67 LYS HA H 67 3.960 3.948 0.012 1
1 767 . 1 1 1 A 67 67 LYS CA C 67 60.300 58.879 1.421 1
1 768 . 1 1 1 A 67 67 LYS CB C 67 32.200 31.854 0.346 1
1 772 . 1 1 1 A 67 67 LYS N N 67 120.600 119.883 0.717 1
1 773 . 1 1 1 A 68 68 ASP H H 68 7.660 8.042 -0.382 1
1 774 . 1 1 1 A 68 68 ASP HA H 68 4.290 4.368 -0.078 1
1 777 . 1 1 1 A 68 68 ASP CA C 68 58.300 57.330 0.970 1
1 778 . 1 1 1 A 68 68 ASP CB C 68 42.700 41.236 1.464 1
1 779 . 1 1 1 A 68 68 ASP N N 68 121.500 119.538 1.962 1
1 780 . 1 1 1 A 69 69 MET H H 69 8.620 8.309 0.311 1
1 781 . 1 1 1 A 69 69 MET HA H 69 4.250 4.507 -0.257 1
1 789 . 1 1 1 A 69 69 MET CA C 69 60.300 59.024 1.276 1
1 790 . 1 1 1 A 69 69 MET CB C 69 32.700 31.954 0.746 1
1 793 . 1 1 1 A 69 69 MET N N 69 120.100 118.520 1.580 1
1 794 . 1 1 1 A 70 70 ARG H H 70 8.500 7.865 0.635 1
1 795 . 1 1 1 A 70 70 ARG HA H 70 4.110 4.131 -0.021 1
1 802 . 1 1 1 A 70 70 ARG CA C 70 59.200 58.834 0.366 1
1 803 . 1 1 1 A 70 70 ARG CB C 70 29.600 29.855 -0.255 1
1 806 . 1 1 1 A 70 70 ARG N N 70 119.000 119.289 -0.289 1
1 807 . 1 1 1 A 71 71 LYS H H 71 8.020 7.717 0.303 1
1 808 . 1 1 1 A 71 71 LYS HA H 71 3.970 3.995 -0.025 1
1 817 . 1 1 1 A 71 71 LYS CA C 71 58.800 59.144 -0.344 1
1 818 . 1 1 1 A 71 71 LYS CB C 71 32.000 32.424 -0.424 1
1 822 . 1 1 1 A 71 71 LYS N N 71 121.100 120.247 0.853 1
1 823 . 1 1 1 A 72 72 ASN H H 72 6.960 7.571 -0.611 1
1 824 . 1 1 1 A 72 72 ASN HA H 72 4.090 4.391 -0.301 1
1 829 . 1 1 1 A 72 72 ASN CA C 72 53.300 52.131 1.169 1
1 830 . 1 1 1 A 72 72 ASN CB C 72 39.000 38.506 0.494 1
1 831 . 1 1 1 A 72 72 ASN N N 72 114.600 113.378 1.222 1
1 833 . 1 1 1 A 73 73 GLY H H 73 7.560 8.217 -0.657 1
1 834 . 1 1 1 A 73 73 GLY HA2 H 73 3.890 3.881 0.009 1
1 835 . 1 1 1 A 73 73 GLY HA3 H 73 3.760 3.900 -0.140 1
1 836 . 1 1 1 A 73 73 GLY CA C 73 45.900 45.570 0.330 1
1 837 . 1 1 1 A 73 73 GLY N N 73 106.700 108.675 -1.975 1
1 838 . 1 1 1 A 74 74 TRP H H 74 8.240 7.796 0.444 1
1 839 . 1 1 1 A 74 74 TRP HA H 74 5.260 4.873 0.387 1
1 848 . 1 1 1 A 74 74 TRP CA C 74 53.100 57.222 -4.122 1
1 849 . 1 1 1 A 74 74 TRP CB C 74 31.400 32.174 -0.774 1
1 855 . 1 1 1 A 74 74 TRP N N 74 120.700 120.418 0.282 1
1 857 . 1 1 1 A 75 75 VAL H H 75 9.410 8.950 0.460 1
1 858 . 1 1 1 A 75 75 VAL HA H 75 4.800 4.889 -0.089 1
1 866 . 1 1 1 A 75 75 VAL CA C 75 58.500 59.131 -0.631 1
1 867 . 1 1 1 A 75 75 VAL CB C 75 35.500 35.569 -0.069 1
1 870 . 1 1 1 A 75 75 VAL N N 75 112.100 116.303 -4.203 1
1 871 . 1 1 1 A 76 76 MET H H 76 8.800 8.643 0.157 1
1 872 . 1 1 1 A 76 76 MET HA H 76 4.650 4.591 0.059 1
1 880 . 1 1 1 A 76 76 MET CA C 76 56.900 55.043 1.857 1
1 881 . 1 1 1 A 76 76 MET CB C 76 32.600 33.446 -0.846 1
1 884 . 1 1 1 A 76 76 MET N N 76 122.400 122.907 -0.507 1
1 885 . 1 1 1 A 77 77 LEU H H 77 8.780 9.173 -0.393 1
1 886 . 1 1 1 A 77 77 LEU HA H 77 4.480 4.486 -0.006 1
1 896 . 1 1 1 A 77 77 LEU CA C 77 54.100 56.092 -1.992 1
1 897 . 1 1 1 A 77 77 LEU CB C 77 44.700 42.559 2.141 1
1 901 . 1 1 1 A 77 77 LEU N N 77 125.600 127.465 -1.865 1
1 902 . 1 1 1 A 78 78 GLY H H 78 7.590 6.899 0.691 1
1 903 . 1 1 1 A 78 78 GLY HA2 H 78 5.150 4.006 1.144 1
1 904 . 1 1 1 A 78 78 GLY HA3 H 78 3.660 4.020 -0.360 1
1 905 . 1 1 1 A 78 78 GLY CA C 78 45.700 45.641 0.059 1
1 906 . 1 1 1 A 78 78 GLY N N 78 102.900 103.847 -0.947 1
1 907 . 1 1 1 A 79 79 ASN H H 79 8.520 8.796 -0.276 1
1 908 . 1 1 1 A 79 79 ASN HA H 79 5.230 5.566 -0.336 1
1 913 . 1 1 1 A 79 79 ASN CA C 79 51.100 51.428 -0.328 1
1 914 . 1 1 1 A 79 79 ASN CB C 79 41.500 42.568 -1.068 1
1 915 . 1 1 1 A 79 79 ASN N N 79 115.600 116.957 -1.357 1
1 917 . 1 1 1 A 80 80 PHE H H 80 8.410 8.680 -0.270 1
1 918 . 1 1 1 A 80 80 PHE HA H 80 6.120 5.802 0.318 1
1 926 . 1 1 1 A 80 80 PHE CA C 80 54.500 56.136 -1.636 1
1 927 . 1 1 1 A 80 80 PHE CB C 80 44.800 43.081 1.719 1
1 931 . 1 1 1 A 80 80 PHE N N 80 113.100 116.165 -3.065 1
1 932 . 1 1 1 A 81 81 HIS H H 81 8.310 9.422 -1.112 1
1 933 . 1 1 1 A 81 81 HIS HA H 81 5.300 5.917 -0.617 1
1 938 . 1 1 1 A 81 81 HIS CA C 81 54.400 54.259 0.141 1
1 939 . 1 1 1 A 81 81 HIS CB C 81 30.300 32.461 -2.161 1
1 942 . 1 1 1 A 81 81 HIS N N 81 111.600 116.071 -4.471 1
1 943 . 1 1 1 A 82 82 SER H H 82 8.390 9.058 -0.668 1
1 944 . 1 1 1 A 82 82 SER HA H 82 5.510 4.987 0.523 1
1 947 . 1 1 1 A 82 82 SER CA C 82 54.800 57.304 -2.504 1
1 948 . 1 1 1 A 82 82 SER CB C 82 66.700 65.342 1.358 1
1 949 . 1 1 1 A 82 82 SER N N 82 112.700 117.468 -4.768 1
1 950 . 1 1 1 A 83 83 HIS H H 83 8.890 8.406 0.484 1
1 951 . 1 1 1 A 83 83 HIS HA H 83 5.480 4.752 0.728 1
1 956 . 1 1 1 A 83 83 HIS CA C 83 49.900 54.945 -5.045 1
1 957 . 1 1 1 A 83 83 HIS CB C 83 32.000 30.231 1.769 1
1 960 . 1 1 1 A 83 83 HIS N N 83 115.200 122.753 -7.553 1
1 961 . 1 1 1 A 84 84 PRO HA H 84 3.940 4.345 -0.405 1
1 968 . 1 1 1 A 84 84 PRO CA C 84 65.600 65.834 -0.234 1
1 969 . 1 1 1 A 84 84 PRO CB C 84 33.300 31.588 1.712 1
1 972 . 1 1 1 A 85 85 ALA H H 85 8.410 8.302 0.108 1
1 973 . 1 1 1 A 85 85 ALA HA H 85 4.670 4.593 0.077 1
1 977 . 1 1 1 A 85 85 ALA CA C 85 51.300 51.950 -0.650 1
1 978 . 1 1 1 A 85 85 ALA CB C 85 21.200 20.591 0.609 1
1 979 . 1 1 1 A 85 85 ALA N N 85 112.800 118.993 -6.193 1
1 980 . 1 1 1 A 86 86 THR H H 86 7.070 7.459 -0.389 1
1 981 . 1 1 1 A 86 86 THR HA H 86 4.960 4.913 0.047 1
1 986 . 1 1 1 A 86 86 THR CA C 86 58.600 58.866 -0.266 1
1 987 . 1 1 1 A 86 86 THR CB C 86 69.500 69.854 -0.354 1
1 989 . 1 1 1 A 86 86 THR N N 86 109.200 109.056 0.144 1
1 990 . 1 1 1 A 87 87 PRO HA H 87 4.630 5.144 -0.514 1
1 997 . 1 1 1 A 87 87 PRO CA C 87 62.700 62.342 0.358 1
1 998 . 1 1 1 A 87 87 PRO CB C 87 33.500 32.816 0.684 1
1 1001 . 1 1 1 A 88 88 ALA H H 88 9.760 8.369 1.391 1
1 1002 . 1 1 1 A 88 88 ALA HA H 88 3.960 4.461 -0.501 1
1 1006 . 1 1 1 A 88 88 ALA CA C 88 51.700 51.352 0.348 1
1 1007 . 1 1 1 A 88 88 ALA CB C 88 16.300 19.715 -3.415 1
1 1008 . 1 1 1 A 88 88 ALA N N 88 127.600 122.684 4.916 1
1 1009 . 1 1 1 A 89 89 ARG H H 89 7.570 8.752 -1.182 1
1 1010 . 1 1 1 A 89 89 ARG HA H 89 4.280 3.251 1.029 1
1 1017 . 1 1 1 A 89 89 ARG CA C 89 53.200 56.898 -3.698 1
1 1018 . 1 1 1 A 89 89 ARG CB C 89 31.300 29.117 2.183 1
1 1021 . 1 1 1 A 89 89 ARG N N 89 118.300 115.452 2.848 1
1 1022 . 1 1 1 A 90 90 PRO HA H 90 4.510 4.589 -0.079 1
1 1029 . 1 1 1 A 90 90 PRO CA C 90 62.900 62.262 0.638 1
1 1030 . 1 1 1 A 90 90 PRO CB C 90 31.300 32.481 -1.181 1
1 1033 . 1 1 1 A 91 91 SER H H 91 9.630 8.644 0.986 1
1 1034 . 1 1 1 A 91 91 SER HA H 91 4.600 4.693 -0.093 1
1 1037 . 1 1 1 A 91 91 SER CA C 91 56.500 57.148 -0.648 1
1 1038 . 1 1 1 A 91 91 SER CB C 91 66.000 64.767 1.233 1
1 1039 . 1 1 1 A 91 91 SER N N 91 122.500 117.517 4.983 1
1 1040 . 1 1 1 A 92 92 ALA H H 92 8.910 9.050 -0.140 1
1 1041 . 1 1 1 A 92 92 ALA HA H 92 3.980 4.010 -0.030 1
1 1045 . 1 1 1 A 92 92 ALA CA C 92 55.900 55.368 0.532 1
1 1046 . 1 1 1 A 92 92 ALA CB C 92 17.800 18.188 -0.388 1
1 1047 . 1 1 1 A 92 92 ALA N N 92 123.000 127.514 -4.514 1
1 1048 . 1 1 1 A 93 93 GLU H H 93 8.370 7.993 0.377 1
1 1049 . 1 1 1 A 93 93 GLU HA H 93 4.070 4.078 -0.008 1
1 1054 . 1 1 1 A 93 93 GLU CA C 93 58.900 59.297 -0.397 1
1 1055 . 1 1 1 A 93 93 GLU CB C 93 28.800 29.082 -0.282 1
1 1057 . 1 1 1 A 93 93 GLU N N 93 118.800 117.299 1.501 1
1 1058 . 1 1 1 A 94 94 ASP H H 94 7.770 8.335 -0.565 1
1 1059 . 1 1 1 A 94 94 ASP HA H 94 4.260 3.968 0.292 1
1 1062 . 1 1 1 A 94 94 ASP CA C 94 57.100 57.232 -0.132 1
1 1063 . 1 1 1 A 94 94 ASP CB C 94 40.200 41.658 -1.458 1
1 1064 . 1 1 1 A 94 94 ASP N N 94 119.200 118.636 0.564 1
1 1065 . 1 1 1 A 95 95 LYS H H 95 7.830 8.231 -0.401 1
1 1066 . 1 1 1 A 95 95 LYS HA H 95 3.720 3.840 -0.120 1
1 1075 . 1 1 1 A 95 95 LYS CA C 95 59.500 59.038 0.462 1
1 1076 . 1 1 1 A 95 95 LYS CB C 95 31.900 31.770 0.130 1
1 1080 . 1 1 1 A 95 95 LYS N N 95 116.400 119.407 -3.007 1
1 1081 . 1 1 1 A 96 96 ARG H H 96 7.570 7.769 -0.199 1
1 1082 . 1 1 1 A 96 96 ARG HA H 96 3.940 3.960 -0.020 1
1 1089 . 1 1 1 A 96 96 ARG CA C 96 58.500 58.110 0.390 1
1 1090 . 1 1 1 A 96 96 ARG CB C 96 30.100 30.180 -0.080 1
1 1093 . 1 1 1 A 96 96 ARG N N 96 119.400 118.374 1.026 1
1 1094 . 1 1 1 A 97 97 LEU H H 97 7.270 7.219 0.051 1
1 1095 . 1 1 1 A 97 97 LEU HA H 97 4.030 3.772 0.258 1
1 1105 . 1 1 1 A 97 97 LEU CA C 97 54.400 55.392 -0.992 1
1 1106 . 1 1 1 A 97 97 LEU CB C 97 41.600 41.261 0.339 1
1 1110 . 1 1 1 A 97 97 LEU N N 97 116.100 116.971 -0.871 1
1 1111 . 1 1 1 A 98 98 ALA H H 98 6.950 7.204 -0.254 1
1 1112 . 1 1 1 A 98 98 ALA HA H 98 4.230 4.315 -0.085 1
1 1116 . 1 1 1 A 98 98 ALA CA C 98 50.800 51.197 -0.397 1
1 1117 . 1 1 1 A 98 98 ALA CB C 98 16.700 18.710 -2.010 1
1 1118 . 1 1 1 A 98 98 ALA N N 98 124.800 122.322 2.478 1
1 1119 . 1 1 1 A 99 99 PHE H H 99 7.630 8.334 -0.704 1
1 1120 . 1 1 1 A 99 99 PHE HA H 99 4.490 4.684 -0.194 1
1 1128 . 1 1 1 A 99 99 PHE CA C 99 58.200 57.186 1.014 1
1 1129 . 1 1 1 A 99 99 PHE CB C 99 39.500 38.399 1.101 1
1 1133 . 1 1 1 A 99 99 PHE N N 99 120.400 123.102 -2.702 1
1 1134 . 1 1 1 A 100 100 ASP H H 100 7.320 7.635 -0.315 1
1 1135 . 1 1 1 A 100 100 ASP HA H 100 5.240 5.192 0.048 1
1 1138 . 1 1 1 A 100 100 ASP CA C 100 49.900 51.519 -1.619 1
1 1139 . 1 1 1 A 100 100 ASP CB C 100 42.200 42.379 -0.179 1
1 1140 . 1 1 1 A 100 100 ASP N N 100 118.200 118.326 -0.126 1
1 1141 . 1 1 1 A 101 101 PRO HA H 101 5.040 4.461 0.579 1
1 1148 . 1 1 1 A 101 101 PRO CA C 101 64.200 64.904 -0.704 1
1 1149 . 1 1 1 A 101 101 PRO CB C 101 32.800 32.045 0.755 1
1 1152 . 1 1 1 A 102 102 SER H H 102 8.950 7.907 1.043 1
1 1153 . 1 1 1 A 102 102 SER HA H 102 4.530 5.621 -1.091 1
1 1156 . 1 1 1 A 102 102 SER CA C 102 59.300 57.093 2.207 1
1 1157 . 1 1 1 A 102 102 SER CB C 102 64.500 63.808 0.692 1
1 1158 . 1 1 1 A 102 102 SER N N 102 117.700 112.125 5.575 1
1 1159 . 1 1 1 A 103 103 LEU H H 103 6.850 8.607 -1.757 1
1 1160 . 1 1 1 A 103 103 LEU HA H 103 4.200 4.539 -0.339 1
1 1170 . 1 1 1 A 103 103 LEU CA C 103 53.700 54.637 -0.937 1
1 1171 . 1 1 1 A 103 103 LEU CB C 103 41.800 42.196 -0.396 1
1 1175 . 1 1 1 A 103 103 LEU N N 103 121.100 124.135 -3.035 1
1 1176 . 1 1 1 A 104 104 SER H H 104 8.080 8.755 -0.675 1
1 1177 . 1 1 1 A 104 104 SER HA H 104 4.310 4.907 -0.597 1
1 1180 . 1 1 1 A 104 104 SER CA C 104 60.300 58.214 2.086 1
1 1181 . 1 1 1 A 104 104 SER CB C 104 63.300 63.848 -0.548 1
1 1182 . 1 1 1 A 104 104 SER N N 104 116.100 118.014 -1.914 1
1 1183 . 1 1 1 A 105 105 TYR H H 105 8.790 9.881 -1.091 1
1 1184 . 1 1 1 A 105 105 TYR HA H 105 4.750 5.308 -0.558 1
1 1191 . 1 1 1 A 105 105 TYR CA C 105 57.100 56.702 0.398 1
1 1192 . 1 1 1 A 105 105 TYR CB C 105 37.700 39.660 -1.960 1
1 1195 . 1 1 1 A 105 105 TYR N N 105 122.700 126.212 -3.512 1
1 1196 . 1 1 1 A 106 106 LEU H H 106 8.750 9.259 -0.509 1
1 1197 . 1 1 1 A 106 106 LEU HA H 106 5.290 5.121 0.169 1
1 1207 . 1 1 1 A 106 106 LEU CA C 106 56.000 53.834 2.166 1
1 1208 . 1 1 1 A 106 106 LEU CB C 106 43.400 42.192 1.208 1
1 1212 . 1 1 1 A 106 106 LEU N N 106 125.200 125.791 -0.591 1
1 1213 . 1 1 1 A 107 107 ILE H H 107 9.480 8.764 0.716 1
1 1214 . 1 1 1 A 107 107 ILE HA H 107 4.630 4.963 -0.333 1
1 1224 . 1 1 1 A 107 107 ILE CA C 107 59.700 60.092 -0.392 1
1 1225 . 1 1 1 A 107 107 ILE CB C 107 40.500 39.347 1.153 1
1 1229 . 1 1 1 A 107 107 ILE N N 107 123.800 125.426 -1.626 1
1 1230 . 1 1 1 A 108 108 ILE H H 108 7.820 8.817 -0.997 1
1 1231 . 1 1 1 A 108 108 ILE HA H 108 4.950 5.105 -0.155 1
1 1241 . 1 1 1 A 108 108 ILE CA C 108 58.600 59.912 -1.312 1
1 1242 . 1 1 1 A 108 108 ILE CB C 108 41.700 39.845 1.855 1
1 1246 . 1 1 1 A 108 108 ILE N N 108 125.200 129.692 -4.492 1
1 1247 . 1 1 1 A 109 109 SER H H 109 9.780 8.785 0.995 1
1 1248 . 1 1 1 A 109 109 SER HA H 109 5.430 4.713 0.717 1
1 1251 . 1 1 1 A 109 109 SER CA C 109 56.400 56.415 -0.015 1
1 1252 . 1 1 1 A 109 109 SER CB C 109 64.900 63.558 1.342 1
1 1253 . 1 1 1 A 109 109 SER N N 109 120.300 121.589 -1.289 1
1 1254 . 1 1 1 A 110 110 LEU H H 110 8.110 8.305 -0.195 1
1 1255 . 1 1 1 A 110 110 LEU HA H 110 4.630 4.640 -0.010 1
1 1265 . 1 1 1 A 110 110 LEU CA C 110 53.300 54.586 -1.286 1
1 1266 . 1 1 1 A 110 110 LEU CB C 110 41.100 41.839 -0.739 1
1 1270 . 1 1 1 A 110 110 LEU N N 110 130.700 129.963 0.737 1
1 1271 . 1 1 1 A 111 111 ALA H H 111 7.390 8.236 -0.846 1
1 1272 . 1 1 1 A 111 111 ALA HA H 111 3.920 4.141 -0.221 1
1 1276 . 1 1 1 A 111 111 ALA CA C 111 55.200 54.272 0.928 1
1 1277 . 1 1 1 A 111 111 ALA CB C 111 17.900 18.938 -1.038 1
1 1278 . 1 1 1 A 111 111 ALA N N 111 121.000 122.473 -1.473 1
1 1279 . 1 1 1 A 112 112 GLU H H 112 8.290 7.805 0.485 1
1 1280 . 1 1 1 A 112 112 GLU HA H 112 4.830 4.834 -0.004 1
1 1285 . 1 1 1 A 112 112 GLU CA C 112 52.600 53.098 -0.498 1
1 1286 . 1 1 1 A 112 112 GLU CB C 112 29.300 32.991 -3.691 1
1 1288 . 1 1 1 A 112 112 GLU N N 112 116.400 116.301 0.099 1
1 1289 . 1 1 1 A 113 113 PRO HA H 113 3.940 4.499 -0.559 1
1 1296 . 1 1 1 A 113 113 PRO CA C 113 65.600 64.272 1.328 1
1 1297 . 1 1 1 A 113 113 PRO CB C 113 31.900 32.033 -0.133 1
1 1300 . 1 1 1 A 114 114 GLN H H 114 8.610 8.686 -0.076 1
1 1301 . 1 1 1 A 114 114 GLN HA H 114 4.250 4.147 0.103 1
1 1308 . 1 1 1 A 114 114 GLN CA C 114 56.100 57.676 -1.576 1
1 1309 . 1 1 1 A 114 114 GLN CB C 114 28.300 29.224 -0.924 1
1 1311 . 1 1 1 A 114 114 GLN N N 114 113.500 117.273 -3.773 1
1 1313 . 1 1 1 A 115 115 LYS H H 115 8.040 7.787 0.253 1
1 1314 . 1 1 1 A 115 115 LYS HA H 115 4.620 4.744 -0.124 1
1 1323 . 1 1 1 A 115 115 LYS CA C 115 53.500 53.702 -0.202 1
1 1324 . 1 1 1 A 115 115 LYS CB C 115 33.400 33.392 0.008 1
1 1328 . 1 1 1 A 115 115 LYS N N 115 121.000 119.185 1.815 1
1 1329 . 1 1 1 A 116 116 PRO HA H 116 4.560 5.247 -0.687 1
1 1336 . 1 1 1 A 116 116 PRO CA C 116 62.900 62.368 0.532 1
1 1337 . 1 1 1 A 116 116 PRO CB C 116 32.500 31.804 0.696 1
1 1340 . 1 1 1 A 117 117 VAL H H 117 7.850 8.368 -0.518 1
1 1341 . 1 1 1 A 117 117 VAL HA H 117 4.360 4.136 0.224 1
1 1349 . 1 1 1 A 117 117 VAL CA C 117 61.200 62.062 -0.862 1
1 1350 . 1 1 1 A 117 117 VAL CB C 117 35.900 31.197 4.703 1
1 1353 . 1 1 1 A 117 117 VAL N N 117 120.600 123.149 -2.549 1
1 1354 . 1 1 1 A 118 118 CYS H H 118 8.820 9.022 -0.202 1
1 1355 . 1 1 1 A 118 118 CYS HA H 118 5.340 5.347 -0.007 1
1 1358 . 1 1 1 A 118 118 CYS CA C 118 56.400 57.093 -0.693 1
1 1359 . 1 1 1 A 118 118 CYS CB C 118 28.700 28.672 0.028 1
1 1360 . 1 1 1 A 118 118 CYS N N 118 127.100 126.216 0.884 1
1 1361 . 1 1 1 A 119 119 LYS H H 119 8.530 8.854 -0.324 1
1 1362 . 1 1 1 A 119 119 LYS HA H 119 4.590 4.800 -0.210 1
1 1371 . 1 1 1 A 119 119 LYS CA C 119 54.900 54.598 0.302 1
1 1372 . 1 1 1 A 119 119 LYS CB C 119 39.600 36.745 2.855 1
1 1376 . 1 1 1 A 119 119 LYS N N 119 126.400 124.510 1.890 1
1 1377 . 1 1 1 A 120 120 SER H H 120 8.220 7.822 0.398 1
1 1378 . 1 1 1 A 120 120 SER HA H 120 4.870 4.886 -0.016 1
1 1381 . 1 1 1 A 120 120 SER CA C 120 56.300 57.293 -0.993 1
1 1382 . 1 1 1 A 120 120 SER CB C 120 63.300 64.033 -0.733 1
1 1383 . 1 1 1 A 120 120 SER N N 120 114.500 117.865 -3.365 1
1 1384 . 1 1 1 A 121 121 PHE H H 121 8.450 9.658 -1.208 1
1 1385 . 1 1 1 A 121 121 PHE HA H 121 5.160 5.254 -0.094 1
1 1393 . 1 1 1 A 121 121 PHE CA C 121 57.200 56.394 0.806 1
1 1394 . 1 1 1 A 121 121 PHE CB C 121 42.700 41.285 1.415 1
1 1398 . 1 1 1 A 121 121 PHE N N 121 124.400 125.536 -1.136 1
1 1399 . 1 1 1 A 122 122 LEU H H 122 9.070 9.789 -0.719 1
1 1400 . 1 1 1 A 122 122 LEU HA H 122 5.270 5.061 0.209 1
1 1410 . 1 1 1 A 122 122 LEU CA C 122 53.300 53.738 -0.438 1
1 1411 . 1 1 1 A 122 122 LEU CB C 122 42.200 42.119 0.081 1
1 1415 . 1 1 1 A 122 122 LEU N N 122 120.900 124.048 -3.148 1
1 1416 . 1 1 1 A 123 123 ILE H H 123 9.730 8.430 1.300 1
1 1417 . 1 1 1 A 123 123 ILE HA H 123 4.290 4.508 -0.218 1
1 1427 . 1 1 1 A 123 123 ILE CA C 123 61.400 60.797 0.603 1
1 1428 . 1 1 1 A 123 123 ILE CB C 123 38.000 37.106 0.894 1
1 1432 . 1 1 1 A 123 123 ILE N N 123 125.900 125.686 0.214 1
1 1433 . 1 1 1 A 124 124 LYS H H 124 8.080 8.917 -0.837 1
1 1434 . 1 1 1 A 124 124 LYS HA H 124 4.720 4.802 -0.082 1
1 1443 . 1 1 1 A 124 124 LYS CA C 124 54.100 54.450 -0.350 1
1 1444 . 1 1 1 A 124 124 LYS CB C 124 34.700 34.862 -0.162 1
1 1448 . 1 1 1 A 124 124 LYS N N 124 124.600 127.947 -3.347 1
1 1449 . 1 1 1 A 125 125 LYS H H 125 8.830 8.931 -0.101 1
1 1450 . 1 1 1 A 125 125 LYS HA H 125 4.000 3.882 0.118 1
1 1459 . 1 1 1 A 125 125 LYS CA C 125 59.000 60.233 -1.233 1
1 1460 . 1 1 1 A 125 125 LYS CB C 125 31.700 32.222 -0.522 1
1 1464 . 1 1 1 A 125 125 LYS N N 125 120.900 123.624 -2.724 1
1 1465 . 1 1 1 A 126 126 ASP H H 126 8.160 7.966 0.194 1
1 1466 . 1 1 1 A 126 126 ASP HA H 126 4.650 4.457 0.193 1
1 1469 . 1 1 1 A 126 126 ASP CA C 126 53.100 55.296 -2.196 1
1 1470 . 1 1 1 A 126 126 ASP CB C 126 40.300 40.937 -0.637 1
1 1471 . 1 1 1 A 126 126 ASP N N 126 113.200 118.855 -5.655 1
1 1472 . 1 1 1 A 127 127 GLY H H 127 7.370 7.341 0.029 1
1 1473 . 1 1 1 A 127 127 GLY HA2 H 127 4.300 4.056 0.244 1
1 1474 . 1 1 1 A 127 127 GLY HA3 H 127 3.900 4.066 -0.166 1
1 1475 . 1 1 1 A 127 127 GLY CA C 127 45.200 45.349 -0.149 1
1 1476 . 1 1 1 A 127 127 GLY N N 127 107.600 105.561 2.039 1
1 1477 . 1 1 1 A 128 128 VAL H H 128 8.130 8.385 -0.255 1
1 1478 . 1 1 1 A 128 128 VAL HA H 128 4.900 5.061 -0.161 1
1 1486 . 1 1 1 A 128 128 VAL CA C 128 60.900 60.320 0.580 1
1 1487 . 1 1 1 A 128 128 VAL CB C 128 34.000 34.203 -0.203 1
1 1490 . 1 1 1 A 128 128 VAL N N 128 118.900 119.985 -1.085 1
1 1491 . 1 1 1 A 129 129 ASP H H 129 9.250 9.127 0.123 1
1 1492 . 1 1 1 A 129 129 ASP HA H 129 5.220 5.237 -0.017 1
1 1495 . 1 1 1 A 129 129 ASP CA C 129 52.300 52.826 -0.526 1
1 1496 . 1 1 1 A 129 129 ASP CB C 129 43.600 44.601 -1.001 1
1 1497 . 1 1 1 A 129 129 ASP N N 129 126.500 128.585 -2.085 1
1 1498 . 1 1 1 A 130 130 GLU H H 130 8.900 8.779 0.121 1
1 1499 . 1 1 1 A 130 130 GLU HA H 130 4.420 4.913 -0.493 1
1 1504 . 1 1 1 A 130 130 GLU CA C 130 56.400 55.660 0.740 1
1 1505 . 1 1 1 A 130 130 GLU CB C 130 29.800 30.631 -0.831 1
1 1507 . 1 1 1 A 130 130 GLU N N 130 124.000 123.078 0.922 1
1 1508 . 1 1 1 A 131 131 GLU H H 131 8.860 9.236 -0.376 1
1 1509 . 1 1 1 A 131 131 GLU HA H 131 4.430 4.921 -0.491 1
1 1514 . 1 1 1 A 131 131 GLU CA C 131 53.500 54.910 -1.410 1
1 1515 . 1 1 1 A 131 131 GLU CB C 131 32.500 32.702 -0.202 1
1 1517 . 1 1 1 A 131 131 GLU N N 131 129.200 125.103 4.097 1
1 1518 . 1 1 1 A 132 132 GLU H H 132 8.610 8.750 -0.140 1
1 1519 . 1 1 1 A 132 132 GLU HA H 132 4.050 4.573 -0.523 1
1 1524 . 1 1 1 A 132 132 GLU CA C 132 57.100 56.063 1.037 1
1 1525 . 1 1 1 A 132 132 GLU CB C 132 30.100 30.920 -0.820 1
1 1527 . 1 1 1 A 132 132 GLU N N 132 126.400 127.039 -0.639 1
1 1528 . 1 1 1 A 133 133 ILE H H 133 8.200 8.681 -0.481 1
1 1529 . 1 1 1 A 133 133 ILE HA H 133 4.740 4.608 0.132 1
1 1539 . 1 1 1 A 133 133 ILE CA C 133 60.000 59.453 0.547 1
1 1540 . 1 1 1 A 133 133 ILE CB C 133 39.300 38.221 1.079 1
1 1544 . 1 1 1 A 133 133 ILE N N 133 124.500 125.606 -1.106 1
1 1545 . 1 1 1 A 134 134 ILE H H 134 9.000 9.428 -0.428 1
1 1546 . 1 1 1 A 134 134 ILE HA H 134 4.190 4.716 -0.526 1
1 1556 . 1 1 1 A 134 134 ILE CA C 134 59.000 59.773 -0.773 1
1 1557 . 1 1 1 A 134 134 ILE CB C 134 38.300 39.800 -1.500 1
1 1561 . 1 1 1 A 134 134 ILE N N 134 130.900 128.863 2.037 1
1 1562 . 1 1 1 A 135 135 LEU H H 135 8.360 8.782 -0.422 1
1 1563 . 1 1 1 A 135 135 LEU HA H 135 5.190 5.194 -0.004 1
1 1573 . 1 1 1 A 135 135 LEU CA C 135 52.700 53.373 -0.673 1
1 1574 . 1 1 1 A 135 135 LEU CB C 135 42.800 43.958 -1.158 1
1 1578 . 1 1 1 A 135 135 LEU N N 135 127.100 127.467 -0.367 1
1 1579 . 1 1 1 A 136 136 LYS H H 136 8.790 8.692 0.098 1
1 1580 . 1 1 1 A 136 136 LYS HA H 136 4.330 4.871 -0.541 1
1 1589 . 1 1 1 A 136 136 LYS CA C 136 55.600 54.537 1.063 1
1 1590 . 1 1 1 A 136 136 LYS CB C 136 34.600 35.629 -1.029 1
1 1594 . 1 1 1 A 136 136 LYS N N 136 125.100 123.420 1.680 1
1 1595 . 1 1 1 A 137 137 GLU H H 137 8.850 8.943 -0.093 1
1 1596 . 1 1 1 A 137 137 GLU HA H 137 4.240 4.149 0.091 1
1 1601 . 1 1 1 A 137 137 GLU CA C 137 57.600 58.846 -1.246 1
1 1602 . 1 1 1 A 137 137 GLU CB C 137 29.900 30.191 -0.291 1
1 1604 . 1 1 1 A 137 137 GLU N N 137 121.100 125.384 -4.284 1
1 1605 . 1 1 1 A 138 138 GLU H H 138 8.150 7.682 0.468 1
1 1606 . 1 1 1 A 138 138 GLU HA H 138 4.370 4.787 -0.417 1
1 1611 . 1 1 1 A 138 138 GLU CA C 138 55.800 54.730 1.070 1
1 1612 . 1 1 1 A 138 138 GLU CB C 138 30.700 33.055 -2.355 1
1 1614 . 1 1 1 A 138 138 GLU N N 138 119.300 118.523 0.777 1
1 1615 . 1 1 1 A 139 139 LEU H H 139 8.240 8.431 -0.191 1
1 1616 . 1 1 1 A 139 139 LEU HA H 139 4.180 4.251 -0.071 1
1 1626 . 1 1 1 A 139 139 LEU CA C 139 55.400 54.502 0.898 1
1 1627 . 1 1 1 A 139 139 LEU CB C 139 42.300 42.131 0.169 1
1 1631 . 1 1 1 A 139 139 LEU N N 139 122.800 125.072 -2.272 1
1 1632 . 1 1 1 A 140 140 GLU H H 140 8.250 9.110 -0.860 1
1 1633 . 1 1 1 A 140 140 GLU HA H 140 4.150 3.967 0.183 1
1 1638 . 1 1 1 A 140 140 GLU CA C 140 56.400 54.853 1.547 1
1 1639 . 1 1 1 A 140 140 GLU CB C 140 29.900 27.720 2.180 1
1 1641 . 1 1 1 A 140 140 GLU N N 140 120.700 120.952 -0.252 1
1 1642 . 1 1 1 A 141 141 HIS H H 141 8.400 8.605 -0.205 1
1 13 . 2 1 1 A 2 2 ILE H H 2 8.780 8.289 0.491 1
1 14 . 2 1 1 A 2 2 ILE HA H 2 5.060 5.001 0.059 1
1 24 . 2 1 1 A 2 2 ILE CA C 2 58.500 58.661 -0.161 1
1 25 . 2 1 1 A 2 2 ILE CB C 2 41.300 40.696 0.604 1
1 29 . 2 1 1 A 2 2 ILE N N 2 124.600 121.677 2.923 1
1 30 . 2 1 1 A 3 3 THR H H 3 8.280 9.093 -0.813 1
1 31 . 2 1 1 A 3 3 THR HA H 3 5.350 5.199 0.151 1
1 36 . 2 1 1 A 3 3 THR CA C 3 60.900 61.803 -0.903 1
1 37 . 2 1 1 A 3 3 THR CB C 3 69.900 70.608 -0.708 1
1 39 . 2 1 1 A 3 3 THR N N 3 123.200 123.809 -0.609 1
1 40 . 2 1 1 A 4 4 LEU H H 4 8.710 8.785 -0.075 1
1 41 . 2 1 1 A 4 4 LEU HA H 4 5.040 5.019 0.021 1
1 51 . 2 1 1 A 4 4 LEU CA C 4 53.800 53.520 0.280 1
1 52 . 2 1 1 A 4 4 LEU CB C 4 45.800 45.392 0.408 1
1 56 . 2 1 1 A 4 4 LEU N N 4 127.600 122.629 4.971 1
1 57 . 2 1 1 A 5 5 THR H H 5 8.440 8.497 -0.057 1
1 58 . 2 1 1 A 5 5 THR HA H 5 5.040 4.722 0.318 1
1 63 . 2 1 1 A 5 5 THR CA C 5 59.300 60.319 -1.019 1
1 64 . 2 1 1 A 5 5 THR CB C 5 71.000 71.478 -0.478 1
1 66 . 2 1 1 A 5 5 THR N N 5 109.500 112.046 -2.546 1
1 67 . 2 1 1 A 6 6 LYS H H 6 8.730 9.041 -0.311 1
1 68 . 2 1 1 A 6 6 LYS HA H 6 3.810 3.944 -0.134 1
1 77 . 2 1 1 A 6 6 LYS CA C 6 60.000 60.406 -0.406 1
1 78 . 2 1 1 A 6 6 LYS CB C 6 32.000 31.998 0.002 1
1 82 . 2 1 1 A 6 6 LYS N N 6 121.500 122.479 -0.979 1
1 83 . 2 1 1 A 7 7 LYS H H 7 8.290 7.995 0.295 1
1 84 . 2 1 1 A 7 7 LYS HA H 7 3.990 3.936 0.054 1
1 93 . 2 1 1 A 7 7 LYS CA C 7 59.200 59.779 -0.579 1
1 94 . 2 1 1 A 7 7 LYS CB C 7 32.400 32.192 0.208 1
1 98 . 2 1 1 A 7 7 LYS N N 7 118.800 118.931 -0.131 1
1 99 . 2 1 1 A 8 8 GLN H H 8 7.650 7.894 -0.244 1
1 100 . 2 1 1 A 8 8 GLN HA H 8 3.890 3.975 -0.085 1
1 107 . 2 1 1 A 8 8 GLN CA C 8 58.100 59.109 -1.009 1
1 108 . 2 1 1 A 8 8 GLN CB C 8 27.400 28.237 -0.837 1
1 110 . 2 1 1 A 8 8 GLN N N 8 119.800 118.585 1.215 1
1 112 . 2 1 1 A 9 9 MET H H 9 8.130 7.954 0.176 1
1 113 . 2 1 1 A 9 9 MET HA H 9 4.130 4.009 0.121 1
1 121 . 2 1 1 A 9 9 MET CA C 9 57.500 58.198 -0.698 1
1 122 . 2 1 1 A 9 9 MET CB C 9 30.900 32.169 -1.269 1
1 125 . 2 1 1 A 9 9 MET N N 9 118.300 119.805 -1.505 1
1 126 . 2 1 1 A 10 10 GLU H H 10 8.460 8.442 0.018 1
1 127 . 2 1 1 A 10 10 GLU HA H 10 3.890 3.940 -0.050 1
1 132 . 2 1 1 A 10 10 GLU CA C 10 59.100 59.460 -0.360 1
1 133 . 2 1 1 A 10 10 GLU CB C 10 28.500 29.115 -0.615 1
1 135 . 2 1 1 A 10 10 GLU N N 10 118.500 117.964 0.536 1
1 136 . 2 1 1 A 11 11 GLU H H 11 8.200 8.590 -0.390 1
1 137 . 2 1 1 A 11 11 GLU HA H 11 4.070 4.006 0.064 1
1 142 . 2 1 1 A 11 11 GLU CA C 11 59.200 58.906 0.294 1
1 143 . 2 1 1 A 11 11 GLU CB C 11 28.900 29.271 -0.371 1
1 145 . 2 1 1 A 11 11 GLU N N 11 120.800 120.387 0.413 1
1 146 . 2 1 1 A 12 12 MET H H 12 7.780 7.893 -0.113 1
1 147 . 2 1 1 A 12 12 MET HA H 12 3.390 3.910 -0.520 1
1 155 . 2 1 1 A 12 12 MET CA C 12 60.600 58.480 2.120 1
1 156 . 2 1 1 A 12 12 MET CB C 12 33.900 32.825 1.075 1
1 159 . 2 1 1 A 12 12 MET N N 12 119.300 118.842 0.458 1
1 160 . 2 1 1 A 13 13 LEU H H 13 8.340 8.447 -0.107 1
1 161 . 2 1 1 A 13 13 LEU HA H 13 3.770 3.958 -0.188 1
1 171 . 2 1 1 A 13 13 LEU CA C 13 58.000 57.909 0.091 1
1 172 . 2 1 1 A 13 13 LEU CB C 13 41.400 41.642 -0.242 1
1 176 . 2 1 1 A 13 13 LEU N N 13 118.600 119.784 -1.184 1
1 177 . 2 1 1 A 14 14 ALA H H 14 8.620 8.476 0.144 1
1 178 . 2 1 1 A 14 14 ALA HA H 14 4.100 4.081 0.019 1
1 182 . 2 1 1 A 14 14 ALA CA C 14 55.200 54.821 0.379 1
1 183 . 2 1 1 A 14 14 ALA CB C 14 17.800 18.484 -0.684 1
1 184 . 2 1 1 A 14 14 ALA N N 14 121.500 120.366 1.134 1
1 185 . 2 1 1 A 15 15 HIS H H 15 7.780 7.756 0.024 1
1 186 . 2 1 1 A 15 15 HIS HA H 15 4.460 4.256 0.204 1
1 190 . 2 1 1 A 15 15 HIS CA C 15 59.000 59.563 -0.563 1
1 191 . 2 1 1 A 15 15 HIS CB C 15 29.300 29.538 -0.238 1
1 193 . 2 1 1 A 15 15 HIS N N 15 116.700 118.039 -1.339 1
1 194 . 2 1 1 A 16 16 ALA H H 16 8.390 8.600 -0.210 1
1 195 . 2 1 1 A 16 16 ALA HA H 16 4.100 3.952 0.148 1
1 199 . 2 1 1 A 16 16 ALA CA C 16 54.500 55.398 -0.898 1
1 200 . 2 1 1 A 16 16 ALA CB C 16 18.200 18.203 -0.003 1
1 201 . 2 1 1 A 16 16 ALA N N 16 120.000 121.277 -1.277 1
1 202 . 2 1 1 A 17 17 ARG H H 17 8.820 8.349 0.471 1
1 203 . 2 1 1 A 17 17 ARG HA H 17 3.890 4.021 -0.131 1
1 210 . 2 1 1 A 17 17 ARG CA C 17 59.900 58.891 1.009 1
1 211 . 2 1 1 A 17 17 ARG CB C 17 30.100 29.986 0.114 1
1 214 . 2 1 1 A 17 17 ARG N N 17 118.900 117.157 1.743 1
1 215 . 2 1 1 A 18 18 GLN H H 18 8.130 7.938 0.192 1
1 216 . 2 1 1 A 18 18 GLN HA H 18 4.060 4.048 0.012 1
1 223 . 2 1 1 A 18 18 GLN CA C 18 57.900 58.785 -0.885 1
1 224 . 2 1 1 A 18 18 GLN CB C 18 28.000 28.706 -0.706 1
1 226 . 2 1 1 A 18 18 GLN N N 18 118.100 119.279 -1.179 1
1 228 . 2 1 1 A 19 19 ALA H H 19 7.090 7.255 -0.165 1
1 229 . 2 1 1 A 19 19 ALA HA H 19 4.220 4.294 -0.074 1
1 233 . 2 1 1 A 19 19 ALA CA C 19 52.300 51.942 0.358 1
1 234 . 2 1 1 A 19 19 ALA CB C 19 20.600 19.568 1.032 1
1 235 . 2 1 1 A 19 19 ALA N N 19 117.600 119.480 -1.880 1
1 236 . 2 1 1 A 20 20 LEU H H 20 7.020 7.091 -0.071 1
1 237 . 2 1 1 A 20 20 LEU HA H 20 4.110 4.390 -0.280 1
1 247 . 2 1 1 A 20 20 LEU CA C 20 54.600 53.875 0.725 1
1 248 . 2 1 1 A 20 20 LEU CB C 20 40.400 41.426 -1.026 1
1 252 . 2 1 1 A 20 20 LEU N N 20 117.900 122.900 -5.000 1
1 253 . 2 1 1 A 21 21 PRO HA H 21 4.320 4.673 -0.353 1
1 260 . 2 1 1 A 21 21 PRO CA C 21 63.700 63.590 0.110 1
1 261 . 2 1 1 A 21 21 PRO CB C 21 35.000 32.298 2.702 1
1 264 . 2 1 1 A 22 22 ASN H H 22 8.690 8.380 0.310 1
1 265 . 2 1 1 A 22 22 ASN HA H 22 4.570 5.303 -0.733 1
1 270 . 2 1 1 A 22 22 ASN CA C 22 52.400 52.293 0.107 1
1 271 . 2 1 1 A 22 22 ASN CB C 22 40.000 39.852 0.148 1
1 272 . 2 1 1 A 22 22 ASN N N 22 122.000 121.120 0.880 1
1 274 . 2 1 1 A 23 23 GLU H H 23 8.540 7.994 0.546 1
1 275 . 2 1 1 A 23 23 GLU HA H 23 4.050 4.590 -0.540 1
1 280 . 2 1 1 A 23 23 GLU CA C 23 57.300 55.986 1.314 1
1 281 . 2 1 1 A 23 23 GLU CB C 23 29.000 29.043 -0.043 1
1 283 . 2 1 1 A 23 23 GLU N N 23 116.100 121.369 -5.269 1
1 284 . 2 1 1 A 24 24 ALA H H 24 8.390 7.976 0.414 1
1 285 . 2 1 1 A 24 24 ALA HA H 24 5.040 4.275 0.765 1
1 289 . 2 1 1 A 24 24 ALA CA C 24 48.900 53.089 -4.189 1
1 290 . 2 1 1 A 24 24 ALA CB C 24 23.200 19.244 3.956 1
1 291 . 2 1 1 A 24 24 ALA N N 24 124.800 127.586 -2.786 1
1 292 . 2 1 1 A 25 25 CYS H H 25 8.910 8.760 0.150 1
1 293 . 2 1 1 A 25 25 CYS HA H 25 5.000 5.241 -0.241 1
1 296 . 2 1 1 A 25 25 CYS CA C 25 55.000 57.650 -2.650 1
1 297 . 2 1 1 A 25 25 CYS CB C 25 32.600 33.109 -0.509 1
1 298 . 2 1 1 A 25 25 CYS N N 25 111.700 120.826 -9.126 1
1 299 . 2 1 1 A 26 26 GLY H H 26 7.110 7.218 -0.108 1
1 300 . 2 1 1 A 26 26 GLY HA2 H 26 3.820 3.905 -0.085 1
1 301 . 2 1 1 A 26 26 GLY HA3 H 26 4.070 4.070 0.000 1
1 302 . 2 1 1 A 26 26 GLY CA C 26 46.500 45.829 0.671 1
1 303 . 2 1 1 A 26 26 GLY N N 26 103.200 108.517 -5.317 1
1 304 . 2 1 1 A 27 27 LEU H H 27 8.830 8.990 -0.160 1
1 305 . 2 1 1 A 27 27 LEU HA H 27 5.200 5.254 -0.054 1
1 315 . 2 1 1 A 27 27 LEU CA C 27 53.200 53.340 -0.140 1
1 316 . 2 1 1 A 27 27 LEU CB C 27 46.600 45.783 0.817 1
1 320 . 2 1 1 A 27 27 LEU N N 27 116.700 121.678 -4.978 1
1 321 . 2 1 1 A 28 28 LEU H H 28 8.060 8.679 -0.619 1
1 322 . 2 1 1 A 28 28 LEU HA H 28 5.200 5.285 -0.085 1
1 332 . 2 1 1 A 28 28 LEU CA C 28 53.400 53.068 0.332 1
1 333 . 2 1 1 A 28 28 LEU CB C 28 44.900 45.136 -0.236 1
1 337 . 2 1 1 A 28 28 LEU N N 28 118.200 121.717 -3.517 1
1 338 . 2 1 1 A 29 29 GLY H H 29 9.210 9.162 0.048 1
1 339 . 2 1 1 A 29 29 GLY HA2 H 29 3.750 4.319 -0.569 1
1 340 . 2 1 1 A 29 29 GLY HA3 H 29 5.800 4.398 1.402 1
1 341 . 2 1 1 A 29 29 GLY CA C 29 43.600 44.490 -0.890 1
1 342 . 2 1 1 A 29 29 GLY N N 29 109.500 111.945 -2.445 1
1 343 . 2 1 1 A 30 30 GLY H H 30 9.520 8.587 0.933 1
1 344 . 2 1 1 A 30 30 GLY HA2 H 30 3.210 3.677 -0.467 1
1 345 . 2 1 1 A 30 30 GLY HA3 H 30 4.800 4.150 0.650 1
1 346 . 2 1 1 A 30 30 GLY CA C 30 47.500 45.984 1.516 1
1 347 . 2 1 1 A 30 30 GLY N N 30 111.700 108.833 2.867 1
1 348 . 2 1 1 A 31 31 ARG H H 31 8.900 8.811 0.089 1
1 349 . 2 1 1 A 31 31 ARG HA H 31 5.170 5.141 0.029 1
1 356 . 2 1 1 A 31 31 ARG CA C 31 54.200 54.983 -0.783 1
1 357 . 2 1 1 A 31 31 ARG CB C 31 34.200 33.363 0.837 1
1 360 . 2 1 1 A 31 31 ARG N N 31 123.000 123.159 -0.159 1
1 361 . 2 1 1 A 32 32 ARG H H 32 9.070 9.124 -0.054 1
1 362 . 2 1 1 A 32 32 ARG HA H 32 5.140 5.539 -0.399 1
1 369 . 2 1 1 A 32 32 ARG CA C 32 54.700 54.304 0.396 1
1 370 . 2 1 1 A 32 32 ARG CB C 32 33.700 33.860 -0.160 1
1 373 . 2 1 1 A 32 32 ARG N N 32 121.500 123.301 -1.801 1
1 374 . 2 1 1 A 33 33 ASP H H 33 8.640 8.713 -0.073 1
1 375 . 2 1 1 A 33 33 ASP HA H 33 4.850 4.919 -0.069 1
1 378 . 2 1 1 A 33 33 ASP CA C 33 53.400 52.390 1.010 1
1 379 . 2 1 1 A 33 33 ASP CB C 33 42.100 43.159 -1.059 1
1 380 . 2 1 1 A 33 33 ASP N N 33 124.200 125.593 -1.393 1
1 381 . 2 1 1 A 34 34 GLY H H 34 9.020 8.713 0.307 1
1 382 . 2 1 1 A 34 34 GLY HA2 H 34 3.670 3.802 -0.132 1
1 383 . 2 1 1 A 34 34 GLY HA3 H 34 4.000 3.808 0.192 1
1 384 . 2 1 1 A 34 34 GLY CA C 34 47.200 47.533 -0.333 1
1 385 . 2 1 1 A 34 34 GLY N N 34 115.900 109.456 6.444 1
1 386 . 2 1 1 A 35 35 ASP H H 35 9.070 8.095 0.975 1
1 387 . 2 1 1 A 35 35 ASP HA H 35 4.650 4.856 -0.206 1
1 390 . 2 1 1 A 35 35 ASP CA C 35 54.800 53.373 1.427 1
1 391 . 2 1 1 A 35 35 ASP CB C 35 41.000 42.929 -1.929 1
1 392 . 2 1 1 A 35 35 ASP N N 35 127.300 119.435 7.865 1
1 393 . 2 1 1 A 36 36 ASP H H 36 8.070 7.673 0.397 1
1 394 . 2 1 1 A 36 36 ASP HA H 36 4.950 4.398 0.552 1
1 397 . 2 1 1 A 36 36 ASP CA C 36 53.700 54.612 -0.912 1
1 398 . 2 1 1 A 36 36 ASP CB C 36 41.700 40.862 0.838 1
1 399 . 2 1 1 A 36 36 ASP N N 36 120.600 120.067 0.533 1
1 400 . 2 1 1 A 37 37 ARG H H 37 8.070 7.843 0.227 1
1 401 . 2 1 1 A 37 37 ARG HA H 37 4.850 4.883 -0.033 1
1 408 . 2 1 1 A 37 37 ARG CA C 37 55.400 54.269 1.131 1
1 409 . 2 1 1 A 37 37 ARG CB C 37 32.900 32.311 0.589 1
1 412 . 2 1 1 A 37 37 ARG N N 37 120.800 120.402 0.398 1
1 413 . 2 1 1 A 38 38 TRP H H 38 9.380 9.426 -0.046 1
1 414 . 2 1 1 A 38 38 TRP HA H 38 4.840 5.414 -0.574 1
1 423 . 2 1 1 A 38 38 TRP CA C 38 57.000 55.497 1.503 1
1 424 . 2 1 1 A 38 38 TRP CB C 38 30.100 31.526 -1.426 1
1 430 . 2 1 1 A 38 38 TRP N N 38 124.900 123.688 1.212 1
1 432 . 2 1 1 A 39 39 VAL H H 39 8.450 9.189 -0.739 1
1 433 . 2 1 1 A 39 39 VAL HA H 39 3.390 4.112 -0.722 1
1 441 . 2 1 1 A 39 39 VAL CA C 39 64.500 62.597 1.903 1
1 442 . 2 1 1 A 39 39 VAL CB C 39 31.500 31.546 -0.046 1
1 445 . 2 1 1 A 39 39 VAL N N 39 124.400 125.332 -0.932 1
1 446 . 2 1 1 A 40 40 GLU H H 40 9.080 8.203 0.877 1
1 447 . 2 1 1 A 40 40 GLU HA H 40 4.350 4.528 -0.178 1
1 452 . 2 1 1 A 40 40 GLU CA C 40 54.900 57.054 -2.154 1
1 453 . 2 1 1 A 40 40 GLU CB C 40 29.500 31.687 -2.187 1
1 455 . 2 1 1 A 40 40 GLU N N 40 124.200 127.131 -2.931 1
1 456 . 2 1 1 A 41 41 ARG H H 41 7.610 7.267 0.343 1
1 457 . 2 1 1 A 41 41 ARG HA H 41 4.070 4.685 -0.615 1
1 464 . 2 1 1 A 41 41 ARG CA C 41 56.800 54.523 2.277 1
1 465 . 2 1 1 A 41 41 ARG CB C 41 33.600 33.032 0.568 1
1 468 . 2 1 1 A 41 41 ARG N N 41 120.000 120.597 -0.597 1
1 469 . 2 1 1 A 42 42 VAL H H 42 8.460 8.717 -0.257 1
1 470 . 2 1 1 A 42 42 VAL HA H 42 4.300 4.553 -0.253 1
1 478 . 2 1 1 A 42 42 VAL CA C 42 60.900 61.133 -0.233 1
1 479 . 2 1 1 A 42 42 VAL CB C 42 32.900 33.293 -0.393 1
1 482 . 2 1 1 A 42 42 VAL N N 42 125.600 127.130 -1.530 1
1 483 . 2 1 1 A 43 43 TYR H H 43 9.070 9.070 0.000 1
1 484 . 2 1 1 A 43 43 TYR HA H 43 4.930 5.079 -0.149 1
1 491 . 2 1 1 A 43 43 TYR CA C 43 54.600 55.366 -0.766 1
1 492 . 2 1 1 A 43 43 TYR CB C 43 38.500 39.062 -0.562 1
1 495 . 2 1 1 A 43 43 TYR N N 43 124.800 126.494 -1.694 1
1 496 . 2 1 1 A 44 44 PRO HA H 44 4.260 4.580 -0.320 1
1 503 . 2 1 1 A 44 44 PRO CA C 44 63.200 62.565 0.635 1
1 504 . 2 1 1 A 44 44 PRO CB C 44 30.100 31.577 -1.477 1
1 507 . 2 1 1 A 45 45 LEU H H 45 8.270 8.417 -0.147 1
1 508 . 2 1 1 A 45 45 LEU HA H 45 4.930 4.840 0.090 1
1 518 . 2 1 1 A 45 45 LEU CA C 45 53.800 53.633 0.167 1
1 519 . 2 1 1 A 45 45 LEU CB C 45 45.600 42.803 2.797 1
1 523 . 2 1 1 A 45 45 LEU N N 45 125.800 124.248 1.552 1
1 524 . 2 1 1 A 46 46 ASN H H 46 9.120 8.818 0.302 1
1 525 . 2 1 1 A 46 46 ASN HA H 46 4.630 5.358 -0.728 1
1 530 . 2 1 1 A 46 46 ASN CA C 46 56.000 51.681 4.319 1
1 531 . 2 1 1 A 46 46 ASN CB C 46 39.000 42.332 -3.332 1
1 532 . 2 1 1 A 46 46 ASN N N 46 119.000 118.738 0.262 1
1 534 . 2 1 1 A 47 47 ASN H H 47 8.460 8.752 -0.292 1
1 535 . 2 1 1 A 47 47 ASN HA H 47 5.260 4.905 0.355 1
1 540 . 2 1 1 A 47 47 ASN CA C 47 51.200 52.776 -1.576 1
1 541 . 2 1 1 A 47 47 ASN CB C 47 37.700 38.423 -0.723 1
1 542 . 2 1 1 A 47 47 ASN N N 47 118.500 121.208 -2.708 1
1 544 . 2 1 1 A 48 48 LEU H H 48 8.890 8.118 0.772 1
1 545 . 2 1 1 A 48 48 LEU HA H 48 4.070 4.312 -0.242 1
1 555 . 2 1 1 A 48 48 LEU CA C 48 56.800 57.208 -0.408 1
1 556 . 2 1 1 A 48 48 LEU CB C 48 41.600 42.631 -1.031 1
1 560 . 2 1 1 A 48 48 LEU N N 48 127.100 128.487 -1.387 1
1 561 . 2 1 1 A 49 49 ASP H H 49 7.820 8.321 -0.501 1
1 562 . 2 1 1 A 49 49 ASP HA H 49 4.430 4.991 -0.561 1
1 565 . 2 1 1 A 49 49 ASP CA C 49 54.500 53.569 0.931 1
1 566 . 2 1 1 A 49 49 ASP CB C 49 40.100 41.688 -1.588 1
1 567 . 2 1 1 A 49 49 ASP N N 49 115.700 117.540 -1.840 1
1 568 . 2 1 1 A 50 50 GLN H H 50 7.770 8.577 -0.807 1
1 569 . 2 1 1 A 50 50 GLN HA H 50 3.880 4.863 -0.983 1
1 576 . 2 1 1 A 50 50 GLN CA C 50 56.000 55.645 0.355 1
1 577 . 2 1 1 A 50 50 GLN CB C 50 27.400 28.289 -0.889 1
1 579 . 2 1 1 A 50 50 GLN N N 50 115.300 123.662 -8.362 1
1 581 . 2 1 1 A 51 51 SER H H 51 6.370 8.401 -2.031 1
1 582 . 2 1 1 A 51 51 SER HA H 51 5.210 5.090 0.120 1
1 585 . 2 1 1 A 51 51 SER CA C 51 53.700 55.899 -2.199 1
1 586 . 2 1 1 A 51 51 SER CB C 51 66.100 66.000 0.100 1
1 587 . 2 1 1 A 51 51 SER N N 51 109.000 122.630 -13.630 1
1 588 . 2 1 1 A 52 52 PRO HA H 52 4.830 4.686 0.144 1
1 595 . 2 1 1 A 52 52 PRO CA C 52 64.000 64.007 -0.007 1
1 596 . 2 1 1 A 52 52 PRO CB C 52 33.300 33.060 0.240 1
1 599 . 2 1 1 A 53 53 GLU H H 53 8.320 8.001 0.319 1
1 600 . 2 1 1 A 53 53 GLU HA H 53 4.510 4.815 -0.305 1
1 605 . 2 1 1 A 53 53 GLU CA C 53 55.700 57.691 -1.991 1
1 606 . 2 1 1 A 53 53 GLU CB C 53 32.400 32.581 -0.181 1
1 608 . 2 1 1 A 53 53 GLU N N 53 113.900 118.138 -4.238 1
1 609 . 2 1 1 A 54 54 HIS H H 54 7.070 8.347 -1.277 1
1 610 . 2 1 1 A 54 54 HIS HA H 54 4.750 5.020 -0.270 1
1 614 . 2 1 1 A 54 54 HIS CA C 54 54.100 54.914 -0.814 1
1 615 . 2 1 1 A 54 54 HIS CB C 54 31.100 31.028 0.072 1
1 617 . 2 1 1 A 54 54 HIS N N 54 112.500 117.295 -4.795 1
1 618 . 2 1 1 A 55 55 PHE H H 55 7.900 8.866 -0.966 1
1 619 . 2 1 1 A 55 55 PHE HA H 55 5.580 5.770 -0.190 1
1 627 . 2 1 1 A 55 55 PHE CA C 55 55.400 55.073 0.327 1
1 628 . 2 1 1 A 55 55 PHE CB C 55 41.200 42.696 -1.496 1
1 632 . 2 1 1 A 55 55 PHE N N 55 114.900 120.155 -5.255 1
1 633 . 2 1 1 A 56 56 SER H H 56 7.690 8.828 -1.138 1
1 634 . 2 1 1 A 56 56 SER HA H 56 4.300 5.167 -0.867 1
1 637 . 2 1 1 A 56 56 SER CA C 56 57.800 57.522 0.278 1
1 638 . 2 1 1 A 56 56 SER CB C 56 65.300 65.890 -0.590 1
1 639 . 2 1 1 A 56 56 SER N N 56 112.900 116.293 -3.393 1
1 640 . 2 1 1 A 57 57 MET H H 57 8.750 8.993 -0.243 1
1 641 . 2 1 1 A 57 57 MET HA H 57 4.860 5.361 -0.501 1
1 649 . 2 1 1 A 57 57 MET CA C 57 54.400 52.979 1.421 1
1 650 . 2 1 1 A 57 57 MET CB C 57 36.000 35.290 0.710 1
1 653 . 2 1 1 A 57 57 MET N N 57 120.000 123.697 -3.697 1
1 654 . 2 1 1 A 58 58 ASP H H 58 10.180 8.490 1.690 1
1 655 . 2 1 1 A 58 58 ASP HA H 58 4.740 4.792 -0.052 1
1 658 . 2 1 1 A 58 58 ASP CA C 58 51.700 51.925 -0.225 1
1 659 . 2 1 1 A 58 58 ASP CB C 58 42.700 42.312 0.388 1
1 660 . 2 1 1 A 58 58 ASP N N 58 126.600 122.792 3.808 1
1 661 . 2 1 1 A 59 59 PRO HA H 59 4.400 4.466 -0.066 1
1 668 . 2 1 1 A 59 59 PRO CA C 59 65.300 64.564 0.736 1
1 669 . 2 1 1 A 59 59 PRO CB C 59 32.300 32.112 0.188 1
1 672 . 2 1 1 A 60 60 ARG H H 60 8.520 8.460 0.060 1
1 673 . 2 1 1 A 60 60 ARG HA H 60 4.120 4.061 0.059 1
1 680 . 2 1 1 A 60 60 ARG CA C 60 59.200 59.388 -0.188 1
1 681 . 2 1 1 A 60 60 ARG CB C 60 29.500 30.095 -0.595 1
1 684 . 2 1 1 A 60 60 ARG N N 60 118.700 118.831 -0.131 1
1 685 . 2 1 1 A 61 61 GLU H H 61 7.730 9.041 -1.311 1
1 686 . 2 1 1 A 61 61 GLU HA H 61 4.190 4.175 0.015 1
1 691 . 2 1 1 A 61 61 GLU CA C 61 59.000 59.148 -0.148 1
1 692 . 2 1 1 A 61 61 GLU CB C 61 30.200 29.446 0.754 1
1 694 . 2 1 1 A 61 61 GLU N N 61 119.800 120.002 -0.202 1
1 695 . 2 1 1 A 62 62 GLN H H 62 8.220 7.511 0.709 1
1 696 . 2 1 1 A 62 62 GLN HA H 62 3.830 4.048 -0.218 1
1 703 . 2 1 1 A 62 62 GLN CA C 62 59.900 58.137 1.763 1
1 704 . 2 1 1 A 62 62 GLN CB C 62 29.000 28.304 0.696 1
1 706 . 2 1 1 A 62 62 GLN N N 62 118.700 120.084 -1.384 1
1 708 . 2 1 1 A 63 63 LEU H H 63 7.950 7.845 0.105 1
1 709 . 2 1 1 A 63 63 LEU HA H 63 4.110 4.031 0.079 1
1 719 . 2 1 1 A 63 63 LEU CA C 63 58.000 58.239 -0.239 1
1 720 . 2 1 1 A 63 63 LEU CB C 63 41.400 41.639 -0.239 1
1 724 . 2 1 1 A 63 63 LEU N N 63 119.200 121.615 -2.415 1
1 725 . 2 1 1 A 64 64 THR H H 64 7.910 7.827 0.083 1
1 726 . 2 1 1 A 64 64 THR HA H 64 3.790 3.863 -0.073 1
1 731 . 2 1 1 A 64 64 THR CA C 64 66.800 66.332 0.468 1
1 732 . 2 1 1 A 64 64 THR CB C 64 68.700 68.547 0.153 1
1 734 . 2 1 1 A 64 64 THR N N 64 116.000 114.566 1.434 1
1 735 . 2 1 1 A 65 65 ALA H H 65 7.520 7.873 -0.353 1
1 736 . 2 1 1 A 65 65 ALA HA H 65 3.970 4.083 -0.113 1
1 740 . 2 1 1 A 65 65 ALA CA C 65 55.100 55.115 -0.015 1
1 741 . 2 1 1 A 65 65 ALA CB C 65 17.900 17.945 -0.045 1
1 742 . 2 1 1 A 65 65 ALA N N 65 125.200 123.389 1.811 1
1 743 . 2 1 1 A 66 66 VAL H H 66 8.420 8.185 0.235 1
1 744 . 2 1 1 A 66 66 VAL HA H 66 3.840 3.289 0.551 1
1 752 . 2 1 1 A 66 66 VAL CA C 66 66.200 66.405 -0.205 1
1 753 . 2 1 1 A 66 66 VAL CB C 66 31.700 31.428 0.272 1
1 756 . 2 1 1 A 66 66 VAL N N 66 119.300 118.662 0.638 1
1 757 . 2 1 1 A 67 67 LYS H H 67 8.570 7.966 0.604 1
1 758 . 2 1 1 A 67 67 LYS HA H 67 3.960 3.919 0.041 1
1 767 . 2 1 1 A 67 67 LYS CA C 67 60.300 58.994 1.306 1
1 768 . 2 1 1 A 67 67 LYS CB C 67 32.200 31.936 0.264 1
1 772 . 2 1 1 A 67 67 LYS N N 67 120.600 120.449 0.151 1
1 773 . 2 1 1 A 68 68 ASP H H 68 7.660 8.721 -1.061 1
1 774 . 2 1 1 A 68 68 ASP HA H 68 4.290 4.403 -0.113 1
1 777 . 2 1 1 A 68 68 ASP CA C 68 58.300 57.959 0.341 1
1 778 . 2 1 1 A 68 68 ASP CB C 68 42.700 41.545 1.155 1
1 779 . 2 1 1 A 68 68 ASP N N 68 121.500 119.236 2.264 1
1 780 . 2 1 1 A 69 69 MET H H 69 8.620 8.387 0.233 1
1 781 . 2 1 1 A 69 69 MET HA H 69 4.250 4.405 -0.155 1
1 789 . 2 1 1 A 69 69 MET CA C 69 60.300 58.728 1.572 1
1 790 . 2 1 1 A 69 69 MET CB C 69 32.700 32.101 0.599 1
1 793 . 2 1 1 A 69 69 MET N N 69 120.100 118.919 1.181 1
1 794 . 2 1 1 A 70 70 ARG H H 70 8.500 8.391 0.109 1
1 795 . 2 1 1 A 70 70 ARG HA H 70 4.110 4.022 0.088 1
1 802 . 2 1 1 A 70 70 ARG CA C 70 59.200 59.098 0.102 1
1 803 . 2 1 1 A 70 70 ARG CB C 70 29.600 29.727 -0.127 1
1 806 . 2 1 1 A 70 70 ARG N N 70 119.000 120.121 -1.121 1
1 807 . 2 1 1 A 71 71 LYS H H 71 8.020 8.197 -0.177 1
1 808 . 2 1 1 A 71 71 LYS HA H 71 3.970 4.048 -0.078 1
1 817 . 2 1 1 A 71 71 LYS CA C 71 58.800 59.231 -0.431 1
1 818 . 2 1 1 A 71 71 LYS CB C 71 32.000 32.142 -0.142 1
1 822 . 2 1 1 A 71 71 LYS N N 71 121.100 119.567 1.533 1
1 823 . 2 1 1 A 72 72 ASN H H 72 6.960 7.399 -0.439 1
1 824 . 2 1 1 A 72 72 ASN HA H 72 4.090 4.608 -0.518 1
1 829 . 2 1 1 A 72 72 ASN CA C 72 53.300 52.888 0.412 1
1 830 . 2 1 1 A 72 72 ASN CB C 72 39.000 38.640 0.360 1
1 831 . 2 1 1 A 72 72 ASN N N 72 114.600 116.017 -1.417 1
1 833 . 2 1 1 A 73 73 GLY H H 73 7.560 7.555 0.005 1
1 834 . 2 1 1 A 73 73 GLY HA2 H 73 3.890 3.844 0.046 1
1 835 . 2 1 1 A 73 73 GLY HA3 H 73 3.760 3.929 -0.169 1
1 836 . 2 1 1 A 73 73 GLY CA C 73 45.900 45.295 0.605 1
1 837 . 2 1 1 A 73 73 GLY N N 73 106.700 106.982 -0.282 1
1 838 . 2 1 1 A 74 74 TRP H H 74 8.240 8.061 0.179 1
1 839 . 2 1 1 A 74 74 TRP HA H 74 5.260 4.767 0.493 1
1 848 . 2 1 1 A 74 74 TRP CA C 74 53.100 57.403 -4.303 1
1 849 . 2 1 1 A 74 74 TRP CB C 74 31.400 31.433 -0.033 1
1 855 . 2 1 1 A 74 74 TRP N N 74 120.700 120.852 -0.152 1
1 857 . 2 1 1 A 75 75 VAL H H 75 9.410 8.888 0.522 1
1 858 . 2 1 1 A 75 75 VAL HA H 75 4.800 4.946 -0.146 1
1 866 . 2 1 1 A 75 75 VAL CA C 75 58.500 59.000 -0.500 1
1 867 . 2 1 1 A 75 75 VAL CB C 75 35.500 35.667 -0.167 1
1 870 . 2 1 1 A 75 75 VAL N N 75 112.100 115.647 -3.547 1
1 871 . 2 1 1 A 76 76 MET H H 76 8.800 8.779 0.021 1
1 872 . 2 1 1 A 76 76 MET HA H 76 4.650 4.535 0.115 1
1 880 . 2 1 1 A 76 76 MET CA C 76 56.900 55.767 1.133 1
1 881 . 2 1 1 A 76 76 MET CB C 76 32.600 33.164 -0.564 1
1 884 . 2 1 1 A 76 76 MET N N 76 122.400 122.794 -0.394 1
1 885 . 2 1 1 A 77 77 LEU H H 77 8.780 9.619 -0.839 1
1 886 . 2 1 1 A 77 77 LEU HA H 77 4.480 4.513 -0.033 1
1 896 . 2 1 1 A 77 77 LEU CA C 77 54.100 55.705 -1.605 1
1 897 . 2 1 1 A 77 77 LEU CB C 77 44.700 42.972 1.728 1
1 901 . 2 1 1 A 77 77 LEU N N 77 125.600 127.418 -1.818 1
1 902 . 2 1 1 A 78 78 GLY H H 78 7.590 7.074 0.516 1
1 903 . 2 1 1 A 78 78 GLY HA2 H 78 5.150 4.015 1.135 1
1 904 . 2 1 1 A 78 78 GLY HA3 H 78 3.660 4.023 -0.363 1
1 905 . 2 1 1 A 78 78 GLY CA C 78 45.700 45.594 0.106 1
1 906 . 2 1 1 A 78 78 GLY N N 78 102.900 104.726 -1.826 1
1 907 . 2 1 1 A 79 79 ASN H H 79 8.520 8.805 -0.285 1
1 908 . 2 1 1 A 79 79 ASN HA H 79 5.230 5.577 -0.347 1
1 913 . 2 1 1 A 79 79 ASN CA C 79 51.100 51.656 -0.556 1
1 914 . 2 1 1 A 79 79 ASN CB C 79 41.500 41.863 -0.363 1
1 915 . 2 1 1 A 79 79 ASN N N 79 115.600 117.851 -2.251 1
1 917 . 2 1 1 A 80 80 PHE H H 80 8.410 8.146 0.264 1
1 918 . 2 1 1 A 80 80 PHE HA H 80 6.120 6.066 0.054 1
1 926 . 2 1 1 A 80 80 PHE CA C 80 54.500 55.349 -0.849 1
1 927 . 2 1 1 A 80 80 PHE CB C 80 44.800 42.852 1.948 1
1 931 . 2 1 1 A 80 80 PHE N N 80 113.100 116.385 -3.285 1
1 932 . 2 1 1 A 81 81 HIS H H 81 8.310 9.571 -1.261 1
1 933 . 2 1 1 A 81 81 HIS HA H 81 5.300 5.137 0.163 1
1 938 . 2 1 1 A 81 81 HIS CA C 81 54.400 54.647 -0.247 1
1 939 . 2 1 1 A 81 81 HIS CB C 81 30.300 33.037 -2.737 1
1 942 . 2 1 1 A 81 81 HIS N N 81 111.600 121.523 -9.923 1
1 943 . 2 1 1 A 82 82 SER H H 82 8.390 8.306 0.084 1
1 944 . 2 1 1 A 82 82 SER HA H 82 5.510 5.508 0.002 1
1 947 . 2 1 1 A 82 82 SER CA C 82 54.800 56.600 -1.800 1
1 948 . 2 1 1 A 82 82 SER CB C 82 66.700 66.333 0.367 1
1 949 . 2 1 1 A 82 82 SER N N 82 112.700 123.355 -10.655 1
1 950 . 2 1 1 A 83 83 HIS H H 83 8.890 8.765 0.125 1
1 951 . 2 1 1 A 83 83 HIS HA H 83 5.480 4.808 0.672 1
1 956 . 2 1 1 A 83 83 HIS CA C 83 49.900 53.633 -3.733 1
1 957 . 2 1 1 A 83 83 HIS CB C 83 32.000 32.828 -0.828 1
1 960 . 2 1 1 A 83 83 HIS N N 83 115.200 120.897 -5.697 1
1 961 . 2 1 1 A 84 84 PRO HA H 84 3.940 4.341 -0.401 1
1 968 . 2 1 1 A 84 84 PRO CA C 84 65.600 65.320 0.280 1
1 969 . 2 1 1 A 84 84 PRO CB C 84 33.300 31.833 1.467 1
1 972 . 2 1 1 A 85 85 ALA H H 85 8.410 8.281 0.129 1
1 973 . 2 1 1 A 85 85 ALA HA H 85 4.670 4.523 0.147 1
1 977 . 2 1 1 A 85 85 ALA CA C 85 51.300 51.306 -0.006 1
1 978 . 2 1 1 A 85 85 ALA CB C 85 21.200 19.677 1.523 1
1 979 . 2 1 1 A 85 85 ALA N N 85 112.800 119.074 -6.274 1
1 980 . 2 1 1 A 86 86 THR H H 86 7.070 7.484 -0.414 1
1 981 . 2 1 1 A 86 86 THR HA H 86 4.960 5.050 -0.090 1
1 986 . 2 1 1 A 86 86 THR CA C 86 58.600 58.413 0.187 1
1 987 . 2 1 1 A 86 86 THR CB C 86 69.500 70.416 -0.916 1
1 989 . 2 1 1 A 86 86 THR N N 86 109.200 108.567 0.633 1
1 990 . 2 1 1 A 87 87 PRO HA H 87 4.630 4.834 -0.204 1
1 997 . 2 1 1 A 87 87 PRO CA C 87 62.700 62.520 0.180 1
1 998 . 2 1 1 A 87 87 PRO CB C 87 33.500 32.635 0.865 1
1 1001 . 2 1 1 A 88 88 ALA H H 88 9.760 8.362 1.398 1
1 1002 . 2 1 1 A 88 88 ALA HA H 88 3.960 4.514 -0.554 1
1 1006 . 2 1 1 A 88 88 ALA CA C 88 51.700 51.579 0.121 1
1 1007 . 2 1 1 A 88 88 ALA CB C 88 16.300 17.577 -1.277 1
1 1008 . 2 1 1 A 88 88 ALA N N 88 127.600 123.779 3.821 1
1 1009 . 2 1 1 A 89 89 ARG H H 89 7.570 8.106 -0.536 1
1 1010 . 2 1 1 A 89 89 ARG HA H 89 4.280 4.361 -0.081 1
1 1017 . 2 1 1 A 89 89 ARG CA C 89 53.200 52.548 0.652 1
1 1018 . 2 1 1 A 89 89 ARG CB C 89 31.300 32.899 -1.599 1
1 1021 . 2 1 1 A 89 89 ARG N N 89 118.300 120.354 -2.054 1
1 1022 . 2 1 1 A 90 90 PRO HA H 90 4.510 4.669 -0.159 1
1 1029 . 2 1 1 A 90 90 PRO CA C 90 62.900 62.437 0.463 1
1 1030 . 2 1 1 A 90 90 PRO CB C 90 31.300 31.467 -0.167 1
1 1033 . 2 1 1 A 91 91 SER H H 91 9.630 8.724 0.906 1
1 1034 . 2 1 1 A 91 91 SER HA H 91 4.600 4.637 -0.037 1
1 1037 . 2 1 1 A 91 91 SER CA C 91 56.500 56.913 -0.413 1
1 1038 . 2 1 1 A 91 91 SER CB C 91 66.000 65.466 0.534 1
1 1039 . 2 1 1 A 91 91 SER N N 91 122.500 115.502 6.998 1
1 1040 . 2 1 1 A 92 92 ALA H H 92 8.910 9.011 -0.101 1
1 1041 . 2 1 1 A 92 92 ALA HA H 92 3.980 3.923 0.057 1
1 1045 . 2 1 1 A 92 92 ALA CA C 92 55.900 55.303 0.597 1
1 1046 . 2 1 1 A 92 92 ALA CB C 92 17.800 18.325 -0.525 1
1 1047 . 2 1 1 A 92 92 ALA N N 92 123.000 123.820 -0.820 1
1 1048 . 2 1 1 A 93 93 GLU H H 93 8.370 8.037 0.333 1
1 1049 . 2 1 1 A 93 93 GLU HA H 93 4.070 4.003 0.067 1
1 1054 . 2 1 1 A 93 93 GLU CA C 93 58.900 59.902 -1.002 1
1 1055 . 2 1 1 A 93 93 GLU CB C 93 28.800 29.879 -1.079 1
1 1057 . 2 1 1 A 93 93 GLU N N 93 118.800 117.572 1.228 1
1 1058 . 2 1 1 A 94 94 ASP H H 94 7.770 7.959 -0.189 1
1 1059 . 2 1 1 A 94 94 ASP HA H 94 4.260 4.315 -0.055 1
1 1062 . 2 1 1 A 94 94 ASP CA C 94 57.100 56.983 0.117 1
1 1063 . 2 1 1 A 94 94 ASP CB C 94 40.200 40.248 -0.048 1
1 1064 . 2 1 1 A 94 94 ASP N N 94 119.200 120.140 -0.940 1
1 1065 . 2 1 1 A 95 95 LYS H H 95 7.830 8.227 -0.397 1
1 1066 . 2 1 1 A 95 95 LYS HA H 95 3.720 3.811 -0.091 1
1 1075 . 2 1 1 A 95 95 LYS CA C 95 59.500 59.906 -0.406 1
1 1076 . 2 1 1 A 95 95 LYS CB C 95 31.900 31.942 -0.042 1
1 1080 . 2 1 1 A 95 95 LYS N N 95 116.400 120.352 -3.952 1
1 1081 . 2 1 1 A 96 96 ARG H H 96 7.570 7.414 0.156 1
1 1082 . 2 1 1 A 96 96 ARG HA H 96 3.940 4.015 -0.075 1
1 1089 . 2 1 1 A 96 96 ARG CA C 96 58.500 58.097 0.403 1
1 1090 . 2 1 1 A 96 96 ARG CB C 96 30.100 30.382 -0.282 1
1 1093 . 2 1 1 A 96 96 ARG N N 96 119.400 118.541 0.859 1
1 1094 . 2 1 1 A 97 97 LEU H H 97 7.270 7.228 0.042 1
1 1095 . 2 1 1 A 97 97 LEU HA H 97 4.030 3.613 0.417 1
1 1105 . 2 1 1 A 97 97 LEU CA C 97 54.400 53.994 0.406 1
1 1106 . 2 1 1 A 97 97 LEU CB C 97 41.600 41.171 0.429 1
1 1110 . 2 1 1 A 97 97 LEU N N 97 116.100 116.311 -0.211 1
1 1111 . 2 1 1 A 98 98 ALA H H 98 6.950 6.746 0.204 1
1 1112 . 2 1 1 A 98 98 ALA HA H 98 4.230 4.164 0.066 1
1 1116 . 2 1 1 A 98 98 ALA CA C 98 50.800 50.995 -0.195 1
1 1117 . 2 1 1 A 98 98 ALA CB C 98 16.700 18.183 -1.483 1
1 1118 . 2 1 1 A 98 98 ALA N N 98 124.800 123.513 1.287 1
1 1119 . 2 1 1 A 99 99 PHE H H 99 7.630 8.755 -1.125 1
1 1120 . 2 1 1 A 99 99 PHE HA H 99 4.490 4.633 -0.143 1
1 1128 . 2 1 1 A 99 99 PHE CA C 99 58.200 59.032 -0.832 1
1 1129 . 2 1 1 A 99 99 PHE CB C 99 39.500 40.948 -1.448 1
1 1133 . 2 1 1 A 99 99 PHE N N 99 120.400 122.464 -2.064 1
1 1134 . 2 1 1 A 100 100 ASP H H 100 7.320 7.873 -0.553 1
1 1135 . 2 1 1 A 100 100 ASP HA H 100 5.240 5.089 0.151 1
1 1138 . 2 1 1 A 100 100 ASP CA C 100 49.900 51.219 -1.319 1
1 1139 . 2 1 1 A 100 100 ASP CB C 100 42.200 41.643 0.557 1
1 1140 . 2 1 1 A 100 100 ASP N N 100 118.200 118.947 -0.747 1
1 1141 . 2 1 1 A 101 101 PRO HA H 101 5.040 4.808 0.232 1
1 1148 . 2 1 1 A 101 101 PRO CA C 101 64.200 64.172 0.028 1
1 1149 . 2 1 1 A 101 101 PRO CB C 101 32.800 31.956 0.844 1
1 1152 . 2 1 1 A 102 102 SER H H 102 8.950 8.015 0.935 1
1 1153 . 2 1 1 A 102 102 SER HA H 102 4.530 4.448 0.082 1
1 1156 . 2 1 1 A 102 102 SER CA C 102 59.300 59.614 -0.314 1
1 1157 . 2 1 1 A 102 102 SER CB C 102 64.500 64.350 0.150 1
1 1158 . 2 1 1 A 102 102 SER N N 102 117.700 112.666 5.034 1
1 1159 . 2 1 1 A 103 103 LEU H H 103 6.850 7.435 -0.585 1
1 1160 . 2 1 1 A 103 103 LEU HA H 103 4.200 4.234 -0.034 1
1 1170 . 2 1 1 A 103 103 LEU CA C 103 53.700 53.834 -0.134 1
1 1171 . 2 1 1 A 103 103 LEU CB C 103 41.800 43.320 -1.520 1
1 1175 . 2 1 1 A 103 103 LEU N N 103 121.100 122.350 -1.250 1
1 1176 . 2 1 1 A 104 104 SER H H 104 8.080 8.361 -0.281 1
1 1177 . 2 1 1 A 104 104 SER HA H 104 4.310 5.102 -0.792 1
1 1180 . 2 1 1 A 104 104 SER CA C 104 60.300 57.152 3.148 1
1 1181 . 2 1 1 A 104 104 SER CB C 104 63.300 64.512 -1.212 1
1 1182 . 2 1 1 A 104 104 SER N N 104 116.100 116.685 -0.585 1
1 1183 . 2 1 1 A 105 105 TYR H H 105 8.790 9.094 -0.304 1
1 1184 . 2 1 1 A 105 105 TYR HA H 105 4.750 5.061 -0.311 1
1 1191 . 2 1 1 A 105 105 TYR CA C 105 57.100 56.753 0.347 1
1 1192 . 2 1 1 A 105 105 TYR CB C 105 37.700 38.571 -0.871 1
1 1195 . 2 1 1 A 105 105 TYR N N 105 122.700 122.681 0.019 1
1 1196 . 2 1 1 A 106 106 LEU H H 106 8.750 8.951 -0.201 1
1 1197 . 2 1 1 A 106 106 LEU HA H 106 5.290 4.934 0.356 1
1 1207 . 2 1 1 A 106 106 LEU CA C 106 56.000 54.533 1.467 1
1 1208 . 2 1 1 A 106 106 LEU CB C 106 43.400 42.783 0.617 1
1 1212 . 2 1 1 A 106 106 LEU N N 106 125.200 125.881 -0.681 1
1 1213 . 2 1 1 A 107 107 ILE H H 107 9.480 9.345 0.135 1
1 1214 . 2 1 1 A 107 107 ILE HA H 107 4.630 5.646 -1.016 1
1 1224 . 2 1 1 A 107 107 ILE CA C 107 59.700 60.003 -0.303 1
1 1225 . 2 1 1 A 107 107 ILE CB C 107 40.500 40.979 -0.479 1
1 1229 . 2 1 1 A 107 107 ILE N N 107 123.800 123.844 -0.044 1
1 1230 . 2 1 1 A 108 108 ILE H H 108 7.820 9.486 -1.666 1
1 1231 . 2 1 1 A 108 108 ILE HA H 108 4.950 5.087 -0.137 1
1 1241 . 2 1 1 A 108 108 ILE CA C 108 58.600 60.014 -1.414 1
1 1242 . 2 1 1 A 108 108 ILE CB C 108 41.700 39.678 2.022 1
1 1246 . 2 1 1 A 108 108 ILE N N 108 125.200 128.572 -3.372 1
1 1247 . 2 1 1 A 109 109 SER H H 109 9.780 9.146 0.634 1
1 1248 . 2 1 1 A 109 109 SER HA H 109 5.430 5.136 0.294 1
1 1251 . 2 1 1 A 109 109 SER CA C 109 56.400 56.396 0.004 1
1 1252 . 2 1 1 A 109 109 SER CB C 109 64.900 64.712 0.188 1
1 1253 . 2 1 1 A 109 109 SER N N 109 120.300 121.956 -1.656 1
1 1254 . 2 1 1 A 110 110 LEU H H 110 8.110 8.304 -0.194 1
1 1255 . 2 1 1 A 110 110 LEU HA H 110 4.630 4.656 -0.026 1
1 1265 . 2 1 1 A 110 110 LEU CA C 110 53.300 54.372 -1.072 1
1 1266 . 2 1 1 A 110 110 LEU CB C 110 41.100 41.370 -0.270 1
1 1270 . 2 1 1 A 110 110 LEU N N 110 130.700 129.044 1.656 1
1 1271 . 2 1 1 A 111 111 ALA H H 111 7.390 7.853 -0.463 1
1 1272 . 2 1 1 A 111 111 ALA HA H 111 3.920 4.143 -0.223 1
1 1276 . 2 1 1 A 111 111 ALA CA C 111 55.200 54.096 1.104 1
1 1277 . 2 1 1 A 111 111 ALA CB C 111 17.900 18.515 -0.615 1
1 1278 . 2 1 1 A 111 111 ALA N N 111 121.000 123.022 -2.022 1
1 1279 . 2 1 1 A 112 112 GLU H H 112 8.290 7.801 0.489 1
1 1280 . 2 1 1 A 112 112 GLU HA H 112 4.830 4.693 0.137 1
1 1285 . 2 1 1 A 112 112 GLU CA C 112 52.600 53.289 -0.689 1
1 1286 . 2 1 1 A 112 112 GLU CB C 112 29.300 30.485 -1.185 1
1 1288 . 2 1 1 A 112 112 GLU N N 112 116.400 117.651 -1.251 1
1 1289 . 2 1 1 A 113 113 PRO HA H 113 3.940 4.407 -0.467 1
1 1296 . 2 1 1 A 113 113 PRO CA C 113 65.600 64.444 1.156 1
1 1297 . 2 1 1 A 113 113 PRO CB C 113 31.900 32.113 -0.213 1
1 1300 . 2 1 1 A 114 114 GLN H H 114 8.610 8.140 0.470 1
1 1301 . 2 1 1 A 114 114 GLN HA H 114 4.250 4.193 0.057 1
1 1308 . 2 1 1 A 114 114 GLN CA C 114 56.100 57.134 -1.034 1
1 1309 . 2 1 1 A 114 114 GLN CB C 114 28.300 29.581 -1.281 1
1 1311 . 2 1 1 A 114 114 GLN N N 114 113.500 116.356 -2.856 1
1 1313 . 2 1 1 A 115 115 LYS H H 115 8.040 7.854 0.186 1
1 1314 . 2 1 1 A 115 115 LYS HA H 115 4.620 4.747 -0.127 1
1 1323 . 2 1 1 A 115 115 LYS CA C 115 53.500 53.690 -0.190 1
1 1324 . 2 1 1 A 115 115 LYS CB C 115 33.400 33.265 0.135 1
1 1328 . 2 1 1 A 115 115 LYS N N 115 121.000 119.348 1.652 1
1 1329 . 2 1 1 A 116 116 PRO HA H 116 4.560 4.447 0.113 1
1 1336 . 2 1 1 A 116 116 PRO CA C 116 62.900 63.197 -0.297 1
1 1337 . 2 1 1 A 116 116 PRO CB C 116 32.500 31.943 0.557 1
1 1340 . 2 1 1 A 117 117 VAL H H 117 7.850 8.291 -0.441 1
1 1341 . 2 1 1 A 117 117 VAL HA H 117 4.360 4.281 0.079 1
1 1349 . 2 1 1 A 117 117 VAL CA C 117 61.200 61.540 -0.340 1
1 1350 . 2 1 1 A 117 117 VAL CB C 117 35.900 32.582 3.318 1
1 1353 . 2 1 1 A 117 117 VAL N N 117 120.600 123.798 -3.198 1
1 1354 . 2 1 1 A 118 118 CYS H H 118 8.820 9.126 -0.306 1
1 1355 . 2 1 1 A 118 118 CYS HA H 118 5.340 5.319 0.021 1
1 1358 . 2 1 1 A 118 118 CYS CA C 118 56.400 56.788 -0.388 1
1 1359 . 2 1 1 A 118 118 CYS CB C 118 28.700 30.094 -1.394 1
1 1360 . 2 1 1 A 118 118 CYS N N 118 127.100 127.875 -0.775 1
1 1361 . 2 1 1 A 119 119 LYS H H 119 8.530 9.124 -0.594 1
1 1362 . 2 1 1 A 119 119 LYS HA H 119 4.590 4.760 -0.170 1
1 1371 . 2 1 1 A 119 119 LYS CA C 119 54.900 54.520 0.380 1
1 1372 . 2 1 1 A 119 119 LYS CB C 119 39.600 36.049 3.551 1
1 1376 . 2 1 1 A 119 119 LYS N N 119 126.400 127.649 -1.249 1
1 1377 . 2 1 1 A 120 120 SER H H 120 8.220 8.549 -0.329 1
1 1378 . 2 1 1 A 120 120 SER HA H 120 4.870 5.163 -0.293 1
1 1381 . 2 1 1 A 120 120 SER CA C 120 56.300 57.064 -0.764 1
1 1382 . 2 1 1 A 120 120 SER CB C 120 63.300 64.849 -1.549 1
1 1383 . 2 1 1 A 120 120 SER N N 120 114.500 117.827 -3.327 1
1 1384 . 2 1 1 A 121 121 PHE H H 121 8.450 9.749 -1.299 1
1 1385 . 2 1 1 A 121 121 PHE HA H 121 5.160 5.181 -0.021 1
1 1393 . 2 1 1 A 121 121 PHE CA C 121 57.200 56.113 1.087 1
1 1394 . 2 1 1 A 121 121 PHE CB C 121 42.700 41.703 0.997 1
1 1398 . 2 1 1 A 121 121 PHE N N 121 124.400 125.012 -0.612 1
1 1399 . 2 1 1 A 122 122 LEU H H 122 9.070 9.733 -0.663 1
1 1400 . 2 1 1 A 122 122 LEU HA H 122 5.270 5.012 0.258 1
1 1410 . 2 1 1 A 122 122 LEU CA C 122 53.300 53.683 -0.383 1
1 1411 . 2 1 1 A 122 122 LEU CB C 122 42.200 42.591 -0.391 1
1 1415 . 2 1 1 A 122 122 LEU N N 122 120.900 123.175 -2.275 1
1 1416 . 2 1 1 A 123 123 ILE H H 123 9.730 9.208 0.522 1
1 1417 . 2 1 1 A 123 123 ILE HA H 123 4.290 4.535 -0.245 1
1 1427 . 2 1 1 A 123 123 ILE CA C 123 61.400 60.620 0.780 1
1 1428 . 2 1 1 A 123 123 ILE CB C 123 38.000 37.994 0.006 1
1 1432 . 2 1 1 A 123 123 ILE N N 123 125.900 125.494 0.406 1
1 1433 . 2 1 1 A 124 124 LYS H H 124 8.080 8.918 -0.838 1
1 1434 . 2 1 1 A 124 124 LYS HA H 124 4.720 4.693 0.027 1
1 1443 . 2 1 1 A 124 124 LYS CA C 124 54.100 54.553 -0.453 1
1 1444 . 2 1 1 A 124 124 LYS CB C 124 34.700 34.760 -0.060 1
1 1448 . 2 1 1 A 124 124 LYS N N 124 124.600 127.698 -3.098 1
1 1449 . 2 1 1 A 125 125 LYS H H 125 8.830 8.921 -0.091 1
1 1450 . 2 1 1 A 125 125 LYS HA H 125 4.000 3.897 0.103 1
1 1459 . 2 1 1 A 125 125 LYS CA C 125 59.000 59.828 -0.828 1
1 1460 . 2 1 1 A 125 125 LYS CB C 125 31.700 32.308 -0.608 1
1 1464 . 2 1 1 A 125 125 LYS N N 125 120.900 123.858 -2.958 1
1 1465 . 2 1 1 A 126 126 ASP H H 126 8.160 7.734 0.426 1
1 1466 . 2 1 1 A 126 126 ASP HA H 126 4.650 4.421 0.229 1
1 1469 . 2 1 1 A 126 126 ASP CA C 126 53.100 56.854 -3.754 1
1 1470 . 2 1 1 A 126 126 ASP CB C 126 40.300 41.153 -0.853 1
1 1471 . 2 1 1 A 126 126 ASP N N 126 113.200 118.636 -5.436 1
1 1472 . 2 1 1 A 127 127 GLY H H 127 7.370 7.552 -0.182 1
1 1473 . 2 1 1 A 127 127 GLY HA2 H 127 4.300 4.056 0.244 1
1 1474 . 2 1 1 A 127 127 GLY HA3 H 127 3.900 4.069 -0.169 1
1 1475 . 2 1 1 A 127 127 GLY CA C 127 45.200 45.564 -0.364 1
1 1476 . 2 1 1 A 127 127 GLY N N 127 107.600 102.970 4.630 1
1 1477 . 2 1 1 A 128 128 VAL H H 128 8.130 8.421 -0.291 1
1 1478 . 2 1 1 A 128 128 VAL HA H 128 4.900 5.086 -0.186 1
1 1486 . 2 1 1 A 128 128 VAL CA C 128 60.900 60.462 0.438 1
1 1487 . 2 1 1 A 128 128 VAL CB C 128 34.000 34.194 -0.194 1
1 1490 . 2 1 1 A 128 128 VAL N N 128 118.900 119.563 -0.663 1
1 1491 . 2 1 1 A 129 129 ASP H H 129 9.250 9.379 -0.129 1
1 1492 . 2 1 1 A 129 129 ASP HA H 129 5.220 5.316 -0.096 1
1 1495 . 2 1 1 A 129 129 ASP CA C 129 52.300 52.457 -0.157 1
1 1496 . 2 1 1 A 129 129 ASP CB C 129 43.600 44.445 -0.845 1
1 1497 . 2 1 1 A 129 129 ASP N N 129 126.500 129.986 -3.486 1
1 1498 . 2 1 1 A 130 130 GLU H H 130 8.900 8.809 0.091 1
1 1499 . 2 1 1 A 130 130 GLU HA H 130 4.420 4.327 0.093 1
1 1504 . 2 1 1 A 130 130 GLU CA C 130 56.400 56.437 -0.037 1
1 1505 . 2 1 1 A 130 130 GLU CB C 130 29.800 29.913 -0.113 1
1 1507 . 2 1 1 A 130 130 GLU N N 130 124.000 125.053 -1.053 1
1 1508 . 2 1 1 A 131 131 GLU H H 131 8.860 8.952 -0.092 1
1 1509 . 2 1 1 A 131 131 GLU HA H 131 4.430 4.824 -0.394 1
1 1514 . 2 1 1 A 131 131 GLU CA C 131 53.500 54.658 -1.158 1
1 1515 . 2 1 1 A 131 131 GLU CB C 131 32.500 33.254 -0.754 1
1 1517 . 2 1 1 A 131 131 GLU N N 131 129.200 124.706 4.494 1
1 1518 . 2 1 1 A 132 132 GLU H H 132 8.610 8.665 -0.055 1
1 1519 . 2 1 1 A 132 132 GLU HA H 132 4.050 4.824 -0.774 1
1 1524 . 2 1 1 A 132 132 GLU CA C 132 57.100 55.481 1.619 1
1 1525 . 2 1 1 A 132 132 GLU CB C 132 30.100 31.547 -1.447 1
1 1527 . 2 1 1 A 132 132 GLU N N 132 126.400 125.363 1.037 1
1 1528 . 2 1 1 A 133 133 ILE H H 133 8.200 8.721 -0.521 1
1 1529 . 2 1 1 A 133 133 ILE HA H 133 4.740 4.670 0.070 1
1 1539 . 2 1 1 A 133 133 ILE CA C 133 60.000 59.833 0.167 1
1 1540 . 2 1 1 A 133 133 ILE CB C 133 39.300 39.949 -0.649 1
1 1544 . 2 1 1 A 133 133 ILE N N 133 124.500 126.165 -1.665 1
1 1545 . 2 1 1 A 134 134 ILE H H 134 9.000 9.513 -0.513 1
1 1546 . 2 1 1 A 134 134 ILE HA H 134 4.190 4.655 -0.465 1
1 1556 . 2 1 1 A 134 134 ILE CA C 134 59.000 60.114 -1.114 1
1 1557 . 2 1 1 A 134 134 ILE CB C 134 38.300 38.209 0.091 1
1 1561 . 2 1 1 A 134 134 ILE N N 134 130.900 128.097 2.803 1
1 1562 . 2 1 1 A 135 135 LEU H H 135 8.360 9.169 -0.809 1
1 1563 . 2 1 1 A 135 135 LEU HA H 135 5.190 5.152 0.038 1
1 1573 . 2 1 1 A 135 135 LEU CA C 135 52.700 53.837 -1.137 1
1 1574 . 2 1 1 A 135 135 LEU CB C 135 42.800 42.756 0.044 1
1 1578 . 2 1 1 A 135 135 LEU N N 135 127.100 128.820 -1.720 1
1 1579 . 2 1 1 A 136 136 LYS H H 136 8.790 8.805 -0.015 1
1 1580 . 2 1 1 A 136 136 LYS HA H 136 4.330 4.563 -0.233 1
1 1589 . 2 1 1 A 136 136 LYS CA C 136 55.600 54.921 0.679 1
1 1590 . 2 1 1 A 136 136 LYS CB C 136 34.600 33.964 0.636 1
1 1594 . 2 1 1 A 136 136 LYS N N 136 125.100 124.706 0.394 1
1 1595 . 2 1 1 A 137 137 GLU H H 137 8.850 9.009 -0.159 1
1 1596 . 2 1 1 A 137 137 GLU HA H 137 4.240 4.291 -0.051 1
1 1601 . 2 1 1 A 137 137 GLU CA C 137 57.600 58.012 -0.412 1
1 1602 . 2 1 1 A 137 137 GLU CB C 137 29.900 31.273 -1.373 1
1 1604 . 2 1 1 A 137 137 GLU N N 137 121.100 122.287 -1.187 1
1 1605 . 2 1 1 A 138 138 GLU H H 138 8.150 7.743 0.407 1
1 1606 . 2 1 1 A 138 138 GLU HA H 138 4.370 4.754 -0.384 1
1 1611 . 2 1 1 A 138 138 GLU CA C 138 55.800 54.533 1.267 1
1 1612 . 2 1 1 A 138 138 GLU CB C 138 30.700 34.582 -3.882 1
1 1614 . 2 1 1 A 138 138 GLU N N 138 119.300 116.529 2.771 1
1 1615 . 2 1 1 A 139 139 LEU H H 139 8.240 8.443 -0.203 1
1 1616 . 2 1 1 A 139 139 LEU HA H 139 4.180 4.530 -0.350 1
1 1626 . 2 1 1 A 139 139 LEU CA C 139 55.400 54.241 1.159 1
1 1627 . 2 1 1 A 139 139 LEU CB C 139 42.300 42.376 -0.076 1
1 1631 . 2 1 1 A 139 139 LEU N N 139 122.800 121.453 1.347 1
1 1632 . 2 1 1 A 140 140 GLU H H 140 8.250 8.532 -0.282 1
1 1633 . 2 1 1 A 140 140 GLU HA H 140 4.150 4.535 -0.385 1
1 1638 . 2 1 1 A 140 140 GLU CA C 140 56.400 57.097 -0.697 1
1 1639 . 2 1 1 A 140 140 GLU CB C 140 29.900 30.360 -0.460 1
1 1641 . 2 1 1 A 140 140 GLU N N 140 120.700 120.819 -0.119 1
1 1642 . 2 1 1 A 141 141 HIS H H 141 8.400 8.768 -0.368 1
1 13 . 3 1 1 A 2 2 ILE H H 2 8.780 8.347 0.433 1
1 14 . 3 1 1 A 2 2 ILE HA H 2 5.060 4.987 0.073 1
1 24 . 3 1 1 A 2 2 ILE CA C 2 58.500 59.390 -0.890 1
1 25 . 3 1 1 A 2 2 ILE CB C 2 41.300 40.812 0.488 1
1 29 . 3 1 1 A 2 2 ILE N N 2 124.600 121.618 2.982 1
1 30 . 3 1 1 A 3 3 THR H H 3 8.280 9.064 -0.784 1
1 31 . 3 1 1 A 3 3 THR HA H 3 5.350 5.253 0.097 1
1 36 . 3 1 1 A 3 3 THR CA C 3 60.900 61.822 -0.922 1
1 37 . 3 1 1 A 3 3 THR CB C 3 69.900 70.262 -0.362 1
1 39 . 3 1 1 A 3 3 THR N N 3 123.200 125.317 -2.117 1
1 40 . 3 1 1 A 4 4 LEU H H 4 8.710 9.130 -0.420 1
1 41 . 3 1 1 A 4 4 LEU HA H 4 5.040 5.136 -0.096 1
1 51 . 3 1 1 A 4 4 LEU CA C 4 53.800 53.313 0.487 1
1 52 . 3 1 1 A 4 4 LEU CB C 4 45.800 45.849 -0.049 1
1 56 . 3 1 1 A 4 4 LEU N N 4 127.600 122.679 4.921 1
1 57 . 3 1 1 A 5 5 THR H H 5 8.440 8.442 -0.002 1
1 58 . 3 1 1 A 5 5 THR HA H 5 5.040 4.932 0.108 1
1 63 . 3 1 1 A 5 5 THR CA C 5 59.300 60.403 -1.103 1
1 64 . 3 1 1 A 5 5 THR CB C 5 71.000 71.545 -0.545 1
1 66 . 3 1 1 A 5 5 THR N N 5 109.500 111.783 -2.283 1
1 67 . 3 1 1 A 6 6 LYS H H 6 8.730 9.006 -0.276 1
1 68 . 3 1 1 A 6 6 LYS HA H 6 3.810 3.970 -0.160 1
1 77 . 3 1 1 A 6 6 LYS CA C 6 60.000 60.383 -0.383 1
1 78 . 3 1 1 A 6 6 LYS CB C 6 32.000 32.052 -0.052 1
1 82 . 3 1 1 A 6 6 LYS N N 6 121.500 122.634 -1.134 1
1 83 . 3 1 1 A 7 7 LYS H H 7 8.290 8.015 0.275 1
1 84 . 3 1 1 A 7 7 LYS HA H 7 3.990 3.963 0.027 1
1 93 . 3 1 1 A 7 7 LYS CA C 7 59.200 59.733 -0.533 1
1 94 . 3 1 1 A 7 7 LYS CB C 7 32.400 32.373 0.027 1
1 98 . 3 1 1 A 7 7 LYS N N 7 118.800 118.718 0.082 1
1 99 . 3 1 1 A 8 8 GLN H H 8 7.650 7.912 -0.262 1
1 100 . 3 1 1 A 8 8 GLN HA H 8 3.890 4.060 -0.170 1
1 107 . 3 1 1 A 8 8 GLN CA C 8 58.100 58.995 -0.895 1
1 108 . 3 1 1 A 8 8 GLN CB C 8 27.400 28.046 -0.646 1
1 110 . 3 1 1 A 8 8 GLN N N 8 119.800 118.416 1.384 1
1 112 . 3 1 1 A 9 9 MET H H 9 8.130 8.131 -0.001 1
1 113 . 3 1 1 A 9 9 MET HA H 9 4.130 4.062 0.068 1
1 121 . 3 1 1 A 9 9 MET CA C 9 57.500 58.167 -0.667 1
1 122 . 3 1 1 A 9 9 MET CB C 9 30.900 32.039 -1.139 1
1 125 . 3 1 1 A 9 9 MET N N 9 118.300 119.964 -1.664 1
1 126 . 3 1 1 A 10 10 GLU H H 10 8.460 8.285 0.175 1
1 127 . 3 1 1 A 10 10 GLU HA H 10 3.890 3.983 -0.093 1
1 132 . 3 1 1 A 10 10 GLU CA C 10 59.100 59.602 -0.502 1
1 133 . 3 1 1 A 10 10 GLU CB C 10 28.500 29.276 -0.776 1
1 135 . 3 1 1 A 10 10 GLU N N 10 118.500 118.448 0.052 1
1 136 . 3 1 1 A 11 11 GLU H H 11 8.200 8.609 -0.409 1
1 137 . 3 1 1 A 11 11 GLU HA H 11 4.070 4.045 0.025 1
1 142 . 3 1 1 A 11 11 GLU CA C 11 59.200 59.287 -0.087 1
1 143 . 3 1 1 A 11 11 GLU CB C 11 28.900 29.182 -0.282 1
1 145 . 3 1 1 A 11 11 GLU N N 11 120.800 120.421 0.379 1
1 146 . 3 1 1 A 12 12 MET H H 12 7.780 8.069 -0.289 1
1 147 . 3 1 1 A 12 12 MET HA H 12 3.390 4.198 -0.808 1
1 155 . 3 1 1 A 12 12 MET CA C 12 60.600 58.662 1.938 1
1 156 . 3 1 1 A 12 12 MET CB C 12 33.900 33.108 0.792 1
1 159 . 3 1 1 A 12 12 MET N N 12 119.300 119.291 0.009 1
1 160 . 3 1 1 A 13 13 LEU H H 13 8.340 8.649 -0.309 1
1 161 . 3 1 1 A 13 13 LEU HA H 13 3.770 4.063 -0.293 1
1 171 . 3 1 1 A 13 13 LEU CA C 13 58.000 57.935 0.065 1
1 172 . 3 1 1 A 13 13 LEU CB C 13 41.400 41.711 -0.311 1
1 176 . 3 1 1 A 13 13 LEU N N 13 118.600 119.986 -1.386 1
1 177 . 3 1 1 A 14 14 ALA H H 14 8.620 8.667 -0.047 1
1 178 . 3 1 1 A 14 14 ALA HA H 14 4.100 4.106 -0.006 1
1 182 . 3 1 1 A 14 14 ALA CA C 14 55.200 55.262 -0.062 1
1 183 . 3 1 1 A 14 14 ALA CB C 14 17.800 18.209 -0.409 1
1 184 . 3 1 1 A 14 14 ALA N N 14 121.500 121.125 0.375 1
1 185 . 3 1 1 A 15 15 HIS H H 15 7.780 7.869 -0.089 1
1 186 . 3 1 1 A 15 15 HIS HA H 15 4.460 4.288 0.172 1
1 190 . 3 1 1 A 15 15 HIS CA C 15 59.000 59.588 -0.588 1
1 191 . 3 1 1 A 15 15 HIS CB C 15 29.300 29.580 -0.280 1
1 193 . 3 1 1 A 15 15 HIS N N 15 116.700 118.194 -1.494 1
1 194 . 3 1 1 A 16 16 ALA H H 16 8.390 8.542 -0.152 1
1 195 . 3 1 1 A 16 16 ALA HA H 16 4.100 3.990 0.110 1
1 199 . 3 1 1 A 16 16 ALA CA C 16 54.500 55.409 -0.909 1
1 200 . 3 1 1 A 16 16 ALA CB C 16 18.200 18.149 0.051 1
1 201 . 3 1 1 A 16 16 ALA N N 16 120.000 121.178 -1.178 1
1 202 . 3 1 1 A 17 17 ARG H H 17 8.820 8.301 0.519 1
1 203 . 3 1 1 A 17 17 ARG HA H 17 3.890 4.055 -0.165 1
1 210 . 3 1 1 A 17 17 ARG CA C 17 59.900 59.614 0.286 1
1 211 . 3 1 1 A 17 17 ARG CB C 17 30.100 29.862 0.238 1
1 214 . 3 1 1 A 17 17 ARG N N 17 118.900 117.356 1.544 1
1 215 . 3 1 1 A 18 18 GLN H H 18 8.130 8.118 0.012 1
1 216 . 3 1 1 A 18 18 GLN HA H 18 4.060 4.072 -0.012 1
1 223 . 3 1 1 A 18 18 GLN CA C 18 57.900 58.868 -0.968 1
1 224 . 3 1 1 A 18 18 GLN CB C 18 28.000 28.798 -0.798 1
1 226 . 3 1 1 A 18 18 GLN N N 18 118.100 119.214 -1.114 1
1 228 . 3 1 1 A 19 19 ALA H H 19 7.090 7.545 -0.455 1
1 229 . 3 1 1 A 19 19 ALA HA H 19 4.220 4.153 0.067 1
1 233 . 3 1 1 A 19 19 ALA CA C 19 52.300 54.420 -2.120 1
1 234 . 3 1 1 A 19 19 ALA CB C 19 20.600 18.851 1.749 1
1 235 . 3 1 1 A 19 19 ALA N N 19 117.600 120.236 -2.636 1
1 236 . 3 1 1 A 20 20 LEU H H 20 7.020 7.955 -0.935 1
1 237 . 3 1 1 A 20 20 LEU HA H 20 4.110 4.370 -0.260 1
1 247 . 3 1 1 A 20 20 LEU CA C 20 54.600 53.906 0.694 1
1 248 . 3 1 1 A 20 20 LEU CB C 20 40.400 41.619 -1.219 1
1 252 . 3 1 1 A 20 20 LEU N N 20 117.900 120.462 -2.562 1
1 253 . 3 1 1 A 21 21 PRO HA H 21 4.320 4.782 -0.462 1
1 260 . 3 1 1 A 21 21 PRO CA C 21 63.700 62.145 1.555 1
1 261 . 3 1 1 A 21 21 PRO CB C 21 35.000 32.120 2.880 1
1 264 . 3 1 1 A 22 22 ASN H H 22 8.690 8.833 -0.143 1
1 265 . 3 1 1 A 22 22 ASN HA H 22 4.570 4.905 -0.335 1
1 270 . 3 1 1 A 22 22 ASN CA C 22 52.400 53.374 -0.974 1
1 271 . 3 1 1 A 22 22 ASN CB C 22 40.000 41.689 -1.689 1
1 272 . 3 1 1 A 22 22 ASN N N 22 122.000 121.549 0.451 1
1 274 . 3 1 1 A 23 23 GLU H H 23 8.540 8.129 0.411 1
1 275 . 3 1 1 A 23 23 GLU HA H 23 4.050 4.559 -0.509 1
1 280 . 3 1 1 A 23 23 GLU CA C 23 57.300 57.190 0.110 1
1 281 . 3 1 1 A 23 23 GLU CB C 23 29.000 28.689 0.311 1
1 283 . 3 1 1 A 23 23 GLU N N 23 116.100 117.606 -1.506 1
1 284 . 3 1 1 A 24 24 ALA H H 24 8.390 8.424 -0.034 1
1 285 . 3 1 1 A 24 24 ALA HA H 24 5.040 4.509 0.531 1
1 289 . 3 1 1 A 24 24 ALA CA C 24 48.900 52.725 -3.825 1
1 290 . 3 1 1 A 24 24 ALA CB C 24 23.200 19.252 3.948 1
1 291 . 3 1 1 A 24 24 ALA N N 24 124.800 126.278 -1.478 1
1 292 . 3 1 1 A 25 25 CYS H H 25 8.910 8.958 -0.048 1
1 293 . 3 1 1 A 25 25 CYS HA H 25 5.000 5.532 -0.532 1
1 296 . 3 1 1 A 25 25 CYS CA C 25 55.000 57.744 -2.744 1
1 297 . 3 1 1 A 25 25 CYS CB C 25 32.600 31.933 0.667 1
1 298 . 3 1 1 A 25 25 CYS N N 25 111.700 121.986 -10.286 1
1 299 . 3 1 1 A 26 26 GLY H H 26 7.110 7.676 -0.566 1
1 300 . 3 1 1 A 26 26 GLY HA2 H 26 3.820 3.830 -0.010 1
1 301 . 3 1 1 A 26 26 GLY HA3 H 26 4.070 3.995 0.075 1
1 302 . 3 1 1 A 26 26 GLY CA C 26 46.500 45.934 0.566 1
1 303 . 3 1 1 A 26 26 GLY N N 26 103.200 108.670 -5.470 1
1 304 . 3 1 1 A 27 27 LEU H H 27 8.830 8.756 0.074 1
1 305 . 3 1 1 A 27 27 LEU HA H 27 5.200 5.335 -0.135 1
1 315 . 3 1 1 A 27 27 LEU CA C 27 53.200 53.288 -0.088 1
1 316 . 3 1 1 A 27 27 LEU CB C 27 46.600 45.706 0.894 1
1 320 . 3 1 1 A 27 27 LEU N N 27 116.700 121.732 -5.032 1
1 321 . 3 1 1 A 28 28 LEU H H 28 8.060 8.949 -0.889 1
1 322 . 3 1 1 A 28 28 LEU HA H 28 5.200 5.227 -0.027 1
1 332 . 3 1 1 A 28 28 LEU CA C 28 53.400 52.988 0.412 1
1 333 . 3 1 1 A 28 28 LEU CB C 28 44.900 44.326 0.574 1
1 337 . 3 1 1 A 28 28 LEU N N 28 118.200 121.766 -3.566 1
1 338 . 3 1 1 A 29 29 GLY H H 29 9.210 9.028 0.182 1
1 339 . 3 1 1 A 29 29 GLY HA2 H 29 3.750 4.326 -0.576 1
1 340 . 3 1 1 A 29 29 GLY HA3 H 29 5.800 4.449 1.351 1
1 341 . 3 1 1 A 29 29 GLY CA C 29 43.600 44.519 -0.919 1
1 342 . 3 1 1 A 29 29 GLY N N 29 109.500 112.480 -2.980 1
1 343 . 3 1 1 A 30 30 GLY H H 30 9.520 8.525 0.995 1
1 344 . 3 1 1 A 30 30 GLY HA2 H 30 3.210 3.891 -0.681 1
1 345 . 3 1 1 A 30 30 GLY HA3 H 30 4.800 4.285 0.515 1
1 346 . 3 1 1 A 30 30 GLY CA C 30 47.500 46.126 1.374 1
1 347 . 3 1 1 A 30 30 GLY N N 30 111.700 110.300 1.400 1
1 348 . 3 1 1 A 31 31 ARG H H 31 8.900 8.219 0.681 1
1 349 . 3 1 1 A 31 31 ARG HA H 31 5.170 5.264 -0.094 1
1 356 . 3 1 1 A 31 31 ARG CA C 31 54.200 54.483 -0.283 1
1 357 . 3 1 1 A 31 31 ARG CB C 31 34.200 34.660 -0.460 1
1 360 . 3 1 1 A 31 31 ARG N N 31 123.000 121.389 1.611 1
1 361 . 3 1 1 A 32 32 ARG H H 32 9.070 9.046 0.024 1
1 362 . 3 1 1 A 32 32 ARG HA H 32 5.140 5.787 -0.647 1
1 369 . 3 1 1 A 32 32 ARG CA C 32 54.700 54.791 -0.091 1
1 370 . 3 1 1 A 32 32 ARG CB C 32 33.700 33.222 0.478 1
1 373 . 3 1 1 A 32 32 ARG N N 32 121.500 119.614 1.886 1
1 374 . 3 1 1 A 33 33 ASP H H 33 8.640 9.084 -0.444 1
1 375 . 3 1 1 A 33 33 ASP HA H 33 4.850 5.143 -0.293 1
1 378 . 3 1 1 A 33 33 ASP CA C 33 53.400 53.194 0.206 1
1 379 . 3 1 1 A 33 33 ASP CB C 33 42.100 43.233 -1.133 1
1 380 . 3 1 1 A 33 33 ASP N N 33 124.200 123.233 0.967 1
1 381 . 3 1 1 A 34 34 GLY H H 34 9.020 9.312 -0.292 1
1 382 . 3 1 1 A 34 34 GLY HA2 H 34 3.670 3.949 -0.279 1
1 383 . 3 1 1 A 34 34 GLY HA3 H 34 4.000 3.956 0.044 1
1 384 . 3 1 1 A 34 34 GLY CA C 34 47.200 45.944 1.256 1
1 385 . 3 1 1 A 34 34 GLY N N 34 115.900 114.025 1.875 1
1 386 . 3 1 1 A 35 35 ASP H H 35 9.070 8.649 0.421 1
1 387 . 3 1 1 A 35 35 ASP HA H 35 4.650 4.486 0.164 1
1 390 . 3 1 1 A 35 35 ASP CA C 35 54.800 55.636 -0.836 1
1 391 . 3 1 1 A 35 35 ASP CB C 35 41.000 40.551 0.449 1
1 392 . 3 1 1 A 35 35 ASP N N 35 127.300 118.348 8.952 1
1 393 . 3 1 1 A 36 36 ASP H H 36 8.070 8.066 0.004 1
1 394 . 3 1 1 A 36 36 ASP HA H 36 4.950 4.457 0.493 1
1 397 . 3 1 1 A 36 36 ASP CA C 36 53.700 54.830 -1.130 1
1 398 . 3 1 1 A 36 36 ASP CB C 36 41.700 41.458 0.242 1
1 399 . 3 1 1 A 36 36 ASP N N 36 120.600 121.980 -1.380 1
1 400 . 3 1 1 A 37 37 ARG H H 37 8.070 7.968 0.102 1
1 401 . 3 1 1 A 37 37 ARG HA H 37 4.850 5.011 -0.161 1
1 408 . 3 1 1 A 37 37 ARG CA C 37 55.400 54.389 1.011 1
1 409 . 3 1 1 A 37 37 ARG CB C 37 32.900 33.423 -0.523 1
1 412 . 3 1 1 A 37 37 ARG N N 37 120.800 119.310 1.490 1
1 413 . 3 1 1 A 38 38 TRP H H 38 9.380 9.191 0.189 1
1 414 . 3 1 1 A 38 38 TRP HA H 38 4.840 5.481 -0.641 1
1 423 . 3 1 1 A 38 38 TRP CA C 38 57.000 55.690 1.310 1
1 424 . 3 1 1 A 38 38 TRP CB C 38 30.100 31.532 -1.432 1
1 430 . 3 1 1 A 38 38 TRP N N 38 124.900 123.419 1.481 1
1 432 . 3 1 1 A 39 39 VAL H H 39 8.450 9.170 -0.720 1
1 433 . 3 1 1 A 39 39 VAL HA H 39 3.390 3.982 -0.592 1
1 441 . 3 1 1 A 39 39 VAL CA C 39 64.500 63.084 1.416 1
1 442 . 3 1 1 A 39 39 VAL CB C 39 31.500 30.655 0.845 1
1 445 . 3 1 1 A 39 39 VAL N N 39 124.400 125.259 -0.859 1
1 446 . 3 1 1 A 40 40 GLU H H 40 9.080 8.346 0.734 1
1 447 . 3 1 1 A 40 40 GLU HA H 40 4.350 4.180 0.170 1
1 452 . 3 1 1 A 40 40 GLU CA C 40 54.900 57.902 -3.002 1
1 453 . 3 1 1 A 40 40 GLU CB C 40 29.500 30.530 -1.030 1
1 455 . 3 1 1 A 40 40 GLU N N 40 124.200 127.241 -3.041 1
1 456 . 3 1 1 A 41 41 ARG H H 41 7.610 7.343 0.267 1
1 457 . 3 1 1 A 41 41 ARG HA H 41 4.070 4.659 -0.589 1
1 464 . 3 1 1 A 41 41 ARG CA C 41 56.800 55.070 1.730 1
1 465 . 3 1 1 A 41 41 ARG CB C 41 33.600 33.070 0.530 1
1 468 . 3 1 1 A 41 41 ARG N N 41 120.000 120.200 -0.200 1
1 469 . 3 1 1 A 42 42 VAL H H 42 8.460 8.657 -0.197 1
1 470 . 3 1 1 A 42 42 VAL HA H 42 4.300 4.509 -0.209 1
1 478 . 3 1 1 A 42 42 VAL CA C 42 60.900 61.143 -0.243 1
1 479 . 3 1 1 A 42 42 VAL CB C 42 32.900 33.100 -0.200 1
1 482 . 3 1 1 A 42 42 VAL N N 42 125.600 126.856 -1.256 1
1 483 . 3 1 1 A 43 43 TYR H H 43 9.070 8.951 0.119 1
1 484 . 3 1 1 A 43 43 TYR HA H 43 4.930 5.032 -0.102 1
1 491 . 3 1 1 A 43 43 TYR CA C 43 54.600 55.683 -1.083 1
1 492 . 3 1 1 A 43 43 TYR CB C 43 38.500 39.108 -0.608 1
1 495 . 3 1 1 A 43 43 TYR N N 43 124.800 126.944 -2.144 1
1 496 . 3 1 1 A 44 44 PRO HA H 44 4.260 4.582 -0.322 1
1 503 . 3 1 1 A 44 44 PRO CA C 44 63.200 62.394 0.806 1
1 504 . 3 1 1 A 44 44 PRO CB C 44 30.100 31.489 -1.389 1
1 507 . 3 1 1 A 45 45 LEU H H 45 8.270 8.765 -0.495 1
1 508 . 3 1 1 A 45 45 LEU HA H 45 4.930 4.899 0.031 1
1 518 . 3 1 1 A 45 45 LEU CA C 45 53.800 53.251 0.549 1
1 519 . 3 1 1 A 45 45 LEU CB C 45 45.600 44.108 1.492 1
1 523 . 3 1 1 A 45 45 LEU N N 45 125.800 123.973 1.827 1
1 524 . 3 1 1 A 46 46 ASN H H 46 9.120 8.307 0.813 1
1 525 . 3 1 1 A 46 46 ASN HA H 46 4.630 5.445 -0.815 1
1 530 . 3 1 1 A 46 46 ASN CA C 46 56.000 51.788 4.212 1
1 531 . 3 1 1 A 46 46 ASN CB C 46 39.000 42.178 -3.178 1
1 532 . 3 1 1 A 46 46 ASN N N 46 119.000 118.104 0.896 1
1 534 . 3 1 1 A 47 47 ASN H H 47 8.460 8.186 0.274 1
1 535 . 3 1 1 A 47 47 ASN HA H 47 5.260 4.758 0.502 1
1 540 . 3 1 1 A 47 47 ASN CA C 47 51.200 52.599 -1.399 1
1 541 . 3 1 1 A 47 47 ASN CB C 47 37.700 38.440 -0.740 1
1 542 . 3 1 1 A 47 47 ASN N N 47 118.500 122.545 -4.045 1
1 544 . 3 1 1 A 48 48 LEU H H 48 8.890 8.652 0.238 1
1 545 . 3 1 1 A 48 48 LEU HA H 48 4.070 4.154 -0.084 1
1 555 . 3 1 1 A 48 48 LEU CA C 48 56.800 57.002 -0.202 1
1 556 . 3 1 1 A 48 48 LEU CB C 48 41.600 42.038 -0.438 1
1 560 . 3 1 1 A 48 48 LEU N N 48 127.100 127.848 -0.748 1
1 561 . 3 1 1 A 49 49 ASP H H 49 7.820 7.970 -0.150 1
1 562 . 3 1 1 A 49 49 ASP HA H 49 4.430 4.977 -0.547 1
1 565 . 3 1 1 A 49 49 ASP CA C 49 54.500 53.155 1.345 1
1 566 . 3 1 1 A 49 49 ASP CB C 49 40.100 42.901 -2.801 1
1 567 . 3 1 1 A 49 49 ASP N N 49 115.700 119.345 -3.645 1
1 568 . 3 1 1 A 50 50 GLN H H 50 7.770 8.625 -0.855 1
1 569 . 3 1 1 A 50 50 GLN HA H 50 3.880 4.406 -0.526 1
1 576 . 3 1 1 A 50 50 GLN CA C 50 56.000 55.710 0.290 1
1 577 . 3 1 1 A 50 50 GLN CB C 50 27.400 27.035 0.365 1
1 579 . 3 1 1 A 50 50 GLN N N 50 115.300 124.360 -9.060 1
1 581 . 3 1 1 A 51 51 SER H H 51 6.370 7.929 -1.559 1
1 582 . 3 1 1 A 51 51 SER HA H 51 5.210 4.822 0.388 1
1 585 . 3 1 1 A 51 51 SER CA C 51 53.700 56.011 -2.311 1
1 586 . 3 1 1 A 51 51 SER CB C 51 66.100 66.288 -0.188 1
1 587 . 3 1 1 A 51 51 SER N N 51 109.000 117.060 -8.060 1
1 588 . 3 1 1 A 52 52 PRO HA H 52 4.830 4.880 -0.050 1
1 595 . 3 1 1 A 52 52 PRO CA C 52 64.000 63.891 0.109 1
1 596 . 3 1 1 A 52 52 PRO CB C 52 33.300 32.951 0.349 1
1 599 . 3 1 1 A 53 53 GLU H H 53 8.320 8.136 0.184 1
1 600 . 3 1 1 A 53 53 GLU HA H 53 4.510 4.568 -0.058 1
1 605 . 3 1 1 A 53 53 GLU CA C 53 55.700 56.549 -0.849 1
1 606 . 3 1 1 A 53 53 GLU CB C 53 32.400 31.184 1.216 1
1 608 . 3 1 1 A 53 53 GLU N N 53 113.900 117.976 -4.076 1
1 609 . 3 1 1 A 54 54 HIS H H 54 7.070 7.566 -0.496 1
1 610 . 3 1 1 A 54 54 HIS HA H 54 4.750 5.295 -0.545 1
1 614 . 3 1 1 A 54 54 HIS CA C 54 54.100 53.757 0.343 1
1 615 . 3 1 1 A 54 54 HIS CB C 54 31.100 33.338 -2.238 1
1 617 . 3 1 1 A 54 54 HIS N N 54 112.500 117.825 -5.325 1
1 618 . 3 1 1 A 55 55 PHE H H 55 7.900 8.967 -1.067 1
1 619 . 3 1 1 A 55 55 PHE HA H 55 5.580 5.210 0.370 1
1 627 . 3 1 1 A 55 55 PHE CA C 55 55.400 55.687 -0.287 1
1 628 . 3 1 1 A 55 55 PHE CB C 55 41.200 42.243 -1.043 1
1 632 . 3 1 1 A 55 55 PHE N N 55 114.900 123.924 -9.024 1
1 633 . 3 1 1 A 56 56 SER H H 56 7.690 8.674 -0.984 1
1 634 . 3 1 1 A 56 56 SER HA H 56 4.300 4.611 -0.311 1
1 637 . 3 1 1 A 56 56 SER CA C 56 57.800 57.362 0.438 1
1 638 . 3 1 1 A 56 56 SER CB C 56 65.300 66.654 -1.354 1
1 639 . 3 1 1 A 56 56 SER N N 56 112.900 123.105 -10.205 1
1 640 . 3 1 1 A 57 57 MET H H 57 8.750 8.537 0.213 1
1 641 . 3 1 1 A 57 57 MET HA H 57 4.860 4.918 -0.058 1
1 649 . 3 1 1 A 57 57 MET CA C 57 54.400 53.797 0.603 1
1 650 . 3 1 1 A 57 57 MET CB C 57 36.000 34.760 1.240 1
1 653 . 3 1 1 A 57 57 MET N N 57 120.000 123.748 -3.748 1
1 654 . 3 1 1 A 58 58 ASP H H 58 10.180 8.945 1.235 1
1 655 . 3 1 1 A 58 58 ASP HA H 58 4.740 4.858 -0.118 1
1 658 . 3 1 1 A 58 58 ASP CA C 58 51.700 51.511 0.189 1
1 659 . 3 1 1 A 58 58 ASP CB C 58 42.700 42.620 0.080 1
1 660 . 3 1 1 A 58 58 ASP N N 58 126.600 121.570 5.030 1
1 661 . 3 1 1 A 59 59 PRO HA H 59 4.400 4.221 0.179 1
1 668 . 3 1 1 A 59 59 PRO CA C 59 65.300 64.701 0.599 1
1 669 . 3 1 1 A 59 59 PRO CB C 59 32.300 32.121 0.179 1
1 672 . 3 1 1 A 60 60 ARG H H 60 8.520 8.345 0.175 1
1 673 . 3 1 1 A 60 60 ARG HA H 60 4.120 4.093 0.027 1
1 680 . 3 1 1 A 60 60 ARG CA C 60 59.200 59.218 -0.018 1
1 681 . 3 1 1 A 60 60 ARG CB C 60 29.500 29.915 -0.415 1
1 684 . 3 1 1 A 60 60 ARG N N 60 118.700 118.329 0.371 1
1 685 . 3 1 1 A 61 61 GLU H H 61 7.730 8.343 -0.613 1
1 686 . 3 1 1 A 61 61 GLU HA H 61 4.190 4.061 0.129 1
1 691 . 3 1 1 A 61 61 GLU CA C 61 59.000 59.451 -0.451 1
1 692 . 3 1 1 A 61 61 GLU CB C 61 30.200 29.090 1.110 1
1 694 . 3 1 1 A 61 61 GLU N N 61 119.800 117.623 2.177 1
1 695 . 3 1 1 A 62 62 GLN H H 62 8.220 7.740 0.480 1
1 696 . 3 1 1 A 62 62 GLN HA H 62 3.830 3.999 -0.169 1
1 703 . 3 1 1 A 62 62 GLN CA C 62 59.900 58.831 1.069 1
1 704 . 3 1 1 A 62 62 GLN CB C 62 29.000 28.445 0.555 1
1 706 . 3 1 1 A 62 62 GLN N N 62 118.700 119.329 -0.629 1
1 708 . 3 1 1 A 63 63 LEU H H 63 7.950 7.937 0.013 1
1 709 . 3 1 1 A 63 63 LEU HA H 63 4.110 4.021 0.089 1
1 719 . 3 1 1 A 63 63 LEU CA C 63 58.000 58.157 -0.157 1
1 720 . 3 1 1 A 63 63 LEU CB C 63 41.400 41.676 -0.276 1
1 724 . 3 1 1 A 63 63 LEU N N 63 119.200 122.044 -2.844 1
1 725 . 3 1 1 A 64 64 THR H H 64 7.910 7.838 0.072 1
1 726 . 3 1 1 A 64 64 THR HA H 64 3.790 3.911 -0.121 1
1 731 . 3 1 1 A 64 64 THR CA C 64 66.800 66.237 0.563 1
1 732 . 3 1 1 A 64 64 THR CB C 64 68.700 68.342 0.358 1
1 734 . 3 1 1 A 64 64 THR N N 64 116.000 114.655 1.345 1
1 735 . 3 1 1 A 65 65 ALA H H 65 7.520 7.649 -0.129 1
1 736 . 3 1 1 A 65 65 ALA HA H 65 3.970 4.011 -0.041 1
1 740 . 3 1 1 A 65 65 ALA CA C 65 55.100 54.945 0.155 1
1 741 . 3 1 1 A 65 65 ALA CB C 65 17.900 18.058 -0.158 1
1 742 . 3 1 1 A 65 65 ALA N N 65 125.200 123.349 1.851 1
1 743 . 3 1 1 A 66 66 VAL H H 66 8.420 7.913 0.507 1
1 744 . 3 1 1 A 66 66 VAL HA H 66 3.840 3.282 0.558 1
1 752 . 3 1 1 A 66 66 VAL CA C 66 66.200 67.091 -0.891 1
1 753 . 3 1 1 A 66 66 VAL CB C 66 31.700 31.449 0.251 1
1 756 . 3 1 1 A 66 66 VAL N N 66 119.300 118.724 0.576 1
1 757 . 3 1 1 A 67 67 LYS H H 67 8.570 8.118 0.452 1
1 758 . 3 1 1 A 67 67 LYS HA H 67 3.960 3.923 0.037 1
1 767 . 3 1 1 A 67 67 LYS CA C 67 60.300 60.030 0.270 1
1 768 . 3 1 1 A 67 67 LYS CB C 67 32.200 31.981 0.219 1
1 772 . 3 1 1 A 67 67 LYS N N 67 120.600 119.319 1.281 1
1 773 . 3 1 1 A 68 68 ASP H H 68 7.660 8.060 -0.400 1
1 774 . 3 1 1 A 68 68 ASP HA H 68 4.290 4.449 -0.159 1
1 777 . 3 1 1 A 68 68 ASP CA C 68 58.300 57.483 0.817 1
1 778 . 3 1 1 A 68 68 ASP CB C 68 42.700 41.154 1.546 1
1 779 . 3 1 1 A 68 68 ASP N N 68 121.500 119.765 1.735 1
1 780 . 3 1 1 A 69 69 MET H H 69 8.620 8.264 0.356 1
1 781 . 3 1 1 A 69 69 MET HA H 69 4.250 4.590 -0.340 1
1 789 . 3 1 1 A 69 69 MET CA C 69 60.300 58.788 1.512 1
1 790 . 3 1 1 A 69 69 MET CB C 69 32.700 32.024 0.676 1
1 793 . 3 1 1 A 69 69 MET N N 69 120.100 118.987 1.113 1
1 794 . 3 1 1 A 70 70 ARG H H 70 8.500 8.602 -0.102 1
1 795 . 3 1 1 A 70 70 ARG HA H 70 4.110 4.090 0.020 1
1 802 . 3 1 1 A 70 70 ARG CA C 70 59.200 58.804 0.396 1
1 803 . 3 1 1 A 70 70 ARG CB C 70 29.600 29.800 -0.200 1
1 806 . 3 1 1 A 70 70 ARG N N 70 119.000 120.018 -1.018 1
1 807 . 3 1 1 A 71 71 LYS H H 71 8.020 7.730 0.290 1
1 808 . 3 1 1 A 71 71 LYS HA H 71 3.970 3.998 -0.028 1
1 817 . 3 1 1 A 71 71 LYS CA C 71 58.800 59.122 -0.322 1
1 818 . 3 1 1 A 71 71 LYS CB C 71 32.000 32.146 -0.146 1
1 822 . 3 1 1 A 71 71 LYS N N 71 121.100 119.773 1.327 1
1 823 . 3 1 1 A 72 72 ASN H H 72 6.960 7.607 -0.647 1
1 824 . 3 1 1 A 72 72 ASN HA H 72 4.090 4.456 -0.366 1
1 829 . 3 1 1 A 72 72 ASN CA C 72 53.300 52.739 0.561 1
1 830 . 3 1 1 A 72 72 ASN CB C 72 39.000 38.112 0.888 1
1 831 . 3 1 1 A 72 72 ASN N N 72 114.600 113.941 0.659 1
1 833 . 3 1 1 A 73 73 GLY H H 73 7.560 7.466 0.094 1
1 834 . 3 1 1 A 73 73 GLY HA2 H 73 3.890 3.810 0.080 1
1 835 . 3 1 1 A 73 73 GLY HA3 H 73 3.760 3.866 -0.106 1
1 836 . 3 1 1 A 73 73 GLY CA C 73 45.900 45.254 0.646 1
1 837 . 3 1 1 A 73 73 GLY N N 73 106.700 105.338 1.362 1
1 838 . 3 1 1 A 74 74 TRP H H 74 8.240 7.801 0.439 1
1 839 . 3 1 1 A 74 74 TRP HA H 74 5.260 4.750 0.510 1
1 848 . 3 1 1 A 74 74 TRP CA C 74 53.100 57.373 -4.273 1
1 849 . 3 1 1 A 74 74 TRP CB C 74 31.400 30.344 1.056 1
1 855 . 3 1 1 A 74 74 TRP N N 74 120.700 120.978 -0.278 1
1 857 . 3 1 1 A 75 75 VAL H H 75 9.410 9.292 0.118 1
1 858 . 3 1 1 A 75 75 VAL HA H 75 4.800 4.846 -0.046 1
1 866 . 3 1 1 A 75 75 VAL CA C 75 58.500 59.142 -0.642 1
1 867 . 3 1 1 A 75 75 VAL CB C 75 35.500 35.395 0.105 1
1 870 . 3 1 1 A 75 75 VAL N N 75 112.100 115.580 -3.480 1
1 871 . 3 1 1 A 76 76 MET H H 76 8.800 8.731 0.069 1
1 872 . 3 1 1 A 76 76 MET HA H 76 4.650 4.490 0.160 1
1 880 . 3 1 1 A 76 76 MET CA C 76 56.900 56.055 0.845 1
1 881 . 3 1 1 A 76 76 MET CB C 76 32.600 33.174 -0.574 1
1 884 . 3 1 1 A 76 76 MET N N 76 122.400 122.738 -0.338 1
1 885 . 3 1 1 A 77 77 LEU H H 77 8.780 9.313 -0.533 1
1 886 . 3 1 1 A 77 77 LEU HA H 77 4.480 4.521 -0.041 1
1 896 . 3 1 1 A 77 77 LEU CA C 77 54.100 55.775 -1.675 1
1 897 . 3 1 1 A 77 77 LEU CB C 77 44.700 42.992 1.708 1
1 901 . 3 1 1 A 77 77 LEU N N 77 125.600 127.712 -2.112 1
1 902 . 3 1 1 A 78 78 GLY H H 78 7.590 7.507 0.083 1
1 903 . 3 1 1 A 78 78 GLY HA2 H 78 5.150 4.002 1.148 1
1 904 . 3 1 1 A 78 78 GLY HA3 H 78 3.660 4.009 -0.349 1
1 905 . 3 1 1 A 78 78 GLY CA C 78 45.700 45.426 0.274 1
1 906 . 3 1 1 A 78 78 GLY N N 78 102.900 104.941 -2.041 1
1 907 . 3 1 1 A 79 79 ASN H H 79 8.520 8.267 0.253 1
1 908 . 3 1 1 A 79 79 ASN HA H 79 5.230 5.719 -0.489 1
1 913 . 3 1 1 A 79 79 ASN CA C 79 51.100 51.869 -0.769 1
1 914 . 3 1 1 A 79 79 ASN CB C 79 41.500 42.383 -0.883 1
1 915 . 3 1 1 A 79 79 ASN N N 79 115.600 117.617 -2.017 1
1 917 . 3 1 1 A 80 80 PHE H H 80 8.410 8.620 -0.210 1
1 918 . 3 1 1 A 80 80 PHE HA H 80 6.120 5.823 0.297 1
1 926 . 3 1 1 A 80 80 PHE CA C 80 54.500 56.012 -1.512 1
1 927 . 3 1 1 A 80 80 PHE CB C 80 44.800 43.022 1.778 1
1 931 . 3 1 1 A 80 80 PHE N N 80 113.100 116.494 -3.394 1
1 932 . 3 1 1 A 81 81 HIS H H 81 8.310 9.009 -0.699 1
1 933 . 3 1 1 A 81 81 HIS HA H 81 5.300 5.916 -0.616 1
1 938 . 3 1 1 A 81 81 HIS CA C 81 54.400 54.450 -0.050 1
1 939 . 3 1 1 A 81 81 HIS CB C 81 30.300 32.702 -2.402 1
1 942 . 3 1 1 A 81 81 HIS N N 81 111.600 115.932 -4.332 1
1 943 . 3 1 1 A 82 82 SER H H 82 8.390 8.899 -0.509 1
1 944 . 3 1 1 A 82 82 SER HA H 82 5.510 5.186 0.324 1
1 947 . 3 1 1 A 82 82 SER CA C 82 54.800 56.562 -1.762 1
1 948 . 3 1 1 A 82 82 SER CB C 82 66.700 65.077 1.623 1
1 949 . 3 1 1 A 82 82 SER N N 82 112.700 117.235 -4.535 1
1 950 . 3 1 1 A 83 83 HIS H H 83 8.890 9.087 -0.197 1
1 951 . 3 1 1 A 83 83 HIS HA H 83 5.480 4.840 0.640 1
1 956 . 3 1 1 A 83 83 HIS CA C 83 49.900 54.425 -4.525 1
1 957 . 3 1 1 A 83 83 HIS CB C 83 32.000 30.802 1.198 1
1 960 . 3 1 1 A 83 83 HIS N N 83 115.200 124.551 -9.351 1
1 961 . 3 1 1 A 84 84 PRO HA H 84 3.940 4.482 -0.542 1
1 968 . 3 1 1 A 84 84 PRO CA C 84 65.600 64.743 0.857 1
1 969 . 3 1 1 A 84 84 PRO CB C 84 33.300 32.185 1.115 1
1 972 . 3 1 1 A 85 85 ALA H H 85 8.410 7.589 0.821 1
1 973 . 3 1 1 A 85 85 ALA HA H 85 4.670 4.509 0.161 1
1 977 . 3 1 1 A 85 85 ALA CA C 85 51.300 51.398 -0.098 1
1 978 . 3 1 1 A 85 85 ALA CB C 85 21.200 19.028 2.172 1
1 979 . 3 1 1 A 85 85 ALA N N 85 112.800 119.104 -6.304 1
1 980 . 3 1 1 A 86 86 THR H H 86 7.070 8.666 -1.596 1
1 981 . 3 1 1 A 86 86 THR HA H 86 4.960 4.847 0.113 1
1 986 . 3 1 1 A 86 86 THR CA C 86 58.600 58.684 -0.084 1
1 987 . 3 1 1 A 86 86 THR CB C 86 69.500 70.409 -0.909 1
1 989 . 3 1 1 A 86 86 THR N N 86 109.200 115.897 -6.697 1
1 990 . 3 1 1 A 87 87 PRO HA H 87 4.630 4.560 0.070 1
1 997 . 3 1 1 A 87 87 PRO CA C 87 62.700 62.474 0.226 1
1 998 . 3 1 1 A 87 87 PRO CB C 87 33.500 32.415 1.085 1
1 1001 . 3 1 1 A 88 88 ALA H H 88 9.760 8.348 1.412 1
1 1002 . 3 1 1 A 88 88 ALA HA H 88 3.960 4.556 -0.596 1
1 1006 . 3 1 1 A 88 88 ALA CA C 88 51.700 51.435 0.265 1
1 1007 . 3 1 1 A 88 88 ALA CB C 88 16.300 18.414 -2.114 1
1 1008 . 3 1 1 A 88 88 ALA N N 88 127.600 124.123 3.477 1
1 1009 . 3 1 1 A 89 89 ARG H H 89 7.570 8.080 -0.510 1
1 1010 . 3 1 1 A 89 89 ARG HA H 89 4.280 4.816 -0.536 1
1 1017 . 3 1 1 A 89 89 ARG CA C 89 53.200 53.724 -0.524 1
1 1018 . 3 1 1 A 89 89 ARG CB C 89 31.300 33.498 -2.198 1
1 1021 . 3 1 1 A 89 89 ARG N N 89 118.300 118.567 -0.267 1
1 1022 . 3 1 1 A 90 90 PRO HA H 90 4.510 4.396 0.114 1
1 1029 . 3 1 1 A 90 90 PRO CA C 90 62.900 62.361 0.539 1
1 1030 . 3 1 1 A 90 90 PRO CB C 90 31.300 31.332 -0.032 1
1 1033 . 3 1 1 A 91 91 SER H H 91 9.630 8.401 1.229 1
1 1034 . 3 1 1 A 91 91 SER HA H 91 4.600 4.529 0.071 1
1 1037 . 3 1 1 A 91 91 SER CA C 91 56.500 58.677 -2.177 1
1 1038 . 3 1 1 A 91 91 SER CB C 91 66.000 64.283 1.717 1
1 1039 . 3 1 1 A 91 91 SER N N 91 122.500 118.501 3.999 1
1 1040 . 3 1 1 A 92 92 ALA H H 92 8.910 8.973 -0.063 1
1 1041 . 3 1 1 A 92 92 ALA HA H 92 3.980 3.937 0.043 1
1 1045 . 3 1 1 A 92 92 ALA CA C 92 55.900 55.331 0.569 1
1 1046 . 3 1 1 A 92 92 ALA CB C 92 17.800 17.977 -0.177 1
1 1047 . 3 1 1 A 92 92 ALA N N 92 123.000 125.339 -2.339 1
1 1048 . 3 1 1 A 93 93 GLU H H 93 8.370 8.167 0.203 1
1 1049 . 3 1 1 A 93 93 GLU HA H 93 4.070 4.026 0.044 1
1 1054 . 3 1 1 A 93 93 GLU CA C 93 58.900 59.374 -0.474 1
1 1055 . 3 1 1 A 93 93 GLU CB C 93 28.800 29.324 -0.524 1
1 1057 . 3 1 1 A 93 93 GLU N N 93 118.800 116.601 2.199 1
1 1058 . 3 1 1 A 94 94 ASP H H 94 7.770 8.180 -0.410 1
1 1059 . 3 1 1 A 94 94 ASP HA H 94 4.260 4.324 -0.064 1
1 1062 . 3 1 1 A 94 94 ASP CA C 94 57.100 56.905 0.195 1
1 1063 . 3 1 1 A 94 94 ASP CB C 94 40.200 39.968 0.232 1
1 1064 . 3 1 1 A 94 94 ASP N N 94 119.200 120.282 -1.082 1
1 1065 . 3 1 1 A 95 95 LYS H H 95 7.830 8.007 -0.177 1
1 1066 . 3 1 1 A 95 95 LYS HA H 95 3.720 3.807 -0.087 1
1 1075 . 3 1 1 A 95 95 LYS CA C 95 59.500 58.928 0.572 1
1 1076 . 3 1 1 A 95 95 LYS CB C 95 31.900 31.933 -0.033 1
1 1080 . 3 1 1 A 95 95 LYS N N 95 116.400 120.745 -4.345 1
1 1081 . 3 1 1 A 96 96 ARG H H 96 7.570 7.438 0.132 1
1 1082 . 3 1 1 A 96 96 ARG HA H 96 3.940 4.013 -0.073 1
1 1089 . 3 1 1 A 96 96 ARG CA C 96 58.500 58.652 -0.152 1
1 1090 . 3 1 1 A 96 96 ARG CB C 96 30.100 30.007 0.093 1
1 1093 . 3 1 1 A 96 96 ARG N N 96 119.400 119.318 0.082 1
1 1094 . 3 1 1 A 97 97 LEU H H 97 7.270 7.415 -0.145 1
1 1095 . 3 1 1 A 97 97 LEU HA H 97 4.030 3.850 0.180 1
1 1105 . 3 1 1 A 97 97 LEU CA C 97 54.400 54.428 -0.028 1
1 1106 . 3 1 1 A 97 97 LEU CB C 97 41.600 41.132 0.468 1
1 1110 . 3 1 1 A 97 97 LEU N N 97 116.100 117.766 -1.666 1
1 1111 . 3 1 1 A 98 98 ALA H H 98 6.950 7.166 -0.216 1
1 1112 . 3 1 1 A 98 98 ALA HA H 98 4.230 4.060 0.170 1
1 1116 . 3 1 1 A 98 98 ALA CA C 98 50.800 51.278 -0.478 1
1 1117 . 3 1 1 A 98 98 ALA CB C 98 16.700 18.406 -1.706 1
1 1118 . 3 1 1 A 98 98 ALA N N 98 124.800 124.097 0.703 1
1 1119 . 3 1 1 A 99 99 PHE H H 99 7.630 8.405 -0.775 1
1 1120 . 3 1 1 A 99 99 PHE HA H 99 4.490 4.636 -0.146 1
1 1128 . 3 1 1 A 99 99 PHE CA C 99 58.200 59.325 -1.125 1
1 1129 . 3 1 1 A 99 99 PHE CB C 99 39.500 39.871 -0.371 1
1 1133 . 3 1 1 A 99 99 PHE N N 99 120.400 122.408 -2.008 1
1 1134 . 3 1 1 A 100 100 ASP H H 100 7.320 8.444 -1.124 1
1 1135 . 3 1 1 A 100 100 ASP HA H 100 5.240 5.020 0.220 1
1 1138 . 3 1 1 A 100 100 ASP CA C 100 49.900 51.918 -2.018 1
1 1139 . 3 1 1 A 100 100 ASP CB C 100 42.200 41.347 0.853 1
1 1140 . 3 1 1 A 100 100 ASP N N 100 118.200 119.535 -1.335 1
1 1141 . 3 1 1 A 101 101 PRO HA H 101 5.040 4.614 0.426 1
1 1148 . 3 1 1 A 101 101 PRO CA C 101 64.200 64.852 -0.652 1
1 1149 . 3 1 1 A 101 101 PRO CB C 101 32.800 32.149 0.651 1
1 1152 . 3 1 1 A 102 102 SER H H 102 8.950 8.282 0.668 1
1 1153 . 3 1 1 A 102 102 SER HA H 102 4.530 4.783 -0.253 1
1 1156 . 3 1 1 A 102 102 SER CA C 102 59.300 57.697 1.603 1
1 1157 . 3 1 1 A 102 102 SER CB C 102 64.500 64.611 -0.111 1
1 1158 . 3 1 1 A 102 102 SER N N 102 117.700 111.810 5.890 1
1 1159 . 3 1 1 A 103 103 LEU H H 103 6.850 7.432 -0.582 1
1 1160 . 3 1 1 A 103 103 LEU HA H 103 4.200 4.228 -0.028 1
1 1170 . 3 1 1 A 103 103 LEU CA C 103 53.700 53.696 0.004 1
1 1171 . 3 1 1 A 103 103 LEU CB C 103 41.800 43.490 -1.690 1
1 1175 . 3 1 1 A 103 103 LEU N N 103 121.100 123.779 -2.679 1
1 1176 . 3 1 1 A 104 104 SER H H 104 8.080 8.994 -0.914 1
1 1177 . 3 1 1 A 104 104 SER HA H 104 4.310 4.782 -0.472 1
1 1180 . 3 1 1 A 104 104 SER CA C 104 60.300 57.364 2.936 1
1 1181 . 3 1 1 A 104 104 SER CB C 104 63.300 63.582 -0.282 1
1 1182 . 3 1 1 A 104 104 SER N N 104 116.100 118.494 -2.394 1
1 1183 . 3 1 1 A 105 105 TYR H H 105 8.790 8.861 -0.071 1
1 1184 . 3 1 1 A 105 105 TYR HA H 105 4.750 5.356 -0.606 1
1 1191 . 3 1 1 A 105 105 TYR CA C 105 57.100 57.345 -0.245 1
1 1192 . 3 1 1 A 105 105 TYR CB C 105 37.700 39.402 -1.702 1
1 1195 . 3 1 1 A 105 105 TYR N N 105 122.700 126.149 -3.449 1
1 1196 . 3 1 1 A 106 106 LEU H H 106 8.750 9.447 -0.697 1
1 1197 . 3 1 1 A 106 106 LEU HA H 106 5.290 5.412 -0.122 1
1 1207 . 3 1 1 A 106 106 LEU CA C 106 56.000 53.800 2.200 1
1 1208 . 3 1 1 A 106 106 LEU CB C 106 43.400 43.289 0.111 1
1 1212 . 3 1 1 A 106 106 LEU N N 106 125.200 125.054 0.146 1
1 1213 . 3 1 1 A 107 107 ILE H H 107 9.480 9.373 0.107 1
1 1214 . 3 1 1 A 107 107 ILE HA H 107 4.630 4.923 -0.293 1
1 1224 . 3 1 1 A 107 107 ILE CA C 107 59.700 59.865 -0.165 1
1 1225 . 3 1 1 A 107 107 ILE CB C 107 40.500 40.448 0.052 1
1 1229 . 3 1 1 A 107 107 ILE N N 107 123.800 124.266 -0.466 1
1 1230 . 3 1 1 A 108 108 ILE H H 108 7.820 8.881 -1.061 1
1 1231 . 3 1 1 A 108 108 ILE HA H 108 4.950 4.834 0.116 1
1 1241 . 3 1 1 A 108 108 ILE CA C 108 58.600 59.990 -1.390 1
1 1242 . 3 1 1 A 108 108 ILE CB C 108 41.700 40.199 1.501 1
1 1246 . 3 1 1 A 108 108 ILE N N 108 125.200 129.235 -4.035 1
1 1247 . 3 1 1 A 109 109 SER H H 109 9.780 8.969 0.811 1
1 1248 . 3 1 1 A 109 109 SER HA H 109 5.430 5.118 0.312 1
1 1251 . 3 1 1 A 109 109 SER CA C 109 56.400 56.373 0.027 1
1 1252 . 3 1 1 A 109 109 SER CB C 109 64.900 64.491 0.409 1
1 1253 . 3 1 1 A 109 109 SER N N 109 120.300 121.518 -1.218 1
1 1254 . 3 1 1 A 110 110 LEU H H 110 8.110 8.633 -0.523 1
1 1255 . 3 1 1 A 110 110 LEU HA H 110 4.630 4.632 -0.002 1
1 1265 . 3 1 1 A 110 110 LEU CA C 110 53.300 54.435 -1.135 1
1 1266 . 3 1 1 A 110 110 LEU CB C 110 41.100 41.204 -0.104 1
1 1270 . 3 1 1 A 110 110 LEU N N 110 130.700 128.670 2.030 1
1 1271 . 3 1 1 A 111 111 ALA H H 111 7.390 7.734 -0.344 1
1 1272 . 3 1 1 A 111 111 ALA HA H 111 3.920 4.148 -0.228 1
1 1276 . 3 1 1 A 111 111 ALA CA C 111 55.200 54.372 0.828 1
1 1277 . 3 1 1 A 111 111 ALA CB C 111 17.900 18.516 -0.616 1
1 1278 . 3 1 1 A 111 111 ALA N N 111 121.000 123.009 -2.009 1
1 1279 . 3 1 1 A 112 112 GLU H H 112 8.290 7.793 0.497 1
1 1280 . 3 1 1 A 112 112 GLU HA H 112 4.830 4.555 0.275 1
1 1285 . 3 1 1 A 112 112 GLU CA C 112 52.600 53.131 -0.531 1
1 1286 . 3 1 1 A 112 112 GLU CB C 112 29.300 30.300 -1.000 1
1 1288 . 3 1 1 A 112 112 GLU N N 112 116.400 118.333 -1.933 1
1 1289 . 3 1 1 A 113 113 PRO HA H 113 3.940 4.384 -0.444 1
1 1296 . 3 1 1 A 113 113 PRO CA C 113 65.600 64.772 0.828 1
1 1297 . 3 1 1 A 113 113 PRO CB C 113 31.900 31.928 -0.028 1
1 1300 . 3 1 1 A 114 114 GLN H H 114 8.610 8.394 0.216 1
1 1301 . 3 1 1 A 114 114 GLN HA H 114 4.250 4.379 -0.129 1
1 1308 . 3 1 1 A 114 114 GLN CA C 114 56.100 56.490 -0.390 1
1 1309 . 3 1 1 A 114 114 GLN CB C 114 28.300 29.043 -0.743 1
1 1311 . 3 1 1 A 114 114 GLN N N 114 113.500 115.829 -2.329 1
1 1313 . 3 1 1 A 115 115 LYS H H 115 8.040 7.730 0.310 1
1 1314 . 3 1 1 A 115 115 LYS HA H 115 4.620 4.746 -0.126 1
1 1323 . 3 1 1 A 115 115 LYS CA C 115 53.500 53.777 -0.277 1
1 1324 . 3 1 1 A 115 115 LYS CB C 115 33.400 33.265 0.135 1
1 1328 . 3 1 1 A 115 115 LYS N N 115 121.000 119.516 1.484 1
1 1329 . 3 1 1 A 116 116 PRO HA H 116 4.560 4.846 -0.286 1
1 1336 . 3 1 1 A 116 116 PRO CA C 116 62.900 62.751 0.149 1
1 1337 . 3 1 1 A 116 116 PRO CB C 116 32.500 31.951 0.549 1
1 1340 . 3 1 1 A 117 117 VAL H H 117 7.850 8.252 -0.402 1
1 1341 . 3 1 1 A 117 117 VAL HA H 117 4.360 4.352 0.008 1
1 1349 . 3 1 1 A 117 117 VAL CA C 117 61.200 61.365 -0.165 1
1 1350 . 3 1 1 A 117 117 VAL CB C 117 35.900 33.205 2.695 1
1 1353 . 3 1 1 A 117 117 VAL N N 117 120.600 123.693 -3.093 1
1 1354 . 3 1 1 A 118 118 CYS H H 118 8.820 9.004 -0.184 1
1 1355 . 3 1 1 A 118 118 CYS HA H 118 5.340 5.630 -0.290 1
1 1358 . 3 1 1 A 118 118 CYS CA C 118 56.400 56.896 -0.496 1
1 1359 . 3 1 1 A 118 118 CYS CB C 118 28.700 29.879 -1.179 1
1 1360 . 3 1 1 A 118 118 CYS N N 118 127.100 126.277 0.823 1
1 1361 . 3 1 1 A 119 119 LYS H H 119 8.530 8.835 -0.305 1
1 1362 . 3 1 1 A 119 119 LYS HA H 119 4.590 4.764 -0.174 1
1 1371 . 3 1 1 A 119 119 LYS CA C 119 54.900 54.660 0.240 1
1 1372 . 3 1 1 A 119 119 LYS CB C 119 39.600 36.292 3.308 1
1 1376 . 3 1 1 A 119 119 LYS N N 119 126.400 124.863 1.537 1
1 1377 . 3 1 1 A 120 120 SER H H 120 8.220 8.322 -0.102 1
1 1378 . 3 1 1 A 120 120 SER HA H 120 4.870 5.621 -0.751 1
1 1381 . 3 1 1 A 120 120 SER CA C 120 56.300 55.975 0.325 1
1 1382 . 3 1 1 A 120 120 SER CB C 120 63.300 65.513 -2.213 1
1 1383 . 3 1 1 A 120 120 SER N N 120 114.500 116.158 -1.658 1
1 1384 . 3 1 1 A 121 121 PHE H H 121 8.450 9.503 -1.053 1
1 1385 . 3 1 1 A 121 121 PHE HA H 121 5.160 5.180 -0.020 1
1 1393 . 3 1 1 A 121 121 PHE CA C 121 57.200 56.299 0.901 1
1 1394 . 3 1 1 A 121 121 PHE CB C 121 42.700 42.298 0.402 1
1 1398 . 3 1 1 A 121 121 PHE N N 121 124.400 123.813 0.587 1
1 1399 . 3 1 1 A 122 122 LEU H H 122 9.070 9.722 -0.652 1
1 1400 . 3 1 1 A 122 122 LEU HA H 122 5.270 5.131 0.139 1
1 1410 . 3 1 1 A 122 122 LEU CA C 122 53.300 53.860 -0.560 1
1 1411 . 3 1 1 A 122 122 LEU CB C 122 42.200 42.102 0.098 1
1 1415 . 3 1 1 A 122 122 LEU N N 122 120.900 123.906 -3.006 1
1 1416 . 3 1 1 A 123 123 ILE H H 123 9.730 9.354 0.376 1
1 1417 . 3 1 1 A 123 123 ILE HA H 123 4.290 4.638 -0.348 1
1 1427 . 3 1 1 A 123 123 ILE CA C 123 61.400 60.466 0.934 1
1 1428 . 3 1 1 A 123 123 ILE CB C 123 38.000 38.539 -0.539 1
1 1432 . 3 1 1 A 123 123 ILE N N 123 125.900 125.846 0.054 1
1 1433 . 3 1 1 A 124 124 LYS H H 124 8.080 8.999 -0.919 1
1 1434 . 3 1 1 A 124 124 LYS HA H 124 4.720 4.681 0.039 1
1 1443 . 3 1 1 A 124 124 LYS CA C 124 54.100 54.623 -0.523 1
1 1444 . 3 1 1 A 124 124 LYS CB C 124 34.700 34.875 -0.175 1
1 1448 . 3 1 1 A 124 124 LYS N N 124 124.600 127.497 -2.897 1
1 1449 . 3 1 1 A 125 125 LYS H H 125 8.830 8.889 -0.059 1
1 1450 . 3 1 1 A 125 125 LYS HA H 125 4.000 3.880 0.120 1
1 1459 . 3 1 1 A 125 125 LYS CA C 125 59.000 59.950 -0.950 1
1 1460 . 3 1 1 A 125 125 LYS CB C 125 31.700 32.279 -0.579 1
1 1464 . 3 1 1 A 125 125 LYS N N 125 120.900 123.873 -2.973 1
1 1465 . 3 1 1 A 126 126 ASP H H 126 8.160 7.910 0.250 1
1 1466 . 3 1 1 A 126 126 ASP HA H 126 4.650 4.396 0.254 1
1 1469 . 3 1 1 A 126 126 ASP CA C 126 53.100 56.791 -3.691 1
1 1470 . 3 1 1 A 126 126 ASP CB C 126 40.300 41.399 -1.099 1
1 1471 . 3 1 1 A 126 126 ASP N N 126 113.200 119.639 -6.439 1
1 1472 . 3 1 1 A 127 127 GLY H H 127 7.370 7.717 -0.347 1
1 1473 . 3 1 1 A 127 127 GLY HA2 H 127 4.300 4.080 0.220 1
1 1474 . 3 1 1 A 127 127 GLY HA3 H 127 3.900 4.090 -0.190 1
1 1475 . 3 1 1 A 127 127 GLY CA C 127 45.200 45.316 -0.116 1
1 1476 . 3 1 1 A 127 127 GLY N N 127 107.600 105.954 1.646 1
1 1477 . 3 1 1 A 128 128 VAL H H 128 8.130 8.337 -0.207 1
1 1478 . 3 1 1 A 128 128 VAL HA H 128 4.900 5.338 -0.438 1
1 1486 . 3 1 1 A 128 128 VAL CA C 128 60.900 58.988 1.912 1
1 1487 . 3 1 1 A 128 128 VAL CB C 128 34.000 35.409 -1.409 1
1 1490 . 3 1 1 A 128 128 VAL N N 128 118.900 118.680 0.220 1
1 1491 . 3 1 1 A 129 129 ASP H H 129 9.250 9.154 0.096 1
1 1492 . 3 1 1 A 129 129 ASP HA H 129 5.220 5.357 -0.137 1
1 1495 . 3 1 1 A 129 129 ASP CA C 129 52.300 52.429 -0.129 1
1 1496 . 3 1 1 A 129 129 ASP CB C 129 43.600 43.798 -0.198 1
1 1497 . 3 1 1 A 129 129 ASP N N 129 126.500 128.126 -1.626 1
1 1498 . 3 1 1 A 130 130 GLU H H 130 8.900 8.842 0.058 1
1 1499 . 3 1 1 A 130 130 GLU HA H 130 4.420 4.705 -0.285 1
1 1504 . 3 1 1 A 130 130 GLU CA C 130 56.400 56.173 0.227 1
1 1505 . 3 1 1 A 130 130 GLU CB C 130 29.800 30.173 -0.373 1
1 1507 . 3 1 1 A 130 130 GLU N N 130 124.000 125.118 -1.118 1
1 1508 . 3 1 1 A 131 131 GLU H H 131 8.860 8.708 0.152 1
1 1509 . 3 1 1 A 131 131 GLU HA H 131 4.430 4.728 -0.298 1
1 1514 . 3 1 1 A 131 131 GLU CA C 131 53.500 55.479 -1.979 1
1 1515 . 3 1 1 A 131 131 GLU CB C 131 32.500 31.155 1.345 1
1 1517 . 3 1 1 A 131 131 GLU N N 131 129.200 125.197 4.003 1
1 1518 . 3 1 1 A 132 132 GLU H H 132 8.610 8.564 0.046 1
1 1519 . 3 1 1 A 132 132 GLU HA H 132 4.050 4.469 -0.419 1
1 1524 . 3 1 1 A 132 132 GLU CA C 132 57.100 55.805 1.295 1
1 1525 . 3 1 1 A 132 132 GLU CB C 132 30.100 30.895 -0.795 1
1 1527 . 3 1 1 A 132 132 GLU N N 132 126.400 127.272 -0.872 1
1 1528 . 3 1 1 A 133 133 ILE H H 133 8.200 8.433 -0.233 1
1 1529 . 3 1 1 A 133 133 ILE HA H 133 4.740 4.417 0.323 1
1 1539 . 3 1 1 A 133 133 ILE CA C 133 60.000 60.053 -0.053 1
1 1540 . 3 1 1 A 133 133 ILE CB C 133 39.300 37.768 1.532 1
1 1544 . 3 1 1 A 133 133 ILE N N 133 124.500 125.175 -0.675 1
1 1545 . 3 1 1 A 134 134 ILE H H 134 9.000 9.665 -0.665 1
1 1546 . 3 1 1 A 134 134 ILE HA H 134 4.190 4.756 -0.566 1
1 1556 . 3 1 1 A 134 134 ILE CA C 134 59.000 59.660 -0.660 1
1 1557 . 3 1 1 A 134 134 ILE CB C 134 38.300 38.372 -0.072 1
1 1561 . 3 1 1 A 134 134 ILE N N 134 130.900 128.912 1.988 1
1 1562 . 3 1 1 A 135 135 LEU H H 135 8.360 9.094 -0.734 1
1 1563 . 3 1 1 A 135 135 LEU HA H 135 5.190 5.311 -0.121 1
1 1573 . 3 1 1 A 135 135 LEU CA C 135 52.700 53.227 -0.527 1
1 1574 . 3 1 1 A 135 135 LEU CB C 135 42.800 44.028 -1.228 1
1 1578 . 3 1 1 A 135 135 LEU N N 135 127.100 128.273 -1.173 1
1 1579 . 3 1 1 A 136 136 LYS H H 136 8.790 8.121 0.669 1
1 1580 . 3 1 1 A 136 136 LYS HA H 136 4.330 4.895 -0.565 1
1 1589 . 3 1 1 A 136 136 LYS CA C 136 55.600 54.688 0.912 1
1 1590 . 3 1 1 A 136 136 LYS CB C 136 34.600 36.182 -1.582 1
1 1594 . 3 1 1 A 136 136 LYS N N 136 125.100 121.960 3.140 1
1 1595 . 3 1 1 A 137 137 GLU H H 137 8.850 8.947 -0.097 1
1 1596 . 3 1 1 A 137 137 GLU HA H 137 4.240 4.162 0.078 1
1 1601 . 3 1 1 A 137 137 GLU CA C 137 57.600 58.455 -0.855 1
1 1602 . 3 1 1 A 137 137 GLU CB C 137 29.900 30.892 -0.992 1
1 1604 . 3 1 1 A 137 137 GLU N N 137 121.100 121.603 -0.503 1
1 1605 . 3 1 1 A 138 138 GLU H H 138 8.150 7.724 0.426 1
1 1606 . 3 1 1 A 138 138 GLU HA H 138 4.370 4.884 -0.514 1
1 1611 . 3 1 1 A 138 138 GLU CA C 138 55.800 54.729 1.071 1
1 1612 . 3 1 1 A 138 138 GLU CB C 138 30.700 34.546 -3.846 1
1 1614 . 3 1 1 A 138 138 GLU N N 138 119.300 117.359 1.941 1
1 1615 . 3 1 1 A 139 139 LEU H H 139 8.240 8.526 -0.286 1
1 1616 . 3 1 1 A 139 139 LEU HA H 139 4.180 4.523 -0.343 1
1 1626 . 3 1 1 A 139 139 LEU CA C 139 55.400 54.175 1.225 1
1 1627 . 3 1 1 A 139 139 LEU CB C 139 42.300 43.134 -0.834 1
1 1631 . 3 1 1 A 139 139 LEU N N 139 122.800 121.638 1.162 1
1 1632 . 3 1 1 A 140 140 GLU H H 140 8.250 8.806 -0.556 1
1 1633 . 3 1 1 A 140 140 GLU HA H 140 4.150 4.333 -0.183 1
1 1638 . 3 1 1 A 140 140 GLU CA C 140 56.400 58.720 -2.320 1
1 1639 . 3 1 1 A 140 140 GLU CB C 140 29.900 28.724 1.176 1
1 1641 . 3 1 1 A 140 140 GLU N N 140 120.700 117.479 3.221 1
1 1642 . 3 1 1 A 141 141 HIS H H 141 8.400 8.519 -0.119 1
1 13 . 4 1 1 A 2 2 ILE H H 2 8.780 8.628 0.152 1
1 14 . 4 1 1 A 2 2 ILE HA H 2 5.060 4.940 0.120 1
1 24 . 4 1 1 A 2 2 ILE CA C 2 58.500 59.207 -0.707 1
1 25 . 4 1 1 A 2 2 ILE CB C 2 41.300 40.701 0.599 1
1 29 . 4 1 1 A 2 2 ILE N N 2 124.600 122.379 2.221 1
1 30 . 4 1 1 A 3 3 THR H H 3 8.280 9.102 -0.822 1
1 31 . 4 1 1 A 3 3 THR HA H 3 5.350 5.381 -0.031 1
1 36 . 4 1 1 A 3 3 THR CA C 3 60.900 61.646 -0.746 1
1 37 . 4 1 1 A 3 3 THR CB C 3 69.900 70.998 -1.098 1
1 39 . 4 1 1 A 3 3 THR N N 3 123.200 124.175 -0.975 1
1 40 . 4 1 1 A 4 4 LEU H H 4 8.710 9.084 -0.374 1
1 41 . 4 1 1 A 4 4 LEU HA H 4 5.040 4.927 0.113 1
1 51 . 4 1 1 A 4 4 LEU CA C 4 53.800 53.591 0.209 1
1 52 . 4 1 1 A 4 4 LEU CB C 4 45.800 45.376 0.424 1
1 56 . 4 1 1 A 4 4 LEU N N 4 127.600 121.753 5.847 1
1 57 . 4 1 1 A 5 5 THR H H 5 8.440 8.250 0.190 1
1 58 . 4 1 1 A 5 5 THR HA H 5 5.040 5.138 -0.098 1
1 63 . 4 1 1 A 5 5 THR CA C 5 59.300 60.324 -1.024 1
1 64 . 4 1 1 A 5 5 THR CB C 5 71.000 71.809 -0.809 1
1 66 . 4 1 1 A 5 5 THR N N 5 109.500 111.779 -2.279 1
1 67 . 4 1 1 A 6 6 LYS H H 6 8.730 8.854 -0.124 1
1 68 . 4 1 1 A 6 6 LYS HA H 6 3.810 3.936 -0.126 1
1 77 . 4 1 1 A 6 6 LYS CA C 6 60.000 59.899 0.101 1
1 78 . 4 1 1 A 6 6 LYS CB C 6 32.000 32.257 -0.257 1
1 82 . 4 1 1 A 6 6 LYS N N 6 121.500 121.272 0.228 1
1 83 . 4 1 1 A 7 7 LYS H H 7 8.290 8.087 0.203 1
1 84 . 4 1 1 A 7 7 LYS HA H 7 3.990 3.892 0.098 1
1 93 . 4 1 1 A 7 7 LYS CA C 7 59.200 59.642 -0.442 1
1 94 . 4 1 1 A 7 7 LYS CB C 7 32.400 32.133 0.267 1
1 98 . 4 1 1 A 7 7 LYS N N 7 118.800 120.867 -2.067 1
1 99 . 4 1 1 A 8 8 GLN H H 8 7.650 7.557 0.093 1
1 100 . 4 1 1 A 8 8 GLN HA H 8 3.890 3.962 -0.072 1
1 107 . 4 1 1 A 8 8 GLN CA C 8 58.100 59.028 -0.928 1
1 108 . 4 1 1 A 8 8 GLN CB C 8 27.400 28.387 -0.987 1
1 110 . 4 1 1 A 8 8 GLN N N 8 119.800 118.065 1.735 1
1 112 . 4 1 1 A 9 9 MET H H 9 8.130 7.961 0.169 1
1 113 . 4 1 1 A 9 9 MET HA H 9 4.130 3.935 0.195 1
1 121 . 4 1 1 A 9 9 MET CA C 9 57.500 58.230 -0.730 1
1 122 . 4 1 1 A 9 9 MET CB C 9 30.900 31.943 -1.043 1
1 125 . 4 1 1 A 9 9 MET N N 9 118.300 119.671 -1.371 1
1 126 . 4 1 1 A 10 10 GLU H H 10 8.460 8.501 -0.041 1
1 127 . 4 1 1 A 10 10 GLU HA H 10 3.890 3.922 -0.032 1
1 132 . 4 1 1 A 10 10 GLU CA C 10 59.100 59.542 -0.442 1
1 133 . 4 1 1 A 10 10 GLU CB C 10 28.500 29.236 -0.736 1
1 135 . 4 1 1 A 10 10 GLU N N 10 118.500 117.948 0.552 1
1 136 . 4 1 1 A 11 11 GLU H H 11 8.200 8.441 -0.241 1
1 137 . 4 1 1 A 11 11 GLU HA H 11 4.070 4.004 0.066 1
1 142 . 4 1 1 A 11 11 GLU CA C 11 59.200 59.230 -0.030 1
1 143 . 4 1 1 A 11 11 GLU CB C 11 28.900 29.133 -0.233 1
1 145 . 4 1 1 A 11 11 GLU N N 11 120.800 120.442 0.358 1
1 146 . 4 1 1 A 12 12 MET H H 12 7.780 8.151 -0.371 1
1 147 . 4 1 1 A 12 12 MET HA H 12 3.390 3.995 -0.605 1
1 155 . 4 1 1 A 12 12 MET CA C 12 60.600 58.529 2.071 1
1 156 . 4 1 1 A 12 12 MET CB C 12 33.900 32.897 1.003 1
1 159 . 4 1 1 A 12 12 MET N N 12 119.300 119.255 0.045 1
1 160 . 4 1 1 A 13 13 LEU H H 13 8.340 8.720 -0.380 1
1 161 . 4 1 1 A 13 13 LEU HA H 13 3.770 3.967 -0.197 1
1 171 . 4 1 1 A 13 13 LEU CA C 13 58.000 57.958 0.042 1
1 172 . 4 1 1 A 13 13 LEU CB C 13 41.400 41.710 -0.310 1
1 176 . 4 1 1 A 13 13 LEU N N 13 118.600 119.721 -1.121 1
1 177 . 4 1 1 A 14 14 ALA H H 14 8.620 8.548 0.072 1
1 178 . 4 1 1 A 14 14 ALA HA H 14 4.100 4.076 0.024 1
1 182 . 4 1 1 A 14 14 ALA CA C 14 55.200 55.421 -0.221 1
1 183 . 4 1 1 A 14 14 ALA CB C 14 17.800 18.298 -0.498 1
1 184 . 4 1 1 A 14 14 ALA N N 14 121.500 120.935 0.565 1
1 185 . 4 1 1 A 15 15 HIS H H 15 7.780 7.819 -0.039 1
1 186 . 4 1 1 A 15 15 HIS HA H 15 4.460 4.295 0.165 1
1 190 . 4 1 1 A 15 15 HIS CA C 15 59.000 59.783 -0.783 1
1 191 . 4 1 1 A 15 15 HIS CB C 15 29.300 29.605 -0.305 1
1 193 . 4 1 1 A 15 15 HIS N N 15 116.700 118.048 -1.348 1
1 194 . 4 1 1 A 16 16 ALA H H 16 8.390 8.418 -0.028 1
1 195 . 4 1 1 A 16 16 ALA HA H 16 4.100 3.895 0.205 1
1 199 . 4 1 1 A 16 16 ALA CA C 16 54.500 55.338 -0.838 1
1 200 . 4 1 1 A 16 16 ALA CB C 16 18.200 18.279 -0.079 1
1 201 . 4 1 1 A 16 16 ALA N N 16 120.000 121.259 -1.259 1
1 202 . 4 1 1 A 17 17 ARG H H 17 8.820 8.390 0.430 1
1 203 . 4 1 1 A 17 17 ARG HA H 17 3.890 4.097 -0.207 1
1 210 . 4 1 1 A 17 17 ARG CA C 17 59.900 59.685 0.215 1
1 211 . 4 1 1 A 17 17 ARG CB C 17 30.100 29.846 0.254 1
1 214 . 4 1 1 A 17 17 ARG N N 17 118.900 117.377 1.523 1
1 215 . 4 1 1 A 18 18 GLN H H 18 8.130 7.889 0.241 1
1 216 . 4 1 1 A 18 18 GLN HA H 18 4.060 4.075 -0.015 1
1 223 . 4 1 1 A 18 18 GLN CA C 18 57.900 58.819 -0.919 1
1 224 . 4 1 1 A 18 18 GLN CB C 18 28.000 28.181 -0.181 1
1 226 . 4 1 1 A 18 18 GLN N N 18 118.100 118.831 -0.731 1
1 228 . 4 1 1 A 19 19 ALA H H 19 7.090 7.154 -0.064 1
1 229 . 4 1 1 A 19 19 ALA HA H 19 4.220 4.407 -0.187 1
1 233 . 4 1 1 A 19 19 ALA CA C 19 52.300 51.755 0.545 1
1 234 . 4 1 1 A 19 19 ALA CB C 19 20.600 19.600 1.000 1
1 235 . 4 1 1 A 19 19 ALA N N 19 117.600 119.317 -1.717 1
1 236 . 4 1 1 A 20 20 LEU H H 20 7.020 7.067 -0.047 1
1 237 . 4 1 1 A 20 20 LEU HA H 20 4.110 4.406 -0.296 1
1 247 . 4 1 1 A 20 20 LEU CA C 20 54.600 53.733 0.867 1
1 248 . 4 1 1 A 20 20 LEU CB C 20 40.400 41.671 -1.271 1
1 252 . 4 1 1 A 20 20 LEU N N 20 117.900 122.083 -4.183 1
1 253 . 4 1 1 A 21 21 PRO HA H 21 4.320 4.592 -0.272 1
1 260 . 4 1 1 A 21 21 PRO CA C 21 63.700 63.840 -0.140 1
1 261 . 4 1 1 A 21 21 PRO CB C 21 35.000 32.659 2.341 1
1 264 . 4 1 1 A 22 22 ASN H H 22 8.690 8.187 0.503 1
1 265 . 4 1 1 A 22 22 ASN HA H 22 4.570 4.875 -0.305 1
1 270 . 4 1 1 A 22 22 ASN CA C 22 52.400 52.676 -0.276 1
1 271 . 4 1 1 A 22 22 ASN CB C 22 40.000 38.757 1.243 1
1 272 . 4 1 1 A 22 22 ASN N N 22 122.000 119.122 2.878 1
1 274 . 4 1 1 A 23 23 GLU H H 23 8.540 8.104 0.436 1
1 275 . 4 1 1 A 23 23 GLU HA H 23 4.050 4.440 -0.390 1
1 280 . 4 1 1 A 23 23 GLU CA C 23 57.300 58.876 -1.576 1
1 281 . 4 1 1 A 23 23 GLU CB C 23 29.000 28.843 0.157 1
1 283 . 4 1 1 A 23 23 GLU N N 23 116.100 117.067 -0.967 1
1 284 . 4 1 1 A 24 24 ALA H H 24 8.390 8.445 -0.055 1
1 285 . 4 1 1 A 24 24 ALA HA H 24 5.040 5.289 -0.249 1
1 289 . 4 1 1 A 24 24 ALA CA C 24 48.900 50.435 -1.535 1
1 290 . 4 1 1 A 24 24 ALA CB C 24 23.200 22.894 0.306 1
1 291 . 4 1 1 A 24 24 ALA N N 24 124.800 123.679 1.121 1
1 292 . 4 1 1 A 25 25 CYS H H 25 8.910 9.005 -0.095 1
1 293 . 4 1 1 A 25 25 CYS HA H 25 5.000 5.271 -0.271 1
1 296 . 4 1 1 A 25 25 CYS CA C 25 55.000 57.603 -2.603 1
1 297 . 4 1 1 A 25 25 CYS CB C 25 32.600 31.891 0.709 1
1 298 . 4 1 1 A 25 25 CYS N N 25 111.700 118.857 -7.157 1
1 299 . 4 1 1 A 26 26 GLY H H 26 7.110 7.739 -0.629 1
1 300 . 4 1 1 A 26 26 GLY HA2 H 26 3.820 3.387 0.433 1
1 301 . 4 1 1 A 26 26 GLY HA3 H 26 4.070 3.973 0.097 1
1 302 . 4 1 1 A 26 26 GLY CA C 26 46.500 45.253 1.247 1
1 303 . 4 1 1 A 26 26 GLY N N 26 103.200 109.625 -6.425 1
1 304 . 4 1 1 A 27 27 LEU H H 27 8.830 8.809 0.021 1
1 305 . 4 1 1 A 27 27 LEU HA H 27 5.200 5.262 -0.062 1
1 315 . 4 1 1 A 27 27 LEU CA C 27 53.200 53.455 -0.255 1
1 316 . 4 1 1 A 27 27 LEU CB C 27 46.600 46.012 0.588 1
1 320 . 4 1 1 A 27 27 LEU N N 27 116.700 120.599 -3.899 1
1 321 . 4 1 1 A 28 28 LEU H H 28 8.060 8.572 -0.512 1
1 322 . 4 1 1 A 28 28 LEU HA H 28 5.200 5.391 -0.191 1
1 332 . 4 1 1 A 28 28 LEU CA C 28 53.400 52.999 0.401 1
1 333 . 4 1 1 A 28 28 LEU CB C 28 44.900 45.029 -0.129 1
1 337 . 4 1 1 A 28 28 LEU N N 28 118.200 121.424 -3.224 1
1 338 . 4 1 1 A 29 29 GLY H H 29 9.210 8.900 0.310 1
1 339 . 4 1 1 A 29 29 GLY HA2 H 29 3.750 4.281 -0.531 1
1 340 . 4 1 1 A 29 29 GLY HA3 H 29 5.800 4.315 1.485 1
1 341 . 4 1 1 A 29 29 GLY CA C 29 43.600 44.498 -0.898 1
1 342 . 4 1 1 A 29 29 GLY N N 29 109.500 111.892 -2.392 1
1 343 . 4 1 1 A 30 30 GLY H H 30 9.520 8.573 0.947 1
1 344 . 4 1 1 A 30 30 GLY HA2 H 30 3.210 3.853 -0.643 1
1 345 . 4 1 1 A 30 30 GLY HA3 H 30 4.800 4.174 0.626 1
1 346 . 4 1 1 A 30 30 GLY CA C 30 47.500 45.677 1.823 1
1 347 . 4 1 1 A 30 30 GLY N N 30 111.700 108.931 2.769 1
1 348 . 4 1 1 A 31 31 ARG H H 31 8.900 8.478 0.422 1
1 349 . 4 1 1 A 31 31 ARG HA H 31 5.170 5.109 0.061 1
1 356 . 4 1 1 A 31 31 ARG CA C 31 54.200 55.029 -0.829 1
1 357 . 4 1 1 A 31 31 ARG CB C 31 34.200 33.110 1.090 1
1 360 . 4 1 1 A 31 31 ARG N N 31 123.000 123.256 -0.256 1
1 361 . 4 1 1 A 32 32 ARG H H 32 9.070 9.199 -0.129 1
1 362 . 4 1 1 A 32 32 ARG HA H 32 5.140 5.096 0.044 1
1 369 . 4 1 1 A 32 32 ARG CA C 32 54.700 54.377 0.323 1
1 370 . 4 1 1 A 32 32 ARG CB C 32 33.700 33.706 -0.006 1
1 373 . 4 1 1 A 32 32 ARG N N 32 121.500 121.609 -0.109 1
1 374 . 4 1 1 A 33 33 ASP H H 33 8.640 9.058 -0.418 1
1 375 . 4 1 1 A 33 33 ASP HA H 33 4.850 4.928 -0.078 1
1 378 . 4 1 1 A 33 33 ASP CA C 33 53.400 52.230 1.170 1
1 379 . 4 1 1 A 33 33 ASP CB C 33 42.100 43.344 -1.244 1
1 380 . 4 1 1 A 33 33 ASP N N 33 124.200 121.947 2.253 1
1 381 . 4 1 1 A 34 34 GLY H H 34 9.020 8.806 0.214 1
1 382 . 4 1 1 A 34 34 GLY HA2 H 34 3.670 3.826 -0.156 1
1 383 . 4 1 1 A 34 34 GLY HA3 H 34 4.000 3.833 0.167 1
1 384 . 4 1 1 A 34 34 GLY CA C 34 47.200 46.619 0.581 1
1 385 . 4 1 1 A 34 34 GLY N N 34 115.900 110.259 5.641 1
1 386 . 4 1 1 A 35 35 ASP H H 35 9.070 8.183 0.887 1
1 387 . 4 1 1 A 35 35 ASP HA H 35 4.650 4.866 -0.216 1
1 390 . 4 1 1 A 35 35 ASP CA C 35 54.800 54.995 -0.195 1
1 391 . 4 1 1 A 35 35 ASP CB C 35 41.000 43.365 -2.365 1
1 392 . 4 1 1 A 35 35 ASP N N 35 127.300 121.441 5.859 1
1 393 . 4 1 1 A 36 36 ASP H H 36 8.070 7.637 0.433 1
1 394 . 4 1 1 A 36 36 ASP HA H 36 4.950 5.462 -0.512 1
1 397 . 4 1 1 A 36 36 ASP CA C 36 53.700 52.686 1.014 1
1 398 . 4 1 1 A 36 36 ASP CB C 36 41.700 43.519 -1.819 1
1 399 . 4 1 1 A 36 36 ASP N N 36 120.600 117.544 3.056 1
1 400 . 4 1 1 A 37 37 ARG H H 37 8.070 8.368 -0.298 1
1 401 . 4 1 1 A 37 37 ARG HA H 37 4.850 4.885 -0.035 1
1 408 . 4 1 1 A 37 37 ARG CA C 37 55.400 54.283 1.117 1
1 409 . 4 1 1 A 37 37 ARG CB C 37 32.900 33.548 -0.648 1
1 412 . 4 1 1 A 37 37 ARG N N 37 120.800 119.679 1.121 1
1 413 . 4 1 1 A 38 38 TRP H H 38 9.380 9.413 -0.033 1
1 414 . 4 1 1 A 38 38 TRP HA H 38 4.840 5.244 -0.404 1
1 423 . 4 1 1 A 38 38 TRP CA C 38 57.000 55.464 1.536 1
1 424 . 4 1 1 A 38 38 TRP CB C 38 30.100 31.405 -1.305 1
1 430 . 4 1 1 A 38 38 TRP N N 38 124.900 122.819 2.081 1
1 432 . 4 1 1 A 39 39 VAL H H 39 8.450 8.873 -0.423 1
1 433 . 4 1 1 A 39 39 VAL HA H 39 3.390 4.043 -0.653 1
1 441 . 4 1 1 A 39 39 VAL CA C 39 64.500 62.722 1.778 1
1 442 . 4 1 1 A 39 39 VAL CB C 39 31.500 31.561 -0.061 1
1 445 . 4 1 1 A 39 39 VAL N N 39 124.400 125.255 -0.855 1
1 446 . 4 1 1 A 40 40 GLU H H 40 9.080 8.941 0.139 1
1 447 . 4 1 1 A 40 40 GLU HA H 40 4.350 4.321 0.029 1
1 452 . 4 1 1 A 40 40 GLU CA C 40 54.900 56.686 -1.786 1
1 453 . 4 1 1 A 40 40 GLU CB C 40 29.500 30.555 -1.055 1
1 455 . 4 1 1 A 40 40 GLU N N 40 124.200 124.071 0.129 1
1 456 . 4 1 1 A 41 41 ARG H H 41 7.610 7.277 0.333 1
1 457 . 4 1 1 A 41 41 ARG HA H 41 4.070 4.653 -0.583 1
1 464 . 4 1 1 A 41 41 ARG CA C 41 56.800 55.360 1.440 1
1 465 . 4 1 1 A 41 41 ARG CB C 41 33.600 33.329 0.271 1
1 468 . 4 1 1 A 41 41 ARG N N 41 120.000 119.546 0.454 1
1 469 . 4 1 1 A 42 42 VAL H H 42 8.460 8.501 -0.041 1
1 470 . 4 1 1 A 42 42 VAL HA H 42 4.300 4.555 -0.255 1
1 478 . 4 1 1 A 42 42 VAL CA C 42 60.900 61.815 -0.915 1
1 479 . 4 1 1 A 42 42 VAL CB C 42 32.900 32.067 0.833 1
1 482 . 4 1 1 A 42 42 VAL N N 42 125.600 126.854 -1.254 1
1 483 . 4 1 1 A 43 43 TYR H H 43 9.070 8.912 0.158 1
1 484 . 4 1 1 A 43 43 TYR HA H 43 4.930 5.065 -0.135 1
1 491 . 4 1 1 A 43 43 TYR CA C 43 54.600 55.350 -0.750 1
1 492 . 4 1 1 A 43 43 TYR CB C 43 38.500 39.106 -0.606 1
1 495 . 4 1 1 A 43 43 TYR N N 43 124.800 126.946 -2.146 1
1 496 . 4 1 1 A 44 44 PRO HA H 44 4.260 4.126 0.134 1
1 503 . 4 1 1 A 44 44 PRO CA C 44 63.200 62.448 0.752 1
1 504 . 4 1 1 A 44 44 PRO CB C 44 30.100 31.373 -1.273 1
1 507 . 4 1 1 A 45 45 LEU H H 45 8.270 8.107 0.163 1
1 508 . 4 1 1 A 45 45 LEU HA H 45 4.930 4.714 0.216 1
1 518 . 4 1 1 A 45 45 LEU CA C 45 53.800 53.972 -0.172 1
1 519 . 4 1 1 A 45 45 LEU CB C 45 45.600 42.688 2.912 1
1 523 . 4 1 1 A 45 45 LEU N N 45 125.800 122.721 3.079 1
1 524 . 4 1 1 A 46 46 ASN H H 46 9.120 8.597 0.523 1
1 525 . 4 1 1 A 46 46 ASN HA H 46 4.630 5.009 -0.379 1
1 530 . 4 1 1 A 46 46 ASN CA C 46 56.000 50.933 5.067 1
1 531 . 4 1 1 A 46 46 ASN CB C 46 39.000 40.675 -1.675 1
1 532 . 4 1 1 A 46 46 ASN N N 46 119.000 118.718 0.282 1
1 534 . 4 1 1 A 47 47 ASN H H 47 8.460 8.676 -0.216 1
1 535 . 4 1 1 A 47 47 ASN HA H 47 5.260 5.171 0.089 1
1 540 . 4 1 1 A 47 47 ASN CA C 47 51.200 52.435 -1.235 1
1 541 . 4 1 1 A 47 47 ASN CB C 47 37.700 39.309 -1.609 1
1 542 . 4 1 1 A 47 47 ASN N N 47 118.500 119.011 -0.511 1
1 544 . 4 1 1 A 48 48 LEU H H 48 8.890 8.807 0.083 1
1 545 . 4 1 1 A 48 48 LEU HA H 48 4.070 4.219 -0.149 1
1 555 . 4 1 1 A 48 48 LEU CA C 48 56.800 57.410 -0.610 1
1 556 . 4 1 1 A 48 48 LEU CB C 48 41.600 42.407 -0.807 1
1 560 . 4 1 1 A 48 48 LEU N N 48 127.100 126.596 0.504 1
1 561 . 4 1 1 A 49 49 ASP H H 49 7.820 7.909 -0.089 1
1 562 . 4 1 1 A 49 49 ASP HA H 49 4.430 4.900 -0.470 1
1 565 . 4 1 1 A 49 49 ASP CA C 49 54.500 53.361 1.139 1
1 566 . 4 1 1 A 49 49 ASP CB C 49 40.100 39.788 0.312 1
1 567 . 4 1 1 A 49 49 ASP N N 49 115.700 117.649 -1.949 1
1 568 . 4 1 1 A 50 50 GLN H H 50 7.770 8.702 -0.932 1
1 569 . 4 1 1 A 50 50 GLN HA H 50 3.880 4.680 -0.800 1
1 576 . 4 1 1 A 50 50 GLN CA C 50 56.000 59.393 -3.393 1
1 577 . 4 1 1 A 50 50 GLN CB C 50 27.400 28.589 -1.189 1
1 579 . 4 1 1 A 50 50 GLN N N 50 115.300 125.805 -10.505 1
1 581 . 4 1 1 A 51 51 SER H H 51 6.370 7.877 -1.507 1
1 582 . 4 1 1 A 51 51 SER HA H 51 5.210 4.460 0.750 1
1 585 . 4 1 1 A 51 51 SER CA C 51 53.700 60.254 -6.554 1
1 586 . 4 1 1 A 51 51 SER CB C 51 66.100 62.026 4.074 1
1 587 . 4 1 1 A 51 51 SER N N 51 109.000 112.360 -3.360 1
1 588 . 4 1 1 A 52 52 PRO HA H 52 4.830 4.462 0.368 1
1 595 . 4 1 1 A 52 52 PRO CA C 52 64.000 64.760 -0.760 1
1 596 . 4 1 1 A 52 52 PRO CB C 52 33.300 31.968 1.332 1
1 599 . 4 1 1 A 53 53 GLU H H 53 8.320 8.218 0.102 1
1 600 . 4 1 1 A 53 53 GLU HA H 53 4.510 4.473 0.037 1
1 605 . 4 1 1 A 53 53 GLU CA C 53 55.700 56.290 -0.590 1
1 606 . 4 1 1 A 53 53 GLU CB C 53 32.400 31.182 1.218 1
1 608 . 4 1 1 A 53 53 GLU N N 53 113.900 115.129 -1.229 1
1 609 . 4 1 1 A 54 54 HIS H H 54 7.070 7.633 -0.563 1
1 610 . 4 1 1 A 54 54 HIS HA H 54 4.750 5.208 -0.458 1
1 614 . 4 1 1 A 54 54 HIS CA C 54 54.100 54.329 -0.229 1
1 615 . 4 1 1 A 54 54 HIS CB C 54 31.100 34.300 -3.200 1
1 617 . 4 1 1 A 54 54 HIS N N 54 112.500 118.031 -5.531 1
1 618 . 4 1 1 A 55 55 PHE H H 55 7.900 8.473 -0.573 1
1 619 . 4 1 1 A 55 55 PHE HA H 55 5.580 5.326 0.254 1
1 627 . 4 1 1 A 55 55 PHE CA C 55 55.400 55.721 -0.321 1
1 628 . 4 1 1 A 55 55 PHE CB C 55 41.200 41.521 -0.321 1
1 632 . 4 1 1 A 55 55 PHE N N 55 114.900 117.593 -2.693 1
1 633 . 4 1 1 A 56 56 SER H H 56 7.690 9.189 -1.499 1
1 634 . 4 1 1 A 56 56 SER HA H 56 4.300 5.107 -0.807 1
1 637 . 4 1 1 A 56 56 SER CA C 56 57.800 56.443 1.357 1
1 638 . 4 1 1 A 56 56 SER CB C 56 65.300 65.983 -0.683 1
1 639 . 4 1 1 A 56 56 SER N N 56 112.900 114.711 -1.811 1
1 640 . 4 1 1 A 57 57 MET H H 57 8.750 8.636 0.114 1
1 641 . 4 1 1 A 57 57 MET HA H 57 4.860 4.813 0.047 1
1 649 . 4 1 1 A 57 57 MET CA C 57 54.400 54.649 -0.249 1
1 650 . 4 1 1 A 57 57 MET CB C 57 36.000 33.866 2.134 1
1 653 . 4 1 1 A 57 57 MET N N 57 120.000 121.580 -1.580 1
1 654 . 4 1 1 A 58 58 ASP H H 58 10.180 7.701 2.479 1
1 655 . 4 1 1 A 58 58 ASP HA H 58 4.740 4.368 0.372 1
1 658 . 4 1 1 A 58 58 ASP CA C 58 51.700 54.791 -3.091 1
1 659 . 4 1 1 A 58 58 ASP CB C 58 42.700 39.326 3.374 1
1 660 . 4 1 1 A 58 58 ASP N N 58 126.600 116.739 9.861 1
1 661 . 4 1 1 A 59 59 PRO HA H 59 4.400 4.226 0.174 1
1 668 . 4 1 1 A 59 59 PRO CA C 59 65.300 65.351 -0.051 1
1 669 . 4 1 1 A 59 59 PRO CB C 59 32.300 31.988 0.312 1
1 672 . 4 1 1 A 60 60 ARG H H 60 8.520 8.461 0.059 1
1 673 . 4 1 1 A 60 60 ARG HA H 60 4.120 4.035 0.085 1
1 680 . 4 1 1 A 60 60 ARG CA C 60 59.200 59.480 -0.280 1
1 681 . 4 1 1 A 60 60 ARG CB C 60 29.500 29.952 -0.452 1
1 684 . 4 1 1 A 60 60 ARG N N 60 118.700 119.037 -0.337 1
1 685 . 4 1 1 A 61 61 GLU H H 61 7.730 8.367 -0.637 1
1 686 . 4 1 1 A 61 61 GLU HA H 61 4.190 4.186 0.004 1
1 691 . 4 1 1 A 61 61 GLU CA C 61 59.000 59.060 -0.060 1
1 692 . 4 1 1 A 61 61 GLU CB C 61 30.200 29.315 0.885 1
1 694 . 4 1 1 A 61 61 GLU N N 61 119.800 119.969 -0.169 1
1 695 . 4 1 1 A 62 62 GLN H H 62 8.220 8.459 -0.239 1
1 696 . 4 1 1 A 62 62 GLN HA H 62 3.830 3.993 -0.163 1
1 703 . 4 1 1 A 62 62 GLN CA C 62 59.900 58.713 1.187 1
1 704 . 4 1 1 A 62 62 GLN CB C 62 29.000 28.234 0.766 1
1 706 . 4 1 1 A 62 62 GLN N N 62 118.700 119.986 -1.286 1
1 708 . 4 1 1 A 63 63 LEU H H 63 7.950 7.771 0.179 1
1 709 . 4 1 1 A 63 63 LEU HA H 63 4.110 4.063 0.047 1
1 719 . 4 1 1 A 63 63 LEU CA C 63 58.000 57.652 0.348 1
1 720 . 4 1 1 A 63 63 LEU CB C 63 41.400 41.333 0.067 1
1 724 . 4 1 1 A 63 63 LEU N N 63 119.200 121.036 -1.836 1
1 725 . 4 1 1 A 64 64 THR H H 64 7.910 7.792 0.118 1
1 726 . 4 1 1 A 64 64 THR HA H 64 3.790 3.857 -0.067 1
1 731 . 4 1 1 A 64 64 THR CA C 64 66.800 66.438 0.362 1
1 732 . 4 1 1 A 64 64 THR CB C 64 68.700 68.607 0.093 1
1 734 . 4 1 1 A 64 64 THR N N 64 116.000 114.877 1.123 1
1 735 . 4 1 1 A 65 65 ALA H H 65 7.520 7.882 -0.362 1
1 736 . 4 1 1 A 65 65 ALA HA H 65 3.970 4.071 -0.101 1
1 740 . 4 1 1 A 65 65 ALA CA C 65 55.100 55.068 0.032 1
1 741 . 4 1 1 A 65 65 ALA CB C 65 17.900 18.241 -0.341 1
1 742 . 4 1 1 A 65 65 ALA N N 65 125.200 123.887 1.313 1
1 743 . 4 1 1 A 66 66 VAL H H 66 8.420 7.918 0.502 1
1 744 . 4 1 1 A 66 66 VAL HA H 66 3.840 3.353 0.487 1
1 752 . 4 1 1 A 66 66 VAL CA C 66 66.200 67.046 -0.846 1
1 753 . 4 1 1 A 66 66 VAL CB C 66 31.700 31.334 0.366 1
1 756 . 4 1 1 A 66 66 VAL N N 66 119.300 118.800 0.500 1
1 757 . 4 1 1 A 67 67 LYS H H 67 8.570 7.664 0.906 1
1 758 . 4 1 1 A 67 67 LYS HA H 67 3.960 3.956 0.004 1
1 767 . 4 1 1 A 67 67 LYS CA C 67 60.300 59.501 0.799 1
1 768 . 4 1 1 A 67 67 LYS CB C 67 32.200 32.379 -0.179 1
1 772 . 4 1 1 A 67 67 LYS N N 67 120.600 119.943 0.657 1
1 773 . 4 1 1 A 68 68 ASP H H 68 7.660 7.673 -0.013 1
1 774 . 4 1 1 A 68 68 ASP HA H 68 4.290 4.417 -0.127 1
1 777 . 4 1 1 A 68 68 ASP CA C 68 58.300 57.636 0.664 1
1 778 . 4 1 1 A 68 68 ASP CB C 68 42.700 40.975 1.725 1
1 779 . 4 1 1 A 68 68 ASP N N 68 121.500 119.268 2.232 1
1 780 . 4 1 1 A 69 69 MET H H 69 8.620 8.005 0.615 1
1 781 . 4 1 1 A 69 69 MET HA H 69 4.250 4.209 0.041 1
1 789 . 4 1 1 A 69 69 MET CA C 69 60.300 58.777 1.523 1
1 790 . 4 1 1 A 69 69 MET CB C 69 32.700 32.535 0.165 1
1 793 . 4 1 1 A 69 69 MET N N 69 120.100 118.280 1.820 1
1 794 . 4 1 1 A 70 70 ARG H H 70 8.500 8.003 0.497 1
1 795 . 4 1 1 A 70 70 ARG HA H 70 4.110 4.281 -0.171 1
1 802 . 4 1 1 A 70 70 ARG CA C 70 59.200 58.316 0.884 1
1 803 . 4 1 1 A 70 70 ARG CB C 70 29.600 29.538 0.062 1
1 806 . 4 1 1 A 70 70 ARG N N 70 119.000 117.771 1.229 1
1 807 . 4 1 1 A 71 71 LYS H H 71 8.020 7.386 0.634 1
1 808 . 4 1 1 A 71 71 LYS HA H 71 3.970 4.085 -0.115 1
1 817 . 4 1 1 A 71 71 LYS CA C 71 58.800 59.089 -0.289 1
1 818 . 4 1 1 A 71 71 LYS CB C 71 32.000 31.906 0.094 1
1 822 . 4 1 1 A 71 71 LYS N N 71 121.100 119.979 1.121 1
1 823 . 4 1 1 A 72 72 ASN H H 72 6.960 7.971 -1.011 1
1 824 . 4 1 1 A 72 72 ASN HA H 72 4.090 4.711 -0.621 1
1 829 . 4 1 1 A 72 72 ASN CA C 72 53.300 53.118 0.182 1
1 830 . 4 1 1 A 72 72 ASN CB C 72 39.000 39.191 -0.191 1
1 831 . 4 1 1 A 72 72 ASN N N 72 114.600 114.182 0.418 1
1 833 . 4 1 1 A 73 73 GLY H H 73 7.560 8.272 -0.712 1
1 834 . 4 1 1 A 73 73 GLY HA2 H 73 3.890 3.632 0.258 1
1 835 . 4 1 1 A 73 73 GLY HA3 H 73 3.760 3.806 -0.046 1
1 836 . 4 1 1 A 73 73 GLY CA C 73 45.900 45.357 0.543 1
1 837 . 4 1 1 A 73 73 GLY N N 73 106.700 106.345 0.355 1
1 838 . 4 1 1 A 74 74 TRP H H 74 8.240 8.170 0.070 1
1 839 . 4 1 1 A 74 74 TRP HA H 74 5.260 5.217 0.043 1
1 848 . 4 1 1 A 74 74 TRP CA C 74 53.100 55.730 -2.630 1
1 849 . 4 1 1 A 74 74 TRP CB C 74 31.400 34.032 -2.632 1
1 855 . 4 1 1 A 74 74 TRP N N 74 120.700 119.668 1.032 1
1 857 . 4 1 1 A 75 75 VAL H H 75 9.410 9.238 0.172 1
1 858 . 4 1 1 A 75 75 VAL HA H 75 4.800 4.875 -0.075 1
1 866 . 4 1 1 A 75 75 VAL CA C 75 58.500 59.055 -0.555 1
1 867 . 4 1 1 A 75 75 VAL CB C 75 35.500 35.606 -0.106 1
1 870 . 4 1 1 A 75 75 VAL N N 75 112.100 116.532 -4.432 1
1 871 . 4 1 1 A 76 76 MET H H 76 8.800 8.720 0.080 1
1 872 . 4 1 1 A 76 76 MET HA H 76 4.650 4.756 -0.106 1
1 880 . 4 1 1 A 76 76 MET CA C 76 56.900 55.285 1.615 1
1 881 . 4 1 1 A 76 76 MET CB C 76 32.600 33.448 -0.848 1
1 884 . 4 1 1 A 76 76 MET N N 76 122.400 122.768 -0.368 1
1 885 . 4 1 1 A 77 77 LEU H H 77 8.780 9.646 -0.866 1
1 886 . 4 1 1 A 77 77 LEU HA H 77 4.480 4.565 -0.085 1
1 896 . 4 1 1 A 77 77 LEU CA C 77 54.100 55.517 -1.417 1
1 897 . 4 1 1 A 77 77 LEU CB C 77 44.700 43.266 1.434 1
1 901 . 4 1 1 A 77 77 LEU N N 77 125.600 127.251 -1.651 1
1 902 . 4 1 1 A 78 78 GLY H H 78 7.590 7.446 0.144 1
1 903 . 4 1 1 A 78 78 GLY HA2 H 78 5.150 4.008 1.142 1
1 904 . 4 1 1 A 78 78 GLY HA3 H 78 3.660 4.010 -0.350 1
1 905 . 4 1 1 A 78 78 GLY CA C 78 45.700 45.410 0.290 1
1 906 . 4 1 1 A 78 78 GLY N N 78 102.900 105.141 -2.241 1
1 907 . 4 1 1 A 79 79 ASN H H 79 8.520 8.595 -0.075 1
1 908 . 4 1 1 A 79 79 ASN HA H 79 5.230 5.576 -0.346 1
1 913 . 4 1 1 A 79 79 ASN CA C 79 51.100 51.470 -0.370 1
1 914 . 4 1 1 A 79 79 ASN CB C 79 41.500 42.870 -1.370 1
1 915 . 4 1 1 A 79 79 ASN N N 79 115.600 117.826 -2.226 1
1 917 . 4 1 1 A 80 80 PHE H H 80 8.410 8.780 -0.370 1
1 918 . 4 1 1 A 80 80 PHE HA H 80 6.120 5.901 0.219 1
1 926 . 4 1 1 A 80 80 PHE CA C 80 54.500 55.533 -1.033 1
1 927 . 4 1 1 A 80 80 PHE CB C 80 44.800 42.998 1.802 1
1 931 . 4 1 1 A 80 80 PHE N N 80 113.100 116.393 -3.293 1
1 932 . 4 1 1 A 81 81 HIS H H 81 8.310 9.067 -0.757 1
1 933 . 4 1 1 A 81 81 HIS HA H 81 5.300 5.648 -0.348 1
1 938 . 4 1 1 A 81 81 HIS CA C 81 54.400 54.010 0.390 1
1 939 . 4 1 1 A 81 81 HIS CB C 81 30.300 32.679 -2.379 1
1 942 . 4 1 1 A 81 81 HIS N N 81 111.600 116.322 -4.722 1
1 943 . 4 1 1 A 82 82 SER H H 82 8.390 9.122 -0.732 1
1 944 . 4 1 1 A 82 82 SER HA H 82 5.510 5.707 -0.197 1
1 947 . 4 1 1 A 82 82 SER CA C 82 54.800 57.709 -2.909 1
1 948 . 4 1 1 A 82 82 SER CB C 82 66.700 65.572 1.128 1
1 949 . 4 1 1 A 82 82 SER N N 82 112.700 117.397 -4.697 1
1 950 . 4 1 1 A 83 83 HIS H H 83 8.890 9.285 -0.395 1
1 951 . 4 1 1 A 83 83 HIS HA H 83 5.480 4.973 0.507 1
1 956 . 4 1 1 A 83 83 HIS CA C 83 49.900 53.977 -4.077 1
1 957 . 4 1 1 A 83 83 HIS CB C 83 32.000 31.741 0.259 1
1 960 . 4 1 1 A 83 83 HIS N N 83 115.200 122.500 -7.300 1
1 961 . 4 1 1 A 84 84 PRO HA H 84 3.940 4.334 -0.394 1
1 968 . 4 1 1 A 84 84 PRO CA C 84 65.600 65.092 0.508 1
1 969 . 4 1 1 A 84 84 PRO CB C 84 33.300 31.775 1.525 1
1 972 . 4 1 1 A 85 85 ALA H H 85 8.410 7.599 0.811 1
1 973 . 4 1 1 A 85 85 ALA HA H 85 4.670 4.573 0.097 1
1 977 . 4 1 1 A 85 85 ALA CA C 85 51.300 51.567 -0.267 1
1 978 . 4 1 1 A 85 85 ALA CB C 85 21.200 18.881 2.319 1
1 979 . 4 1 1 A 85 85 ALA N N 85 112.800 118.784 -5.984 1
1 980 . 4 1 1 A 86 86 THR H H 86 7.070 8.422 -1.352 1
1 981 . 4 1 1 A 86 86 THR HA H 86 4.960 5.194 -0.234 1
1 986 . 4 1 1 A 86 86 THR CA C 86 58.600 58.592 0.008 1
1 987 . 4 1 1 A 86 86 THR CB C 86 69.500 70.799 -1.299 1
1 989 . 4 1 1 A 86 86 THR N N 86 109.200 111.402 -2.202 1
1 990 . 4 1 1 A 87 87 PRO HA H 87 4.630 4.545 0.085 1
1 997 . 4 1 1 A 87 87 PRO CA C 87 62.700 62.658 0.042 1
1 998 . 4 1 1 A 87 87 PRO CB C 87 33.500 32.268 1.232 1
1 1001 . 4 1 1 A 88 88 ALA H H 88 9.760 8.378 1.382 1
1 1002 . 4 1 1 A 88 88 ALA HA H 88 3.960 4.384 -0.424 1
1 1006 . 4 1 1 A 88 88 ALA CA C 88 51.700 51.675 0.025 1
1 1007 . 4 1 1 A 88 88 ALA CB C 88 16.300 17.431 -1.131 1
1 1008 . 4 1 1 A 88 88 ALA N N 88 127.600 123.972 3.628 1
1 1009 . 4 1 1 A 89 89 ARG H H 89 7.570 8.073 -0.503 1
1 1010 . 4 1 1 A 89 89 ARG HA H 89 4.280 4.412 -0.132 1
1 1017 . 4 1 1 A 89 89 ARG CA C 89 53.200 52.492 0.708 1
1 1018 . 4 1 1 A 89 89 ARG CB C 89 31.300 32.119 -0.819 1
1 1021 . 4 1 1 A 89 89 ARG N N 89 118.300 119.693 -1.393 1
1 1022 . 4 1 1 A 90 90 PRO HA H 90 4.510 4.432 0.078 1
1 1029 . 4 1 1 A 90 90 PRO CA C 90 62.900 62.628 0.272 1
1 1030 . 4 1 1 A 90 90 PRO CB C 90 31.300 31.924 -0.624 1
1 1033 . 4 1 1 A 91 91 SER H H 91 9.630 8.885 0.745 1
1 1034 . 4 1 1 A 91 91 SER HA H 91 4.600 4.755 -0.155 1
1 1037 . 4 1 1 A 91 91 SER CA C 91 56.500 56.689 -0.189 1
1 1038 . 4 1 1 A 91 91 SER CB C 91 66.000 65.528 0.472 1
1 1039 . 4 1 1 A 91 91 SER N N 91 122.500 116.704 5.796 1
1 1040 . 4 1 1 A 92 92 ALA H H 92 8.910 8.913 -0.003 1
1 1041 . 4 1 1 A 92 92 ALA HA H 92 3.980 3.948 0.032 1
1 1045 . 4 1 1 A 92 92 ALA CA C 92 55.900 55.263 0.637 1
1 1046 . 4 1 1 A 92 92 ALA CB C 92 17.800 18.072 -0.272 1
1 1047 . 4 1 1 A 92 92 ALA N N 92 123.000 123.842 -0.842 1
1 1048 . 4 1 1 A 93 93 GLU H H 93 8.370 8.024 0.346 1
1 1049 . 4 1 1 A 93 93 GLU HA H 93 4.070 3.803 0.267 1
1 1054 . 4 1 1 A 93 93 GLU CA C 93 58.900 59.483 -0.583 1
1 1055 . 4 1 1 A 93 93 GLU CB C 93 28.800 29.225 -0.425 1
1 1057 . 4 1 1 A 93 93 GLU N N 93 118.800 117.772 1.028 1
1 1058 . 4 1 1 A 94 94 ASP H H 94 7.770 8.100 -0.330 1
1 1059 . 4 1 1 A 94 94 ASP HA H 94 4.260 4.302 -0.042 1
1 1062 . 4 1 1 A 94 94 ASP CA C 94 57.100 56.800 0.300 1
1 1063 . 4 1 1 A 94 94 ASP CB C 94 40.200 40.005 0.195 1
1 1064 . 4 1 1 A 94 94 ASP N N 94 119.200 119.926 -0.726 1
1 1065 . 4 1 1 A 95 95 LYS H H 95 7.830 7.620 0.210 1
1 1066 . 4 1 1 A 95 95 LYS HA H 95 3.720 3.751 -0.031 1
1 1075 . 4 1 1 A 95 95 LYS CA C 95 59.500 58.944 0.556 1
1 1076 . 4 1 1 A 95 95 LYS CB C 95 31.900 31.819 0.081 1
1 1080 . 4 1 1 A 95 95 LYS N N 95 116.400 120.942 -4.542 1
1 1081 . 4 1 1 A 96 96 ARG H H 96 7.570 7.623 -0.053 1
1 1082 . 4 1 1 A 96 96 ARG HA H 96 3.940 3.933 0.007 1
1 1089 . 4 1 1 A 96 96 ARG CA C 96 58.500 58.536 -0.036 1
1 1090 . 4 1 1 A 96 96 ARG CB C 96 30.100 29.697 0.403 1
1 1093 . 4 1 1 A 96 96 ARG N N 96 119.400 118.896 0.504 1
1 1094 . 4 1 1 A 97 97 LEU H H 97 7.270 7.332 -0.062 1
1 1095 . 4 1 1 A 97 97 LEU HA H 97 4.030 3.756 0.274 1
1 1105 . 4 1 1 A 97 97 LEU CA C 97 54.400 55.103 -0.703 1
1 1106 . 4 1 1 A 97 97 LEU CB C 97 41.600 41.332 0.268 1
1 1110 . 4 1 1 A 97 97 LEU N N 97 116.100 117.561 -1.461 1
1 1111 . 4 1 1 A 98 98 ALA H H 98 6.950 7.173 -0.223 1
1 1112 . 4 1 1 A 98 98 ALA HA H 98 4.230 4.466 -0.236 1
1 1116 . 4 1 1 A 98 98 ALA CA C 98 50.800 50.993 -0.193 1
1 1117 . 4 1 1 A 98 98 ALA CB C 98 16.700 18.308 -1.608 1
1 1118 . 4 1 1 A 98 98 ALA N N 98 124.800 122.804 1.996 1
1 1119 . 4 1 1 A 99 99 PHE H H 99 7.630 8.432 -0.802 1
1 1120 . 4 1 1 A 99 99 PHE HA H 99 4.490 4.583 -0.093 1
1 1128 . 4 1 1 A 99 99 PHE CA C 99 58.200 59.044 -0.844 1
1 1129 . 4 1 1 A 99 99 PHE CB C 99 39.500 39.882 -0.382 1
1 1133 . 4 1 1 A 99 99 PHE N N 99 120.400 123.215 -2.815 1
1 1134 . 4 1 1 A 100 100 ASP H H 100 7.320 7.476 -0.156 1
1 1135 . 4 1 1 A 100 100 ASP HA H 100 5.240 5.335 -0.095 1
1 1138 . 4 1 1 A 100 100 ASP CA C 100 49.900 51.455 -1.555 1
1 1139 . 4 1 1 A 100 100 ASP CB C 100 42.200 43.562 -1.362 1
1 1140 . 4 1 1 A 100 100 ASP N N 100 118.200 116.165 2.035 1
1 1141 . 4 1 1 A 101 101 PRO HA H 101 5.040 4.629 0.411 1
1 1148 . 4 1 1 A 101 101 PRO CA C 101 64.200 64.058 0.142 1
1 1149 . 4 1 1 A 101 101 PRO CB C 101 32.800 32.812 -0.012 1
1 1152 . 4 1 1 A 102 102 SER H H 102 8.950 8.205 0.745 1
1 1153 . 4 1 1 A 102 102 SER HA H 102 4.530 4.474 0.056 1
1 1156 . 4 1 1 A 102 102 SER CA C 102 59.300 60.584 -1.284 1
1 1157 . 4 1 1 A 102 102 SER CB C 102 64.500 64.283 0.217 1
1 1158 . 4 1 1 A 102 102 SER N N 102 117.700 113.162 4.538 1
1 1159 . 4 1 1 A 103 103 LEU H H 103 6.850 7.737 -0.887 1
1 1160 . 4 1 1 A 103 103 LEU HA H 103 4.200 4.140 0.060 1
1 1170 . 4 1 1 A 103 103 LEU CA C 103 53.700 55.040 -1.340 1
1 1171 . 4 1 1 A 103 103 LEU CB C 103 41.800 42.428 -0.628 1
1 1175 . 4 1 1 A 103 103 LEU N N 103 121.100 122.190 -1.090 1
1 1176 . 4 1 1 A 104 104 SER H H 104 8.080 8.375 -0.295 1
1 1177 . 4 1 1 A 104 104 SER HA H 104 4.310 5.033 -0.723 1
1 1180 . 4 1 1 A 104 104 SER CA C 104 60.300 56.986 3.314 1
1 1181 . 4 1 1 A 104 104 SER CB C 104 63.300 64.087 -0.787 1
1 1182 . 4 1 1 A 104 104 SER N N 104 116.100 117.307 -1.207 1
1 1183 . 4 1 1 A 105 105 TYR H H 105 8.790 9.222 -0.432 1
1 1184 . 4 1 1 A 105 105 TYR HA H 105 4.750 5.264 -0.514 1
1 1191 . 4 1 1 A 105 105 TYR CA C 105 57.100 56.822 0.278 1
1 1192 . 4 1 1 A 105 105 TYR CB C 105 37.700 39.375 -1.675 1
1 1195 . 4 1 1 A 105 105 TYR N N 105 122.700 126.502 -3.802 1
1 1196 . 4 1 1 A 106 106 LEU H H 106 8.750 9.346 -0.596 1
1 1197 . 4 1 1 A 106 106 LEU HA H 106 5.290 5.186 0.104 1
1 1207 . 4 1 1 A 106 106 LEU CA C 106 56.000 53.873 2.127 1
1 1208 . 4 1 1 A 106 106 LEU CB C 106 43.400 43.515 -0.115 1
1 1212 . 4 1 1 A 106 106 LEU N N 106 125.200 125.545 -0.345 1
1 1213 . 4 1 1 A 107 107 ILE H H 107 9.480 9.468 0.012 1
1 1214 . 4 1 1 A 107 107 ILE HA H 107 4.630 4.734 -0.104 1
1 1224 . 4 1 1 A 107 107 ILE CA C 107 59.700 59.949 -0.249 1
1 1225 . 4 1 1 A 107 107 ILE CB C 107 40.500 40.115 0.385 1
1 1229 . 4 1 1 A 107 107 ILE N N 107 123.800 123.363 0.437 1
1 1230 . 4 1 1 A 108 108 ILE H H 108 7.820 9.695 -1.875 1
1 1231 . 4 1 1 A 108 108 ILE HA H 108 4.950 4.958 -0.008 1
1 1241 . 4 1 1 A 108 108 ILE CA C 108 58.600 60.021 -1.421 1
1 1242 . 4 1 1 A 108 108 ILE CB C 108 41.700 39.024 2.676 1
1 1246 . 4 1 1 A 108 108 ILE N N 108 125.200 129.763 -4.563 1
1 1247 . 4 1 1 A 109 109 SER H H 109 9.780 9.598 0.182 1
1 1248 . 4 1 1 A 109 109 SER HA H 109 5.430 5.149 0.281 1
1 1251 . 4 1 1 A 109 109 SER CA C 109 56.400 57.905 -1.505 1
1 1252 . 4 1 1 A 109 109 SER CB C 109 64.900 64.204 0.696 1
1 1253 . 4 1 1 A 109 109 SER N N 109 120.300 125.879 -5.579 1
1 1254 . 4 1 1 A 110 110 LEU H H 110 8.110 8.607 -0.497 1
1 1255 . 4 1 1 A 110 110 LEU HA H 110 4.630 4.598 0.032 1
1 1265 . 4 1 1 A 110 110 LEU CA C 110 53.300 54.437 -1.137 1
1 1266 . 4 1 1 A 110 110 LEU CB C 110 41.100 41.223 -0.123 1
1 1270 . 4 1 1 A 110 110 LEU N N 110 130.700 127.569 3.131 1
1 1271 . 4 1 1 A 111 111 ALA H H 111 7.390 8.194 -0.804 1
1 1272 . 4 1 1 A 111 111 ALA HA H 111 3.920 4.161 -0.241 1
1 1276 . 4 1 1 A 111 111 ALA CA C 111 55.200 54.438 0.762 1
1 1277 . 4 1 1 A 111 111 ALA CB C 111 17.900 18.717 -0.817 1
1 1278 . 4 1 1 A 111 111 ALA N N 111 121.000 123.181 -2.181 1
1 1279 . 4 1 1 A 112 112 GLU H H 112 8.290 7.856 0.434 1
1 1280 . 4 1 1 A 112 112 GLU HA H 112 4.830 4.692 0.138 1
1 1285 . 4 1 1 A 112 112 GLU CA C 112 52.600 53.292 -0.692 1
1 1286 . 4 1 1 A 112 112 GLU CB C 112 29.300 30.421 -1.121 1
1 1288 . 4 1 1 A 112 112 GLU N N 112 116.400 117.222 -0.822 1
1 1289 . 4 1 1 A 113 113 PRO HA H 113 3.940 4.415 -0.475 1
1 1296 . 4 1 1 A 113 113 PRO CA C 113 65.600 64.440 1.160 1
1 1297 . 4 1 1 A 113 113 PRO CB C 113 31.900 32.106 -0.206 1
1 1300 . 4 1 1 A 114 114 GLN H H 114 8.610 8.046 0.564 1
1 1301 . 4 1 1 A 114 114 GLN HA H 114 4.250 4.224 0.026 1
1 1308 . 4 1 1 A 114 114 GLN CA C 114 56.100 56.997 -0.897 1
1 1309 . 4 1 1 A 114 114 GLN CB C 114 28.300 29.501 -1.201 1
1 1311 . 4 1 1 A 114 114 GLN N N 114 113.500 116.339 -2.839 1
1 1313 . 4 1 1 A 115 115 LYS H H 115 8.040 7.702 0.338 1
1 1314 . 4 1 1 A 115 115 LYS HA H 115 4.620 4.743 -0.123 1
1 1323 . 4 1 1 A 115 115 LYS CA C 115 53.500 53.686 -0.186 1
1 1324 . 4 1 1 A 115 115 LYS CB C 115 33.400 33.171 0.229 1
1 1328 . 4 1 1 A 115 115 LYS N N 115 121.000 119.510 1.490 1
1 1329 . 4 1 1 A 116 116 PRO HA H 116 4.560 4.482 0.078 1
1 1336 . 4 1 1 A 116 116 PRO CA C 116 62.900 63.045 -0.145 1
1 1337 . 4 1 1 A 116 116 PRO CB C 116 32.500 31.751 0.749 1
1 1340 . 4 1 1 A 117 117 VAL H H 117 7.850 8.049 -0.199 1
1 1341 . 4 1 1 A 117 117 VAL HA H 117 4.360 4.278 0.082 1
1 1349 . 4 1 1 A 117 117 VAL CA C 117 61.200 61.694 -0.494 1
1 1350 . 4 1 1 A 117 117 VAL CB C 117 35.900 31.657 4.243 1
1 1353 . 4 1 1 A 117 117 VAL N N 117 120.600 124.061 -3.461 1
1 1354 . 4 1 1 A 118 118 CYS H H 118 8.820 9.094 -0.274 1
1 1355 . 4 1 1 A 118 118 CYS HA H 118 5.340 5.870 -0.530 1
1 1358 . 4 1 1 A 118 118 CYS CA C 118 56.400 56.844 -0.444 1
1 1359 . 4 1 1 A 118 118 CYS CB C 118 28.700 30.513 -1.813 1
1 1360 . 4 1 1 A 118 118 CYS N N 118 127.100 126.399 0.701 1
1 1361 . 4 1 1 A 119 119 LYS H H 119 8.530 8.877 -0.347 1
1 1362 . 4 1 1 A 119 119 LYS HA H 119 4.590 4.949 -0.359 1
1 1371 . 4 1 1 A 119 119 LYS CA C 119 54.900 54.688 0.212 1
1 1372 . 4 1 1 A 119 119 LYS CB C 119 39.600 36.624 2.976 1
1 1376 . 4 1 1 A 119 119 LYS N N 119 126.400 123.415 2.985 1
1 1377 . 4 1 1 A 120 120 SER H H 120 8.220 8.717 -0.497 1
1 1378 . 4 1 1 A 120 120 SER HA H 120 4.870 5.520 -0.650 1
1 1381 . 4 1 1 A 120 120 SER CA C 120 56.300 56.166 0.134 1
1 1382 . 4 1 1 A 120 120 SER CB C 120 63.300 65.618 -2.318 1
1 1383 . 4 1 1 A 120 120 SER N N 120 114.500 113.256 1.244 1
1 1384 . 4 1 1 A 121 121 PHE H H 121 8.450 9.469 -1.019 1
1 1385 . 4 1 1 A 121 121 PHE HA H 121 5.160 5.279 -0.119 1
1 1393 . 4 1 1 A 121 121 PHE CA C 121 57.200 56.231 0.969 1
1 1394 . 4 1 1 A 121 121 PHE CB C 121 42.700 42.220 0.480 1
1 1398 . 4 1 1 A 121 121 PHE N N 121 124.400 120.891 3.509 1
1 1399 . 4 1 1 A 122 122 LEU H H 122 9.070 9.700 -0.630 1
1 1400 . 4 1 1 A 122 122 LEU HA H 122 5.270 5.110 0.160 1
1 1410 . 4 1 1 A 122 122 LEU CA C 122 53.300 53.899 -0.599 1
1 1411 . 4 1 1 A 122 122 LEU CB C 122 42.200 42.300 -0.100 1
1 1415 . 4 1 1 A 122 122 LEU N N 122 120.900 123.901 -3.001 1
1 1416 . 4 1 1 A 123 123 ILE H H 123 9.730 9.162 0.568 1
1 1417 . 4 1 1 A 123 123 ILE HA H 123 4.290 4.623 -0.333 1
1 1427 . 4 1 1 A 123 123 ILE CA C 123 61.400 60.423 0.977 1
1 1428 . 4 1 1 A 123 123 ILE CB C 123 38.000 37.992 0.008 1
1 1432 . 4 1 1 A 123 123 ILE N N 123 125.900 125.875 0.025 1
1 1433 . 4 1 1 A 124 124 LYS H H 124 8.080 8.652 -0.572 1
1 1434 . 4 1 1 A 124 124 LYS HA H 124 4.720 4.672 0.048 1
1 1443 . 4 1 1 A 124 124 LYS CA C 124 54.100 54.419 -0.319 1
1 1444 . 4 1 1 A 124 124 LYS CB C 124 34.700 34.807 -0.107 1
1 1448 . 4 1 1 A 124 124 LYS N N 124 124.600 128.040 -3.440 1
1 1449 . 4 1 1 A 125 125 LYS H H 125 8.830 8.914 -0.084 1
1 1450 . 4 1 1 A 125 125 LYS HA H 125 4.000 3.853 0.147 1
1 1459 . 4 1 1 A 125 125 LYS CA C 125 59.000 60.105 -1.105 1
1 1460 . 4 1 1 A 125 125 LYS CB C 125 31.700 32.545 -0.845 1
1 1464 . 4 1 1 A 125 125 LYS N N 125 120.900 123.793 -2.893 1
1 1465 . 4 1 1 A 126 126 ASP H H 126 8.160 7.735 0.425 1
1 1466 . 4 1 1 A 126 126 ASP HA H 126 4.650 4.344 0.306 1
1 1469 . 4 1 1 A 126 126 ASP CA C 126 53.100 56.803 -3.703 1
1 1470 . 4 1 1 A 126 126 ASP CB C 126 40.300 41.806 -1.506 1
1 1471 . 4 1 1 A 126 126 ASP N N 126 113.200 118.375 -5.175 1
1 1472 . 4 1 1 A 127 127 GLY H H 127 7.370 7.341 0.029 1
1 1473 . 4 1 1 A 127 127 GLY HA2 H 127 4.300 4.036 0.264 1
1 1474 . 4 1 1 A 127 127 GLY HA3 H 127 3.900 4.048 -0.148 1
1 1475 . 4 1 1 A 127 127 GLY CA C 127 45.200 45.613 -0.413 1
1 1476 . 4 1 1 A 127 127 GLY N N 127 107.600 103.058 4.542 1
1 1477 . 4 1 1 A 128 128 VAL H H 128 8.130 8.377 -0.247 1
1 1478 . 4 1 1 A 128 128 VAL HA H 128 4.900 5.030 -0.130 1
1 1486 . 4 1 1 A 128 128 VAL CA C 128 60.900 60.420 0.480 1
1 1487 . 4 1 1 A 128 128 VAL CB C 128 34.000 33.884 0.116 1
1 1490 . 4 1 1 A 128 128 VAL N N 128 118.900 120.394 -1.494 1
1 1491 . 4 1 1 A 129 129 ASP H H 129 9.250 9.451 -0.201 1
1 1492 . 4 1 1 A 129 129 ASP HA H 129 5.220 5.352 -0.132 1
1 1495 . 4 1 1 A 129 129 ASP CA C 129 52.300 52.655 -0.355 1
1 1496 . 4 1 1 A 129 129 ASP CB C 129 43.600 44.789 -1.189 1
1 1497 . 4 1 1 A 129 129 ASP N N 129 126.500 128.237 -1.737 1
1 1498 . 4 1 1 A 130 130 GLU H H 130 8.900 8.741 0.159 1
1 1499 . 4 1 1 A 130 130 GLU HA H 130 4.420 4.620 -0.200 1
1 1504 . 4 1 1 A 130 130 GLU CA C 130 56.400 55.836 0.564 1
1 1505 . 4 1 1 A 130 130 GLU CB C 130 29.800 30.790 -0.990 1
1 1507 . 4 1 1 A 130 130 GLU N N 130 124.000 127.755 -3.755 1
1 1508 . 4 1 1 A 131 131 GLU H H 131 8.860 8.966 -0.106 1
1 1509 . 4 1 1 A 131 131 GLU HA H 131 4.430 4.695 -0.265 1
1 1514 . 4 1 1 A 131 131 GLU CA C 131 53.500 55.075 -1.575 1
1 1515 . 4 1 1 A 131 131 GLU CB C 131 32.500 31.196 1.304 1
1 1517 . 4 1 1 A 131 131 GLU N N 131 129.200 128.153 1.047 1
1 1518 . 4 1 1 A 132 132 GLU H H 132 8.610 8.530 0.080 1
1 1519 . 4 1 1 A 132 132 GLU HA H 132 4.050 4.554 -0.504 1
1 1524 . 4 1 1 A 132 132 GLU CA C 132 57.100 55.816 1.284 1
1 1525 . 4 1 1 A 132 132 GLU CB C 132 30.100 30.560 -0.460 1
1 1527 . 4 1 1 A 132 132 GLU N N 132 126.400 123.740 2.660 1
1 1528 . 4 1 1 A 133 133 ILE H H 133 8.200 8.813 -0.613 1
1 1529 . 4 1 1 A 133 133 ILE HA H 133 4.740 4.954 -0.214 1
1 1539 . 4 1 1 A 133 133 ILE CA C 133 60.000 59.743 0.257 1
1 1540 . 4 1 1 A 133 133 ILE CB C 133 39.300 39.413 -0.113 1
1 1544 . 4 1 1 A 133 133 ILE N N 133 124.500 124.277 0.223 1
1 1545 . 4 1 1 A 134 134 ILE H H 134 9.000 9.588 -0.588 1
1 1546 . 4 1 1 A 134 134 ILE HA H 134 4.190 4.768 -0.578 1
1 1556 . 4 1 1 A 134 134 ILE CA C 134 59.000 59.676 -0.676 1
1 1557 . 4 1 1 A 134 134 ILE CB C 134 38.300 40.129 -1.829 1
1 1561 . 4 1 1 A 134 134 ILE N N 134 130.900 127.606 3.294 1
1 1562 . 4 1 1 A 135 135 LEU H H 135 8.360 8.885 -0.525 1
1 1563 . 4 1 1 A 135 135 LEU HA H 135 5.190 5.338 -0.148 1
1 1573 . 4 1 1 A 135 135 LEU CA C 135 52.700 53.694 -0.994 1
1 1574 . 4 1 1 A 135 135 LEU CB C 135 42.800 43.238 -0.438 1
1 1578 . 4 1 1 A 135 135 LEU N N 135 127.100 127.596 -0.496 1
1 1579 . 4 1 1 A 136 136 LYS H H 136 8.790 9.171 -0.381 1
1 1580 . 4 1 1 A 136 136 LYS HA H 136 4.330 4.850 -0.520 1
1 1589 . 4 1 1 A 136 136 LYS CA C 136 55.600 54.210 1.390 1
1 1590 . 4 1 1 A 136 136 LYS CB C 136 34.600 35.766 -1.166 1
1 1594 . 4 1 1 A 136 136 LYS N N 136 125.100 124.400 0.700 1
1 1595 . 4 1 1 A 137 137 GLU H H 137 8.850 8.804 0.046 1
1 1596 . 4 1 1 A 137 137 GLU HA H 137 4.240 4.538 -0.298 1
1 1601 . 4 1 1 A 137 137 GLU CA C 137 57.600 56.374 1.226 1
1 1602 . 4 1 1 A 137 137 GLU CB C 137 29.900 30.474 -0.574 1
1 1604 . 4 1 1 A 137 137 GLU N N 137 121.100 121.279 -0.179 1
1 1605 . 4 1 1 A 138 138 GLU H H 138 8.150 7.548 0.602 1
1 1606 . 4 1 1 A 138 138 GLU HA H 138 4.370 4.660 -0.290 1
1 1611 . 4 1 1 A 138 138 GLU CA C 138 55.800 55.676 0.124 1
1 1612 . 4 1 1 A 138 138 GLU CB C 138 30.700 31.265 -0.565 1
1 1614 . 4 1 1 A 138 138 GLU N N 138 119.300 117.917 1.383 1
1 1615 . 4 1 1 A 139 139 LEU H H 139 8.240 8.488 -0.248 1
1 1616 . 4 1 1 A 139 139 LEU HA H 139 4.180 4.717 -0.537 1
1 1626 . 4 1 1 A 139 139 LEU CA C 139 55.400 53.398 2.002 1
1 1627 . 4 1 1 A 139 139 LEU CB C 139 42.300 42.652 -0.352 1
1 1631 . 4 1 1 A 139 139 LEU N N 139 122.800 124.136 -1.336 1
1 1632 . 4 1 1 A 140 140 GLU H H 140 8.250 8.244 0.006 1
1 1633 . 4 1 1 A 140 140 GLU HA H 140 4.150 4.205 -0.055 1
1 1638 . 4 1 1 A 140 140 GLU CA C 140 56.400 57.101 -0.701 1
1 1639 . 4 1 1 A 140 140 GLU CB C 140 29.900 31.148 -1.248 1
1 1641 . 4 1 1 A 140 140 GLU N N 140 120.700 121.347 -0.647 1
1 1642 . 4 1 1 A 141 141 HIS H H 141 8.400 8.926 -0.526 1
1 13 . 5 1 1 A 2 2 ILE H H 2 8.780 8.312 0.468 1
1 14 . 5 1 1 A 2 2 ILE HA H 2 5.060 5.123 -0.063 1
1 24 . 5 1 1 A 2 2 ILE CA C 2 58.500 58.862 -0.362 1
1 25 . 5 1 1 A 2 2 ILE CB C 2 41.300 40.802 0.498 1
1 29 . 5 1 1 A 2 2 ILE N N 2 124.600 121.553 3.047 1
1 30 . 5 1 1 A 3 3 THR H H 3 8.280 9.068 -0.788 1
1 31 . 5 1 1 A 3 3 THR HA H 3 5.350 5.498 -0.148 1
1 36 . 5 1 1 A 3 3 THR CA C 3 60.900 61.806 -0.906 1
1 37 . 5 1 1 A 3 3 THR CB C 3 69.900 70.681 -0.781 1
1 39 . 5 1 1 A 3 3 THR N N 3 123.200 124.497 -1.297 1
1 40 . 5 1 1 A 4 4 LEU H H 4 8.710 9.027 -0.317 1
1 41 . 5 1 1 A 4 4 LEU HA H 4 5.040 5.081 -0.041 1
1 51 . 5 1 1 A 4 4 LEU CA C 4 53.800 53.544 0.256 1
1 52 . 5 1 1 A 4 4 LEU CB C 4 45.800 45.789 0.011 1
1 56 . 5 1 1 A 4 4 LEU N N 4 127.600 121.923 5.677 1
1 57 . 5 1 1 A 5 5 THR H H 5 8.440 8.267 0.173 1
1 58 . 5 1 1 A 5 5 THR HA H 5 5.040 4.954 0.086 1
1 63 . 5 1 1 A 5 5 THR CA C 5 59.300 60.224 -0.924 1
1 64 . 5 1 1 A 5 5 THR CB C 5 71.000 71.629 -0.629 1
1 66 . 5 1 1 A 5 5 THR N N 5 109.500 111.627 -2.127 1
1 67 . 5 1 1 A 6 6 LYS H H 6 8.730 8.542 0.188 1
1 68 . 5 1 1 A 6 6 LYS HA H 6 3.810 3.982 -0.172 1
1 77 . 5 1 1 A 6 6 LYS CA C 6 60.000 59.808 0.192 1
1 78 . 5 1 1 A 6 6 LYS CB C 6 32.000 32.057 -0.057 1
1 82 . 5 1 1 A 6 6 LYS N N 6 121.500 121.457 0.043 1
1 83 . 5 1 1 A 7 7 LYS H H 7 8.290 8.025 0.265 1
1 84 . 5 1 1 A 7 7 LYS HA H 7 3.990 3.948 0.042 1
1 93 . 5 1 1 A 7 7 LYS CA C 7 59.200 59.790 -0.590 1
1 94 . 5 1 1 A 7 7 LYS CB C 7 32.400 32.165 0.235 1
1 98 . 5 1 1 A 7 7 LYS N N 7 118.800 120.645 -1.845 1
1 99 . 5 1 1 A 8 8 GLN H H 8 7.650 7.913 -0.263 1
1 100 . 5 1 1 A 8 8 GLN HA H 8 3.890 3.945 -0.055 1
1 107 . 5 1 1 A 8 8 GLN CA C 8 58.100 59.142 -1.042 1
1 108 . 5 1 1 A 8 8 GLN CB C 8 27.400 28.933 -1.533 1
1 110 . 5 1 1 A 8 8 GLN N N 8 119.800 118.549 1.251 1
1 112 . 5 1 1 A 9 9 MET H H 9 8.130 8.242 -0.112 1
1 113 . 5 1 1 A 9 9 MET HA H 9 4.130 3.918 0.212 1
1 121 . 5 1 1 A 9 9 MET CA C 9 57.500 58.337 -0.837 1
1 122 . 5 1 1 A 9 9 MET CB C 9 30.900 31.974 -1.074 1
1 125 . 5 1 1 A 9 9 MET N N 9 118.300 119.744 -1.444 1
1 126 . 5 1 1 A 10 10 GLU H H 10 8.460 8.591 -0.131 1
1 127 . 5 1 1 A 10 10 GLU HA H 10 3.890 3.960 -0.070 1
1 132 . 5 1 1 A 10 10 GLU CA C 10 59.100 59.495 -0.395 1
1 133 . 5 1 1 A 10 10 GLU CB C 10 28.500 29.180 -0.680 1
1 135 . 5 1 1 A 10 10 GLU N N 10 118.500 117.967 0.533 1
1 136 . 5 1 1 A 11 11 GLU H H 11 8.200 8.429 -0.229 1
1 137 . 5 1 1 A 11 11 GLU HA H 11 4.070 4.022 0.048 1
1 142 . 5 1 1 A 11 11 GLU CA C 11 59.200 58.970 0.230 1
1 143 . 5 1 1 A 11 11 GLU CB C 11 28.900 29.434 -0.534 1
1 145 . 5 1 1 A 11 11 GLU N N 11 120.800 120.420 0.380 1
1 146 . 5 1 1 A 12 12 MET H H 12 7.780 8.320 -0.540 1
1 147 . 5 1 1 A 12 12 MET HA H 12 3.390 4.102 -0.712 1
1 155 . 5 1 1 A 12 12 MET CA C 12 60.600 58.449 2.151 1
1 156 . 5 1 1 A 12 12 MET CB C 12 33.900 33.247 0.653 1
1 159 . 5 1 1 A 12 12 MET N N 12 119.300 119.091 0.209 1
1 160 . 5 1 1 A 13 13 LEU H H 13 8.340 8.737 -0.397 1
1 161 . 5 1 1 A 13 13 LEU HA H 13 3.770 4.026 -0.256 1
1 171 . 5 1 1 A 13 13 LEU CA C 13 58.000 57.929 0.071 1
1 172 . 5 1 1 A 13 13 LEU CB C 13 41.400 41.390 0.010 1
1 176 . 5 1 1 A 13 13 LEU N N 13 118.600 119.762 -1.162 1
1 177 . 5 1 1 A 14 14 ALA H H 14 8.620 8.577 0.043 1
1 178 . 5 1 1 A 14 14 ALA HA H 14 4.100 4.097 0.003 1
1 182 . 5 1 1 A 14 14 ALA CA C 14 55.200 55.215 -0.015 1
1 183 . 5 1 1 A 14 14 ALA CB C 14 17.800 18.288 -0.488 1
1 184 . 5 1 1 A 14 14 ALA N N 14 121.500 121.380 0.120 1
1 185 . 5 1 1 A 15 15 HIS H H 15 7.780 7.906 -0.126 1
1 186 . 5 1 1 A 15 15 HIS HA H 15 4.460 4.291 0.169 1
1 190 . 5 1 1 A 15 15 HIS CA C 15 59.000 59.774 -0.774 1
1 191 . 5 1 1 A 15 15 HIS CB C 15 29.300 29.338 -0.038 1
1 193 . 5 1 1 A 15 15 HIS N N 15 116.700 118.074 -1.374 1
1 194 . 5 1 1 A 16 16 ALA H H 16 8.390 8.118 0.272 1
1 195 . 5 1 1 A 16 16 ALA HA H 16 4.100 3.900 0.200 1
1 199 . 5 1 1 A 16 16 ALA CA C 16 54.500 55.378 -0.878 1
1 200 . 5 1 1 A 16 16 ALA CB C 16 18.200 18.109 0.091 1
1 201 . 5 1 1 A 16 16 ALA N N 16 120.000 121.302 -1.302 1
1 202 . 5 1 1 A 17 17 ARG H H 17 8.820 8.358 0.462 1
1 203 . 5 1 1 A 17 17 ARG HA H 17 3.890 4.039 -0.149 1
1 210 . 5 1 1 A 17 17 ARG CA C 17 59.900 59.509 0.391 1
1 211 . 5 1 1 A 17 17 ARG CB C 17 30.100 29.752 0.348 1
1 214 . 5 1 1 A 17 17 ARG N N 17 118.900 117.346 1.554 1
1 215 . 5 1 1 A 18 18 GLN H H 18 8.130 8.041 0.089 1
1 216 . 5 1 1 A 18 18 GLN HA H 18 4.060 4.078 -0.018 1
1 223 . 5 1 1 A 18 18 GLN CA C 18 57.900 58.688 -0.788 1
1 224 . 5 1 1 A 18 18 GLN CB C 18 28.000 28.601 -0.601 1
1 226 . 5 1 1 A 18 18 GLN N N 18 118.100 119.321 -1.221 1
1 228 . 5 1 1 A 19 19 ALA H H 19 7.090 7.329 -0.239 1
1 229 . 5 1 1 A 19 19 ALA HA H 19 4.220 4.343 -0.123 1
1 233 . 5 1 1 A 19 19 ALA CA C 19 52.300 51.680 0.620 1
1 234 . 5 1 1 A 19 19 ALA CB C 19 20.600 19.045 1.555 1
1 235 . 5 1 1 A 19 19 ALA N N 19 117.600 119.297 -1.697 1
1 236 . 5 1 1 A 20 20 LEU H H 20 7.020 7.308 -0.288 1
1 237 . 5 1 1 A 20 20 LEU HA H 20 4.110 4.407 -0.297 1
1 247 . 5 1 1 A 20 20 LEU CA C 20 54.600 53.785 0.815 1
1 248 . 5 1 1 A 20 20 LEU CB C 20 40.400 41.203 -0.803 1
1 252 . 5 1 1 A 20 20 LEU N N 20 117.900 122.046 -4.146 1
1 253 . 5 1 1 A 21 21 PRO HA H 21 4.320 4.627 -0.307 1
1 260 . 5 1 1 A 21 21 PRO CA C 21 63.700 63.480 0.220 1
1 261 . 5 1 1 A 21 21 PRO CB C 21 35.000 32.080 2.920 1
1 264 . 5 1 1 A 22 22 ASN H H 22 8.690 8.195 0.495 1
1 265 . 5 1 1 A 22 22 ASN HA H 22 4.570 4.932 -0.362 1
1 270 . 5 1 1 A 22 22 ASN CA C 22 52.400 52.433 -0.033 1
1 271 . 5 1 1 A 22 22 ASN CB C 22 40.000 39.889 0.111 1
1 272 . 5 1 1 A 22 22 ASN N N 22 122.000 121.068 0.932 1
1 274 . 5 1 1 A 23 23 GLU H H 23 8.540 8.432 0.108 1
1 275 . 5 1 1 A 23 23 GLU HA H 23 4.050 4.842 -0.792 1
1 280 . 5 1 1 A 23 23 GLU CA C 23 57.300 56.395 0.905 1
1 281 . 5 1 1 A 23 23 GLU CB C 23 29.000 30.334 -1.334 1
1 283 . 5 1 1 A 23 23 GLU N N 23 116.100 119.260 -3.160 1
1 284 . 5 1 1 A 24 24 ALA H H 24 8.390 7.932 0.458 1
1 285 . 5 1 1 A 24 24 ALA HA H 24 5.040 3.955 1.085 1
1 289 . 5 1 1 A 24 24 ALA CA C 24 48.900 52.763 -3.863 1
1 290 . 5 1 1 A 24 24 ALA CB C 24 23.200 17.667 5.533 1
1 291 . 5 1 1 A 24 24 ALA N N 24 124.800 121.116 3.684 1
1 292 . 5 1 1 A 25 25 CYS H H 25 8.910 8.254 0.656 1
1 293 . 5 1 1 A 25 25 CYS HA H 25 5.000 5.447 -0.447 1
1 296 . 5 1 1 A 25 25 CYS CA C 25 55.000 57.246 -2.246 1
1 297 . 5 1 1 A 25 25 CYS CB C 25 32.600 31.102 1.498 1
1 298 . 5 1 1 A 25 25 CYS N N 25 111.700 120.812 -9.112 1
1 299 . 5 1 1 A 26 26 GLY H H 26 7.110 7.587 -0.477 1
1 300 . 5 1 1 A 26 26 GLY HA2 H 26 3.820 4.017 -0.197 1
1 301 . 5 1 1 A 26 26 GLY HA3 H 26 4.070 4.201 -0.131 1
1 302 . 5 1 1 A 26 26 GLY CA C 26 46.500 45.996 0.504 1
1 303 . 5 1 1 A 26 26 GLY N N 26 103.200 109.477 -6.277 1
1 304 . 5 1 1 A 27 27 LEU H H 27 8.830 9.286 -0.456 1
1 305 . 5 1 1 A 27 27 LEU HA H 27 5.200 5.338 -0.138 1
1 315 . 5 1 1 A 27 27 LEU CA C 27 53.200 53.323 -0.123 1
1 316 . 5 1 1 A 27 27 LEU CB C 27 46.600 45.618 0.982 1
1 320 . 5 1 1 A 27 27 LEU N N 27 116.700 122.194 -5.494 1
1 321 . 5 1 1 A 28 28 LEU H H 28 8.060 8.880 -0.820 1
1 322 . 5 1 1 A 28 28 LEU HA H 28 5.200 5.315 -0.115 1
1 332 . 5 1 1 A 28 28 LEU CA C 28 53.400 53.005 0.395 1
1 333 . 5 1 1 A 28 28 LEU CB C 28 44.900 44.627 0.273 1
1 337 . 5 1 1 A 28 28 LEU N N 28 118.200 121.945 -3.745 1
1 338 . 5 1 1 A 29 29 GLY H H 29 9.210 8.779 0.431 1
1 339 . 5 1 1 A 29 29 GLY HA2 H 29 3.750 4.355 -0.605 1
1 340 . 5 1 1 A 29 29 GLY HA3 H 29 5.800 4.363 1.437 1
1 341 . 5 1 1 A 29 29 GLY CA C 29 43.600 44.422 -0.822 1
1 342 . 5 1 1 A 29 29 GLY N N 29 109.500 110.975 -1.475 1
1 343 . 5 1 1 A 30 30 GLY H H 30 9.520 8.538 0.982 1
1 344 . 5 1 1 A 30 30 GLY HA2 H 30 3.210 3.623 -0.413 1
1 345 . 5 1 1 A 30 30 GLY HA3 H 30 4.800 4.120 0.680 1
1 346 . 5 1 1 A 30 30 GLY CA C 30 47.500 45.578 1.922 1
1 347 . 5 1 1 A 30 30 GLY N N 30 111.700 108.422 3.278 1
1 348 . 5 1 1 A 31 31 ARG H H 31 8.900 8.291 0.609 1
1 349 . 5 1 1 A 31 31 ARG HA H 31 5.170 5.140 0.030 1
1 356 . 5 1 1 A 31 31 ARG CA C 31 54.200 54.860 -0.660 1
1 357 . 5 1 1 A 31 31 ARG CB C 31 34.200 33.122 1.078 1
1 360 . 5 1 1 A 31 31 ARG N N 31 123.000 122.310 0.690 1
1 361 . 5 1 1 A 32 32 ARG H H 32 9.070 9.084 -0.014 1
1 362 . 5 1 1 A 32 32 ARG HA H 32 5.140 5.239 -0.099 1
1 369 . 5 1 1 A 32 32 ARG CA C 32 54.700 54.446 0.254 1
1 370 . 5 1 1 A 32 32 ARG CB C 32 33.700 33.200 0.500 1
1 373 . 5 1 1 A 32 32 ARG N N 32 121.500 124.661 -3.161 1
1 374 . 5 1 1 A 33 33 ASP H H 33 8.640 8.718 -0.078 1
1 375 . 5 1 1 A 33 33 ASP HA H 33 4.850 5.112 -0.262 1
1 378 . 5 1 1 A 33 33 ASP CA C 33 53.400 53.250 0.150 1
1 379 . 5 1 1 A 33 33 ASP CB C 33 42.100 43.749 -1.649 1
1 380 . 5 1 1 A 33 33 ASP N N 33 124.200 126.181 -1.981 1
1 381 . 5 1 1 A 34 34 GLY H H 34 9.020 9.012 0.008 1
1 382 . 5 1 1 A 34 34 GLY HA2 H 34 3.670 3.853 -0.183 1
1 383 . 5 1 1 A 34 34 GLY HA3 H 34 4.000 3.858 0.142 1
1 384 . 5 1 1 A 34 34 GLY CA C 34 47.200 47.301 -0.101 1
1 385 . 5 1 1 A 34 34 GLY N N 34 115.900 115.442 0.458 1
1 386 . 5 1 1 A 35 35 ASP H H 35 9.070 8.752 0.318 1
1 387 . 5 1 1 A 35 35 ASP HA H 35 4.650 4.790 -0.140 1
1 390 . 5 1 1 A 35 35 ASP CA C 35 54.800 53.517 1.283 1
1 391 . 5 1 1 A 35 35 ASP CB C 35 41.000 42.507 -1.507 1
1 392 . 5 1 1 A 35 35 ASP N N 35 127.300 126.204 1.096 1
1 393 . 5 1 1 A 36 36 ASP H H 36 8.070 7.485 0.585 1
1 394 . 5 1 1 A 36 36 ASP HA H 36 4.950 4.368 0.582 1
1 397 . 5 1 1 A 36 36 ASP CA C 36 53.700 54.507 -0.807 1
1 398 . 5 1 1 A 36 36 ASP CB C 36 41.700 40.993 0.707 1
1 399 . 5 1 1 A 36 36 ASP N N 36 120.600 119.750 0.850 1
1 400 . 5 1 1 A 37 37 ARG H H 37 8.070 8.548 -0.478 1
1 401 . 5 1 1 A 37 37 ARG HA H 37 4.850 4.750 0.100 1
1 408 . 5 1 1 A 37 37 ARG CA C 37 55.400 54.102 1.298 1
1 409 . 5 1 1 A 37 37 ARG CB C 37 32.900 32.828 0.072 1
1 412 . 5 1 1 A 37 37 ARG N N 37 120.800 118.304 2.496 1
1 413 . 5 1 1 A 38 38 TRP H H 38 9.380 9.424 -0.044 1
1 414 . 5 1 1 A 38 38 TRP HA H 38 4.840 5.123 -0.283 1
1 423 . 5 1 1 A 38 38 TRP CA C 38 57.000 55.544 1.456 1
1 424 . 5 1 1 A 38 38 TRP CB C 38 30.100 32.587 -2.487 1
1 430 . 5 1 1 A 38 38 TRP N N 38 124.900 123.178 1.722 1
1 432 . 5 1 1 A 39 39 VAL H H 39 8.450 9.079 -0.629 1
1 433 . 5 1 1 A 39 39 VAL HA H 39 3.390 4.086 -0.696 1
1 441 . 5 1 1 A 39 39 VAL CA C 39 64.500 62.934 1.566 1
1 442 . 5 1 1 A 39 39 VAL CB C 39 31.500 31.390 0.110 1
1 445 . 5 1 1 A 39 39 VAL N N 39 124.400 124.458 -0.058 1
1 446 . 5 1 1 A 40 40 GLU H H 40 9.080 8.535 0.545 1
1 447 . 5 1 1 A 40 40 GLU HA H 40 4.350 4.537 -0.187 1
1 452 . 5 1 1 A 40 40 GLU CA C 40 54.900 55.820 -0.920 1
1 453 . 5 1 1 A 40 40 GLU CB C 40 29.500 30.547 -1.047 1
1 455 . 5 1 1 A 40 40 GLU N N 40 124.200 126.247 -2.047 1
1 456 . 5 1 1 A 41 41 ARG H H 41 7.610 7.180 0.430 1
1 457 . 5 1 1 A 41 41 ARG HA H 41 4.070 4.714 -0.644 1
1 464 . 5 1 1 A 41 41 ARG CA C 41 56.800 55.266 1.534 1
1 465 . 5 1 1 A 41 41 ARG CB C 41 33.600 33.260 0.340 1
1 468 . 5 1 1 A 41 41 ARG N N 41 120.000 120.139 -0.139 1
1 469 . 5 1 1 A 42 42 VAL H H 42 8.460 8.814 -0.354 1
1 470 . 5 1 1 A 42 42 VAL HA H 42 4.300 4.733 -0.433 1
1 478 . 5 1 1 A 42 42 VAL CA C 42 60.900 61.134 -0.234 1
1 479 . 5 1 1 A 42 42 VAL CB C 42 32.900 33.597 -0.697 1
1 482 . 5 1 1 A 42 42 VAL N N 42 125.600 127.061 -1.461 1
1 483 . 5 1 1 A 43 43 TYR H H 43 9.070 8.552 0.518 1
1 484 . 5 1 1 A 43 43 TYR HA H 43 4.930 5.379 -0.449 1
1 491 . 5 1 1 A 43 43 TYR CA C 43 54.600 55.107 -0.507 1
1 492 . 5 1 1 A 43 43 TYR CB C 43 38.500 39.004 -0.504 1
1 495 . 5 1 1 A 43 43 TYR N N 43 124.800 125.734 -0.934 1
1 496 . 5 1 1 A 44 44 PRO HA H 44 4.260 4.196 0.064 1
1 503 . 5 1 1 A 44 44 PRO CA C 44 63.200 62.889 0.311 1
1 504 . 5 1 1 A 44 44 PRO CB C 44 30.100 31.599 -1.499 1
1 507 . 5 1 1 A 45 45 LEU H H 45 8.270 8.257 0.013 1
1 508 . 5 1 1 A 45 45 LEU HA H 45 4.930 4.918 0.012 1
1 518 . 5 1 1 A 45 45 LEU CA C 45 53.800 53.302 0.498 1
1 519 . 5 1 1 A 45 45 LEU CB C 45 45.600 44.101 1.499 1
1 523 . 5 1 1 A 45 45 LEU N N 45 125.800 123.447 2.353 1
1 524 . 5 1 1 A 46 46 ASN H H 46 9.120 9.216 -0.096 1
1 525 . 5 1 1 A 46 46 ASN HA H 46 4.630 5.459 -0.829 1
1 530 . 5 1 1 A 46 46 ASN CA C 46 56.000 52.150 3.850 1
1 531 . 5 1 1 A 46 46 ASN CB C 46 39.000 41.933 -2.933 1
1 532 . 5 1 1 A 46 46 ASN N N 46 119.000 118.819 0.181 1
1 534 . 5 1 1 A 47 47 ASN H H 47 8.460 8.712 -0.252 1
1 535 . 5 1 1 A 47 47 ASN HA H 47 5.260 5.306 -0.046 1
1 540 . 5 1 1 A 47 47 ASN CA C 47 51.200 51.969 -0.769 1
1 541 . 5 1 1 A 47 47 ASN CB C 47 37.700 39.728 -2.028 1
1 542 . 5 1 1 A 47 47 ASN N N 47 118.500 122.661 -4.161 1
1 544 . 5 1 1 A 48 48 LEU H H 48 8.890 9.282 -0.392 1
1 545 . 5 1 1 A 48 48 LEU HA H 48 4.070 4.123 -0.053 1
1 555 . 5 1 1 A 48 48 LEU CA C 48 56.800 57.398 -0.598 1
1 556 . 5 1 1 A 48 48 LEU CB C 48 41.600 41.593 0.007 1
1 560 . 5 1 1 A 48 48 LEU N N 48 127.100 126.928 0.172 1
1 561 . 5 1 1 A 49 49 ASP H H 49 7.820 7.954 -0.134 1
1 562 . 5 1 1 A 49 49 ASP HA H 49 4.430 4.451 -0.021 1
1 565 . 5 1 1 A 49 49 ASP CA C 49 54.500 57.462 -2.962 1
1 566 . 5 1 1 A 49 49 ASP CB C 49 40.100 41.437 -1.337 1
1 567 . 5 1 1 A 49 49 ASP N N 49 115.700 120.576 -4.876 1
1 568 . 5 1 1 A 50 50 GLN H H 50 7.770 8.066 -0.296 1
1 569 . 5 1 1 A 50 50 GLN HA H 50 3.880 4.062 -0.182 1
1 576 . 5 1 1 A 50 50 GLN CA C 50 56.000 56.986 -0.986 1
1 577 . 5 1 1 A 50 50 GLN CB C 50 27.400 27.601 -0.201 1
1 579 . 5 1 1 A 50 50 GLN N N 50 115.300 118.970 -3.670 1
1 581 . 5 1 1 A 51 51 SER H H 51 6.370 7.852 -1.482 1
1 582 . 5 1 1 A 51 51 SER HA H 51 5.210 4.952 0.258 1
1 585 . 5 1 1 A 51 51 SER CA C 51 53.700 55.377 -1.677 1
1 586 . 5 1 1 A 51 51 SER CB C 51 66.100 64.949 1.151 1
1 587 . 5 1 1 A 51 51 SER N N 51 109.000 114.516 -5.516 1
1 588 . 5 1 1 A 52 52 PRO HA H 52 4.830 4.600 0.230 1
1 595 . 5 1 1 A 52 52 PRO CA C 52 64.000 64.424 -0.424 1
1 596 . 5 1 1 A 52 52 PRO CB C 52 33.300 31.762 1.538 1
1 599 . 5 1 1 A 53 53 GLU H H 53 8.320 8.261 0.059 1
1 600 . 5 1 1 A 53 53 GLU HA H 53 4.510 4.646 -0.136 1
1 605 . 5 1 1 A 53 53 GLU CA C 53 55.700 56.651 -0.951 1
1 606 . 5 1 1 A 53 53 GLU CB C 53 32.400 31.204 1.196 1
1 608 . 5 1 1 A 53 53 GLU N N 53 113.900 116.430 -2.530 1
1 609 . 5 1 1 A 54 54 HIS H H 54 7.070 7.747 -0.677 1
1 610 . 5 1 1 A 54 54 HIS HA H 54 4.750 5.335 -0.585 1
1 614 . 5 1 1 A 54 54 HIS CA C 54 54.100 53.972 0.128 1
1 615 . 5 1 1 A 54 54 HIS CB C 54 31.100 33.593 -2.493 1
1 617 . 5 1 1 A 54 54 HIS N N 54 112.500 117.972 -5.472 1
1 618 . 5 1 1 A 55 55 PHE H H 55 7.900 8.724 -0.824 1
1 619 . 5 1 1 A 55 55 PHE HA H 55 5.580 5.595 -0.015 1
1 627 . 5 1 1 A 55 55 PHE CA C 55 55.400 55.474 -0.074 1
1 628 . 5 1 1 A 55 55 PHE CB C 55 41.200 41.487 -0.287 1
1 632 . 5 1 1 A 55 55 PHE N N 55 114.900 119.054 -4.154 1
1 633 . 5 1 1 A 56 56 SER H H 56 7.690 8.806 -1.116 1
1 634 . 5 1 1 A 56 56 SER HA H 56 4.300 5.030 -0.730 1
1 637 . 5 1 1 A 56 56 SER CA C 56 57.800 57.498 0.302 1
1 638 . 5 1 1 A 56 56 SER CB C 56 65.300 65.997 -0.697 1
1 639 . 5 1 1 A 56 56 SER N N 56 112.900 118.169 -5.269 1
1 640 . 5 1 1 A 57 57 MET H H 57 8.750 9.223 -0.473 1
1 641 . 5 1 1 A 57 57 MET HA H 57 4.860 5.234 -0.374 1
1 649 . 5 1 1 A 57 57 MET CA C 57 54.400 53.578 0.822 1
1 650 . 5 1 1 A 57 57 MET CB C 57 36.000 35.972 0.028 1
1 653 . 5 1 1 A 57 57 MET N N 57 120.000 122.849 -2.849 1
1 654 . 5 1 1 A 58 58 ASP H H 58 10.180 8.759 1.421 1
1 655 . 5 1 1 A 58 58 ASP HA H 58 4.740 4.896 -0.156 1
1 658 . 5 1 1 A 58 58 ASP CA C 58 51.700 51.583 0.117 1
1 659 . 5 1 1 A 58 58 ASP CB C 58 42.700 42.586 0.114 1
1 660 . 5 1 1 A 58 58 ASP N N 58 126.600 122.019 4.581 1
1 661 . 5 1 1 A 59 59 PRO HA H 59 4.400 4.408 -0.008 1
1 668 . 5 1 1 A 59 59 PRO CA C 59 65.300 65.628 -0.328 1
1 669 . 5 1 1 A 59 59 PRO CB C 59 32.300 31.780 0.520 1
1 672 . 5 1 1 A 60 60 ARG H H 60 8.520 8.735 -0.215 1
1 673 . 5 1 1 A 60 60 ARG HA H 60 4.120 4.105 0.015 1
1 680 . 5 1 1 A 60 60 ARG CA C 60 59.200 58.590 0.610 1
1 681 . 5 1 1 A 60 60 ARG CB C 60 29.500 29.794 -0.294 1
1 684 . 5 1 1 A 60 60 ARG N N 60 118.700 116.574 2.126 1
1 685 . 5 1 1 A 61 61 GLU H H 61 7.730 8.738 -1.008 1
1 686 . 5 1 1 A 61 61 GLU HA H 61 4.190 4.086 0.104 1
1 691 . 5 1 1 A 61 61 GLU CA C 61 59.000 59.478 -0.478 1
1 692 . 5 1 1 A 61 61 GLU CB C 61 30.200 29.082 1.118 1
1 694 . 5 1 1 A 61 61 GLU N N 61 119.800 119.117 0.683 1
1 695 . 5 1 1 A 62 62 GLN H H 62 8.220 7.807 0.413 1
1 696 . 5 1 1 A 62 62 GLN HA H 62 3.830 4.006 -0.176 1
1 703 . 5 1 1 A 62 62 GLN CA C 62 59.900 58.883 1.017 1
1 704 . 5 1 1 A 62 62 GLN CB C 62 29.000 28.227 0.773 1
1 706 . 5 1 1 A 62 62 GLN N N 62 118.700 119.315 -0.615 1
1 708 . 5 1 1 A 63 63 LEU H H 63 7.950 8.166 -0.216 1
1 709 . 5 1 1 A 63 63 LEU HA H 63 4.110 4.043 0.067 1
1 719 . 5 1 1 A 63 63 LEU CA C 63 58.000 58.200 -0.200 1
1 720 . 5 1 1 A 63 63 LEU CB C 63 41.400 41.551 -0.151 1
1 724 . 5 1 1 A 63 63 LEU N N 63 119.200 122.378 -3.178 1
1 725 . 5 1 1 A 64 64 THR H H 64 7.910 7.943 -0.033 1
1 726 . 5 1 1 A 64 64 THR HA H 64 3.790 3.911 -0.121 1
1 731 . 5 1 1 A 64 64 THR CA C 64 66.800 66.376 0.424 1
1 732 . 5 1 1 A 64 64 THR CB C 64 68.700 68.305 0.395 1
1 734 . 5 1 1 A 64 64 THR N N 64 116.000 114.688 1.312 1
1 735 . 5 1 1 A 65 65 ALA H H 65 7.520 7.594 -0.074 1
1 736 . 5 1 1 A 65 65 ALA HA H 65 3.970 3.834 0.136 1
1 740 . 5 1 1 A 65 65 ALA CA C 65 55.100 54.889 0.211 1
1 741 . 5 1 1 A 65 65 ALA CB C 65 17.900 18.133 -0.233 1
1 742 . 5 1 1 A 65 65 ALA N N 65 125.200 123.412 1.788 1
1 743 . 5 1 1 A 66 66 VAL H H 66 8.420 8.107 0.313 1
1 744 . 5 1 1 A 66 66 VAL HA H 66 3.840 3.336 0.504 1
1 752 . 5 1 1 A 66 66 VAL CA C 66 66.200 67.082 -0.882 1
1 753 . 5 1 1 A 66 66 VAL CB C 66 31.700 31.397 0.303 1
1 756 . 5 1 1 A 66 66 VAL N N 66 119.300 118.840 0.460 1
1 757 . 5 1 1 A 67 67 LYS H H 67 8.570 8.118 0.452 1
1 758 . 5 1 1 A 67 67 LYS HA H 67 3.960 3.904 0.056 1
1 767 . 5 1 1 A 67 67 LYS CA C 67 60.300 59.350 0.950 1
1 768 . 5 1 1 A 67 67 LYS CB C 67 32.200 32.124 0.076 1
1 772 . 5 1 1 A 67 67 LYS N N 67 120.600 119.952 0.648 1
1 773 . 5 1 1 A 68 68 ASP H H 68 7.660 7.692 -0.032 1
1 774 . 5 1 1 A 68 68 ASP HA H 68 4.290 4.377 -0.087 1
1 777 . 5 1 1 A 68 68 ASP CA C 68 58.300 57.230 1.070 1
1 778 . 5 1 1 A 68 68 ASP CB C 68 42.700 40.826 1.874 1
1 779 . 5 1 1 A 68 68 ASP N N 68 121.500 118.968 2.532 1
1 780 . 5 1 1 A 69 69 MET H H 69 8.620 7.994 0.626 1
1 781 . 5 1 1 A 69 69 MET HA H 69 4.250 4.133 0.117 1
1 789 . 5 1 1 A 69 69 MET CA C 69 60.300 58.512 1.788 1
1 790 . 5 1 1 A 69 69 MET CB C 69 32.700 31.928 0.772 1
1 793 . 5 1 1 A 69 69 MET N N 69 120.100 119.337 0.763 1
1 794 . 5 1 1 A 70 70 ARG H H 70 8.500 8.160 0.340 1
1 795 . 5 1 1 A 70 70 ARG HA H 70 4.110 4.392 -0.282 1
1 802 . 5 1 1 A 70 70 ARG CA C 70 59.200 58.508 0.692 1
1 803 . 5 1 1 A 70 70 ARG CB C 70 29.600 29.548 0.052 1
1 806 . 5 1 1 A 70 70 ARG N N 70 119.000 118.203 0.797 1
1 807 . 5 1 1 A 71 71 LYS H H 71 8.020 7.694 0.326 1
1 808 . 5 1 1 A 71 71 LYS HA H 71 3.970 4.026 -0.056 1
1 817 . 5 1 1 A 71 71 LYS CA C 71 58.800 59.129 -0.329 1
1 818 . 5 1 1 A 71 71 LYS CB C 71 32.000 32.110 -0.110 1
1 822 . 5 1 1 A 71 71 LYS N N 71 121.100 119.762 1.338 1
1 823 . 5 1 1 A 72 72 ASN H H 72 6.960 7.247 -0.287 1
1 824 . 5 1 1 A 72 72 ASN HA H 72 4.090 4.670 -0.580 1
1 829 . 5 1 1 A 72 72 ASN CA C 72 53.300 52.963 0.337 1
1 830 . 5 1 1 A 72 72 ASN CB C 72 39.000 38.657 0.343 1
1 831 . 5 1 1 A 72 72 ASN N N 72 114.600 115.434 -0.834 1
1 833 . 5 1 1 A 73 73 GLY H H 73 7.560 7.353 0.207 1
1 834 . 5 1 1 A 73 73 GLY HA2 H 73 3.890 3.849 0.041 1
1 835 . 5 1 1 A 73 73 GLY HA3 H 73 3.760 3.962 -0.202 1
1 836 . 5 1 1 A 73 73 GLY CA C 73 45.900 45.005 0.895 1
1 837 . 5 1 1 A 73 73 GLY N N 73 106.700 106.821 -0.121 1
1 838 . 5 1 1 A 74 74 TRP H H 74 8.240 7.419 0.821 1
1 839 . 5 1 1 A 74 74 TRP HA H 74 5.260 4.743 0.517 1
1 848 . 5 1 1 A 74 74 TRP CA C 74 53.100 57.326 -4.226 1
1 849 . 5 1 1 A 74 74 TRP CB C 74 31.400 30.144 1.256 1
1 855 . 5 1 1 A 74 74 TRP N N 74 120.700 121.217 -0.517 1
1 857 . 5 1 1 A 75 75 VAL H H 75 9.410 8.796 0.614 1
1 858 . 5 1 1 A 75 75 VAL HA H 75 4.800 4.830 -0.030 1
1 866 . 5 1 1 A 75 75 VAL CA C 75 58.500 58.993 -0.493 1
1 867 . 5 1 1 A 75 75 VAL CB C 75 35.500 35.159 0.341 1
1 870 . 5 1 1 A 75 75 VAL N N 75 112.100 116.109 -4.009 1
1 871 . 5 1 1 A 76 76 MET H H 76 8.800 8.892 -0.092 1
1 872 . 5 1 1 A 76 76 MET HA H 76 4.650 4.832 -0.182 1
1 880 . 5 1 1 A 76 76 MET CA C 76 56.900 54.736 2.164 1
1 881 . 5 1 1 A 76 76 MET CB C 76 32.600 33.427 -0.827 1
1 884 . 5 1 1 A 76 76 MET N N 76 122.400 120.937 1.463 1
1 885 . 5 1 1 A 77 77 LEU H H 77 8.780 9.427 -0.647 1
1 886 . 5 1 1 A 77 77 LEU HA H 77 4.480 4.604 -0.124 1
1 896 . 5 1 1 A 77 77 LEU CA C 77 54.100 54.278 -0.178 1
1 897 . 5 1 1 A 77 77 LEU CB C 77 44.700 42.216 2.484 1
1 901 . 5 1 1 A 77 77 LEU N N 77 125.600 122.266 3.334 1
1 902 . 5 1 1 A 78 78 GLY H H 78 7.590 7.398 0.192 1
1 903 . 5 1 1 A 78 78 GLY HA2 H 78 5.150 3.955 1.195 1
1 904 . 5 1 1 A 78 78 GLY HA3 H 78 3.660 3.957 -0.297 1
1 905 . 5 1 1 A 78 78 GLY CA C 78 45.700 43.937 1.763 1
1 906 . 5 1 1 A 78 78 GLY N N 78 102.900 106.688 -3.788 1
1 907 . 5 1 1 A 79 79 ASN H H 79 8.520 8.406 0.114 1
1 908 . 5 1 1 A 79 79 ASN HA H 79 5.230 5.693 -0.463 1
1 913 . 5 1 1 A 79 79 ASN CA C 79 51.100 51.719 -0.619 1
1 914 . 5 1 1 A 79 79 ASN CB C 79 41.500 42.295 -0.795 1
1 915 . 5 1 1 A 79 79 ASN N N 79 115.600 117.212 -1.612 1
1 917 . 5 1 1 A 80 80 PHE H H 80 8.410 8.789 -0.379 1
1 918 . 5 1 1 A 80 80 PHE HA H 80 6.120 5.729 0.391 1
1 926 . 5 1 1 A 80 80 PHE CA C 80 54.500 56.371 -1.871 1
1 927 . 5 1 1 A 80 80 PHE CB C 80 44.800 43.469 1.331 1
1 931 . 5 1 1 A 80 80 PHE N N 80 113.100 116.314 -3.214 1
1 932 . 5 1 1 A 81 81 HIS H H 81 8.310 8.827 -0.517 1
1 933 . 5 1 1 A 81 81 HIS HA H 81 5.300 5.524 -0.224 1
1 938 . 5 1 1 A 81 81 HIS CA C 81 54.400 54.424 -0.024 1
1 939 . 5 1 1 A 81 81 HIS CB C 81 30.300 32.223 -1.923 1
1 942 . 5 1 1 A 81 81 HIS N N 81 111.600 116.401 -4.801 1
1 943 . 5 1 1 A 82 82 SER H H 82 8.390 9.371 -0.981 1
1 944 . 5 1 1 A 82 82 SER HA H 82 5.510 5.183 0.327 1
1 947 . 5 1 1 A 82 82 SER CA C 82 54.800 56.427 -1.627 1
1 948 . 5 1 1 A 82 82 SER CB C 82 66.700 65.204 1.496 1
1 949 . 5 1 1 A 82 82 SER N N 82 112.700 115.892 -3.192 1
1 950 . 5 1 1 A 83 83 HIS H H 83 8.890 9.172 -0.282 1
1 951 . 5 1 1 A 83 83 HIS HA H 83 5.480 4.743 0.737 1
1 956 . 5 1 1 A 83 83 HIS CA C 83 49.900 54.902 -5.002 1
1 957 . 5 1 1 A 83 83 HIS CB C 83 32.000 30.237 1.763 1
1 960 . 5 1 1 A 83 83 HIS N N 83 115.200 124.677 -9.477 1
1 961 . 5 1 1 A 84 84 PRO HA H 84 3.940 4.406 -0.466 1
1 968 . 5 1 1 A 84 84 PRO CA C 84 65.600 65.214 0.386 1
1 969 . 5 1 1 A 84 84 PRO CB C 84 33.300 32.045 1.255 1
1 972 . 5 1 1 A 85 85 ALA H H 85 8.410 8.292 0.118 1
1 973 . 5 1 1 A 85 85 ALA HA H 85 4.670 4.501 0.169 1
1 977 . 5 1 1 A 85 85 ALA CA C 85 51.300 51.519 -0.219 1
1 978 . 5 1 1 A 85 85 ALA CB C 85 21.200 19.538 1.662 1
1 979 . 5 1 1 A 85 85 ALA N N 85 112.800 119.047 -6.247 1
1 980 . 5 1 1 A 86 86 THR H H 86 7.070 7.498 -0.428 1
1 981 . 5 1 1 A 86 86 THR HA H 86 4.960 5.063 -0.103 1
1 986 . 5 1 1 A 86 86 THR CA C 86 58.600 58.589 0.011 1
1 987 . 5 1 1 A 86 86 THR CB C 86 69.500 70.418 -0.918 1
1 989 . 5 1 1 A 86 86 THR N N 86 109.200 107.500 1.700 1
1 990 . 5 1 1 A 87 87 PRO HA H 87 4.630 4.637 -0.007 1
1 997 . 5 1 1 A 87 87 PRO CA C 87 62.700 62.647 0.053 1
1 998 . 5 1 1 A 87 87 PRO CB C 87 33.500 33.654 -0.154 1
1 1001 . 5 1 1 A 88 88 ALA H H 88 9.760 8.381 1.379 1
1 1002 . 5 1 1 A 88 88 ALA HA H 88 3.960 4.438 -0.478 1
1 1006 . 5 1 1 A 88 88 ALA CA C 88 51.700 52.759 -1.059 1
1 1007 . 5 1 1 A 88 88 ALA CB C 88 16.300 19.471 -3.171 1
1 1008 . 5 1 1 A 88 88 ALA N N 88 127.600 120.607 6.993 1
1 1009 . 5 1 1 A 89 89 ARG H H 89 7.570 7.328 0.242 1
1 1010 . 5 1 1 A 89 89 ARG HA H 89 4.280 4.459 -0.179 1
1 1017 . 5 1 1 A 89 89 ARG CA C 89 53.200 54.505 -1.305 1
1 1018 . 5 1 1 A 89 89 ARG CB C 89 31.300 30.384 0.916 1
1 1021 . 5 1 1 A 89 89 ARG N N 89 118.300 116.951 1.349 1
1 1022 . 5 1 1 A 90 90 PRO HA H 90 4.510 4.611 -0.101 1
1 1029 . 5 1 1 A 90 90 PRO CA C 90 62.900 62.629 0.271 1
1 1030 . 5 1 1 A 90 90 PRO CB C 90 31.300 31.989 -0.689 1
1 1033 . 5 1 1 A 91 91 SER H H 91 9.630 8.458 1.172 1
1 1034 . 5 1 1 A 91 91 SER HA H 91 4.600 4.646 -0.046 1
1 1037 . 5 1 1 A 91 91 SER CA C 91 56.500 57.635 -1.135 1
1 1038 . 5 1 1 A 91 91 SER CB C 91 66.000 64.396 1.604 1
1 1039 . 5 1 1 A 91 91 SER N N 91 122.500 117.561 4.939 1
1 1040 . 5 1 1 A 92 92 ALA H H 92 8.910 9.003 -0.093 1
1 1041 . 5 1 1 A 92 92 ALA HA H 92 3.980 3.916 0.064 1
1 1045 . 5 1 1 A 92 92 ALA CA C 92 55.900 55.304 0.596 1
1 1046 . 5 1 1 A 92 92 ALA CB C 92 17.800 18.333 -0.533 1
1 1047 . 5 1 1 A 92 92 ALA N N 92 123.000 127.633 -4.633 1
1 1048 . 5 1 1 A 93 93 GLU H H 93 8.370 7.897 0.473 1
1 1049 . 5 1 1 A 93 93 GLU HA H 93 4.070 4.029 0.041 1
1 1054 . 5 1 1 A 93 93 GLU CA C 93 58.900 59.686 -0.786 1
1 1055 . 5 1 1 A 93 93 GLU CB C 93 28.800 29.983 -1.183 1
1 1057 . 5 1 1 A 93 93 GLU N N 93 118.800 118.049 0.751 1
1 1058 . 5 1 1 A 94 94 ASP H H 94 7.770 8.337 -0.567 1
1 1059 . 5 1 1 A 94 94 ASP HA H 94 4.260 4.776 -0.516 1
1 1062 . 5 1 1 A 94 94 ASP CA C 94 57.100 57.144 -0.044 1
1 1063 . 5 1 1 A 94 94 ASP CB C 94 40.200 40.239 -0.039 1
1 1064 . 5 1 1 A 94 94 ASP N N 94 119.200 120.427 -1.227 1
1 1065 . 5 1 1 A 95 95 LYS H H 95 7.830 8.216 -0.386 1
1 1066 . 5 1 1 A 95 95 LYS HA H 95 3.720 3.860 -0.140 1
1 1075 . 5 1 1 A 95 95 LYS CA C 95 59.500 59.619 -0.119 1
1 1076 . 5 1 1 A 95 95 LYS CB C 95 31.900 32.493 -0.593 1
1 1080 . 5 1 1 A 95 95 LYS N N 95 116.400 121.018 -4.618 1
1 1081 . 5 1 1 A 96 96 ARG H H 96 7.570 7.378 0.192 1
1 1082 . 5 1 1 A 96 96 ARG HA H 96 3.940 3.933 0.007 1
1 1089 . 5 1 1 A 96 96 ARG CA C 96 58.500 58.431 0.069 1
1 1090 . 5 1 1 A 96 96 ARG CB C 96 30.100 29.456 0.644 1
1 1093 . 5 1 1 A 96 96 ARG N N 96 119.400 118.690 0.710 1
1 1094 . 5 1 1 A 97 97 LEU H H 97 7.270 7.283 -0.013 1
1 1095 . 5 1 1 A 97 97 LEU HA H 97 4.030 3.865 0.165 1
1 1105 . 5 1 1 A 97 97 LEU CA C 97 54.400 55.667 -1.267 1
1 1106 . 5 1 1 A 97 97 LEU CB C 97 41.600 41.035 0.565 1
1 1110 . 5 1 1 A 97 97 LEU N N 97 116.100 118.492 -2.392 1
1 1111 . 5 1 1 A 98 98 ALA H H 98 6.950 6.709 0.241 1
1 1112 . 5 1 1 A 98 98 ALA HA H 98 4.230 3.873 0.357 1
1 1116 . 5 1 1 A 98 98 ALA CA C 98 50.800 50.784 0.016 1
1 1117 . 5 1 1 A 98 98 ALA CB C 98 16.700 18.099 -1.399 1
1 1118 . 5 1 1 A 98 98 ALA N N 98 124.800 122.663 2.137 1
1 1119 . 5 1 1 A 99 99 PHE H H 99 7.630 8.272 -0.642 1
1 1120 . 5 1 1 A 99 99 PHE HA H 99 4.490 4.699 -0.209 1
1 1128 . 5 1 1 A 99 99 PHE CA C 99 58.200 58.532 -0.332 1
1 1129 . 5 1 1 A 99 99 PHE CB C 99 39.500 40.051 -0.551 1
1 1133 . 5 1 1 A 99 99 PHE N N 99 120.400 122.576 -2.176 1
1 1134 . 5 1 1 A 100 100 ASP H H 100 7.320 8.257 -0.937 1
1 1135 . 5 1 1 A 100 100 ASP HA H 100 5.240 5.143 0.097 1
1 1138 . 5 1 1 A 100 100 ASP CA C 100 49.900 51.219 -1.319 1
1 1139 . 5 1 1 A 100 100 ASP CB C 100 42.200 41.620 0.580 1
1 1140 . 5 1 1 A 100 100 ASP N N 100 118.200 120.293 -2.093 1
1 1141 . 5 1 1 A 101 101 PRO HA H 101 5.040 4.525 0.515 1
1 1148 . 5 1 1 A 101 101 PRO CA C 101 64.200 64.199 0.001 1
1 1149 . 5 1 1 A 101 101 PRO CB C 101 32.800 31.800 1.000 1
1 1152 . 5 1 1 A 102 102 SER H H 102 8.950 8.122 0.828 1
1 1153 . 5 1 1 A 102 102 SER HA H 102 4.530 4.454 0.076 1
1 1156 . 5 1 1 A 102 102 SER CA C 102 59.300 59.640 -0.340 1
1 1157 . 5 1 1 A 102 102 SER CB C 102 64.500 64.298 0.202 1
1 1158 . 5 1 1 A 102 102 SER N N 102 117.700 112.650 5.050 1
1 1159 . 5 1 1 A 103 103 LEU H H 103 6.850 7.229 -0.379 1
1 1160 . 5 1 1 A 103 103 LEU HA H 103 4.200 4.255 -0.055 1
1 1170 . 5 1 1 A 103 103 LEU CA C 103 53.700 53.670 0.030 1
1 1171 . 5 1 1 A 103 103 LEU CB C 103 41.800 43.357 -1.557 1
1 1175 . 5 1 1 A 103 103 LEU N N 103 121.100 121.055 0.045 1
1 1176 . 5 1 1 A 104 104 SER H H 104 8.080 8.249 -0.169 1
1 1177 . 5 1 1 A 104 104 SER HA H 104 4.310 4.760 -0.450 1
1 1180 . 5 1 1 A 104 104 SER CA C 104 60.300 58.194 2.106 1
1 1181 . 5 1 1 A 104 104 SER CB C 104 63.300 63.752 -0.452 1
1 1182 . 5 1 1 A 104 104 SER N N 104 116.100 119.566 -3.466 1
1 1183 . 5 1 1 A 105 105 TYR H H 105 8.790 8.979 -0.189 1
1 1184 . 5 1 1 A 105 105 TYR HA H 105 4.750 5.127 -0.377 1
1 1191 . 5 1 1 A 105 105 TYR CA C 105 57.100 57.065 0.035 1
1 1192 . 5 1 1 A 105 105 TYR CB C 105 37.700 38.505 -0.805 1
1 1195 . 5 1 1 A 105 105 TYR N N 105 122.700 126.568 -3.868 1
1 1196 . 5 1 1 A 106 106 LEU H H 106 8.750 9.114 -0.364 1
1 1197 . 5 1 1 A 106 106 LEU HA H 106 5.290 4.946 0.344 1
1 1207 . 5 1 1 A 106 106 LEU CA C 106 56.000 54.048 1.952 1
1 1208 . 5 1 1 A 106 106 LEU CB C 106 43.400 43.223 0.177 1
1 1212 . 5 1 1 A 106 106 LEU N N 106 125.200 125.664 -0.464 1
1 1213 . 5 1 1 A 107 107 ILE H H 107 9.480 8.746 0.734 1
1 1214 . 5 1 1 A 107 107 ILE HA H 107 4.630 4.695 -0.065 1
1 1224 . 5 1 1 A 107 107 ILE CA C 107 59.700 59.844 -0.144 1
1 1225 . 5 1 1 A 107 107 ILE CB C 107 40.500 40.311 0.189 1
1 1229 . 5 1 1 A 107 107 ILE N N 107 123.800 123.810 -0.010 1
1 1230 . 5 1 1 A 108 108 ILE H H 108 7.820 9.088 -1.268 1
1 1231 . 5 1 1 A 108 108 ILE HA H 108 4.950 4.982 -0.032 1
1 1241 . 5 1 1 A 108 108 ILE CA C 108 58.600 59.932 -1.332 1
1 1242 . 5 1 1 A 108 108 ILE CB C 108 41.700 40.581 1.119 1
1 1246 . 5 1 1 A 108 108 ILE N N 108 125.200 129.780 -4.580 1
1 1247 . 5 1 1 A 109 109 SER H H 109 9.780 9.000 0.780 1
1 1248 . 5 1 1 A 109 109 SER HA H 109 5.430 4.987 0.443 1
1 1251 . 5 1 1 A 109 109 SER CA C 109 56.400 56.495 -0.095 1
1 1252 . 5 1 1 A 109 109 SER CB C 109 64.900 64.397 0.503 1
1 1253 . 5 1 1 A 109 109 SER N N 109 120.300 120.713 -0.413 1
1 1254 . 5 1 1 A 110 110 LEU H H 110 8.110 9.169 -1.059 1
1 1255 . 5 1 1 A 110 110 LEU HA H 110 4.630 4.555 0.075 1
1 1265 . 5 1 1 A 110 110 LEU CA C 110 53.300 55.124 -1.824 1
1 1266 . 5 1 1 A 110 110 LEU CB C 110 41.100 41.814 -0.714 1
1 1270 . 5 1 1 A 110 110 LEU N N 110 130.700 129.531 1.169 1
1 1271 . 5 1 1 A 111 111 ALA H H 111 7.390 7.890 -0.500 1
1 1272 . 5 1 1 A 111 111 ALA HA H 111 3.920 4.156 -0.236 1
1 1276 . 5 1 1 A 111 111 ALA CA C 111 55.200 54.083 1.117 1
1 1277 . 5 1 1 A 111 111 ALA CB C 111 17.900 18.529 -0.629 1
1 1278 . 5 1 1 A 111 111 ALA N N 111 121.000 122.187 -1.187 1
1 1279 . 5 1 1 A 112 112 GLU H H 112 8.290 7.842 0.448 1
1 1280 . 5 1 1 A 112 112 GLU HA H 112 4.830 4.702 0.128 1
1 1285 . 5 1 1 A 112 112 GLU CA C 112 52.600 53.545 -0.945 1
1 1286 . 5 1 1 A 112 112 GLU CB C 112 29.300 30.386 -1.086 1
1 1288 . 5 1 1 A 112 112 GLU N N 112 116.400 117.390 -0.990 1
1 1289 . 5 1 1 A 113 113 PRO HA H 113 3.940 4.460 -0.520 1
1 1296 . 5 1 1 A 113 113 PRO CA C 113 65.600 64.429 1.171 1
1 1297 . 5 1 1 A 113 113 PRO CB C 113 31.900 31.887 0.013 1
1 1300 . 5 1 1 A 114 114 GLN H H 114 8.610 8.628 -0.018 1
1 1301 . 5 1 1 A 114 114 GLN HA H 114 4.250 4.178 0.072 1
1 1308 . 5 1 1 A 114 114 GLN CA C 114 56.100 57.127 -1.027 1
1 1309 . 5 1 1 A 114 114 GLN CB C 114 28.300 29.565 -1.265 1
1 1311 . 5 1 1 A 114 114 GLN N N 114 113.500 116.835 -3.335 1
1 1313 . 5 1 1 A 115 115 LYS H H 115 8.040 7.543 0.497 1
1 1314 . 5 1 1 A 115 115 LYS HA H 115 4.620 4.748 -0.128 1
1 1323 . 5 1 1 A 115 115 LYS CA C 115 53.500 53.751 -0.251 1
1 1324 . 5 1 1 A 115 115 LYS CB C 115 33.400 33.387 0.013 1
1 1328 . 5 1 1 A 115 115 LYS N N 115 121.000 119.115 1.885 1
1 1329 . 5 1 1 A 116 116 PRO HA H 116 4.560 4.514 0.046 1
1 1336 . 5 1 1 A 116 116 PRO CA C 116 62.900 63.126 -0.226 1
1 1337 . 5 1 1 A 116 116 PRO CB C 116 32.500 31.809 0.691 1
1 1340 . 5 1 1 A 117 117 VAL H H 117 7.850 8.285 -0.435 1
1 1341 . 5 1 1 A 117 117 VAL HA H 117 4.360 4.211 0.149 1
1 1349 . 5 1 1 A 117 117 VAL CA C 117 61.200 61.922 -0.722 1
1 1350 . 5 1 1 A 117 117 VAL CB C 117 35.900 31.298 4.602 1
1 1353 . 5 1 1 A 117 117 VAL N N 117 120.600 123.416 -2.816 1
1 1354 . 5 1 1 A 118 118 CYS H H 118 8.820 9.023 -0.203 1
1 1355 . 5 1 1 A 118 118 CYS HA H 118 5.340 5.442 -0.102 1
1 1358 . 5 1 1 A 118 118 CYS CA C 118 56.400 56.664 -0.264 1
1 1359 . 5 1 1 A 118 118 CYS CB C 118 28.700 29.646 -0.946 1
1 1360 . 5 1 1 A 118 118 CYS N N 118 127.100 126.196 0.904 1
1 1361 . 5 1 1 A 119 119 LYS H H 119 8.530 8.446 0.084 1
1 1362 . 5 1 1 A 119 119 LYS HA H 119 4.590 4.847 -0.257 1
1 1371 . 5 1 1 A 119 119 LYS CA C 119 54.900 54.568 0.332 1
1 1372 . 5 1 1 A 119 119 LYS CB C 119 39.600 36.583 3.017 1
1 1376 . 5 1 1 A 119 119 LYS N N 119 126.400 124.405 1.995 1
1 1377 . 5 1 1 A 120 120 SER H H 120 8.220 8.226 -0.006 1
1 1378 . 5 1 1 A 120 120 SER HA H 120 4.870 5.017 -0.147 1
1 1381 . 5 1 1 A 120 120 SER CA C 120 56.300 56.455 -0.155 1
1 1382 . 5 1 1 A 120 120 SER CB C 120 63.300 64.456 -1.156 1
1 1383 . 5 1 1 A 120 120 SER N N 120 114.500 116.722 -2.222 1
1 1384 . 5 1 1 A 121 121 PHE H H 121 8.450 9.576 -1.126 1
1 1385 . 5 1 1 A 121 121 PHE HA H 121 5.160 5.368 -0.208 1
1 1393 . 5 1 1 A 121 121 PHE CA C 121 57.200 56.286 0.914 1
1 1394 . 5 1 1 A 121 121 PHE CB C 121 42.700 41.824 0.876 1
1 1398 . 5 1 1 A 121 121 PHE N N 121 124.400 125.983 -1.583 1
1 1399 . 5 1 1 A 122 122 LEU H H 122 9.070 9.485 -0.415 1
1 1400 . 5 1 1 A 122 122 LEU HA H 122 5.270 5.040 0.230 1
1 1410 . 5 1 1 A 122 122 LEU CA C 122 53.300 53.915 -0.615 1
1 1411 . 5 1 1 A 122 122 LEU CB C 122 42.200 42.088 0.112 1
1 1415 . 5 1 1 A 122 122 LEU N N 122 120.900 124.009 -3.109 1
1 1416 . 5 1 1 A 123 123 ILE H H 123 9.730 9.116 0.614 1
1 1417 . 5 1 1 A 123 123 ILE HA H 123 4.290 4.601 -0.311 1
1 1427 . 5 1 1 A 123 123 ILE CA C 123 61.400 60.803 0.597 1
1 1428 . 5 1 1 A 123 123 ILE CB C 123 38.000 38.058 -0.058 1
1 1432 . 5 1 1 A 123 123 ILE N N 123 125.900 125.669 0.231 1
1 1433 . 5 1 1 A 124 124 LYS H H 124 8.080 9.186 -1.106 1
1 1434 . 5 1 1 A 124 124 LYS HA H 124 4.720 4.545 0.175 1
1 1443 . 5 1 1 A 124 124 LYS CA C 124 54.100 55.551 -1.451 1
1 1444 . 5 1 1 A 124 124 LYS CB C 124 34.700 33.438 1.262 1
1 1448 . 5 1 1 A 124 124 LYS N N 124 124.600 127.664 -3.064 1
1 1449 . 5 1 1 A 125 125 LYS H H 125 8.830 8.935 -0.105 1
1 1450 . 5 1 1 A 125 125 LYS HA H 125 4.000 3.905 0.095 1
1 1459 . 5 1 1 A 125 125 LYS CA C 125 59.000 59.733 -0.733 1
1 1460 . 5 1 1 A 125 125 LYS CB C 125 31.700 32.509 -0.809 1
1 1464 . 5 1 1 A 125 125 LYS N N 125 120.900 123.698 -2.798 1
1 1465 . 5 1 1 A 126 126 ASP H H 126 8.160 8.211 -0.051 1
1 1466 . 5 1 1 A 126 126 ASP HA H 126 4.650 4.902 -0.252 1
1 1469 . 5 1 1 A 126 126 ASP CA C 126 53.100 52.890 0.210 1
1 1470 . 5 1 1 A 126 126 ASP CB C 126 40.300 40.882 -0.582 1
1 1471 . 5 1 1 A 126 126 ASP N N 126 113.200 118.424 -5.224 1
1 1472 . 5 1 1 A 127 127 GLY H H 127 7.370 8.128 -0.758 1
1 1473 . 5 1 1 A 127 127 GLY HA2 H 127 4.300 4.067 0.233 1
1 1474 . 5 1 1 A 127 127 GLY HA3 H 127 3.900 4.079 -0.179 1
1 1475 . 5 1 1 A 127 127 GLY CA C 127 45.200 45.901 -0.701 1
1 1476 . 5 1 1 A 127 127 GLY N N 127 107.600 111.466 -3.866 1
1 1477 . 5 1 1 A 128 128 VAL H H 128 8.130 8.760 -0.630 1
1 1478 . 5 1 1 A 128 128 VAL HA H 128 4.900 4.744 0.156 1
1 1486 . 5 1 1 A 128 128 VAL CA C 128 60.900 60.658 0.242 1
1 1487 . 5 1 1 A 128 128 VAL CB C 128 34.000 33.722 0.278 1
1 1490 . 5 1 1 A 128 128 VAL N N 128 118.900 123.108 -4.208 1
1 1491 . 5 1 1 A 129 129 ASP H H 129 9.250 9.099 0.151 1
1 1492 . 5 1 1 A 129 129 ASP HA H 129 5.220 5.221 -0.001 1
1 1495 . 5 1 1 A 129 129 ASP CA C 129 52.300 52.380 -0.080 1
1 1496 . 5 1 1 A 129 129 ASP CB C 129 43.600 43.016 0.584 1
1 1497 . 5 1 1 A 129 129 ASP N N 129 126.500 130.268 -3.768 1
1 1498 . 5 1 1 A 130 130 GLU H H 130 8.900 8.880 0.020 1
1 1499 . 5 1 1 A 130 130 GLU HA H 130 4.420 4.649 -0.229 1
1 1504 . 5 1 1 A 130 130 GLU CA C 130 56.400 56.229 0.171 1
1 1505 . 5 1 1 A 130 130 GLU CB C 130 29.800 30.329 -0.529 1
1 1507 . 5 1 1 A 130 130 GLU N N 130 124.000 125.609 -1.609 1
1 1508 . 5 1 1 A 131 131 GLU H H 131 8.860 9.328 -0.468 1
1 1509 . 5 1 1 A 131 131 GLU HA H 131 4.430 4.904 -0.474 1
1 1514 . 5 1 1 A 131 131 GLU CA C 131 53.500 55.021 -1.521 1
1 1515 . 5 1 1 A 131 131 GLU CB C 131 32.500 31.907 0.593 1
1 1517 . 5 1 1 A 131 131 GLU N N 131 129.200 125.565 3.635 1
1 1518 . 5 1 1 A 132 132 GLU H H 132 8.610 8.684 -0.074 1
1 1519 . 5 1 1 A 132 132 GLU HA H 132 4.050 4.571 -0.521 1
1 1524 . 5 1 1 A 132 132 GLU CA C 132 57.100 56.468 0.632 1
1 1525 . 5 1 1 A 132 132 GLU CB C 132 30.100 30.789 -0.689 1
1 1527 . 5 1 1 A 132 132 GLU N N 132 126.400 126.670 -0.270 1
1 1528 . 5 1 1 A 133 133 ILE H H 133 8.200 8.627 -0.427 1
1 1529 . 5 1 1 A 133 133 ILE HA H 133 4.740 4.356 0.384 1
1 1539 . 5 1 1 A 133 133 ILE CA C 133 60.000 59.983 0.017 1
1 1540 . 5 1 1 A 133 133 ILE CB C 133 39.300 37.576 1.724 1
1 1544 . 5 1 1 A 133 133 ILE N N 133 124.500 125.718 -1.218 1
1 1545 . 5 1 1 A 134 134 ILE H H 134 9.000 9.417 -0.417 1
1 1546 . 5 1 1 A 134 134 ILE HA H 134 4.190 4.879 -0.689 1
1 1556 . 5 1 1 A 134 134 ILE CA C 134 59.000 59.472 -0.472 1
1 1557 . 5 1 1 A 134 134 ILE CB C 134 38.300 38.332 -0.032 1
1 1561 . 5 1 1 A 134 134 ILE N N 134 130.900 129.050 1.850 1
1 1562 . 5 1 1 A 135 135 LEU H H 135 8.360 9.035 -0.675 1
1 1563 . 5 1 1 A 135 135 LEU HA H 135 5.190 5.102 0.088 1
1 1573 . 5 1 1 A 135 135 LEU CA C 135 52.700 53.967 -1.267 1
1 1574 . 5 1 1 A 135 135 LEU CB C 135 42.800 42.856 -0.056 1
1 1578 . 5 1 1 A 135 135 LEU N N 135 127.100 128.358 -1.258 1
1 1579 . 5 1 1 A 136 136 LYS H H 136 8.790 9.121 -0.331 1
1 1580 . 5 1 1 A 136 136 LYS HA H 136 4.330 4.759 -0.429 1
1 1589 . 5 1 1 A 136 136 LYS CA C 136 55.600 54.580 1.020 1
1 1590 . 5 1 1 A 136 136 LYS CB C 136 34.600 35.276 -0.676 1
1 1594 . 5 1 1 A 136 136 LYS N N 136 125.100 125.823 -0.723 1
1 1595 . 5 1 1 A 137 137 GLU H H 137 8.850 8.731 0.119 1
1 1596 . 5 1 1 A 137 137 GLU HA H 137 4.240 4.168 0.072 1
1 1601 . 5 1 1 A 137 137 GLU CA C 137 57.600 58.442 -0.842 1
1 1602 . 5 1 1 A 137 137 GLU CB C 137 29.900 30.812 -0.912 1
1 1604 . 5 1 1 A 137 137 GLU N N 137 121.100 121.522 -0.422 1
1 1605 . 5 1 1 A 138 138 GLU H H 138 8.150 7.711 0.439 1
1 1606 . 5 1 1 A 138 138 GLU HA H 138 4.370 4.598 -0.228 1
1 1611 . 5 1 1 A 138 138 GLU CA C 138 55.800 55.809 -0.009 1
1 1612 . 5 1 1 A 138 138 GLU CB C 138 30.700 33.000 -2.300 1
1 1614 . 5 1 1 A 138 138 GLU N N 138 119.300 117.595 1.705 1
1 1615 . 5 1 1 A 139 139 LEU H H 139 8.240 8.536 -0.296 1
1 1616 . 5 1 1 A 139 139 LEU HA H 139 4.180 3.924 0.256 1
1 1626 . 5 1 1 A 139 139 LEU CA C 139 55.400 55.662 -0.262 1
1 1627 . 5 1 1 A 139 139 LEU CB C 139 42.300 42.382 -0.082 1
1 1631 . 5 1 1 A 139 139 LEU N N 139 122.800 124.067 -1.267 1
1 1632 . 5 1 1 A 140 140 GLU H H 140 8.250 8.746 -0.496 1
1 1633 . 5 1 1 A 140 140 GLU HA H 140 4.150 3.785 0.365 1
1 1638 . 5 1 1 A 140 140 GLU CA C 140 56.400 57.208 -0.808 1
1 1639 . 5 1 1 A 140 140 GLU CB C 140 29.900 27.382 2.518 1
1 1641 . 5 1 1 A 140 140 GLU N N 140 120.700 123.302 -2.602 1
1 1642 . 5 1 1 A 141 141 HIS H H 141 8.400 7.285 1.115 1
1 13 . 6 1 1 A 2 2 ILE H H 2 8.780 8.941 -0.161 1
1 14 . 6 1 1 A 2 2 ILE HA H 2 5.060 4.818 0.242 1
1 24 . 6 1 1 A 2 2 ILE CA C 2 58.500 59.213 -0.713 1
1 25 . 6 1 1 A 2 2 ILE CB C 2 41.300 40.867 0.433 1
1 29 . 6 1 1 A 2 2 ILE N N 2 124.600 127.725 -3.125 1
1 30 . 6 1 1 A 3 3 THR H H 3 8.280 9.224 -0.944 1
1 31 . 6 1 1 A 3 3 THR HA H 3 5.350 5.524 -0.174 1
1 36 . 6 1 1 A 3 3 THR CA C 3 60.900 61.885 -0.985 1
1 37 . 6 1 1 A 3 3 THR CB C 3 69.900 70.500 -0.600 1
1 39 . 6 1 1 A 3 3 THR N N 3 123.200 123.918 -0.718 1
1 40 . 6 1 1 A 4 4 LEU H H 4 8.710 8.616 0.094 1
1 41 . 6 1 1 A 4 4 LEU HA H 4 5.040 5.107 -0.067 1
1 51 . 6 1 1 A 4 4 LEU CA C 4 53.800 53.386 0.414 1
1 52 . 6 1 1 A 4 4 LEU CB C 4 45.800 45.767 0.033 1
1 56 . 6 1 1 A 4 4 LEU N N 4 127.600 122.594 5.006 1
1 57 . 6 1 1 A 5 5 THR H H 5 8.440 8.410 0.030 1
1 58 . 6 1 1 A 5 5 THR HA H 5 5.040 5.040 0.000 1
1 63 . 6 1 1 A 5 5 THR CA C 5 59.300 60.301 -1.001 1
1 64 . 6 1 1 A 5 5 THR CB C 5 71.000 71.466 -0.466 1
1 66 . 6 1 1 A 5 5 THR N N 5 109.500 111.895 -2.395 1
1 67 . 6 1 1 A 6 6 LYS H H 6 8.730 8.850 -0.120 1
1 68 . 6 1 1 A 6 6 LYS HA H 6 3.810 3.937 -0.127 1
1 77 . 6 1 1 A 6 6 LYS CA C 6 60.000 60.339 -0.339 1
1 78 . 6 1 1 A 6 6 LYS CB C 6 32.000 31.985 0.015 1
1 82 . 6 1 1 A 6 6 LYS N N 6 121.500 122.451 -0.951 1
1 83 . 6 1 1 A 7 7 LYS H H 7 8.290 7.968 0.322 1
1 84 . 6 1 1 A 7 7 LYS HA H 7 3.990 3.924 0.066 1
1 93 . 6 1 1 A 7 7 LYS CA C 7 59.200 59.789 -0.589 1
1 94 . 6 1 1 A 7 7 LYS CB C 7 32.400 32.135 0.265 1
1 98 . 6 1 1 A 7 7 LYS N N 7 118.800 118.714 0.086 1
1 99 . 6 1 1 A 8 8 GLN H H 8 7.650 7.979 -0.329 1
1 100 . 6 1 1 A 8 8 GLN HA H 8 3.890 3.908 -0.018 1
1 107 . 6 1 1 A 8 8 GLN CA C 8 58.100 59.185 -1.085 1
1 108 . 6 1 1 A 8 8 GLN CB C 8 27.400 29.264 -1.864 1
1 110 . 6 1 1 A 8 8 GLN N N 8 119.800 118.463 1.337 1
1 112 . 6 1 1 A 9 9 MET H H 9 8.130 8.106 0.024 1
1 113 . 6 1 1 A 9 9 MET HA H 9 4.130 3.961 0.169 1
1 121 . 6 1 1 A 9 9 MET CA C 9 57.500 58.297 -0.797 1
1 122 . 6 1 1 A 9 9 MET CB C 9 30.900 31.893 -0.993 1
1 125 . 6 1 1 A 9 9 MET N N 9 118.300 119.664 -1.364 1
1 126 . 6 1 1 A 10 10 GLU H H 10 8.460 8.414 0.046 1
1 127 . 6 1 1 A 10 10 GLU HA H 10 3.890 3.944 -0.054 1
1 132 . 6 1 1 A 10 10 GLU CA C 10 59.100 59.455 -0.355 1
1 133 . 6 1 1 A 10 10 GLU CB C 10 28.500 29.118 -0.618 1
1 135 . 6 1 1 A 10 10 GLU N N 10 118.500 118.335 0.165 1
1 136 . 6 1 1 A 11 11 GLU H H 11 8.200 8.340 -0.140 1
1 137 . 6 1 1 A 11 11 GLU HA H 11 4.070 4.015 0.055 1
1 142 . 6 1 1 A 11 11 GLU CA C 11 59.200 59.201 -0.001 1
1 143 . 6 1 1 A 11 11 GLU CB C 11 28.900 29.085 -0.185 1
1 145 . 6 1 1 A 11 11 GLU N N 11 120.800 120.677 0.123 1
1 146 . 6 1 1 A 12 12 MET H H 12 7.780 8.076 -0.296 1
1 147 . 6 1 1 A 12 12 MET HA H 12 3.390 4.091 -0.701 1
1 155 . 6 1 1 A 12 12 MET CA C 12 60.600 58.410 2.190 1
1 156 . 6 1 1 A 12 12 MET CB C 12 33.900 33.088 0.812 1
1 159 . 6 1 1 A 12 12 MET N N 12 119.300 119.000 0.300 1
1 160 . 6 1 1 A 13 13 LEU H H 13 8.340 8.755 -0.415 1
1 161 . 6 1 1 A 13 13 LEU HA H 13 3.770 3.998 -0.228 1
1 171 . 6 1 1 A 13 13 LEU CA C 13 58.000 58.025 -0.025 1
1 172 . 6 1 1 A 13 13 LEU CB C 13 41.400 41.585 -0.185 1
1 176 . 6 1 1 A 13 13 LEU N N 13 118.600 119.647 -1.047 1
1 177 . 6 1 1 A 14 14 ALA H H 14 8.620 8.585 0.035 1
1 178 . 6 1 1 A 14 14 ALA HA H 14 4.100 4.082 0.018 1
1 182 . 6 1 1 A 14 14 ALA CA C 14 55.200 55.031 0.169 1
1 183 . 6 1 1 A 14 14 ALA CB C 14 17.800 18.272 -0.472 1
1 184 . 6 1 1 A 14 14 ALA N N 14 121.500 120.707 0.793 1
1 185 . 6 1 1 A 15 15 HIS H H 15 7.780 7.721 0.059 1
1 186 . 6 1 1 A 15 15 HIS HA H 15 4.460 4.257 0.203 1
1 190 . 6 1 1 A 15 15 HIS CA C 15 59.000 59.830 -0.830 1
1 191 . 6 1 1 A 15 15 HIS CB C 15 29.300 29.551 -0.251 1
1 193 . 6 1 1 A 15 15 HIS N N 15 116.700 117.812 -1.112 1
1 194 . 6 1 1 A 16 16 ALA H H 16 8.390 8.651 -0.261 1
1 195 . 6 1 1 A 16 16 ALA HA H 16 4.100 3.977 0.123 1
1 199 . 6 1 1 A 16 16 ALA CA C 16 54.500 55.383 -0.883 1
1 200 . 6 1 1 A 16 16 ALA CB C 16 18.200 18.300 -0.100 1
1 201 . 6 1 1 A 16 16 ALA N N 16 120.000 121.232 -1.232 1
1 202 . 6 1 1 A 17 17 ARG H H 17 8.820 8.236 0.584 1
1 203 . 6 1 1 A 17 17 ARG HA H 17 3.890 4.034 -0.144 1
1 210 . 6 1 1 A 17 17 ARG CA C 17 59.900 59.537 0.363 1
1 211 . 6 1 1 A 17 17 ARG CB C 17 30.100 29.809 0.291 1
1 214 . 6 1 1 A 17 17 ARG N N 17 118.900 117.347 1.553 1
1 215 . 6 1 1 A 18 18 GLN H H 18 8.130 7.855 0.275 1
1 216 . 6 1 1 A 18 18 GLN HA H 18 4.060 4.059 0.001 1
1 223 . 6 1 1 A 18 18 GLN CA C 18 57.900 58.726 -0.826 1
1 224 . 6 1 1 A 18 18 GLN CB C 18 28.000 28.274 -0.274 1
1 226 . 6 1 1 A 18 18 GLN N N 18 118.100 119.713 -1.613 1
1 228 . 6 1 1 A 19 19 ALA H H 19 7.090 7.227 -0.137 1
1 229 . 6 1 1 A 19 19 ALA HA H 19 4.220 4.308 -0.088 1
1 233 . 6 1 1 A 19 19 ALA CA C 19 52.300 51.498 0.802 1
1 234 . 6 1 1 A 19 19 ALA CB C 19 20.600 18.635 1.965 1
1 235 . 6 1 1 A 19 19 ALA N N 19 117.600 119.146 -1.546 1
1 236 . 6 1 1 A 20 20 LEU H H 20 7.020 6.893 0.127 1
1 237 . 6 1 1 A 20 20 LEU HA H 20 4.110 4.381 -0.271 1
1 247 . 6 1 1 A 20 20 LEU CA C 20 54.600 53.433 1.167 1
1 248 . 6 1 1 A 20 20 LEU CB C 20 40.400 41.938 -1.538 1
1 252 . 6 1 1 A 20 20 LEU N N 20 117.900 121.303 -3.403 1
1 253 . 6 1 1 A 21 21 PRO HA H 21 4.320 4.930 -0.610 1
1 260 . 6 1 1 A 21 21 PRO CA C 21 63.700 62.175 1.525 1
1 261 . 6 1 1 A 21 21 PRO CB C 21 35.000 31.505 3.495 1
1 264 . 6 1 1 A 22 22 ASN H H 22 8.690 8.723 -0.033 1
1 265 . 6 1 1 A 22 22 ASN HA H 22 4.570 5.237 -0.667 1
1 270 . 6 1 1 A 22 22 ASN CA C 22 52.400 51.558 0.842 1
1 271 . 6 1 1 A 22 22 ASN CB C 22 40.000 42.128 -2.128 1
1 272 . 6 1 1 A 22 22 ASN N N 22 122.000 122.018 -0.018 1
1 274 . 6 1 1 A 23 23 GLU H H 23 8.540 8.962 -0.422 1
1 275 . 6 1 1 A 23 23 GLU HA H 23 4.050 4.474 -0.424 1
1 280 . 6 1 1 A 23 23 GLU CA C 23 57.300 58.217 -0.917 1
1 281 . 6 1 1 A 23 23 GLU CB C 23 29.000 30.322 -1.322 1
1 283 . 6 1 1 A 23 23 GLU N N 23 116.100 121.139 -5.039 1
1 284 . 6 1 1 A 24 24 ALA H H 24 8.390 7.726 0.664 1
1 285 . 6 1 1 A 24 24 ALA HA H 24 5.040 3.938 1.102 1
1 289 . 6 1 1 A 24 24 ALA CA C 24 48.900 53.009 -4.109 1
1 290 . 6 1 1 A 24 24 ALA CB C 24 23.200 17.074 6.126 1
1 291 . 6 1 1 A 24 24 ALA N N 24 124.800 121.812 2.988 1
1 292 . 6 1 1 A 25 25 CYS H H 25 8.910 7.338 1.572 1
1 293 . 6 1 1 A 25 25 CYS HA H 25 5.000 4.313 0.687 1
1 296 . 6 1 1 A 25 25 CYS CA C 25 55.000 56.392 -1.392 1
1 297 . 6 1 1 A 25 25 CYS CB C 25 32.600 30.227 2.373 1
1 298 . 6 1 1 A 25 25 CYS N N 25 111.700 112.422 -0.722 1
1 299 . 6 1 1 A 26 26 GLY H H 26 7.110 6.996 0.114 1
1 300 . 6 1 1 A 26 26 GLY HA2 H 26 3.820 4.130 -0.310 1
1 301 . 6 1 1 A 26 26 GLY HA3 H 26 4.070 4.207 -0.137 1
1 302 . 6 1 1 A 26 26 GLY CA C 26 46.500 45.812 0.688 1
1 303 . 6 1 1 A 26 26 GLY N N 26 103.200 107.078 -3.878 1
1 304 . 6 1 1 A 27 27 LEU H H 27 8.830 8.982 -0.152 1
1 305 . 6 1 1 A 27 27 LEU HA H 27 5.200 5.382 -0.182 1
1 315 . 6 1 1 A 27 27 LEU CA C 27 53.200 53.468 -0.268 1
1 316 . 6 1 1 A 27 27 LEU CB C 27 46.600 46.037 0.563 1
1 320 . 6 1 1 A 27 27 LEU N N 27 116.700 122.623 -5.923 1
1 321 . 6 1 1 A 28 28 LEU H H 28 8.060 8.938 -0.878 1
1 322 . 6 1 1 A 28 28 LEU HA H 28 5.200 5.367 -0.167 1
1 332 . 6 1 1 A 28 28 LEU CA C 28 53.400 53.204 0.196 1
1 333 . 6 1 1 A 28 28 LEU CB C 28 44.900 45.435 -0.535 1
1 337 . 6 1 1 A 28 28 LEU N N 28 118.200 121.326 -3.126 1
1 338 . 6 1 1 A 29 29 GLY H H 29 9.210 9.329 -0.119 1
1 339 . 6 1 1 A 29 29 GLY HA2 H 29 3.750 4.389 -0.639 1
1 340 . 6 1 1 A 29 29 GLY HA3 H 29 5.800 4.452 1.348 1
1 341 . 6 1 1 A 29 29 GLY CA C 29 43.600 44.522 -0.922 1
1 342 . 6 1 1 A 29 29 GLY N N 29 109.500 111.897 -2.397 1
1 343 . 6 1 1 A 30 30 GLY H H 30 9.520 8.606 0.914 1
1 344 . 6 1 1 A 30 30 GLY HA2 H 30 3.210 3.656 -0.446 1
1 345 . 6 1 1 A 30 30 GLY HA3 H 30 4.800 4.108 0.692 1
1 346 . 6 1 1 A 30 30 GLY CA C 30 47.500 45.346 2.154 1
1 347 . 6 1 1 A 30 30 GLY N N 30 111.700 108.109 3.591 1
1 348 . 6 1 1 A 31 31 ARG H H 31 8.900 8.430 0.470 1
1 349 . 6 1 1 A 31 31 ARG HA H 31 5.170 5.230 -0.060 1
1 356 . 6 1 1 A 31 31 ARG CA C 31 54.200 54.799 -0.599 1
1 357 . 6 1 1 A 31 31 ARG CB C 31 34.200 33.135 1.065 1
1 360 . 6 1 1 A 31 31 ARG N N 31 123.000 123.163 -0.163 1
1 361 . 6 1 1 A 32 32 ARG H H 32 9.070 9.193 -0.123 1
1 362 . 6 1 1 A 32 32 ARG HA H 32 5.140 5.053 0.087 1
1 369 . 6 1 1 A 32 32 ARG CA C 32 54.700 54.627 0.073 1
1 370 . 6 1 1 A 32 32 ARG CB C 32 33.700 33.277 0.423 1
1 373 . 6 1 1 A 32 32 ARG N N 32 121.500 121.456 0.044 1
1 374 . 6 1 1 A 33 33 ASP H H 33 8.640 9.005 -0.365 1
1 375 . 6 1 1 A 33 33 ASP HA H 33 4.850 5.128 -0.278 1
1 378 . 6 1 1 A 33 33 ASP CA C 33 53.400 52.040 1.360 1
1 379 . 6 1 1 A 33 33 ASP CB C 33 42.100 43.580 -1.480 1
1 380 . 6 1 1 A 33 33 ASP N N 33 124.200 124.153 0.047 1
1 381 . 6 1 1 A 34 34 GLY H H 34 9.020 8.947 0.073 1
1 382 . 6 1 1 A 34 34 GLY HA2 H 34 3.670 3.801 -0.131 1
1 383 . 6 1 1 A 34 34 GLY HA3 H 34 4.000 3.813 0.187 1
1 384 . 6 1 1 A 34 34 GLY CA C 34 47.200 47.283 -0.083 1
1 385 . 6 1 1 A 34 34 GLY N N 34 115.900 111.063 4.837 1
1 386 . 6 1 1 A 35 35 ASP H H 35 9.070 8.460 0.610 1
1 387 . 6 1 1 A 35 35 ASP HA H 35 4.650 4.670 -0.020 1
1 390 . 6 1 1 A 35 35 ASP CA C 35 54.800 55.327 -0.527 1
1 391 . 6 1 1 A 35 35 ASP CB C 35 41.000 42.541 -1.541 1
1 392 . 6 1 1 A 35 35 ASP N N 35 127.300 118.605 8.695 1
1 393 . 6 1 1 A 36 36 ASP H H 36 8.070 7.551 0.519 1
1 394 . 6 1 1 A 36 36 ASP HA H 36 4.950 5.281 -0.331 1
1 397 . 6 1 1 A 36 36 ASP CA C 36 53.700 52.727 0.973 1
1 398 . 6 1 1 A 36 36 ASP CB C 36 41.700 44.536 -2.836 1
1 399 . 6 1 1 A 36 36 ASP N N 36 120.600 117.068 3.532 1
1 400 . 6 1 1 A 37 37 ARG H H 37 8.070 8.221 -0.151 1
1 401 . 6 1 1 A 37 37 ARG HA H 37 4.850 4.817 0.033 1
1 408 . 6 1 1 A 37 37 ARG CA C 37 55.400 54.199 1.201 1
1 409 . 6 1 1 A 37 37 ARG CB C 37 32.900 32.602 0.298 1
1 412 . 6 1 1 A 37 37 ARG N N 37 120.800 119.497 1.303 1
1 413 . 6 1 1 A 38 38 TRP H H 38 9.380 9.380 0.000 1
1 414 . 6 1 1 A 38 38 TRP HA H 38 4.840 5.232 -0.392 1
1 423 . 6 1 1 A 38 38 TRP CA C 38 57.000 55.568 1.432 1
1 424 . 6 1 1 A 38 38 TRP CB C 38 30.100 31.324 -1.224 1
1 430 . 6 1 1 A 38 38 TRP N N 38 124.900 123.400 1.500 1
1 432 . 6 1 1 A 39 39 VAL H H 39 8.450 8.929 -0.479 1
1 433 . 6 1 1 A 39 39 VAL HA H 39 3.390 4.162 -0.772 1
1 441 . 6 1 1 A 39 39 VAL CA C 39 64.500 61.979 2.521 1
1 442 . 6 1 1 A 39 39 VAL CB C 39 31.500 32.164 -0.664 1
1 445 . 6 1 1 A 39 39 VAL N N 39 124.400 125.245 -0.845 1
1 446 . 6 1 1 A 40 40 GLU H H 40 9.080 8.417 0.663 1
1 447 . 6 1 1 A 40 40 GLU HA H 40 4.350 4.487 -0.137 1
1 452 . 6 1 1 A 40 40 GLU CA C 40 54.900 56.093 -1.193 1
1 453 . 6 1 1 A 40 40 GLU CB C 40 29.500 31.306 -1.806 1
1 455 . 6 1 1 A 40 40 GLU N N 40 124.200 122.784 1.416 1
1 456 . 6 1 1 A 41 41 ARG H H 41 7.610 7.324 0.286 1
1 457 . 6 1 1 A 41 41 ARG HA H 41 4.070 4.746 -0.676 1
1 464 . 6 1 1 A 41 41 ARG CA C 41 56.800 54.319 2.481 1
1 465 . 6 1 1 A 41 41 ARG CB C 41 33.600 32.855 0.745 1
1 468 . 6 1 1 A 41 41 ARG N N 41 120.000 120.339 -0.339 1
1 469 . 6 1 1 A 42 42 VAL H H 42 8.460 8.692 -0.232 1
1 470 . 6 1 1 A 42 42 VAL HA H 42 4.300 4.602 -0.302 1
1 478 . 6 1 1 A 42 42 VAL CA C 42 60.900 61.024 -0.124 1
1 479 . 6 1 1 A 42 42 VAL CB C 42 32.900 33.665 -0.765 1
1 482 . 6 1 1 A 42 42 VAL N N 42 125.600 125.599 0.001 1
1 483 . 6 1 1 A 43 43 TYR H H 43 9.070 8.864 0.206 1
1 484 . 6 1 1 A 43 43 TYR HA H 43 4.930 5.300 -0.370 1
1 491 . 6 1 1 A 43 43 TYR CA C 43 54.600 54.960 -0.360 1
1 492 . 6 1 1 A 43 43 TYR CB C 43 38.500 38.953 -0.453 1
1 495 . 6 1 1 A 43 43 TYR N N 43 124.800 125.947 -1.147 1
1 496 . 6 1 1 A 44 44 PRO HA H 44 4.260 4.726 -0.466 1
1 503 . 6 1 1 A 44 44 PRO CA C 44 63.200 62.325 0.875 1
1 504 . 6 1 1 A 44 44 PRO CB C 44 30.100 31.552 -1.452 1
1 507 . 6 1 1 A 45 45 LEU H H 45 8.270 8.603 -0.333 1
1 508 . 6 1 1 A 45 45 LEU HA H 45 4.930 5.009 -0.079 1
1 518 . 6 1 1 A 45 45 LEU CA C 45 53.800 53.325 0.475 1
1 519 . 6 1 1 A 45 45 LEU CB C 45 45.600 44.301 1.299 1
1 523 . 6 1 1 A 45 45 LEU N N 45 125.800 124.223 1.577 1
1 524 . 6 1 1 A 46 46 ASN H H 46 9.120 8.844 0.276 1
1 525 . 6 1 1 A 46 46 ASN HA H 46 4.630 5.505 -0.875 1
1 530 . 6 1 1 A 46 46 ASN CA C 46 56.000 51.842 4.158 1
1 531 . 6 1 1 A 46 46 ASN CB C 46 39.000 42.366 -3.366 1
1 532 . 6 1 1 A 46 46 ASN N N 46 119.000 118.715 0.285 1
1 534 . 6 1 1 A 47 47 ASN H H 47 8.460 9.057 -0.597 1
1 535 . 6 1 1 A 47 47 ASN HA H 47 5.260 5.209 0.051 1
1 540 . 6 1 1 A 47 47 ASN CA C 47 51.200 53.528 -2.328 1
1 541 . 6 1 1 A 47 47 ASN CB C 47 37.700 38.023 -0.323 1
1 542 . 6 1 1 A 47 47 ASN N N 47 118.500 122.355 -3.855 1
1 544 . 6 1 1 A 48 48 LEU H H 48 8.890 8.623 0.267 1
1 545 . 6 1 1 A 48 48 LEU HA H 48 4.070 4.069 0.001 1
1 555 . 6 1 1 A 48 48 LEU CA C 48 56.800 57.678 -0.878 1
1 556 . 6 1 1 A 48 48 LEU CB C 48 41.600 41.397 0.203 1
1 560 . 6 1 1 A 48 48 LEU N N 48 127.100 126.810 0.290 1
1 561 . 6 1 1 A 49 49 ASP H H 49 7.820 7.963 -0.143 1
1 562 . 6 1 1 A 49 49 ASP HA H 49 4.430 4.601 -0.171 1
1 565 . 6 1 1 A 49 49 ASP CA C 49 54.500 55.089 -0.589 1
1 566 . 6 1 1 A 49 49 ASP CB C 49 40.100 41.029 -0.929 1
1 567 . 6 1 1 A 49 49 ASP N N 49 115.700 119.326 -3.626 1
1 568 . 6 1 1 A 50 50 GLN H H 50 7.770 8.003 -0.233 1
1 569 . 6 1 1 A 50 50 GLN HA H 50 3.880 3.945 -0.065 1
1 576 . 6 1 1 A 50 50 GLN CA C 50 56.000 57.375 -1.375 1
1 577 . 6 1 1 A 50 50 GLN CB C 50 27.400 28.423 -1.023 1
1 579 . 6 1 1 A 50 50 GLN N N 50 115.300 118.956 -3.656 1
1 581 . 6 1 1 A 51 51 SER H H 51 6.370 7.905 -1.535 1
1 582 . 6 1 1 A 51 51 SER HA H 51 5.210 4.853 0.357 1
1 585 . 6 1 1 A 51 51 SER CA C 51 53.700 55.793 -2.093 1
1 586 . 6 1 1 A 51 51 SER CB C 51 66.100 64.115 1.985 1
1 587 . 6 1 1 A 51 51 SER N N 51 109.000 115.449 -6.449 1
1 588 . 6 1 1 A 52 52 PRO HA H 52 4.830 4.549 0.281 1
1 595 . 6 1 1 A 52 52 PRO CA C 52 64.000 64.513 -0.513 1
1 596 . 6 1 1 A 52 52 PRO CB C 52 33.300 32.068 1.232 1
1 599 . 6 1 1 A 53 53 GLU H H 53 8.320 8.429 -0.109 1
1 600 . 6 1 1 A 53 53 GLU HA H 53 4.510 4.647 -0.137 1
1 605 . 6 1 1 A 53 53 GLU CA C 53 55.700 56.536 -0.836 1
1 606 . 6 1 1 A 53 53 GLU CB C 53 32.400 30.928 1.472 1
1 608 . 6 1 1 A 53 53 GLU N N 53 113.900 116.508 -2.608 1
1 609 . 6 1 1 A 54 54 HIS H H 54 7.070 7.747 -0.677 1
1 610 . 6 1 1 A 54 54 HIS HA H 54 4.750 5.372 -0.622 1
1 614 . 6 1 1 A 54 54 HIS CA C 54 54.100 54.267 -0.167 1
1 615 . 6 1 1 A 54 54 HIS CB C 54 31.100 33.718 -2.618 1
1 617 . 6 1 1 A 54 54 HIS N N 54 112.500 118.185 -5.685 1
1 618 . 6 1 1 A 55 55 PHE H H 55 7.900 8.790 -0.890 1
1 619 . 6 1 1 A 55 55 PHE HA H 55 5.580 4.947 0.633 1
1 627 . 6 1 1 A 55 55 PHE CA C 55 55.400 58.130 -2.730 1
1 628 . 6 1 1 A 55 55 PHE CB C 55 41.200 41.370 -0.170 1
1 632 . 6 1 1 A 55 55 PHE N N 55 114.900 123.420 -8.520 1
1 633 . 6 1 1 A 56 56 SER H H 56 7.690 9.381 -1.691 1
1 634 . 6 1 1 A 56 56 SER HA H 56 4.300 4.411 -0.111 1
1 637 . 6 1 1 A 56 56 SER CA C 56 57.800 57.791 0.009 1
1 638 . 6 1 1 A 56 56 SER CB C 56 65.300 63.661 1.639 1
1 639 . 6 1 1 A 56 56 SER N N 56 112.900 123.183 -10.283 1
1 640 . 6 1 1 A 57 57 MET H H 57 8.750 7.003 1.747 1
1 641 . 6 1 1 A 57 57 MET HA H 57 4.860 3.549 1.311 1
1 649 . 6 1 1 A 57 57 MET CA C 57 54.400 55.237 -0.837 1
1 650 . 6 1 1 A 57 57 MET CB C 57 36.000 31.803 4.197 1
1 653 . 6 1 1 A 57 57 MET N N 57 120.000 119.820 0.180 1
1 654 . 6 1 1 A 58 58 ASP H H 58 10.180 8.347 1.833 1
1 655 . 6 1 1 A 58 58 ASP HA H 58 4.740 4.970 -0.230 1
1 658 . 6 1 1 A 58 58 ASP CA C 58 51.700 50.542 1.158 1
1 659 . 6 1 1 A 58 58 ASP CB C 58 42.700 43.753 -1.053 1
1 660 . 6 1 1 A 58 58 ASP N N 58 126.600 121.014 5.586 1
1 661 . 6 1 1 A 59 59 PRO HA H 59 4.400 4.580 -0.180 1
1 668 . 6 1 1 A 59 59 PRO CA C 59 65.300 64.786 0.514 1
1 669 . 6 1 1 A 59 59 PRO CB C 59 32.300 32.065 0.235 1
1 672 . 6 1 1 A 60 60 ARG H H 60 8.520 8.219 0.301 1
1 673 . 6 1 1 A 60 60 ARG HA H 60 4.120 4.011 0.109 1
1 680 . 6 1 1 A 60 60 ARG CA C 60 59.200 59.365 -0.165 1
1 681 . 6 1 1 A 60 60 ARG CB C 60 29.500 29.835 -0.335 1
1 684 . 6 1 1 A 60 60 ARG N N 60 118.700 119.054 -0.354 1
1 685 . 6 1 1 A 61 61 GLU H H 61 7.730 8.208 -0.478 1
1 686 . 6 1 1 A 61 61 GLU HA H 61 4.190 4.137 0.053 1
1 691 . 6 1 1 A 61 61 GLU CA C 61 59.000 59.049 -0.049 1
1 692 . 6 1 1 A 61 61 GLU CB C 61 30.200 29.422 0.778 1
1 694 . 6 1 1 A 61 61 GLU N N 61 119.800 119.581 0.219 1
1 695 . 6 1 1 A 62 62 GLN H H 62 8.220 7.670 0.550 1
1 696 . 6 1 1 A 62 62 GLN HA H 62 3.830 3.872 -0.042 1
1 703 . 6 1 1 A 62 62 GLN CA C 62 59.900 58.912 0.988 1
1 704 . 6 1 1 A 62 62 GLN CB C 62 29.000 28.037 0.963 1
1 706 . 6 1 1 A 62 62 GLN N N 62 118.700 119.092 -0.392 1
1 708 . 6 1 1 A 63 63 LEU H H 63 7.950 8.016 -0.066 1
1 709 . 6 1 1 A 63 63 LEU HA H 63 4.110 4.040 0.070 1
1 719 . 6 1 1 A 63 63 LEU CA C 63 58.000 58.062 -0.062 1
1 720 . 6 1 1 A 63 63 LEU CB C 63 41.400 41.556 -0.156 1
1 724 . 6 1 1 A 63 63 LEU N N 63 119.200 122.284 -3.084 1
1 725 . 6 1 1 A 64 64 THR H H 64 7.910 7.690 0.220 1
1 726 . 6 1 1 A 64 64 THR HA H 64 3.790 3.867 -0.077 1
1 731 . 6 1 1 A 64 64 THR CA C 64 66.800 66.375 0.425 1
1 732 . 6 1 1 A 64 64 THR CB C 64 68.700 68.505 0.195 1
1 734 . 6 1 1 A 64 64 THR N N 64 116.000 114.569 1.431 1
1 735 . 6 1 1 A 65 65 ALA H H 65 7.520 7.668 -0.148 1
1 736 . 6 1 1 A 65 65 ALA HA H 65 3.970 3.966 0.004 1
1 740 . 6 1 1 A 65 65 ALA CA C 65 55.100 54.950 0.150 1
1 741 . 6 1 1 A 65 65 ALA CB C 65 17.900 17.750 0.150 1
1 742 . 6 1 1 A 65 65 ALA N N 65 125.200 123.622 1.578 1
1 743 . 6 1 1 A 66 66 VAL H H 66 8.420 8.128 0.292 1
1 744 . 6 1 1 A 66 66 VAL HA H 66 3.840 3.381 0.459 1
1 752 . 6 1 1 A 66 66 VAL CA C 66 66.200 66.863 -0.663 1
1 753 . 6 1 1 A 66 66 VAL CB C 66 31.700 31.389 0.311 1
1 756 . 6 1 1 A 66 66 VAL N N 66 119.300 118.410 0.890 1
1 757 . 6 1 1 A 67 67 LYS H H 67 8.570 7.804 0.766 1
1 758 . 6 1 1 A 67 67 LYS HA H 67 3.960 3.976 -0.016 1
1 767 . 6 1 1 A 67 67 LYS CA C 67 60.300 59.419 0.881 1
1 768 . 6 1 1 A 67 67 LYS CB C 67 32.200 32.109 0.091 1
1 772 . 6 1 1 A 67 67 LYS N N 67 120.600 120.299 0.301 1
1 773 . 6 1 1 A 68 68 ASP H H 68 7.660 8.322 -0.662 1
1 774 . 6 1 1 A 68 68 ASP HA H 68 4.290 4.367 -0.077 1
1 777 . 6 1 1 A 68 68 ASP CA C 68 58.300 57.987 0.313 1
1 778 . 6 1 1 A 68 68 ASP CB C 68 42.700 41.768 0.932 1
1 779 . 6 1 1 A 68 68 ASP N N 68 121.500 119.731 1.769 1
1 780 . 6 1 1 A 69 69 MET H H 69 8.620 8.600 0.020 1
1 781 . 6 1 1 A 69 69 MET HA H 69 4.250 4.262 -0.012 1
1 789 . 6 1 1 A 69 69 MET CA C 69 60.300 58.708 1.592 1
1 790 . 6 1 1 A 69 69 MET CB C 69 32.700 32.067 0.633 1
1 793 . 6 1 1 A 69 69 MET N N 69 120.100 119.018 1.082 1
1 794 . 6 1 1 A 70 70 ARG H H 70 8.500 8.406 0.094 1
1 795 . 6 1 1 A 70 70 ARG HA H 70 4.110 4.135 -0.025 1
1 802 . 6 1 1 A 70 70 ARG CA C 70 59.200 58.930 0.270 1
1 803 . 6 1 1 A 70 70 ARG CB C 70 29.600 29.430 0.170 1
1 806 . 6 1 1 A 70 70 ARG N N 70 119.000 120.262 -1.262 1
1 807 . 6 1 1 A 71 71 LYS H H 71 8.020 8.089 -0.069 1
1 808 . 6 1 1 A 71 71 LYS HA H 71 3.970 4.076 -0.106 1
1 817 . 6 1 1 A 71 71 LYS CA C 71 58.800 59.316 -0.516 1
1 818 . 6 1 1 A 71 71 LYS CB C 71 32.000 32.226 -0.226 1
1 822 . 6 1 1 A 71 71 LYS N N 71 121.100 119.603 1.497 1
1 823 . 6 1 1 A 72 72 ASN H H 72 6.960 7.971 -1.011 1
1 824 . 6 1 1 A 72 72 ASN HA H 72 4.090 4.746 -0.656 1
1 829 . 6 1 1 A 72 72 ASN CA C 72 53.300 53.146 0.154 1
1 830 . 6 1 1 A 72 72 ASN CB C 72 39.000 39.551 -0.551 1
1 831 . 6 1 1 A 72 72 ASN N N 72 114.600 114.117 0.483 1
1 833 . 6 1 1 A 73 73 GLY H H 73 7.560 8.227 -0.667 1
1 834 . 6 1 1 A 73 73 GLY HA2 H 73 3.890 3.697 0.193 1
1 835 . 6 1 1 A 73 73 GLY HA3 H 73 3.760 3.838 -0.078 1
1 836 . 6 1 1 A 73 73 GLY CA C 73 45.900 45.790 0.110 1
1 837 . 6 1 1 A 73 73 GLY N N 73 106.700 107.324 -0.624 1
1 838 . 6 1 1 A 74 74 TRP H H 74 8.240 8.081 0.159 1
1 839 . 6 1 1 A 74 74 TRP HA H 74 5.260 5.119 0.141 1
1 848 . 6 1 1 A 74 74 TRP CA C 74 53.100 56.382 -3.282 1
1 849 . 6 1 1 A 74 74 TRP CB C 74 31.400 33.925 -2.525 1
1 855 . 6 1 1 A 74 74 TRP N N 74 120.700 119.669 1.031 1
1 857 . 6 1 1 A 75 75 VAL H H 75 9.410 9.284 0.126 1
1 858 . 6 1 1 A 75 75 VAL HA H 75 4.800 4.930 -0.130 1
1 866 . 6 1 1 A 75 75 VAL CA C 75 58.500 59.158 -0.658 1
1 867 . 6 1 1 A 75 75 VAL CB C 75 35.500 35.658 -0.158 1
1 870 . 6 1 1 A 75 75 VAL N N 75 112.100 116.662 -4.562 1
1 871 . 6 1 1 A 76 76 MET H H 76 8.800 8.685 0.115 1
1 872 . 6 1 1 A 76 76 MET HA H 76 4.650 4.715 -0.065 1
1 880 . 6 1 1 A 76 76 MET CA C 76 56.900 55.242 1.658 1
1 881 . 6 1 1 A 76 76 MET CB C 76 32.600 33.193 -0.593 1
1 884 . 6 1 1 A 76 76 MET N N 76 122.400 122.979 -0.579 1
1 885 . 6 1 1 A 77 77 LEU H H 77 8.780 9.147 -0.367 1
1 886 . 6 1 1 A 77 77 LEU HA H 77 4.480 4.481 -0.001 1
1 896 . 6 1 1 A 77 77 LEU CA C 77 54.100 56.018 -1.918 1
1 897 . 6 1 1 A 77 77 LEU CB C 77 44.700 42.925 1.775 1
1 901 . 6 1 1 A 77 77 LEU N N 77 125.600 127.740 -2.140 1
1 902 . 6 1 1 A 78 78 GLY H H 78 7.590 7.083 0.507 1
1 903 . 6 1 1 A 78 78 GLY HA2 H 78 5.150 4.067 1.083 1
1 904 . 6 1 1 A 78 78 GLY HA3 H 78 3.660 4.077 -0.417 1
1 905 . 6 1 1 A 78 78 GLY CA C 78 45.700 45.359 0.341 1
1 906 . 6 1 1 A 78 78 GLY N N 78 102.900 104.921 -2.021 1
1 907 . 6 1 1 A 79 79 ASN H H 79 8.520 8.160 0.360 1
1 908 . 6 1 1 A 79 79 ASN HA H 79 5.230 5.721 -0.491 1
1 913 . 6 1 1 A 79 79 ASN CA C 79 51.100 51.730 -0.630 1
1 914 . 6 1 1 A 79 79 ASN CB C 79 41.500 42.719 -1.219 1
1 915 . 6 1 1 A 79 79 ASN N N 79 115.600 118.020 -2.420 1
1 917 . 6 1 1 A 80 80 PHE H H 80 8.410 8.317 0.093 1
1 918 . 6 1 1 A 80 80 PHE HA H 80 6.120 5.902 0.218 1
1 926 . 6 1 1 A 80 80 PHE CA C 80 54.500 55.305 -0.805 1
1 927 . 6 1 1 A 80 80 PHE CB C 80 44.800 42.747 2.053 1
1 931 . 6 1 1 A 80 80 PHE N N 80 113.100 116.539 -3.439 1
1 932 . 6 1 1 A 81 81 HIS H H 81 8.310 9.820 -1.510 1
1 933 . 6 1 1 A 81 81 HIS HA H 81 5.300 5.206 0.094 1
1 938 . 6 1 1 A 81 81 HIS CA C 81 54.400 54.235 0.165 1
1 939 . 6 1 1 A 81 81 HIS CB C 81 30.300 34.034 -3.734 1
1 942 . 6 1 1 A 81 81 HIS N N 81 111.600 118.589 -6.989 1
1 943 . 6 1 1 A 82 82 SER H H 82 8.390 8.388 0.002 1
1 944 . 6 1 1 A 82 82 SER HA H 82 5.510 5.383 0.127 1
1 947 . 6 1 1 A 82 82 SER CA C 82 54.800 57.399 -2.599 1
1 948 . 6 1 1 A 82 82 SER CB C 82 66.700 66.342 0.358 1
1 949 . 6 1 1 A 82 82 SER N N 82 112.700 114.809 -2.109 1
1 950 . 6 1 1 A 83 83 HIS H H 83 8.890 8.759 0.131 1
1 951 . 6 1 1 A 83 83 HIS HA H 83 5.480 4.847 0.633 1
1 956 . 6 1 1 A 83 83 HIS CA C 83 49.900 54.417 -4.517 1
1 957 . 6 1 1 A 83 83 HIS CB C 83 32.000 30.905 1.095 1
1 960 . 6 1 1 A 83 83 HIS N N 83 115.200 123.393 -8.193 1
1 961 . 6 1 1 A 84 84 PRO HA H 84 3.940 4.503 -0.563 1
1 968 . 6 1 1 A 84 84 PRO CA C 84 65.600 64.759 0.841 1
1 969 . 6 1 1 A 84 84 PRO CB C 84 33.300 32.164 1.136 1
1 972 . 6 1 1 A 85 85 ALA H H 85 8.410 8.092 0.318 1
1 973 . 6 1 1 A 85 85 ALA HA H 85 4.670 4.562 0.108 1
1 977 . 6 1 1 A 85 85 ALA CA C 85 51.300 51.642 -0.342 1
1 978 . 6 1 1 A 85 85 ALA CB C 85 21.200 19.939 1.261 1
1 979 . 6 1 1 A 85 85 ALA N N 85 112.800 119.614 -6.814 1
1 980 . 6 1 1 A 86 86 THR H H 86 7.070 7.557 -0.487 1
1 981 . 6 1 1 A 86 86 THR HA H 86 4.960 5.072 -0.112 1
1 986 . 6 1 1 A 86 86 THR CA C 86 58.600 58.506 0.094 1
1 987 . 6 1 1 A 86 86 THR CB C 86 69.500 70.580 -1.080 1
1 989 . 6 1 1 A 86 86 THR N N 86 109.200 108.613 0.587 1
1 990 . 6 1 1 A 87 87 PRO HA H 87 4.630 4.672 -0.042 1
1 997 . 6 1 1 A 87 87 PRO CA C 87 62.700 62.448 0.252 1
1 998 . 6 1 1 A 87 87 PRO CB C 87 33.500 33.222 0.278 1
1 1001 . 6 1 1 A 88 88 ALA H H 88 9.760 8.437 1.323 1
1 1002 . 6 1 1 A 88 88 ALA HA H 88 3.960 4.552 -0.592 1
1 1006 . 6 1 1 A 88 88 ALA CA C 88 51.700 51.667 0.033 1
1 1007 . 6 1 1 A 88 88 ALA CB C 88 16.300 18.085 -1.785 1
1 1008 . 6 1 1 A 88 88 ALA N N 88 127.600 123.451 4.149 1
1 1009 . 6 1 1 A 89 89 ARG H H 89 7.570 7.921 -0.351 1
1 1010 . 6 1 1 A 89 89 ARG HA H 89 4.280 4.131 0.149 1
1 1017 . 6 1 1 A 89 89 ARG CA C 89 53.200 53.754 -0.554 1
1 1018 . 6 1 1 A 89 89 ARG CB C 89 31.300 33.433 -2.133 1
1 1021 . 6 1 1 A 89 89 ARG N N 89 118.300 122.676 -4.376 1
1 1022 . 6 1 1 A 90 90 PRO HA H 90 4.510 4.716 -0.206 1
1 1029 . 6 1 1 A 90 90 PRO CA C 90 62.900 62.284 0.616 1
1 1030 . 6 1 1 A 90 90 PRO CB C 90 31.300 31.667 -0.367 1
1 1033 . 6 1 1 A 91 91 SER H H 91 9.630 8.352 1.278 1
1 1034 . 6 1 1 A 91 91 SER HA H 91 4.600 4.564 0.036 1
1 1037 . 6 1 1 A 91 91 SER CA C 91 56.500 57.986 -1.486 1
1 1038 . 6 1 1 A 91 91 SER CB C 91 66.000 64.335 1.665 1
1 1039 . 6 1 1 A 91 91 SER N N 91 122.500 118.068 4.432 1
1 1040 . 6 1 1 A 92 92 ALA H H 92 8.910 8.900 0.010 1
1 1041 . 6 1 1 A 92 92 ALA HA H 92 3.980 3.982 -0.002 1
1 1045 . 6 1 1 A 92 92 ALA CA C 92 55.900 55.309 0.591 1
1 1046 . 6 1 1 A 92 92 ALA CB C 92 17.800 18.113 -0.313 1
1 1047 . 6 1 1 A 92 92 ALA N N 92 123.000 124.510 -1.510 1
1 1048 . 6 1 1 A 93 93 GLU H H 93 8.370 8.170 0.200 1
1 1049 . 6 1 1 A 93 93 GLU HA H 93 4.070 4.025 0.045 1
1 1054 . 6 1 1 A 93 93 GLU CA C 93 58.900 59.427 -0.527 1
1 1055 . 6 1 1 A 93 93 GLU CB C 93 28.800 29.138 -0.338 1
1 1057 . 6 1 1 A 93 93 GLU N N 93 118.800 116.516 2.284 1
1 1058 . 6 1 1 A 94 94 ASP H H 94 7.770 8.124 -0.354 1
1 1059 . 6 1 1 A 94 94 ASP HA H 94 4.260 4.459 -0.199 1
1 1062 . 6 1 1 A 94 94 ASP CA C 94 57.100 56.957 0.143 1
1 1063 . 6 1 1 A 94 94 ASP CB C 94 40.200 40.197 0.003 1
1 1064 . 6 1 1 A 94 94 ASP N N 94 119.200 120.407 -1.207 1
1 1065 . 6 1 1 A 95 95 LYS H H 95 7.830 7.897 -0.067 1
1 1066 . 6 1 1 A 95 95 LYS HA H 95 3.720 3.772 -0.052 1
1 1075 . 6 1 1 A 95 95 LYS CA C 95 59.500 58.984 0.516 1
1 1076 . 6 1 1 A 95 95 LYS CB C 95 31.900 31.798 0.102 1
1 1080 . 6 1 1 A 95 95 LYS N N 95 116.400 120.917 -4.517 1
1 1081 . 6 1 1 A 96 96 ARG H H 96 7.570 7.379 0.191 1
1 1082 . 6 1 1 A 96 96 ARG HA H 96 3.940 3.970 -0.030 1
1 1089 . 6 1 1 A 96 96 ARG CA C 96 58.500 58.587 -0.087 1
1 1090 . 6 1 1 A 96 96 ARG CB C 96 30.100 29.983 0.117 1
1 1093 . 6 1 1 A 96 96 ARG N N 96 119.400 118.586 0.814 1
1 1094 . 6 1 1 A 97 97 LEU H H 97 7.270 7.304 -0.034 1
1 1095 . 6 1 1 A 97 97 LEU HA H 97 4.030 4.018 0.012 1
1 1105 . 6 1 1 A 97 97 LEU CA C 97 54.400 54.183 0.217 1
1 1106 . 6 1 1 A 97 97 LEU CB C 97 41.600 41.233 0.367 1
1 1110 . 6 1 1 A 97 97 LEU N N 97 116.100 116.926 -0.826 1
1 1111 . 6 1 1 A 98 98 ALA H H 98 6.950 6.996 -0.046 1
1 1112 . 6 1 1 A 98 98 ALA HA H 98 4.230 4.461 -0.231 1
1 1116 . 6 1 1 A 98 98 ALA CA C 98 50.800 51.131 -0.331 1
1 1117 . 6 1 1 A 98 98 ALA CB C 98 16.700 17.718 -1.018 1
1 1118 . 6 1 1 A 98 98 ALA N N 98 124.800 123.864 0.936 1
1 1119 . 6 1 1 A 99 99 PHE H H 99 7.630 8.195 -0.565 1
1 1120 . 6 1 1 A 99 99 PHE HA H 99 4.490 4.647 -0.157 1
1 1128 . 6 1 1 A 99 99 PHE CA C 99 58.200 58.771 -0.571 1
1 1129 . 6 1 1 A 99 99 PHE CB C 99 39.500 39.300 0.200 1
1 1133 . 6 1 1 A 99 99 PHE N N 99 120.400 121.922 -1.522 1
1 1134 . 6 1 1 A 100 100 ASP H H 100 7.320 7.857 -0.537 1
1 1135 . 6 1 1 A 100 100 ASP HA H 100 5.240 4.840 0.400 1
1 1138 . 6 1 1 A 100 100 ASP CA C 100 49.900 52.869 -2.969 1
1 1139 . 6 1 1 A 100 100 ASP CB C 100 42.200 40.129 2.071 1
1 1140 . 6 1 1 A 100 100 ASP N N 100 118.200 121.105 -2.905 1
1 1141 . 6 1 1 A 101 101 PRO HA H 101 5.040 4.477 0.563 1
1 1148 . 6 1 1 A 101 101 PRO CA C 101 64.200 65.214 -1.014 1
1 1149 . 6 1 1 A 101 101 PRO CB C 101 32.800 31.752 1.048 1
1 1152 . 6 1 1 A 102 102 SER H H 102 8.950 8.091 0.859 1
1 1153 . 6 1 1 A 102 102 SER HA H 102 4.530 4.780 -0.250 1
1 1156 . 6 1 1 A 102 102 SER CA C 102 59.300 57.546 1.754 1
1 1157 . 6 1 1 A 102 102 SER CB C 102 64.500 64.422 0.078 1
1 1158 . 6 1 1 A 102 102 SER N N 102 117.700 111.930 5.770 1
1 1159 . 6 1 1 A 103 103 LEU H H 103 6.850 7.325 -0.475 1
1 1160 . 6 1 1 A 103 103 LEU HA H 103 4.200 4.298 -0.098 1
1 1170 . 6 1 1 A 103 103 LEU CA C 103 53.700 54.498 -0.798 1
1 1171 . 6 1 1 A 103 103 LEU CB C 103 41.800 41.806 -0.006 1
1 1175 . 6 1 1 A 103 103 LEU N N 103 121.100 123.666 -2.566 1
1 1176 . 6 1 1 A 104 104 SER H H 104 8.080 8.147 -0.067 1
1 1177 . 6 1 1 A 104 104 SER HA H 104 4.310 4.759 -0.449 1
1 1180 . 6 1 1 A 104 104 SER CA C 104 60.300 58.548 1.752 1
1 1181 . 6 1 1 A 104 104 SER CB C 104 63.300 63.770 -0.470 1
1 1182 . 6 1 1 A 104 104 SER N N 104 116.100 117.836 -1.736 1
1 1183 . 6 1 1 A 105 105 TYR H H 105 8.790 9.197 -0.407 1
1 1184 . 6 1 1 A 105 105 TYR HA H 105 4.750 4.918 -0.168 1
1 1191 . 6 1 1 A 105 105 TYR CA C 105 57.100 57.074 0.026 1
1 1192 . 6 1 1 A 105 105 TYR CB C 105 37.700 37.501 0.199 1
1 1195 . 6 1 1 A 105 105 TYR N N 105 122.700 126.431 -3.731 1
1 1196 . 6 1 1 A 106 106 LEU H H 106 8.750 8.590 0.160 1
1 1197 . 6 1 1 A 106 106 LEU HA H 106 5.290 4.774 0.516 1
1 1207 . 6 1 1 A 106 106 LEU CA C 106 56.000 54.842 1.158 1
1 1208 . 6 1 1 A 106 106 LEU CB C 106 43.400 42.419 0.981 1
1 1212 . 6 1 1 A 106 106 LEU N N 106 125.200 125.986 -0.786 1
1 1213 . 6 1 1 A 107 107 ILE H H 107 9.480 9.213 0.267 1
1 1214 . 6 1 1 A 107 107 ILE HA H 107 4.630 4.979 -0.349 1
1 1224 . 6 1 1 A 107 107 ILE CA C 107 59.700 60.214 -0.514 1
1 1225 . 6 1 1 A 107 107 ILE CB C 107 40.500 40.524 -0.024 1
1 1229 . 6 1 1 A 107 107 ILE N N 107 123.800 124.695 -0.895 1
1 1230 . 6 1 1 A 108 108 ILE H H 108 7.820 9.584 -1.764 1
1 1231 . 6 1 1 A 108 108 ILE HA H 108 4.950 5.155 -0.205 1
1 1241 . 6 1 1 A 108 108 ILE CA C 108 58.600 59.940 -1.340 1
1 1242 . 6 1 1 A 108 108 ILE CB C 108 41.700 40.301 1.399 1
1 1246 . 6 1 1 A 108 108 ILE N N 108 125.200 129.965 -4.765 1
1 1247 . 6 1 1 A 109 109 SER H H 109 9.780 8.982 0.798 1
1 1248 . 6 1 1 A 109 109 SER HA H 109 5.430 4.810 0.620 1
1 1251 . 6 1 1 A 109 109 SER CA C 109 56.400 56.478 -0.078 1
1 1252 . 6 1 1 A 109 109 SER CB C 109 64.900 63.816 1.084 1
1 1253 . 6 1 1 A 109 109 SER N N 109 120.300 121.594 -1.294 1
1 1254 . 6 1 1 A 110 110 LEU H H 110 8.110 8.807 -0.697 1
1 1255 . 6 1 1 A 110 110 LEU HA H 110 4.630 4.716 -0.086 1
1 1265 . 6 1 1 A 110 110 LEU CA C 110 53.300 54.502 -1.202 1
1 1266 . 6 1 1 A 110 110 LEU CB C 110 41.100 41.906 -0.806 1
1 1270 . 6 1 1 A 110 110 LEU N N 110 130.700 129.743 0.957 1
1 1271 . 6 1 1 A 111 111 ALA H H 111 7.390 8.147 -0.757 1
1 1272 . 6 1 1 A 111 111 ALA HA H 111 3.920 4.263 -0.343 1
1 1276 . 6 1 1 A 111 111 ALA CA C 111 55.200 54.281 0.919 1
1 1277 . 6 1 1 A 111 111 ALA CB C 111 17.900 19.288 -1.388 1
1 1278 . 6 1 1 A 111 111 ALA N N 111 121.000 123.232 -2.232 1
1 1279 . 6 1 1 A 112 112 GLU H H 112 8.290 7.815 0.475 1
1 1280 . 6 1 1 A 112 112 GLU HA H 112 4.830 4.760 0.070 1
1 1285 . 6 1 1 A 112 112 GLU CA C 112 52.600 53.188 -0.588 1
1 1286 . 6 1 1 A 112 112 GLU CB C 112 29.300 32.869 -3.569 1
1 1288 . 6 1 1 A 112 112 GLU N N 112 116.400 115.722 0.678 1
1 1289 . 6 1 1 A 113 113 PRO HA H 113 3.940 4.481 -0.541 1
1 1296 . 6 1 1 A 113 113 PRO CA C 113 65.600 64.159 1.441 1
1 1297 . 6 1 1 A 113 113 PRO CB C 113 31.900 32.011 -0.111 1
1 1300 . 6 1 1 A 114 114 GLN H H 114 8.610 8.780 -0.170 1
1 1301 . 6 1 1 A 114 114 GLN HA H 114 4.250 4.069 0.181 1
1 1308 . 6 1 1 A 114 114 GLN CA C 114 56.100 58.856 -2.756 1
1 1309 . 6 1 1 A 114 114 GLN CB C 114 28.300 29.202 -0.902 1
1 1311 . 6 1 1 A 114 114 GLN N N 114 113.500 118.290 -4.790 1
1 1313 . 6 1 1 A 115 115 LYS H H 115 8.040 7.787 0.253 1
1 1314 . 6 1 1 A 115 115 LYS HA H 115 4.620 4.742 -0.122 1
1 1323 . 6 1 1 A 115 115 LYS CA C 115 53.500 53.730 -0.230 1
1 1324 . 6 1 1 A 115 115 LYS CB C 115 33.400 33.312 0.088 1
1 1328 . 6 1 1 A 115 115 LYS N N 115 121.000 119.293 1.707 1
1 1329 . 6 1 1 A 116 116 PRO HA H 116 4.560 5.089 -0.529 1
1 1336 . 6 1 1 A 116 116 PRO CA C 116 62.900 62.405 0.495 1
1 1337 . 6 1 1 A 116 116 PRO CB C 116 32.500 31.748 0.752 1
1 1340 . 6 1 1 A 117 117 VAL H H 117 7.850 8.279 -0.429 1
1 1341 . 6 1 1 A 117 117 VAL HA H 117 4.360 4.223 0.137 1
1 1349 . 6 1 1 A 117 117 VAL CA C 117 61.200 62.030 -0.830 1
1 1350 . 6 1 1 A 117 117 VAL CB C 117 35.900 31.259 4.641 1
1 1353 . 6 1 1 A 117 117 VAL N N 117 120.600 123.692 -3.092 1
1 1354 . 6 1 1 A 118 118 CYS H H 118 8.820 8.908 -0.088 1
1 1355 . 6 1 1 A 118 118 CYS HA H 118 5.340 5.475 -0.135 1
1 1358 . 6 1 1 A 118 118 CYS CA C 118 56.400 57.058 -0.658 1
1 1359 . 6 1 1 A 118 118 CYS CB C 118 28.700 29.759 -1.059 1
1 1360 . 6 1 1 A 118 118 CYS N N 118 127.100 126.741 0.359 1
1 1361 . 6 1 1 A 119 119 LYS H H 119 8.530 8.941 -0.411 1
1 1362 . 6 1 1 A 119 119 LYS HA H 119 4.590 4.929 -0.339 1
1 1371 . 6 1 1 A 119 119 LYS CA C 119 54.900 54.783 0.117 1
1 1372 . 6 1 1 A 119 119 LYS CB C 119 39.600 36.815 2.785 1
1 1376 . 6 1 1 A 119 119 LYS N N 119 126.400 125.432 0.968 1
1 1377 . 6 1 1 A 120 120 SER H H 120 8.220 8.320 -0.100 1
1 1378 . 6 1 1 A 120 120 SER HA H 120 4.870 5.077 -0.207 1
1 1381 . 6 1 1 A 120 120 SER CA C 120 56.300 57.270 -0.970 1
1 1382 . 6 1 1 A 120 120 SER CB C 120 63.300 64.644 -1.344 1
1 1383 . 6 1 1 A 120 120 SER N N 120 114.500 117.627 -3.127 1
1 1384 . 6 1 1 A 121 121 PHE H H 121 8.450 10.008 -1.558 1
1 1385 . 6 1 1 A 121 121 PHE HA H 121 5.160 5.166 -0.006 1
1 1393 . 6 1 1 A 121 121 PHE CA C 121 57.200 56.500 0.700 1
1 1394 . 6 1 1 A 121 121 PHE CB C 121 42.700 41.236 1.464 1
1 1398 . 6 1 1 A 121 121 PHE N N 121 124.400 125.372 -0.972 1
1 1399 . 6 1 1 A 122 122 LEU H H 122 9.070 9.876 -0.806 1
1 1400 . 6 1 1 A 122 122 LEU HA H 122 5.270 5.039 0.231 1
1 1410 . 6 1 1 A 122 122 LEU CA C 122 53.300 53.672 -0.372 1
1 1411 . 6 1 1 A 122 122 LEU CB C 122 42.200 42.608 -0.408 1
1 1415 . 6 1 1 A 122 122 LEU N N 122 120.900 123.686 -2.786 1
1 1416 . 6 1 1 A 123 123 ILE H H 123 9.730 8.993 0.737 1
1 1417 . 6 1 1 A 123 123 ILE HA H 123 4.290 4.453 -0.163 1
1 1427 . 6 1 1 A 123 123 ILE CA C 123 61.400 60.719 0.681 1
1 1428 . 6 1 1 A 123 123 ILE CB C 123 38.000 37.245 0.755 1
1 1432 . 6 1 1 A 123 123 ILE N N 123 125.900 125.871 0.029 1
1 1433 . 6 1 1 A 124 124 LYS H H 124 8.080 8.759 -0.679 1
1 1434 . 6 1 1 A 124 124 LYS HA H 124 4.720 4.665 0.055 1
1 1443 . 6 1 1 A 124 124 LYS CA C 124 54.100 54.647 -0.547 1
1 1444 . 6 1 1 A 124 124 LYS CB C 124 34.700 34.454 0.246 1
1 1448 . 6 1 1 A 124 124 LYS N N 124 124.600 127.967 -3.367 1
1 1449 . 6 1 1 A 125 125 LYS H H 125 8.830 8.993 -0.163 1
1 1450 . 6 1 1 A 125 125 LYS HA H 125 4.000 3.831 0.169 1
1 1459 . 6 1 1 A 125 125 LYS CA C 125 59.000 60.145 -1.145 1
1 1460 . 6 1 1 A 125 125 LYS CB C 125 31.700 32.431 -0.731 1
1 1464 . 6 1 1 A 125 125 LYS N N 125 120.900 123.797 -2.897 1
1 1465 . 6 1 1 A 126 126 ASP H H 126 8.160 8.177 -0.017 1
1 1466 . 6 1 1 A 126 126 ASP HA H 126 4.650 4.741 -0.091 1
1 1469 . 6 1 1 A 126 126 ASP CA C 126 53.100 53.861 -0.761 1
1 1470 . 6 1 1 A 126 126 ASP CB C 126 40.300 41.326 -1.026 1
1 1471 . 6 1 1 A 126 126 ASP N N 126 113.200 116.930 -3.730 1
1 1472 . 6 1 1 A 127 127 GLY H H 127 7.370 6.939 0.431 1
1 1473 . 6 1 1 A 127 127 GLY HA2 H 127 4.300 3.988 0.312 1
1 1474 . 6 1 1 A 127 127 GLY HA3 H 127 3.900 4.000 -0.100 1
1 1475 . 6 1 1 A 127 127 GLY CA C 127 45.200 44.440 0.760 1
1 1476 . 6 1 1 A 127 127 GLY N N 127 107.600 107.541 0.059 1
1 1477 . 6 1 1 A 128 128 VAL H H 128 8.130 8.330 -0.200 1
1 1478 . 6 1 1 A 128 128 VAL HA H 128 4.900 4.869 0.031 1
1 1486 . 6 1 1 A 128 128 VAL CA C 128 60.900 60.500 0.400 1
1 1487 . 6 1 1 A 128 128 VAL CB C 128 34.000 33.649 0.351 1
1 1490 . 6 1 1 A 128 128 VAL N N 128 118.900 120.361 -1.461 1
1 1491 . 6 1 1 A 129 129 ASP H H 129 9.250 9.352 -0.102 1
1 1492 . 6 1 1 A 129 129 ASP HA H 129 5.220 5.344 -0.124 1
1 1495 . 6 1 1 A 129 129 ASP CA C 129 52.300 52.766 -0.466 1
1 1496 . 6 1 1 A 129 129 ASP CB C 129 43.600 44.681 -1.081 1
1 1497 . 6 1 1 A 129 129 ASP N N 129 126.500 129.010 -2.510 1
1 1498 . 6 1 1 A 130 130 GLU H H 130 8.900 8.682 0.218 1
1 1499 . 6 1 1 A 130 130 GLU HA H 130 4.420 4.750 -0.330 1
1 1504 . 6 1 1 A 130 130 GLU CA C 130 56.400 55.631 0.769 1
1 1505 . 6 1 1 A 130 130 GLU CB C 130 29.800 30.267 -0.467 1
1 1507 . 6 1 1 A 130 130 GLU N N 130 124.000 123.826 0.174 1
1 1508 . 6 1 1 A 131 131 GLU H H 131 8.860 9.084 -0.224 1
1 1509 . 6 1 1 A 131 131 GLU HA H 131 4.430 4.672 -0.242 1
1 1514 . 6 1 1 A 131 131 GLU CA C 131 53.500 54.943 -1.443 1
1 1515 . 6 1 1 A 131 131 GLU CB C 131 32.500 32.026 0.474 1
1 1517 . 6 1 1 A 131 131 GLU N N 131 129.200 124.427 4.773 1
1 1518 . 6 1 1 A 132 132 GLU H H 132 8.610 8.604 0.006 1
1 1519 . 6 1 1 A 132 132 GLU HA H 132 4.050 4.809 -0.759 1
1 1524 . 6 1 1 A 132 132 GLU CA C 132 57.100 55.474 1.626 1
1 1525 . 6 1 1 A 132 132 GLU CB C 132 30.100 31.444 -1.344 1
1 1527 . 6 1 1 A 132 132 GLU N N 132 126.400 121.426 4.974 1
1 1528 . 6 1 1 A 133 133 ILE H H 133 8.200 8.908 -0.708 1
1 1529 . 6 1 1 A 133 133 ILE HA H 133 4.740 4.760 -0.020 1
1 1539 . 6 1 1 A 133 133 ILE CA C 133 60.000 59.749 0.251 1
1 1540 . 6 1 1 A 133 133 ILE CB C 133 39.300 39.333 -0.033 1
1 1544 . 6 1 1 A 133 133 ILE N N 133 124.500 124.284 0.216 1
1 1545 . 6 1 1 A 134 134 ILE H H 134 9.000 9.553 -0.553 1
1 1546 . 6 1 1 A 134 134 ILE HA H 134 4.190 4.797 -0.607 1
1 1556 . 6 1 1 A 134 134 ILE CA C 134 59.000 59.663 -0.663 1
1 1557 . 6 1 1 A 134 134 ILE CB C 134 38.300 40.158 -1.858 1
1 1561 . 6 1 1 A 134 134 ILE N N 134 130.900 128.300 2.600 1
1 1562 . 6 1 1 A 135 135 LEU H H 135 8.360 8.968 -0.608 1
1 1563 . 6 1 1 A 135 135 LEU HA H 135 5.190 5.197 -0.007 1
1 1573 . 6 1 1 A 135 135 LEU CA C 135 52.700 53.224 -0.524 1
1 1574 . 6 1 1 A 135 135 LEU CB C 135 42.800 44.123 -1.323 1
1 1578 . 6 1 1 A 135 135 LEU N N 135 127.100 127.406 -0.306 1
1 1579 . 6 1 1 A 136 136 LYS H H 136 8.790 8.389 0.401 1
1 1580 . 6 1 1 A 136 136 LYS HA H 136 4.330 4.824 -0.494 1
1 1589 . 6 1 1 A 136 136 LYS CA C 136 55.600 54.449 1.151 1
1 1590 . 6 1 1 A 136 136 LYS CB C 136 34.600 35.265 -0.665 1
1 1594 . 6 1 1 A 136 136 LYS N N 136 125.100 121.381 3.719 1
1 1595 . 6 1 1 A 137 137 GLU H H 137 8.850 8.794 0.056 1
1 1596 . 6 1 1 A 137 137 GLU HA H 137 4.240 4.163 0.077 1
1 1601 . 6 1 1 A 137 137 GLU CA C 137 57.600 58.393 -0.793 1
1 1602 . 6 1 1 A 137 137 GLU CB C 137 29.900 30.968 -1.068 1
1 1604 . 6 1 1 A 137 137 GLU N N 137 121.100 121.268 -0.168 1
1 1605 . 6 1 1 A 138 138 GLU H H 138 8.150 7.527 0.623 1
1 1606 . 6 1 1 A 138 138 GLU HA H 138 4.370 4.516 -0.146 1
1 1611 . 6 1 1 A 138 138 GLU CA C 138 55.800 55.129 0.671 1
1 1612 . 6 1 1 A 138 138 GLU CB C 138 30.700 32.640 -1.940 1
1 1614 . 6 1 1 A 138 138 GLU N N 138 119.300 118.052 1.248 1
1 1615 . 6 1 1 A 139 139 LEU H H 139 8.240 8.380 -0.140 1
1 1616 . 6 1 1 A 139 139 LEU HA H 139 4.180 4.436 -0.256 1
1 1626 . 6 1 1 A 139 139 LEU CA C 139 55.400 54.193 1.207 1
1 1627 . 6 1 1 A 139 139 LEU CB C 139 42.300 42.357 -0.057 1
1 1631 . 6 1 1 A 139 139 LEU N N 139 122.800 123.290 -0.490 1
1 1632 . 6 1 1 A 140 140 GLU H H 140 8.250 8.848 -0.598 1
1 1633 . 6 1 1 A 140 140 GLU HA H 140 4.150 4.223 -0.073 1
1 1638 . 6 1 1 A 140 140 GLU CA C 140 56.400 58.639 -2.239 1
1 1639 . 6 1 1 A 140 140 GLU CB C 140 29.900 28.477 1.423 1
1 1641 . 6 1 1 A 140 140 GLU N N 140 120.700 118.323 2.377 1
1 1642 . 6 1 1 A 141 141 HIS H H 141 8.400 8.657 -0.257 1
1 13 . 7 1 1 A 2 2 ILE H H 2 8.780 8.594 0.186 1
1 14 . 7 1 1 A 2 2 ILE HA H 2 5.060 4.911 0.149 1
1 24 . 7 1 1 A 2 2 ILE CA C 2 58.500 59.445 -0.945 1
1 25 . 7 1 1 A 2 2 ILE CB C 2 41.300 41.164 0.136 1
1 29 . 7 1 1 A 2 2 ILE N N 2 124.600 121.311 3.289 1
1 30 . 7 1 1 A 3 3 THR H H 3 8.280 8.788 -0.508 1
1 31 . 7 1 1 A 3 3 THR HA H 3 5.350 5.199 0.151 1
1 36 . 7 1 1 A 3 3 THR CA C 3 60.900 62.115 -1.215 1
1 37 . 7 1 1 A 3 3 THR CB C 3 69.900 70.163 -0.263 1
1 39 . 7 1 1 A 3 3 THR N N 3 123.200 125.281 -2.081 1
1 40 . 7 1 1 A 4 4 LEU H H 4 8.710 8.941 -0.231 1
1 41 . 7 1 1 A 4 4 LEU HA H 4 5.040 5.010 0.030 1
1 51 . 7 1 1 A 4 4 LEU CA C 4 53.800 53.477 0.323 1
1 52 . 7 1 1 A 4 4 LEU CB C 4 45.800 45.669 0.131 1
1 56 . 7 1 1 A 4 4 LEU N N 4 127.600 122.822 4.778 1
1 57 . 7 1 1 A 5 5 THR H H 5 8.440 8.227 0.213 1
1 58 . 7 1 1 A 5 5 THR HA H 5 5.040 5.184 -0.144 1
1 63 . 7 1 1 A 5 5 THR CA C 5 59.300 59.909 -0.609 1
1 64 . 7 1 1 A 5 5 THR CB C 5 71.000 71.715 -0.715 1
1 66 . 7 1 1 A 5 5 THR N N 5 109.500 111.509 -2.009 1
1 67 . 7 1 1 A 6 6 LYS H H 6 8.730 9.068 -0.338 1
1 68 . 7 1 1 A 6 6 LYS HA H 6 3.810 3.935 -0.125 1
1 77 . 7 1 1 A 6 6 LYS CA C 6 60.000 60.413 -0.413 1
1 78 . 7 1 1 A 6 6 LYS CB C 6 32.000 31.932 0.068 1
1 82 . 7 1 1 A 6 6 LYS N N 6 121.500 121.619 -0.119 1
1 83 . 7 1 1 A 7 7 LYS H H 7 8.290 7.993 0.297 1
1 84 . 7 1 1 A 7 7 LYS HA H 7 3.990 3.928 0.062 1
1 93 . 7 1 1 A 7 7 LYS CA C 7 59.200 59.793 -0.593 1
1 94 . 7 1 1 A 7 7 LYS CB C 7 32.400 32.228 0.172 1
1 98 . 7 1 1 A 7 7 LYS N N 7 118.800 120.329 -1.529 1
1 99 . 7 1 1 A 8 8 GLN H H 8 7.650 7.710 -0.060 1
1 100 . 7 1 1 A 8 8 GLN HA H 8 3.890 3.953 -0.063 1
1 107 . 7 1 1 A 8 8 GLN CA C 8 58.100 59.149 -1.049 1
1 108 . 7 1 1 A 8 8 GLN CB C 8 27.400 28.992 -1.592 1
1 110 . 7 1 1 A 8 8 GLN N N 8 119.800 118.270 1.530 1
1 112 . 7 1 1 A 9 9 MET H H 9 8.130 8.070 0.060 1
1 113 . 7 1 1 A 9 9 MET HA H 9 4.130 3.959 0.171 1
1 121 . 7 1 1 A 9 9 MET CA C 9 57.500 58.239 -0.739 1
1 122 . 7 1 1 A 9 9 MET CB C 9 30.900 31.902 -1.002 1
1 125 . 7 1 1 A 9 9 MET N N 9 118.300 119.671 -1.371 1
1 126 . 7 1 1 A 10 10 GLU H H 10 8.460 8.534 -0.074 1
1 127 . 7 1 1 A 10 10 GLU HA H 10 3.890 3.942 -0.052 1
1 132 . 7 1 1 A 10 10 GLU CA C 10 59.100 59.583 -0.483 1
1 133 . 7 1 1 A 10 10 GLU CB C 10 28.500 29.122 -0.622 1
1 135 . 7 1 1 A 10 10 GLU N N 10 118.500 118.147 0.353 1
1 136 . 7 1 1 A 11 11 GLU H H 11 8.200 8.136 0.064 1
1 137 . 7 1 1 A 11 11 GLU HA H 11 4.070 4.024 0.046 1
1 142 . 7 1 1 A 11 11 GLU CA C 11 59.200 58.706 0.494 1
1 143 . 7 1 1 A 11 11 GLU CB C 11 28.900 29.319 -0.419 1
1 145 . 7 1 1 A 11 11 GLU N N 11 120.800 120.367 0.433 1
1 146 . 7 1 1 A 12 12 MET H H 12 7.780 8.181 -0.401 1
1 147 . 7 1 1 A 12 12 MET HA H 12 3.390 4.077 -0.687 1
1 155 . 7 1 1 A 12 12 MET CA C 12 60.600 58.380 2.220 1
1 156 . 7 1 1 A 12 12 MET CB C 12 33.900 33.171 0.729 1
1 159 . 7 1 1 A 12 12 MET N N 12 119.300 118.826 0.474 1
1 160 . 7 1 1 A 13 13 LEU H H 13 8.340 8.728 -0.388 1
1 161 . 7 1 1 A 13 13 LEU HA H 13 3.770 3.968 -0.198 1
1 171 . 7 1 1 A 13 13 LEU CA C 13 58.000 57.956 0.044 1
1 172 . 7 1 1 A 13 13 LEU CB C 13 41.400 41.666 -0.266 1
1 176 . 7 1 1 A 13 13 LEU N N 13 118.600 119.662 -1.062 1
1 177 . 7 1 1 A 14 14 ALA H H 14 8.620 8.517 0.103 1
1 178 . 7 1 1 A 14 14 ALA HA H 14 4.100 4.083 0.017 1
1 182 . 7 1 1 A 14 14 ALA CA C 14 55.200 55.005 0.195 1
1 183 . 7 1 1 A 14 14 ALA CB C 14 17.800 18.275 -0.475 1
1 184 . 7 1 1 A 14 14 ALA N N 14 121.500 120.610 0.890 1
1 185 . 7 1 1 A 15 15 HIS H H 15 7.780 7.676 0.104 1
1 186 . 7 1 1 A 15 15 HIS HA H 15 4.460 4.276 0.184 1
1 190 . 7 1 1 A 15 15 HIS CA C 15 59.000 59.583 -0.583 1
1 191 . 7 1 1 A 15 15 HIS CB C 15 29.300 29.545 -0.245 1
1 193 . 7 1 1 A 15 15 HIS N N 15 116.700 117.936 -1.236 1
1 194 . 7 1 1 A 16 16 ALA H H 16 8.390 8.549 -0.159 1
1 195 . 7 1 1 A 16 16 ALA HA H 16 4.100 3.991 0.109 1
1 199 . 7 1 1 A 16 16 ALA CA C 16 54.500 55.289 -0.789 1
1 200 . 7 1 1 A 16 16 ALA CB C 16 18.200 18.286 -0.086 1
1 201 . 7 1 1 A 16 16 ALA N N 16 120.000 121.291 -1.291 1
1 202 . 7 1 1 A 17 17 ARG H H 17 8.820 8.037 0.783 1
1 203 . 7 1 1 A 17 17 ARG HA H 17 3.890 4.014 -0.124 1
1 210 . 7 1 1 A 17 17 ARG CA C 17 59.900 59.418 0.482 1
1 211 . 7 1 1 A 17 17 ARG CB C 17 30.100 29.741 0.359 1
1 214 . 7 1 1 A 17 17 ARG N N 17 118.900 118.613 0.287 1
1 215 . 7 1 1 A 18 18 GLN H H 18 8.130 8.000 0.130 1
1 216 . 7 1 1 A 18 18 GLN HA H 18 4.060 4.059 0.001 1
1 223 . 7 1 1 A 18 18 GLN CA C 18 57.900 58.710 -0.810 1
1 224 . 7 1 1 A 18 18 GLN CB C 18 28.000 28.583 -0.583 1
1 226 . 7 1 1 A 18 18 GLN N N 18 118.100 118.928 -0.828 1
1 228 . 7 1 1 A 19 19 ALA H H 19 7.090 7.415 -0.325 1
1 229 . 7 1 1 A 19 19 ALA HA H 19 4.220 4.169 0.051 1
1 233 . 7 1 1 A 19 19 ALA CA C 19 52.300 53.066 -0.766 1
1 234 . 7 1 1 A 19 19 ALA CB C 19 20.600 19.381 1.219 1
1 235 . 7 1 1 A 19 19 ALA N N 19 117.600 120.487 -2.887 1
1 236 . 7 1 1 A 20 20 LEU H H 20 7.020 7.397 -0.377 1
1 237 . 7 1 1 A 20 20 LEU HA H 20 4.110 4.395 -0.285 1
1 247 . 7 1 1 A 20 20 LEU CA C 20 54.600 53.865 0.735 1
1 248 . 7 1 1 A 20 20 LEU CB C 20 40.400 41.397 -0.997 1
1 252 . 7 1 1 A 20 20 LEU N N 20 117.900 122.403 -4.503 1
1 253 . 7 1 1 A 21 21 PRO HA H 21 4.320 4.623 -0.303 1
1 260 . 7 1 1 A 21 21 PRO CA C 21 63.700 63.673 0.027 1
1 261 . 7 1 1 A 21 21 PRO CB C 21 35.000 32.329 2.671 1
1 264 . 7 1 1 A 22 22 ASN H H 22 8.690 8.294 0.396 1
1 265 . 7 1 1 A 22 22 ASN HA H 22 4.570 5.137 -0.567 1
1 270 . 7 1 1 A 22 22 ASN CA C 22 52.400 51.954 0.446 1
1 271 . 7 1 1 A 22 22 ASN CB C 22 40.000 40.691 -0.691 1
1 272 . 7 1 1 A 22 22 ASN N N 22 122.000 121.536 0.464 1
1 274 . 7 1 1 A 23 23 GLU H H 23 8.540 8.540 0.000 1
1 275 . 7 1 1 A 23 23 GLU HA H 23 4.050 4.726 -0.676 1
1 280 . 7 1 1 A 23 23 GLU CA C 23 57.300 55.908 1.392 1
1 281 . 7 1 1 A 23 23 GLU CB C 23 29.000 30.515 -1.515 1
1 283 . 7 1 1 A 23 23 GLU N N 23 116.100 119.463 -3.363 1
1 284 . 7 1 1 A 24 24 ALA H H 24 8.390 8.438 -0.048 1
1 285 . 7 1 1 A 24 24 ALA HA H 24 5.040 4.570 0.470 1
1 289 . 7 1 1 A 24 24 ALA CA C 24 48.900 52.739 -3.839 1
1 290 . 7 1 1 A 24 24 ALA CB C 24 23.200 19.429 3.771 1
1 291 . 7 1 1 A 24 24 ALA N N 24 124.800 126.144 -1.344 1
1 292 . 7 1 1 A 25 25 CYS H H 25 8.910 9.015 -0.105 1
1 293 . 7 1 1 A 25 25 CYS HA H 25 5.000 5.267 -0.267 1
1 296 . 7 1 1 A 25 25 CYS CA C 25 55.000 57.070 -2.070 1
1 297 . 7 1 1 A 25 25 CYS CB C 25 32.600 31.389 1.211 1
1 298 . 7 1 1 A 25 25 CYS N N 25 111.700 119.074 -7.374 1
1 299 . 7 1 1 A 26 26 GLY H H 26 7.110 7.882 -0.772 1
1 300 . 7 1 1 A 26 26 GLY HA2 H 26 3.820 3.783 0.037 1
1 301 . 7 1 1 A 26 26 GLY HA3 H 26 4.070 3.985 0.085 1
1 302 . 7 1 1 A 26 26 GLY CA C 26 46.500 45.321 1.179 1
1 303 . 7 1 1 A 26 26 GLY N N 26 103.200 106.220 -3.020 1
1 304 . 7 1 1 A 27 27 LEU H H 27 8.830 8.775 0.055 1
1 305 . 7 1 1 A 27 27 LEU HA H 27 5.200 5.347 -0.147 1
1 315 . 7 1 1 A 27 27 LEU CA C 27 53.200 53.406 -0.206 1
1 316 . 7 1 1 A 27 27 LEU CB C 27 46.600 45.830 0.770 1
1 320 . 7 1 1 A 27 27 LEU N N 27 116.700 120.866 -4.166 1
1 321 . 7 1 1 A 28 28 LEU H H 28 8.060 8.713 -0.653 1
1 322 . 7 1 1 A 28 28 LEU HA H 28 5.200 5.337 -0.137 1
1 332 . 7 1 1 A 28 28 LEU CA C 28 53.400 53.049 0.351 1
1 333 . 7 1 1 A 28 28 LEU CB C 28 44.900 45.267 -0.367 1
1 337 . 7 1 1 A 28 28 LEU N N 28 118.200 121.702 -3.502 1
1 338 . 7 1 1 A 29 29 GLY H H 29 9.210 9.494 -0.284 1
1 339 . 7 1 1 A 29 29 GLY HA2 H 29 3.750 4.332 -0.582 1
1 340 . 7 1 1 A 29 29 GLY HA3 H 29 5.800 4.343 1.457 1
1 341 . 7 1 1 A 29 29 GLY CA C 29 43.600 44.456 -0.856 1
1 342 . 7 1 1 A 29 29 GLY N N 29 109.500 111.800 -2.300 1
1 343 . 7 1 1 A 30 30 GLY H H 30 9.520 8.422 1.098 1
1 344 . 7 1 1 A 30 30 GLY HA2 H 30 3.210 3.642 -0.432 1
1 345 . 7 1 1 A 30 30 GLY HA3 H 30 4.800 4.123 0.677 1
1 346 . 7 1 1 A 30 30 GLY CA C 30 47.500 45.454 2.046 1
1 347 . 7 1 1 A 30 30 GLY N N 30 111.700 108.416 3.284 1
1 348 . 7 1 1 A 31 31 ARG H H 31 8.900 8.461 0.439 1
1 349 . 7 1 1 A 31 31 ARG HA H 31 5.170 5.482 -0.312 1
1 356 . 7 1 1 A 31 31 ARG CA C 31 54.200 54.639 -0.439 1
1 357 . 7 1 1 A 31 31 ARG CB C 31 34.200 33.940 0.260 1
1 360 . 7 1 1 A 31 31 ARG N N 31 123.000 122.051 0.949 1
1 361 . 7 1 1 A 32 32 ARG H H 32 9.070 9.175 -0.105 1
1 362 . 7 1 1 A 32 32 ARG HA H 32 5.140 5.577 -0.437 1
1 369 . 7 1 1 A 32 32 ARG CA C 32 54.700 54.495 0.205 1
1 370 . 7 1 1 A 32 32 ARG CB C 32 33.700 33.813 -0.113 1
1 373 . 7 1 1 A 32 32 ARG N N 32 121.500 123.347 -1.847 1
1 374 . 7 1 1 A 33 33 ASP H H 33 8.640 8.934 -0.294 1
1 375 . 7 1 1 A 33 33 ASP HA H 33 4.850 5.088 -0.238 1
1 378 . 7 1 1 A 33 33 ASP CA C 33 53.400 53.685 -0.285 1
1 379 . 7 1 1 A 33 33 ASP CB C 33 42.100 44.130 -2.030 1
1 380 . 7 1 1 A 33 33 ASP N N 33 124.200 122.304 1.896 1
1 381 . 7 1 1 A 34 34 GLY H H 34 9.020 9.015 0.005 1
1 382 . 7 1 1 A 34 34 GLY HA2 H 34 3.670 3.886 -0.216 1
1 383 . 7 1 1 A 34 34 GLY HA3 H 34 4.000 3.890 0.110 1
1 384 . 7 1 1 A 34 34 GLY CA C 34 47.200 47.333 -0.133 1
1 385 . 7 1 1 A 34 34 GLY N N 34 115.900 115.132 0.768 1
1 386 . 7 1 1 A 35 35 ASP H H 35 9.070 8.710 0.360 1
1 387 . 7 1 1 A 35 35 ASP HA H 35 4.650 4.791 -0.141 1
1 390 . 7 1 1 A 35 35 ASP CA C 35 54.800 53.432 1.368 1
1 391 . 7 1 1 A 35 35 ASP CB C 35 41.000 42.049 -1.049 1
1 392 . 7 1 1 A 35 35 ASP N N 35 127.300 125.720 1.580 1
1 393 . 7 1 1 A 36 36 ASP H H 36 8.070 7.687 0.383 1
1 394 . 7 1 1 A 36 36 ASP HA H 36 4.950 4.867 0.083 1
1 397 . 7 1 1 A 36 36 ASP CA C 36 53.700 52.405 1.295 1
1 398 . 7 1 1 A 36 36 ASP CB C 36 41.700 42.383 -0.683 1
1 399 . 7 1 1 A 36 36 ASP N N 36 120.600 119.043 1.557 1
1 400 . 7 1 1 A 37 37 ARG H H 37 8.070 7.850 0.220 1
1 401 . 7 1 1 A 37 37 ARG HA H 37 4.850 5.071 -0.221 1
1 408 . 7 1 1 A 37 37 ARG CA C 37 55.400 54.299 1.101 1
1 409 . 7 1 1 A 37 37 ARG CB C 37 32.900 33.769 -0.869 1
1 412 . 7 1 1 A 37 37 ARG N N 37 120.800 119.634 1.166 1
1 413 . 7 1 1 A 38 38 TRP H H 38 9.380 9.546 -0.166 1
1 414 . 7 1 1 A 38 38 TRP HA H 38 4.840 5.358 -0.518 1
1 423 . 7 1 1 A 38 38 TRP CA C 38 57.000 55.594 1.406 1
1 424 . 7 1 1 A 38 38 TRP CB C 38 30.100 31.490 -1.390 1
1 430 . 7 1 1 A 38 38 TRP N N 38 124.900 122.996 1.904 1
1 432 . 7 1 1 A 39 39 VAL H H 39 8.450 9.456 -1.006 1
1 433 . 7 1 1 A 39 39 VAL HA H 39 3.390 4.168 -0.778 1
1 441 . 7 1 1 A 39 39 VAL CA C 39 64.500 62.653 1.847 1
1 442 . 7 1 1 A 39 39 VAL CB C 39 31.500 31.398 0.102 1
1 445 . 7 1 1 A 39 39 VAL N N 39 124.400 125.439 -1.039 1
1 446 . 7 1 1 A 40 40 GLU H H 40 9.080 8.395 0.685 1
1 447 . 7 1 1 A 40 40 GLU HA H 40 4.350 4.492 -0.142 1
1 452 . 7 1 1 A 40 40 GLU CA C 40 54.900 56.075 -1.175 1
1 453 . 7 1 1 A 40 40 GLU CB C 40 29.500 30.392 -0.892 1
1 455 . 7 1 1 A 40 40 GLU N N 40 124.200 123.624 0.576 1
1 456 . 7 1 1 A 41 41 ARG H H 41 7.610 7.581 0.029 1
1 457 . 7 1 1 A 41 41 ARG HA H 41 4.070 4.787 -0.717 1
1 464 . 7 1 1 A 41 41 ARG CA C 41 56.800 54.610 2.190 1
1 465 . 7 1 1 A 41 41 ARG CB C 41 33.600 33.094 0.506 1
1 468 . 7 1 1 A 41 41 ARG N N 41 120.000 119.812 0.188 1
1 469 . 7 1 1 A 42 42 VAL H H 42 8.460 8.995 -0.535 1
1 470 . 7 1 1 A 42 42 VAL HA H 42 4.300 4.828 -0.528 1
1 478 . 7 1 1 A 42 42 VAL CA C 42 60.900 61.002 -0.102 1
1 479 . 7 1 1 A 42 42 VAL CB C 42 32.900 33.626 -0.726 1
1 482 . 7 1 1 A 42 42 VAL N N 42 125.600 124.049 1.551 1
1 483 . 7 1 1 A 43 43 TYR H H 43 9.070 8.911 0.159 1
1 484 . 7 1 1 A 43 43 TYR HA H 43 4.930 5.247 -0.317 1
1 491 . 7 1 1 A 43 43 TYR CA C 43 54.600 54.957 -0.357 1
1 492 . 7 1 1 A 43 43 TYR CB C 43 38.500 39.006 -0.506 1
1 495 . 7 1 1 A 43 43 TYR N N 43 124.800 126.479 -1.679 1
1 496 . 7 1 1 A 44 44 PRO HA H 44 4.260 4.890 -0.630 1
1 503 . 7 1 1 A 44 44 PRO CA C 44 63.200 62.307 0.893 1
1 504 . 7 1 1 A 44 44 PRO CB C 44 30.100 30.483 -0.383 1
1 507 . 7 1 1 A 45 45 LEU H H 45 8.270 8.320 -0.050 1
1 508 . 7 1 1 A 45 45 LEU HA H 45 4.930 4.623 0.307 1
1 518 . 7 1 1 A 45 45 LEU CA C 45 53.800 53.829 -0.029 1
1 519 . 7 1 1 A 45 45 LEU CB C 45 45.600 42.498 3.102 1
1 523 . 7 1 1 A 45 45 LEU N N 45 125.800 124.210 1.590 1
1 524 . 7 1 1 A 46 46 ASN H H 46 9.120 8.594 0.526 1
1 525 . 7 1 1 A 46 46 ASN HA H 46 4.630 5.387 -0.757 1
1 530 . 7 1 1 A 46 46 ASN CA C 46 56.000 52.206 3.794 1
1 531 . 7 1 1 A 46 46 ASN CB C 46 39.000 41.044 -2.044 1
1 532 . 7 1 1 A 46 46 ASN N N 46 119.000 119.330 -0.330 1
1 534 . 7 1 1 A 47 47 ASN H H 47 8.460 8.617 -0.157 1
1 535 . 7 1 1 A 47 47 ASN HA H 47 5.260 4.852 0.408 1
1 540 . 7 1 1 A 47 47 ASN CA C 47 51.200 52.653 -1.453 1
1 541 . 7 1 1 A 47 47 ASN CB C 47 37.700 38.095 -0.395 1
1 542 . 7 1 1 A 47 47 ASN N N 47 118.500 121.820 -3.320 1
1 544 . 7 1 1 A 48 48 LEU H H 48 8.890 8.792 0.098 1
1 545 . 7 1 1 A 48 48 LEU HA H 48 4.070 4.210 -0.140 1
1 555 . 7 1 1 A 48 48 LEU CA C 48 56.800 57.103 -0.303 1
1 556 . 7 1 1 A 48 48 LEU CB C 48 41.600 41.708 -0.108 1
1 560 . 7 1 1 A 48 48 LEU N N 48 127.100 126.090 1.010 1
1 561 . 7 1 1 A 49 49 ASP H H 49 7.820 7.742 0.078 1
1 562 . 7 1 1 A 49 49 ASP HA H 49 4.430 4.645 -0.215 1
1 565 . 7 1 1 A 49 49 ASP CA C 49 54.500 53.594 0.906 1
1 566 . 7 1 1 A 49 49 ASP CB C 49 40.100 41.851 -1.751 1
1 567 . 7 1 1 A 49 49 ASP N N 49 115.700 117.080 -1.380 1
1 568 . 7 1 1 A 50 50 GLN H H 50 7.770 7.862 -0.092 1
1 569 . 7 1 1 A 50 50 GLN HA H 50 3.880 3.996 -0.116 1
1 576 . 7 1 1 A 50 50 GLN CA C 50 56.000 56.676 -0.676 1
1 577 . 7 1 1 A 50 50 GLN CB C 50 27.400 26.373 1.027 1
1 579 . 7 1 1 A 50 50 GLN N N 50 115.300 118.505 -3.205 1
1 581 . 7 1 1 A 51 51 SER H H 51 6.370 7.888 -1.518 1
1 582 . 7 1 1 A 51 51 SER HA H 51 5.210 4.911 0.299 1
1 585 . 7 1 1 A 51 51 SER CA C 51 53.700 55.122 -1.422 1
1 586 . 7 1 1 A 51 51 SER CB C 51 66.100 65.816 0.284 1
1 587 . 7 1 1 A 51 51 SER N N 51 109.000 114.766 -5.766 1
1 588 . 7 1 1 A 52 52 PRO HA H 52 4.830 4.813 0.017 1
1 595 . 7 1 1 A 52 52 PRO CA C 52 64.000 64.081 -0.081 1
1 596 . 7 1 1 A 52 52 PRO CB C 52 33.300 32.061 1.239 1
1 599 . 7 1 1 A 53 53 GLU H H 53 8.320 8.580 -0.260 1
1 600 . 7 1 1 A 53 53 GLU HA H 53 4.510 4.422 0.088 1
1 605 . 7 1 1 A 53 53 GLU CA C 53 55.700 57.122 -1.422 1
1 606 . 7 1 1 A 53 53 GLU CB C 53 32.400 30.672 1.728 1
1 608 . 7 1 1 A 53 53 GLU N N 53 113.900 117.309 -3.409 1
1 609 . 7 1 1 A 54 54 HIS H H 54 7.070 7.501 -0.431 1
1 610 . 7 1 1 A 54 54 HIS HA H 54 4.750 5.196 -0.446 1
1 614 . 7 1 1 A 54 54 HIS CA C 54 54.100 54.258 -0.158 1
1 615 . 7 1 1 A 54 54 HIS CB C 54 31.100 34.629 -3.529 1
1 617 . 7 1 1 A 54 54 HIS N N 54 112.500 117.563 -5.063 1
1 618 . 7 1 1 A 55 55 PHE H H 55 7.900 8.964 -1.064 1
1 619 . 7 1 1 A 55 55 PHE HA H 55 5.580 4.782 0.798 1
1 627 . 7 1 1 A 55 55 PHE CA C 55 55.400 58.297 -2.897 1
1 628 . 7 1 1 A 55 55 PHE CB C 55 41.200 41.291 -0.091 1
1 632 . 7 1 1 A 55 55 PHE N N 55 114.900 122.243 -7.343 1
1 633 . 7 1 1 A 56 56 SER H H 56 7.690 8.927 -1.237 1
1 634 . 7 1 1 A 56 56 SER HA H 56 4.300 5.088 -0.788 1
1 637 . 7 1 1 A 56 56 SER CA C 56 57.800 57.352 0.448 1
1 638 . 7 1 1 A 56 56 SER CB C 56 65.300 65.724 -0.424 1
1 639 . 7 1 1 A 56 56 SER N N 56 112.900 122.820 -9.920 1
1 640 . 7 1 1 A 57 57 MET H H 57 8.750 8.836 -0.086 1
1 641 . 7 1 1 A 57 57 MET HA H 57 4.860 4.755 0.105 1
1 649 . 7 1 1 A 57 57 MET CA C 57 54.400 54.492 -0.092 1
1 650 . 7 1 1 A 57 57 MET CB C 57 36.000 33.492 2.508 1
1 653 . 7 1 1 A 57 57 MET N N 57 120.000 123.194 -3.194 1
1 654 . 7 1 1 A 58 58 ASP H H 58 10.180 8.053 2.127 1
1 655 . 7 1 1 A 58 58 ASP HA H 58 4.740 4.725 0.015 1
1 658 . 7 1 1 A 58 58 ASP CA C 58 51.700 54.790 -3.090 1
1 659 . 7 1 1 A 58 58 ASP CB C 58 42.700 39.809 2.891 1
1 660 . 7 1 1 A 58 58 ASP N N 58 126.600 119.172 7.428 1
1 661 . 7 1 1 A 59 59 PRO HA H 59 4.400 4.277 0.123 1
1 668 . 7 1 1 A 59 59 PRO CA C 59 65.300 64.960 0.340 1
1 669 . 7 1 1 A 59 59 PRO CB C 59 32.300 32.221 0.079 1
1 672 . 7 1 1 A 60 60 ARG H H 60 8.520 8.485 0.035 1
1 673 . 7 1 1 A 60 60 ARG HA H 60 4.120 4.020 0.100 1
1 680 . 7 1 1 A 60 60 ARG CA C 60 59.200 59.141 0.059 1
1 681 . 7 1 1 A 60 60 ARG CB C 60 29.500 29.901 -0.401 1
1 684 . 7 1 1 A 60 60 ARG N N 60 118.700 119.033 -0.333 1
1 685 . 7 1 1 A 61 61 GLU H H 61 7.730 8.314 -0.584 1
1 686 . 7 1 1 A 61 61 GLU HA H 61 4.190 4.068 0.122 1
1 691 . 7 1 1 A 61 61 GLU CA C 61 59.000 59.058 -0.058 1
1 692 . 7 1 1 A 61 61 GLU CB C 61 30.200 29.378 0.822 1
1 694 . 7 1 1 A 61 61 GLU N N 61 119.800 119.932 -0.132 1
1 695 . 7 1 1 A 62 62 GLN H H 62 8.220 7.678 0.542 1
1 696 . 7 1 1 A 62 62 GLN HA H 62 3.830 3.988 -0.158 1
1 703 . 7 1 1 A 62 62 GLN CA C 62 59.900 58.814 1.086 1
1 704 . 7 1 1 A 62 62 GLN CB C 62 29.000 28.361 0.639 1
1 706 . 7 1 1 A 62 62 GLN N N 62 118.700 118.566 0.134 1
1 708 . 7 1 1 A 63 63 LEU H H 63 7.950 8.315 -0.365 1
1 709 . 7 1 1 A 63 63 LEU HA H 63 4.110 4.033 0.077 1
1 719 . 7 1 1 A 63 63 LEU CA C 63 58.000 58.185 -0.185 1
1 720 . 7 1 1 A 63 63 LEU CB C 63 41.400 41.534 -0.134 1
1 724 . 7 1 1 A 63 63 LEU N N 63 119.200 122.332 -3.132 1
1 725 . 7 1 1 A 64 64 THR H H 64 7.910 8.047 -0.137 1
1 726 . 7 1 1 A 64 64 THR HA H 64 3.790 3.837 -0.047 1
1 731 . 7 1 1 A 64 64 THR CA C 64 66.800 66.323 0.477 1
1 732 . 7 1 1 A 64 64 THR CB C 64 68.700 68.400 0.300 1
1 734 . 7 1 1 A 64 64 THR N N 64 116.000 114.539 1.461 1
1 735 . 7 1 1 A 65 65 ALA H H 65 7.520 7.300 0.220 1
1 736 . 7 1 1 A 65 65 ALA HA H 65 3.970 3.619 0.351 1
1 740 . 7 1 1 A 65 65 ALA CA C 65 55.100 54.822 0.278 1
1 741 . 7 1 1 A 65 65 ALA CB C 65 17.900 17.987 -0.087 1
1 742 . 7 1 1 A 65 65 ALA N N 65 125.200 123.555 1.645 1
1 743 . 7 1 1 A 66 66 VAL H H 66 8.420 8.141 0.279 1
1 744 . 7 1 1 A 66 66 VAL HA H 66 3.840 3.370 0.470 1
1 752 . 7 1 1 A 66 66 VAL CA C 66 66.200 66.887 -0.687 1
1 753 . 7 1 1 A 66 66 VAL CB C 66 31.700 31.384 0.316 1
1 756 . 7 1 1 A 66 66 VAL N N 66 119.300 118.794 0.506 1
1 757 . 7 1 1 A 67 67 LYS H H 67 8.570 8.188 0.382 1
1 758 . 7 1 1 A 67 67 LYS HA H 67 3.960 3.920 0.040 1
1 767 . 7 1 1 A 67 67 LYS CA C 67 60.300 59.141 1.159 1
1 768 . 7 1 1 A 67 67 LYS CB C 67 32.200 31.952 0.248 1
1 772 . 7 1 1 A 67 67 LYS N N 67 120.600 120.286 0.314 1
1 773 . 7 1 1 A 68 68 ASP H H 68 7.660 8.327 -0.667 1
1 774 . 7 1 1 A 68 68 ASP HA H 68 4.290 4.312 -0.022 1
1 777 . 7 1 1 A 68 68 ASP CA C 68 58.300 58.036 0.264 1
1 778 . 7 1 1 A 68 68 ASP CB C 68 42.700 41.625 1.075 1
1 779 . 7 1 1 A 68 68 ASP N N 68 121.500 119.475 2.025 1
1 780 . 7 1 1 A 69 69 MET H H 69 8.620 8.351 0.269 1
1 781 . 7 1 1 A 69 69 MET HA H 69 4.250 4.333 -0.083 1
1 789 . 7 1 1 A 69 69 MET CA C 69 60.300 58.777 1.523 1
1 790 . 7 1 1 A 69 69 MET CB C 69 32.700 32.898 -0.198 1
1 793 . 7 1 1 A 69 69 MET N N 69 120.100 118.289 1.811 1
1 794 . 7 1 1 A 70 70 ARG H H 70 8.500 8.321 0.179 1
1 795 . 7 1 1 A 70 70 ARG HA H 70 4.110 4.105 0.005 1
1 802 . 7 1 1 A 70 70 ARG CA C 70 59.200 59.438 -0.238 1
1 803 . 7 1 1 A 70 70 ARG CB C 70 29.600 29.899 -0.299 1
1 806 . 7 1 1 A 70 70 ARG N N 70 119.000 118.870 0.130 1
1 807 . 7 1 1 A 71 71 LYS H H 71 8.020 8.308 -0.288 1
1 808 . 7 1 1 A 71 71 LYS HA H 71 3.970 4.064 -0.094 1
1 817 . 7 1 1 A 71 71 LYS CA C 71 58.800 59.205 -0.405 1
1 818 . 7 1 1 A 71 71 LYS CB C 71 32.000 32.199 -0.199 1
1 822 . 7 1 1 A 71 71 LYS N N 71 121.100 120.536 0.564 1
1 823 . 7 1 1 A 72 72 ASN H H 72 6.960 7.244 -0.284 1
1 824 . 7 1 1 A 72 72 ASN HA H 72 4.090 4.873 -0.783 1
1 829 . 7 1 1 A 72 72 ASN CA C 72 53.300 52.824 0.476 1
1 830 . 7 1 1 A 72 72 ASN CB C 72 39.000 38.905 0.095 1
1 831 . 7 1 1 A 72 72 ASN N N 72 114.600 115.332 -0.732 1
1 833 . 7 1 1 A 73 73 GLY H H 73 7.560 8.045 -0.485 1
1 834 . 7 1 1 A 73 73 GLY HA2 H 73 3.890 3.727 0.163 1
1 835 . 7 1 1 A 73 73 GLY HA3 H 73 3.760 3.847 -0.087 1
1 836 . 7 1 1 A 73 73 GLY CA C 73 45.900 45.524 0.376 1
1 837 . 7 1 1 A 73 73 GLY N N 73 106.700 107.579 -0.879 1
1 838 . 7 1 1 A 74 74 TRP H H 74 8.240 8.064 0.176 1
1 839 . 7 1 1 A 74 74 TRP HA H 74 5.260 4.923 0.337 1
1 848 . 7 1 1 A 74 74 TRP CA C 74 53.100 57.139 -4.039 1
1 849 . 7 1 1 A 74 74 TRP CB C 74 31.400 32.740 -1.340 1
1 855 . 7 1 1 A 74 74 TRP N N 74 120.700 120.419 0.281 1
1 857 . 7 1 1 A 75 75 VAL H H 75 9.410 8.963 0.447 1
1 858 . 7 1 1 A 75 75 VAL HA H 75 4.800 4.923 -0.123 1
1 866 . 7 1 1 A 75 75 VAL CA C 75 58.500 59.219 -0.719 1
1 867 . 7 1 1 A 75 75 VAL CB C 75 35.500 35.961 -0.461 1
1 870 . 7 1 1 A 75 75 VAL N N 75 112.100 116.684 -4.584 1
1 871 . 7 1 1 A 76 76 MET H H 76 8.800 8.673 0.127 1
1 872 . 7 1 1 A 76 76 MET HA H 76 4.650 4.762 -0.112 1
1 880 . 7 1 1 A 76 76 MET CA C 76 56.900 54.936 1.964 1
1 881 . 7 1 1 A 76 76 MET CB C 76 32.600 33.762 -1.162 1
1 884 . 7 1 1 A 76 76 MET N N 76 122.400 122.680 -0.280 1
1 885 . 7 1 1 A 77 77 LEU H H 77 8.780 9.463 -0.683 1
1 886 . 7 1 1 A 77 77 LEU HA H 77 4.480 4.598 -0.118 1
1 896 . 7 1 1 A 77 77 LEU CA C 77 54.100 55.564 -1.464 1
1 897 . 7 1 1 A 77 77 LEU CB C 77 44.700 43.321 1.379 1
1 901 . 7 1 1 A 77 77 LEU N N 77 125.600 127.319 -1.719 1
1 902 . 7 1 1 A 78 78 GLY H H 78 7.590 7.094 0.496 1
1 903 . 7 1 1 A 78 78 GLY HA2 H 78 5.150 4.178 0.972 1
1 904 . 7 1 1 A 78 78 GLY HA3 H 78 3.660 4.191 -0.531 1
1 905 . 7 1 1 A 78 78 GLY CA C 78 45.700 45.455 0.245 1
1 906 . 7 1 1 A 78 78 GLY N N 78 102.900 105.350 -2.450 1
1 907 . 7 1 1 A 79 79 ASN H H 79 8.520 8.448 0.072 1
1 908 . 7 1 1 A 79 79 ASN HA H 79 5.230 5.699 -0.469 1
1 913 . 7 1 1 A 79 79 ASN CA C 79 51.100 51.895 -0.795 1
1 914 . 7 1 1 A 79 79 ASN CB C 79 41.500 42.138 -0.638 1
1 915 . 7 1 1 A 79 79 ASN N N 79 115.600 118.054 -2.454 1
1 917 . 7 1 1 A 80 80 PHE H H 80 8.410 8.337 0.073 1
1 918 . 7 1 1 A 80 80 PHE HA H 80 6.120 5.997 0.123 1
1 926 . 7 1 1 A 80 80 PHE CA C 80 54.500 55.623 -1.123 1
1 927 . 7 1 1 A 80 80 PHE CB C 80 44.800 43.016 1.784 1
1 931 . 7 1 1 A 80 80 PHE N N 80 113.100 116.523 -3.423 1
1 932 . 7 1 1 A 81 81 HIS H H 81 8.310 9.187 -0.877 1
1 933 . 7 1 1 A 81 81 HIS HA H 81 5.300 6.195 -0.895 1
1 938 . 7 1 1 A 81 81 HIS CA C 81 54.400 54.033 0.367 1
1 939 . 7 1 1 A 81 81 HIS CB C 81 30.300 33.261 -2.961 1
1 942 . 7 1 1 A 81 81 HIS N N 81 111.600 116.309 -4.709 1
1 943 . 7 1 1 A 82 82 SER H H 82 8.390 8.968 -0.578 1
1 944 . 7 1 1 A 82 82 SER HA H 82 5.510 5.431 0.079 1
1 947 . 7 1 1 A 82 82 SER CA C 82 54.800 56.791 -1.991 1
1 948 . 7 1 1 A 82 82 SER CB C 82 66.700 66.099 0.601 1
1 949 . 7 1 1 A 82 82 SER N N 82 112.700 117.252 -4.552 1
1 950 . 7 1 1 A 83 83 HIS H H 83 8.890 9.010 -0.120 1
1 951 . 7 1 1 A 83 83 HIS HA H 83 5.480 4.790 0.690 1
1 956 . 7 1 1 A 83 83 HIS CA C 83 49.900 54.256 -4.356 1
1 957 . 7 1 1 A 83 83 HIS CB C 83 32.000 30.814 1.186 1
1 960 . 7 1 1 A 83 83 HIS N N 83 115.200 121.575 -6.375 1
1 961 . 7 1 1 A 84 84 PRO HA H 84 3.940 4.439 -0.499 1
1 968 . 7 1 1 A 84 84 PRO CA C 84 65.600 64.800 0.800 1
1 969 . 7 1 1 A 84 84 PRO CB C 84 33.300 32.184 1.116 1
1 972 . 7 1 1 A 85 85 ALA H H 85 8.410 8.287 0.123 1
1 973 . 7 1 1 A 85 85 ALA HA H 85 4.670 4.544 0.126 1
1 977 . 7 1 1 A 85 85 ALA CA C 85 51.300 51.442 -0.142 1
1 978 . 7 1 1 A 85 85 ALA CB C 85 21.200 19.702 1.498 1
1 979 . 7 1 1 A 85 85 ALA N N 85 112.800 119.300 -6.500 1
1 980 . 7 1 1 A 86 86 THR H H 86 7.070 7.474 -0.404 1
1 981 . 7 1 1 A 86 86 THR HA H 86 4.960 5.073 -0.113 1
1 986 . 7 1 1 A 86 86 THR CA C 86 58.600 58.467 0.133 1
1 987 . 7 1 1 A 86 86 THR CB C 86 69.500 70.451 -0.951 1
1 989 . 7 1 1 A 86 86 THR N N 86 109.200 108.185 1.015 1
1 990 . 7 1 1 A 87 87 PRO HA H 87 4.630 4.617 0.013 1
1 997 . 7 1 1 A 87 87 PRO CA C 87 62.700 62.859 -0.159 1
1 998 . 7 1 1 A 87 87 PRO CB C 87 33.500 33.128 0.372 1
1 1001 . 7 1 1 A 88 88 ALA H H 88 9.760 8.406 1.354 1
1 1002 . 7 1 1 A 88 88 ALA HA H 88 3.960 4.470 -0.510 1
1 1006 . 7 1 1 A 88 88 ALA CA C 88 51.700 52.012 -0.312 1
1 1007 . 7 1 1 A 88 88 ALA CB C 88 16.300 19.264 -2.964 1
1 1008 . 7 1 1 A 88 88 ALA N N 88 127.600 121.748 5.852 1
1 1009 . 7 1 1 A 89 89 ARG H H 89 7.570 7.581 -0.011 1
1 1010 . 7 1 1 A 89 89 ARG HA H 89 4.280 4.690 -0.410 1
1 1017 . 7 1 1 A 89 89 ARG CA C 89 53.200 53.088 0.112 1
1 1018 . 7 1 1 A 89 89 ARG CB C 89 31.300 33.291 -1.991 1
1 1021 . 7 1 1 A 89 89 ARG N N 89 118.300 121.011 -2.711 1
1 1022 . 7 1 1 A 90 90 PRO HA H 90 4.510 4.746 -0.236 1
1 1029 . 7 1 1 A 90 90 PRO CA C 90 62.900 62.603 0.297 1
1 1030 . 7 1 1 A 90 90 PRO CB C 90 31.300 31.582 -0.282 1
1 1033 . 7 1 1 A 91 91 SER H H 91 9.630 8.436 1.194 1
1 1034 . 7 1 1 A 91 91 SER HA H 91 4.600 4.469 0.131 1
1 1037 . 7 1 1 A 91 91 SER CA C 91 56.500 59.138 -2.638 1
1 1038 . 7 1 1 A 91 91 SER CB C 91 66.000 64.064 1.936 1
1 1039 . 7 1 1 A 91 91 SER N N 91 122.500 118.317 4.183 1
1 1040 . 7 1 1 A 92 92 ALA H H 92 8.910 8.910 0.000 1
1 1041 . 7 1 1 A 92 92 ALA HA H 92 3.980 3.945 0.035 1
1 1045 . 7 1 1 A 92 92 ALA CA C 92 55.900 55.372 0.528 1
1 1046 . 7 1 1 A 92 92 ALA CB C 92 17.800 18.076 -0.276 1
1 1047 . 7 1 1 A 92 92 ALA N N 92 123.000 125.278 -2.278 1
1 1048 . 7 1 1 A 93 93 GLU H H 93 8.370 8.021 0.349 1
1 1049 . 7 1 1 A 93 93 GLU HA H 93 4.070 3.936 0.134 1
1 1054 . 7 1 1 A 93 93 GLU CA C 93 58.900 59.249 -0.349 1
1 1055 . 7 1 1 A 93 93 GLU CB C 93 28.800 29.441 -0.641 1
1 1057 . 7 1 1 A 93 93 GLU N N 93 118.800 117.918 0.882 1
1 1058 . 7 1 1 A 94 94 ASP H H 94 7.770 8.194 -0.424 1
1 1059 . 7 1 1 A 94 94 ASP HA H 94 4.260 4.219 0.041 1
1 1062 . 7 1 1 A 94 94 ASP CA C 94 57.100 57.285 -0.185 1
1 1063 . 7 1 1 A 94 94 ASP CB C 94 40.200 40.767 -0.567 1
1 1064 . 7 1 1 A 94 94 ASP N N 94 119.200 119.672 -0.472 1
1 1065 . 7 1 1 A 95 95 LYS H H 95 7.830 8.146 -0.316 1
1 1066 . 7 1 1 A 95 95 LYS HA H 95 3.720 3.978 -0.258 1
1 1075 . 7 1 1 A 95 95 LYS CA C 95 59.500 59.186 0.314 1
1 1076 . 7 1 1 A 95 95 LYS CB C 95 31.900 31.798 0.102 1
1 1080 . 7 1 1 A 95 95 LYS N N 95 116.400 119.461 -3.061 1
1 1081 . 7 1 1 A 96 96 ARG H H 96 7.570 7.890 -0.320 1
1 1082 . 7 1 1 A 96 96 ARG HA H 96 3.940 4.018 -0.078 1
1 1089 . 7 1 1 A 96 96 ARG CA C 96 58.500 58.906 -0.406 1
1 1090 . 7 1 1 A 96 96 ARG CB C 96 30.100 30.110 -0.010 1
1 1093 . 7 1 1 A 96 96 ARG N N 96 119.400 118.764 0.636 1
1 1094 . 7 1 1 A 97 97 LEU H H 97 7.270 7.014 0.256 1
1 1095 . 7 1 1 A 97 97 LEU HA H 97 4.030 4.303 -0.273 1
1 1105 . 7 1 1 A 97 97 LEU CA C 97 54.400 53.886 0.514 1
1 1106 . 7 1 1 A 97 97 LEU CB C 97 41.600 41.146 0.454 1
1 1110 . 7 1 1 A 97 97 LEU N N 97 116.100 116.375 -0.275 1
1 1111 . 7 1 1 A 98 98 ALA H H 98 6.950 7.033 -0.083 1
1 1112 . 7 1 1 A 98 98 ALA HA H 98 4.230 4.615 -0.385 1
1 1116 . 7 1 1 A 98 98 ALA CA C 98 50.800 50.914 -0.114 1
1 1117 . 7 1 1 A 98 98 ALA CB C 98 16.700 19.320 -2.620 1
1 1118 . 7 1 1 A 98 98 ALA N N 98 124.800 123.826 0.974 1
1 1119 . 7 1 1 A 99 99 PHE H H 99 7.630 8.822 -1.192 1
1 1120 . 7 1 1 A 99 99 PHE HA H 99 4.490 4.680 -0.190 1
1 1128 . 7 1 1 A 99 99 PHE CA C 99 58.200 57.129 1.071 1
1 1129 . 7 1 1 A 99 99 PHE CB C 99 39.500 39.215 0.285 1
1 1133 . 7 1 1 A 99 99 PHE N N 99 120.400 123.410 -3.010 1
1 1134 . 7 1 1 A 100 100 ASP H H 100 7.320 7.889 -0.569 1
1 1135 . 7 1 1 A 100 100 ASP HA H 100 5.240 4.971 0.269 1
1 1138 . 7 1 1 A 100 100 ASP CA C 100 49.900 51.587 -1.687 1
1 1139 . 7 1 1 A 100 100 ASP CB C 100 42.200 40.919 1.281 1
1 1140 . 7 1 1 A 100 100 ASP N N 100 118.200 118.245 -0.045 1
1 1141 . 7 1 1 A 101 101 PRO HA H 101 5.040 4.497 0.543 1
1 1148 . 7 1 1 A 101 101 PRO CA C 101 64.200 64.236 -0.036 1
1 1149 . 7 1 1 A 101 101 PRO CB C 101 32.800 31.857 0.943 1
1 1152 . 7 1 1 A 102 102 SER H H 102 8.950 8.140 0.810 1
1 1153 . 7 1 1 A 102 102 SER HA H 102 4.530 4.768 -0.238 1
1 1156 . 7 1 1 A 102 102 SER CA C 102 59.300 57.964 1.336 1
1 1157 . 7 1 1 A 102 102 SER CB C 102 64.500 65.186 -0.686 1
1 1158 . 7 1 1 A 102 102 SER N N 102 117.700 112.216 5.484 1
1 1159 . 7 1 1 A 103 103 LEU H H 103 6.850 7.468 -0.618 1
1 1160 . 7 1 1 A 103 103 LEU HA H 103 4.200 4.818 -0.618 1
1 1170 . 7 1 1 A 103 103 LEU CA C 103 53.700 53.520 0.180 1
1 1171 . 7 1 1 A 103 103 LEU CB C 103 41.800 43.322 -1.522 1
1 1175 . 7 1 1 A 103 103 LEU N N 103 121.100 123.375 -2.275 1
1 1176 . 7 1 1 A 104 104 SER H H 104 8.080 8.561 -0.481 1
1 1177 . 7 1 1 A 104 104 SER HA H 104 4.310 5.137 -0.827 1
1 1180 . 7 1 1 A 104 104 SER CA C 104 60.300 57.489 2.811 1
1 1181 . 7 1 1 A 104 104 SER CB C 104 63.300 65.671 -2.371 1
1 1182 . 7 1 1 A 104 104 SER N N 104 116.100 117.319 -1.219 1
1 1183 . 7 1 1 A 105 105 TYR H H 105 8.790 9.126 -0.336 1
1 1184 . 7 1 1 A 105 105 TYR HA H 105 4.750 4.992 -0.242 1
1 1191 . 7 1 1 A 105 105 TYR CA C 105 57.100 57.249 -0.149 1
1 1192 . 7 1 1 A 105 105 TYR CB C 105 37.700 37.896 -0.196 1
1 1195 . 7 1 1 A 105 105 TYR N N 105 122.700 125.882 -3.182 1
1 1196 . 7 1 1 A 106 106 LEU H H 106 8.750 8.697 0.053 1
1 1197 . 7 1 1 A 106 106 LEU HA H 106 5.290 4.634 0.656 1
1 1207 . 7 1 1 A 106 106 LEU CA C 106 56.000 54.718 1.282 1
1 1208 . 7 1 1 A 106 106 LEU CB C 106 43.400 42.394 1.006 1
1 1212 . 7 1 1 A 106 106 LEU N N 106 125.200 126.055 -0.855 1
1 1213 . 7 1 1 A 107 107 ILE H H 107 9.480 9.113 0.367 1
1 1214 . 7 1 1 A 107 107 ILE HA H 107 4.630 5.150 -0.520 1
1 1224 . 7 1 1 A 107 107 ILE CA C 107 59.700 59.574 0.126 1
1 1225 . 7 1 1 A 107 107 ILE CB C 107 40.500 40.886 -0.386 1
1 1229 . 7 1 1 A 107 107 ILE N N 107 123.800 126.427 -2.627 1
1 1230 . 7 1 1 A 108 108 ILE H H 108 7.820 8.448 -0.628 1
1 1231 . 7 1 1 A 108 108 ILE HA H 108 4.950 5.138 -0.188 1
1 1241 . 7 1 1 A 108 108 ILE CA C 108 58.600 59.950 -1.350 1
1 1242 . 7 1 1 A 108 108 ILE CB C 108 41.700 41.211 0.489 1
1 1246 . 7 1 1 A 108 108 ILE N N 108 125.200 129.560 -4.360 1
1 1247 . 7 1 1 A 109 109 SER H H 109 9.780 9.342 0.438 1
1 1248 . 7 1 1 A 109 109 SER HA H 109 5.430 4.986 0.444 1
1 1251 . 7 1 1 A 109 109 SER CA C 109 56.400 56.623 -0.223 1
1 1252 . 7 1 1 A 109 109 SER CB C 109 64.900 64.486 0.414 1
1 1253 . 7 1 1 A 109 109 SER N N 109 120.300 122.737 -2.437 1
1 1254 . 7 1 1 A 110 110 LEU H H 110 8.110 8.609 -0.499 1
1 1255 . 7 1 1 A 110 110 LEU HA H 110 4.630 4.549 0.081 1
1 1265 . 7 1 1 A 110 110 LEU CA C 110 53.300 53.536 -0.236 1
1 1266 . 7 1 1 A 110 110 LEU CB C 110 41.100 41.300 -0.200 1
1 1270 . 7 1 1 A 110 110 LEU N N 110 130.700 130.915 -0.215 1
1 1271 . 7 1 1 A 111 111 ALA H H 111 7.390 8.258 -0.868 1
1 1272 . 7 1 1 A 111 111 ALA HA H 111 3.920 4.313 -0.393 1
1 1276 . 7 1 1 A 111 111 ALA CA C 111 55.200 54.173 1.027 1
1 1277 . 7 1 1 A 111 111 ALA CB C 111 17.900 19.249 -1.349 1
1 1278 . 7 1 1 A 111 111 ALA N N 111 121.000 126.878 -5.878 1
1 1279 . 7 1 1 A 112 112 GLU H H 112 8.290 7.769 0.521 1
1 1280 . 7 1 1 A 112 112 GLU HA H 112 4.830 4.676 0.154 1
1 1285 . 7 1 1 A 112 112 GLU CA C 112 52.600 53.521 -0.921 1
1 1286 . 7 1 1 A 112 112 GLU CB C 112 29.300 32.909 -3.609 1
1 1288 . 7 1 1 A 112 112 GLU N N 112 116.400 115.689 0.711 1
1 1289 . 7 1 1 A 113 113 PRO HA H 113 3.940 4.384 -0.444 1
1 1296 . 7 1 1 A 113 113 PRO CA C 113 65.600 64.293 1.307 1
1 1297 . 7 1 1 A 113 113 PRO CB C 113 31.900 31.819 0.081 1
1 1300 . 7 1 1 A 114 114 GLN H H 114 8.610 8.584 0.026 1
1 1301 . 7 1 1 A 114 114 GLN HA H 114 4.250 4.175 0.075 1
1 1308 . 7 1 1 A 114 114 GLN CA C 114 56.100 57.157 -1.057 1
1 1309 . 7 1 1 A 114 114 GLN CB C 114 28.300 29.621 -1.321 1
1 1311 . 7 1 1 A 114 114 GLN N N 114 113.500 117.123 -3.623 1
1 1313 . 7 1 1 A 115 115 LYS H H 115 8.040 7.706 0.334 1
1 1314 . 7 1 1 A 115 115 LYS HA H 115 4.620 4.748 -0.128 1
1 1323 . 7 1 1 A 115 115 LYS CA C 115 53.500 53.653 -0.153 1
1 1324 . 7 1 1 A 115 115 LYS CB C 115 33.400 33.272 0.128 1
1 1328 . 7 1 1 A 115 115 LYS N N 115 121.000 119.661 1.339 1
1 1329 . 7 1 1 A 116 116 PRO HA H 116 4.560 5.246 -0.686 1
1 1336 . 7 1 1 A 116 116 PRO CA C 116 62.900 62.386 0.514 1
1 1337 . 7 1 1 A 116 116 PRO CB C 116 32.500 31.694 0.806 1
1 1340 . 7 1 1 A 117 117 VAL H H 117 7.850 8.277 -0.427 1
1 1341 . 7 1 1 A 117 117 VAL HA H 117 4.360 4.220 0.140 1
1 1349 . 7 1 1 A 117 117 VAL CA C 117 61.200 61.939 -0.739 1
1 1350 . 7 1 1 A 117 117 VAL CB C 117 35.900 31.443 4.457 1
1 1353 . 7 1 1 A 117 117 VAL N N 117 120.600 124.002 -3.402 1
1 1354 . 7 1 1 A 118 118 CYS H H 118 8.820 8.931 -0.111 1
1 1355 . 7 1 1 A 118 118 CYS HA H 118 5.340 5.471 -0.131 1
1 1358 . 7 1 1 A 118 118 CYS CA C 118 56.400 56.805 -0.405 1
1 1359 . 7 1 1 A 118 118 CYS CB C 118 28.700 29.067 -0.367 1
1 1360 . 7 1 1 A 118 118 CYS N N 118 127.100 125.718 1.382 1
1 1361 . 7 1 1 A 119 119 LYS H H 119 8.530 9.224 -0.694 1
1 1362 . 7 1 1 A 119 119 LYS HA H 119 4.590 4.915 -0.325 1
1 1371 . 7 1 1 A 119 119 LYS CA C 119 54.900 54.745 0.155 1
1 1372 . 7 1 1 A 119 119 LYS CB C 119 39.600 36.723 2.877 1
1 1376 . 7 1 1 A 119 119 LYS N N 119 126.400 124.570 1.830 1
1 1377 . 7 1 1 A 120 120 SER H H 120 8.220 8.570 -0.350 1
1 1378 . 7 1 1 A 120 120 SER HA H 120 4.870 5.205 -0.335 1
1 1381 . 7 1 1 A 120 120 SER CA C 120 56.300 56.250 0.050 1
1 1382 . 7 1 1 A 120 120 SER CB C 120 63.300 64.843 -1.543 1
1 1383 . 7 1 1 A 120 120 SER N N 120 114.500 116.437 -1.937 1
1 1384 . 7 1 1 A 121 121 PHE H H 121 8.450 8.917 -0.467 1
1 1385 . 7 1 1 A 121 121 PHE HA H 121 5.160 5.233 -0.073 1
1 1393 . 7 1 1 A 121 121 PHE CA C 121 57.200 56.318 0.882 1
1 1394 . 7 1 1 A 121 121 PHE CB C 121 42.700 42.214 0.486 1
1 1398 . 7 1 1 A 121 121 PHE N N 121 124.400 124.775 -0.375 1
1 1399 . 7 1 1 A 122 122 LEU H H 122 9.070 9.627 -0.557 1
1 1400 . 7 1 1 A 122 122 LEU HA H 122 5.270 4.857 0.413 1
1 1410 . 7 1 1 A 122 122 LEU CA C 122 53.300 53.749 -0.449 1
1 1411 . 7 1 1 A 122 122 LEU CB C 122 42.200 41.951 0.249 1
1 1415 . 7 1 1 A 122 122 LEU N N 122 120.900 124.272 -3.372 1
1 1416 . 7 1 1 A 123 123 ILE H H 123 9.730 8.805 0.925 1
1 1417 . 7 1 1 A 123 123 ILE HA H 123 4.290 4.469 -0.179 1
1 1427 . 7 1 1 A 123 123 ILE CA C 123 61.400 60.925 0.475 1
1 1428 . 7 1 1 A 123 123 ILE CB C 123 38.000 37.434 0.566 1
1 1432 . 7 1 1 A 123 123 ILE N N 123 125.900 125.308 0.592 1
1 1433 . 7 1 1 A 124 124 LYS H H 124 8.080 8.601 -0.521 1
1 1434 . 7 1 1 A 124 124 LYS HA H 124 4.720 4.634 0.086 1
1 1443 . 7 1 1 A 124 124 LYS CA C 124 54.100 54.596 -0.496 1
1 1444 . 7 1 1 A 124 124 LYS CB C 124 34.700 34.743 -0.043 1
1 1448 . 7 1 1 A 124 124 LYS N N 124 124.600 128.147 -3.547 1
1 1449 . 7 1 1 A 125 125 LYS H H 125 8.830 8.941 -0.111 1
1 1450 . 7 1 1 A 125 125 LYS HA H 125 4.000 3.861 0.139 1
1 1459 . 7 1 1 A 125 125 LYS CA C 125 59.000 60.246 -1.246 1
1 1460 . 7 1 1 A 125 125 LYS CB C 125 31.700 32.507 -0.807 1
1 1464 . 7 1 1 A 125 125 LYS N N 125 120.900 123.819 -2.919 1
1 1465 . 7 1 1 A 126 126 ASP H H 126 8.160 7.773 0.387 1
1 1466 . 7 1 1 A 126 126 ASP HA H 126 4.650 4.446 0.204 1
1 1469 . 7 1 1 A 126 126 ASP CA C 126 53.100 56.489 -3.389 1
1 1470 . 7 1 1 A 126 126 ASP CB C 126 40.300 41.888 -1.588 1
1 1471 . 7 1 1 A 126 126 ASP N N 126 113.200 118.503 -5.303 1
1 1472 . 7 1 1 A 127 127 GLY H H 127 7.370 7.725 -0.355 1
1 1473 . 7 1 1 A 127 127 GLY HA2 H 127 4.300 4.046 0.254 1
1 1474 . 7 1 1 A 127 127 GLY HA3 H 127 3.900 4.056 -0.156 1
1 1475 . 7 1 1 A 127 127 GLY CA C 127 45.200 45.436 -0.236 1
1 1476 . 7 1 1 A 127 127 GLY N N 127 107.600 103.587 4.013 1
1 1477 . 7 1 1 A 128 128 VAL H H 128 8.130 8.389 -0.259 1
1 1478 . 7 1 1 A 128 128 VAL HA H 128 4.900 5.137 -0.237 1
1 1486 . 7 1 1 A 128 128 VAL CA C 128 60.900 59.174 1.726 1
1 1487 . 7 1 1 A 128 128 VAL CB C 128 34.000 35.783 -1.783 1
1 1490 . 7 1 1 A 128 128 VAL N N 128 118.900 118.457 0.443 1
1 1491 . 7 1 1 A 129 129 ASP H H 129 9.250 9.050 0.200 1
1 1492 . 7 1 1 A 129 129 ASP HA H 129 5.220 5.396 -0.176 1
1 1495 . 7 1 1 A 129 129 ASP CA C 129 52.300 52.617 -0.317 1
1 1496 . 7 1 1 A 129 129 ASP CB C 129 43.600 44.640 -1.040 1
1 1497 . 7 1 1 A 129 129 ASP N N 129 126.500 128.235 -1.735 1
1 1498 . 7 1 1 A 130 130 GLU H H 130 8.900 8.913 -0.013 1
1 1499 . 7 1 1 A 130 130 GLU HA H 130 4.420 4.249 0.171 1
1 1504 . 7 1 1 A 130 130 GLU CA C 130 56.400 56.347 0.053 1
1 1505 . 7 1 1 A 130 130 GLU CB C 130 29.800 29.972 -0.172 1
1 1507 . 7 1 1 A 130 130 GLU N N 130 124.000 124.069 -0.069 1
1 1508 . 7 1 1 A 131 131 GLU H H 131 8.860 8.848 0.012 1
1 1509 . 7 1 1 A 131 131 GLU HA H 131 4.430 4.928 -0.498 1
1 1514 . 7 1 1 A 131 131 GLU CA C 131 53.500 55.060 -1.560 1
1 1515 . 7 1 1 A 131 131 GLU CB C 131 32.500 31.987 0.513 1
1 1517 . 7 1 1 A 131 131 GLU N N 131 129.200 125.412 3.788 1
1 1518 . 7 1 1 A 132 132 GLU H H 132 8.610 8.680 -0.070 1
1 1519 . 7 1 1 A 132 132 GLU HA H 132 4.050 4.642 -0.592 1
1 1524 . 7 1 1 A 132 132 GLU CA C 132 57.100 56.035 1.065 1
1 1525 . 7 1 1 A 132 132 GLU CB C 132 30.100 31.010 -0.910 1
1 1527 . 7 1 1 A 132 132 GLU N N 132 126.400 126.140 0.260 1
1 1528 . 7 1 1 A 133 133 ILE H H 133 8.200 8.734 -0.534 1
1 1529 . 7 1 1 A 133 133 ILE HA H 133 4.740 4.481 0.259 1
1 1539 . 7 1 1 A 133 133 ILE CA C 133 60.000 59.946 0.054 1
1 1540 . 7 1 1 A 133 133 ILE CB C 133 39.300 37.802 1.498 1
1 1544 . 7 1 1 A 133 133 ILE N N 133 124.500 126.494 -1.994 1
1 1545 . 7 1 1 A 134 134 ILE H H 134 9.000 9.815 -0.815 1
1 1546 . 7 1 1 A 134 134 ILE HA H 134 4.190 4.692 -0.502 1
1 1556 . 7 1 1 A 134 134 ILE CA C 134 59.000 60.142 -1.142 1
1 1557 . 7 1 1 A 134 134 ILE CB C 134 38.300 38.257 0.043 1
1 1561 . 7 1 1 A 134 134 ILE N N 134 130.900 128.626 2.274 1
1 1562 . 7 1 1 A 135 135 LEU H H 135 8.360 9.104 -0.744 1
1 1563 . 7 1 1 A 135 135 LEU HA H 135 5.190 5.114 0.076 1
1 1573 . 7 1 1 A 135 135 LEU CA C 135 52.700 53.841 -1.141 1
1 1574 . 7 1 1 A 135 135 LEU CB C 135 42.800 42.963 -0.163 1
1 1578 . 7 1 1 A 135 135 LEU N N 135 127.100 128.736 -1.636 1
1 1579 . 7 1 1 A 136 136 LYS H H 136 8.790 9.140 -0.350 1
1 1580 . 7 1 1 A 136 136 LYS HA H 136 4.330 4.630 -0.300 1
1 1589 . 7 1 1 A 136 136 LYS CA C 136 55.600 54.548 1.052 1
1 1590 . 7 1 1 A 136 136 LYS CB C 136 34.600 34.751 -0.151 1
1 1594 . 7 1 1 A 136 136 LYS N N 136 125.100 124.471 0.629 1
1 1595 . 7 1 1 A 137 137 GLU H H 137 8.850 8.914 -0.064 1
1 1596 . 7 1 1 A 137 137 GLU HA H 137 4.240 4.310 -0.070 1
1 1601 . 7 1 1 A 137 137 GLU CA C 137 57.600 58.027 -0.427 1
1 1602 . 7 1 1 A 137 137 GLU CB C 137 29.900 30.920 -1.020 1
1 1604 . 7 1 1 A 137 137 GLU N N 137 121.100 121.613 -0.513 1
1 1605 . 7 1 1 A 138 138 GLU H H 138 8.150 7.848 0.302 1
1 1606 . 7 1 1 A 138 138 GLU HA H 138 4.370 4.657 -0.287 1
1 1611 . 7 1 1 A 138 138 GLU CA C 138 55.800 55.435 0.365 1
1 1612 . 7 1 1 A 138 138 GLU CB C 138 30.700 33.141 -2.441 1
1 1614 . 7 1 1 A 138 138 GLU N N 138 119.300 118.952 0.348 1
1 1615 . 7 1 1 A 139 139 LEU H H 139 8.240 8.624 -0.384 1
1 1616 . 7 1 1 A 139 139 LEU HA H 139 4.180 4.505 -0.325 1
1 1626 . 7 1 1 A 139 139 LEU CA C 139 55.400 54.488 0.912 1
1 1627 . 7 1 1 A 139 139 LEU CB C 139 42.300 42.486 -0.186 1
1 1631 . 7 1 1 A 139 139 LEU N N 139 122.800 123.224 -0.424 1
1 1632 . 7 1 1 A 140 140 GLU H H 140 8.250 8.694 -0.444 1
1 1633 . 7 1 1 A 140 140 GLU HA H 140 4.150 4.441 -0.291 1
1 1638 . 7 1 1 A 140 140 GLU CA C 140 56.400 56.149 0.251 1
1 1639 . 7 1 1 A 140 140 GLU CB C 140 29.900 28.628 1.272 1
1 1641 . 7 1 1 A 140 140 GLU N N 140 120.700 121.025 -0.325 1
1 1642 . 7 1 1 A 141 141 HIS H H 141 8.400 8.417 -0.017 1
1 13 . 8 1 1 A 2 2 ILE H H 2 8.780 8.390 0.390 1
1 14 . 8 1 1 A 2 2 ILE HA H 2 5.060 4.965 0.095 1
1 24 . 8 1 1 A 2 2 ILE CA C 2 58.500 59.099 -0.599 1
1 25 . 8 1 1 A 2 2 ILE CB C 2 41.300 41.412 -0.112 1
1 29 . 8 1 1 A 2 2 ILE N N 2 124.600 124.692 -0.092 1
1 30 . 8 1 1 A 3 3 THR H H 3 8.280 8.936 -0.656 1
1 31 . 8 1 1 A 3 3 THR HA H 3 5.350 5.443 -0.093 1
1 36 . 8 1 1 A 3 3 THR CA C 3 60.900 61.835 -0.935 1
1 37 . 8 1 1 A 3 3 THR CB C 3 69.900 70.327 -0.427 1
1 39 . 8 1 1 A 3 3 THR N N 3 123.200 124.094 -0.894 1
1 40 . 8 1 1 A 4 4 LEU H H 4 8.710 8.891 -0.181 1
1 41 . 8 1 1 A 4 4 LEU HA H 4 5.040 5.019 0.021 1
1 51 . 8 1 1 A 4 4 LEU CA C 4 53.800 53.430 0.370 1
1 52 . 8 1 1 A 4 4 LEU CB C 4 45.800 46.094 -0.294 1
1 56 . 8 1 1 A 4 4 LEU N N 4 127.600 126.753 0.847 1
1 57 . 8 1 1 A 5 5 THR H H 5 8.440 8.291 0.149 1
1 58 . 8 1 1 A 5 5 THR HA H 5 5.040 5.086 -0.046 1
1 63 . 8 1 1 A 5 5 THR CA C 5 59.300 59.736 -0.436 1
1 64 . 8 1 1 A 5 5 THR CB C 5 71.000 71.859 -0.859 1
1 66 . 8 1 1 A 5 5 THR N N 5 109.500 111.477 -1.977 1
1 67 . 8 1 1 A 6 6 LYS H H 6 8.730 9.361 -0.631 1
1 68 . 8 1 1 A 6 6 LYS HA H 6 3.810 3.925 -0.115 1
1 77 . 8 1 1 A 6 6 LYS CA C 6 60.000 60.396 -0.396 1
1 78 . 8 1 1 A 6 6 LYS CB C 6 32.000 31.989 0.011 1
1 82 . 8 1 1 A 6 6 LYS N N 6 121.500 122.594 -1.094 1
1 83 . 8 1 1 A 7 7 LYS H H 7 8.290 7.989 0.301 1
1 84 . 8 1 1 A 7 7 LYS HA H 7 3.990 3.928 0.062 1
1 93 . 8 1 1 A 7 7 LYS CA C 7 59.200 59.716 -0.516 1
1 94 . 8 1 1 A 7 7 LYS CB C 7 32.400 32.234 0.166 1
1 98 . 8 1 1 A 7 7 LYS N N 7 118.800 118.673 0.127 1
1 99 . 8 1 1 A 8 8 GLN H H 8 7.650 7.842 -0.192 1
1 100 . 8 1 1 A 8 8 GLN HA H 8 3.890 3.954 -0.064 1
1 107 . 8 1 1 A 8 8 GLN CA C 8 58.100 59.096 -0.996 1
1 108 . 8 1 1 A 8 8 GLN CB C 8 27.400 28.242 -0.842 1
1 110 . 8 1 1 A 8 8 GLN N N 8 119.800 118.524 1.276 1
1 112 . 8 1 1 A 9 9 MET H H 9 8.130 7.943 0.187 1
1 113 . 8 1 1 A 9 9 MET HA H 9 4.130 3.983 0.147 1
1 121 . 8 1 1 A 9 9 MET CA C 9 57.500 58.269 -0.769 1
1 122 . 8 1 1 A 9 9 MET CB C 9 30.900 31.998 -1.098 1
1 125 . 8 1 1 A 9 9 MET N N 9 118.300 119.768 -1.468 1
1 126 . 8 1 1 A 10 10 GLU H H 10 8.460 8.263 0.197 1
1 127 . 8 1 1 A 10 10 GLU HA H 10 3.890 3.929 -0.039 1
1 132 . 8 1 1 A 10 10 GLU CA C 10 59.100 59.530 -0.430 1
1 133 . 8 1 1 A 10 10 GLU CB C 10 28.500 29.257 -0.757 1
1 135 . 8 1 1 A 10 10 GLU N N 10 118.500 118.041 0.459 1
1 136 . 8 1 1 A 11 11 GLU H H 11 8.200 8.512 -0.312 1
1 137 . 8 1 1 A 11 11 GLU HA H 11 4.070 3.998 0.072 1
1 142 . 8 1 1 A 11 11 GLU CA C 11 59.200 58.911 0.289 1
1 143 . 8 1 1 A 11 11 GLU CB C 11 28.900 29.302 -0.402 1
1 145 . 8 1 1 A 11 11 GLU N N 11 120.800 120.524 0.276 1
1 146 . 8 1 1 A 12 12 MET H H 12 7.780 8.068 -0.288 1
1 147 . 8 1 1 A 12 12 MET HA H 12 3.390 3.916 -0.526 1
1 155 . 8 1 1 A 12 12 MET CA C 12 60.600 58.229 2.371 1
1 156 . 8 1 1 A 12 12 MET CB C 12 33.900 33.041 0.859 1
1 159 . 8 1 1 A 12 12 MET N N 12 119.300 118.755 0.545 1
1 160 . 8 1 1 A 13 13 LEU H H 13 8.340 8.781 -0.441 1
1 161 . 8 1 1 A 13 13 LEU HA H 13 3.770 3.971 -0.201 1
1 171 . 8 1 1 A 13 13 LEU CA C 13 58.000 57.820 0.180 1
1 172 . 8 1 1 A 13 13 LEU CB C 13 41.400 41.107 0.293 1
1 176 . 8 1 1 A 13 13 LEU N N 13 118.600 119.665 -1.065 1
1 177 . 8 1 1 A 14 14 ALA H H 14 8.620 8.757 -0.137 1
1 178 . 8 1 1 A 14 14 ALA HA H 14 4.100 4.066 0.034 1
1 182 . 8 1 1 A 14 14 ALA CA C 14 55.200 55.246 -0.046 1
1 183 . 8 1 1 A 14 14 ALA CB C 14 17.800 18.156 -0.356 1
1 184 . 8 1 1 A 14 14 ALA N N 14 121.500 121.611 -0.111 1
1 185 . 8 1 1 A 15 15 HIS H H 15 7.780 7.699 0.081 1
1 186 . 8 1 1 A 15 15 HIS HA H 15 4.460 4.229 0.231 1
1 190 . 8 1 1 A 15 15 HIS CA C 15 59.000 59.776 -0.776 1
1 191 . 8 1 1 A 15 15 HIS CB C 15 29.300 29.362 -0.062 1
1 193 . 8 1 1 A 15 15 HIS N N 15 116.700 118.132 -1.432 1
1 194 . 8 1 1 A 16 16 ALA H H 16 8.390 8.533 -0.143 1
1 195 . 8 1 1 A 16 16 ALA HA H 16 4.100 3.949 0.151 1
1 199 . 8 1 1 A 16 16 ALA CA C 16 54.500 55.376 -0.876 1
1 200 . 8 1 1 A 16 16 ALA CB C 16 18.200 18.331 -0.131 1
1 201 . 8 1 1 A 16 16 ALA N N 16 120.000 121.144 -1.144 1
1 202 . 8 1 1 A 17 17 ARG H H 17 8.820 8.706 0.114 1
1 203 . 8 1 1 A 17 17 ARG HA H 17 3.890 4.137 -0.247 1
1 210 . 8 1 1 A 17 17 ARG CA C 17 59.900 59.893 0.007 1
1 211 . 8 1 1 A 17 17 ARG CB C 17 30.100 29.845 0.255 1
1 214 . 8 1 1 A 17 17 ARG N N 17 118.900 117.610 1.290 1
1 215 . 8 1 1 A 18 18 GLN H H 18 8.130 7.828 0.302 1
1 216 . 8 1 1 A 18 18 GLN HA H 18 4.060 4.077 -0.017 1
1 223 . 8 1 1 A 18 18 GLN CA C 18 57.900 58.529 -0.629 1
1 224 . 8 1 1 A 18 18 GLN CB C 18 28.000 28.559 -0.559 1
1 226 . 8 1 1 A 18 18 GLN N N 18 118.100 119.417 -1.317 1
1 228 . 8 1 1 A 19 19 ALA H H 19 7.090 7.747 -0.657 1
1 229 . 8 1 1 A 19 19 ALA HA H 19 4.220 4.072 0.148 1
1 233 . 8 1 1 A 19 19 ALA CA C 19 52.300 54.221 -1.921 1
1 234 . 8 1 1 A 19 19 ALA CB C 19 20.600 18.236 2.364 1
1 235 . 8 1 1 A 19 19 ALA N N 19 117.600 120.494 -2.894 1
1 236 . 8 1 1 A 20 20 LEU H H 20 7.020 7.167 -0.147 1
1 237 . 8 1 1 A 20 20 LEU HA H 20 4.110 4.368 -0.258 1
1 247 . 8 1 1 A 20 20 LEU CA C 20 54.600 54.010 0.590 1
1 248 . 8 1 1 A 20 20 LEU CB C 20 40.400 41.599 -1.199 1
1 252 . 8 1 1 A 20 20 LEU N N 20 117.900 122.075 -4.175 1
1 253 . 8 1 1 A 21 21 PRO HA H 21 4.320 4.630 -0.310 1
1 260 . 8 1 1 A 21 21 PRO CA C 21 63.700 63.721 -0.021 1
1 261 . 8 1 1 A 21 21 PRO CB C 21 35.000 32.373 2.627 1
1 264 . 8 1 1 A 22 22 ASN H H 22 8.690 8.479 0.211 1
1 265 . 8 1 1 A 22 22 ASN HA H 22 4.570 4.907 -0.337 1
1 270 . 8 1 1 A 22 22 ASN CA C 22 52.400 53.288 -0.888 1
1 271 . 8 1 1 A 22 22 ASN CB C 22 40.000 38.935 1.065 1
1 272 . 8 1 1 A 22 22 ASN N N 22 122.000 119.128 2.872 1
1 274 . 8 1 1 A 23 23 GLU H H 23 8.540 8.152 0.388 1
1 275 . 8 1 1 A 23 23 GLU HA H 23 4.050 4.473 -0.423 1
1 280 . 8 1 1 A 23 23 GLU CA C 23 57.300 58.846 -1.546 1
1 281 . 8 1 1 A 23 23 GLU CB C 23 29.000 28.976 0.024 1
1 283 . 8 1 1 A 23 23 GLU N N 23 116.100 117.392 -1.292 1
1 284 . 8 1 1 A 24 24 ALA H H 24 8.390 9.213 -0.823 1
1 285 . 8 1 1 A 24 24 ALA HA H 24 5.040 5.396 -0.356 1
1 289 . 8 1 1 A 24 24 ALA CA C 24 48.900 50.912 -2.012 1
1 290 . 8 1 1 A 24 24 ALA CB C 24 23.200 21.422 1.778 1
1 291 . 8 1 1 A 24 24 ALA N N 24 124.800 124.958 -0.158 1
1 292 . 8 1 1 A 25 25 CYS H H 25 8.910 9.181 -0.271 1
1 293 . 8 1 1 A 25 25 CYS HA H 25 5.000 5.076 -0.076 1
1 296 . 8 1 1 A 25 25 CYS CA C 25 55.000 57.090 -2.090 1
1 297 . 8 1 1 A 25 25 CYS CB C 25 32.600 31.903 0.697 1
1 298 . 8 1 1 A 25 25 CYS N N 25 111.700 117.692 -5.992 1
1 299 . 8 1 1 A 26 26 GLY H H 26 7.110 7.851 -0.741 1
1 300 . 8 1 1 A 26 26 GLY HA2 H 26 3.820 3.767 0.053 1
1 301 . 8 1 1 A 26 26 GLY HA3 H 26 4.070 4.005 0.065 1
1 302 . 8 1 1 A 26 26 GLY CA C 26 46.500 45.377 1.123 1
1 303 . 8 1 1 A 26 26 GLY N N 26 103.200 106.224 -3.024 1
1 304 . 8 1 1 A 27 27 LEU H H 27 8.830 8.684 0.146 1
1 305 . 8 1 1 A 27 27 LEU HA H 27 5.200 5.234 -0.034 1
1 315 . 8 1 1 A 27 27 LEU CA C 27 53.200 53.258 -0.058 1
1 316 . 8 1 1 A 27 27 LEU CB C 27 46.600 45.746 0.854 1
1 320 . 8 1 1 A 27 27 LEU N N 27 116.700 121.063 -4.363 1
1 321 . 8 1 1 A 28 28 LEU H H 28 8.060 8.919 -0.859 1
1 322 . 8 1 1 A 28 28 LEU HA H 28 5.200 5.219 -0.019 1
1 332 . 8 1 1 A 28 28 LEU CA C 28 53.400 52.869 0.531 1
1 333 . 8 1 1 A 28 28 LEU CB C 28 44.900 44.663 0.237 1
1 337 . 8 1 1 A 28 28 LEU N N 28 118.200 122.126 -3.926 1
1 338 . 8 1 1 A 29 29 GLY H H 29 9.210 8.919 0.291 1
1 339 . 8 1 1 A 29 29 GLY HA2 H 29 3.750 4.309 -0.559 1
1 340 . 8 1 1 A 29 29 GLY HA3 H 29 5.800 4.314 1.486 1
1 341 . 8 1 1 A 29 29 GLY CA C 29 43.600 44.434 -0.834 1
1 342 . 8 1 1 A 29 29 GLY N N 29 109.500 112.055 -2.555 1
1 343 . 8 1 1 A 30 30 GLY H H 30 9.520 8.412 1.108 1
1 344 . 8 1 1 A 30 30 GLY HA2 H 30 3.210 3.719 -0.509 1
1 345 . 8 1 1 A 30 30 GLY HA3 H 30 4.800 4.188 0.612 1
1 346 . 8 1 1 A 30 30 GLY CA C 30 47.500 45.864 1.636 1
1 347 . 8 1 1 A 30 30 GLY N N 30 111.700 108.749 2.951 1
1 348 . 8 1 1 A 31 31 ARG H H 31 8.900 8.413 0.487 1
1 349 . 8 1 1 A 31 31 ARG HA H 31 5.170 5.248 -0.078 1
1 356 . 8 1 1 A 31 31 ARG CA C 31 54.200 54.370 -0.170 1
1 357 . 8 1 1 A 31 31 ARG CB C 31 34.200 34.279 -0.079 1
1 360 . 8 1 1 A 31 31 ARG N N 31 123.000 122.631 0.369 1
1 361 . 8 1 1 A 32 32 ARG H H 32 9.070 9.173 -0.103 1
1 362 . 8 1 1 A 32 32 ARG HA H 32 5.140 5.631 -0.491 1
1 369 . 8 1 1 A 32 32 ARG CA C 32 54.700 54.507 0.193 1
1 370 . 8 1 1 A 32 32 ARG CB C 32 33.700 33.779 -0.079 1
1 373 . 8 1 1 A 32 32 ARG N N 32 121.500 119.743 1.757 1
1 374 . 8 1 1 A 33 33 ASP H H 33 8.640 8.878 -0.238 1
1 375 . 8 1 1 A 33 33 ASP HA H 33 4.850 5.144 -0.294 1
1 378 . 8 1 1 A 33 33 ASP CA C 33 53.400 53.305 0.095 1
1 379 . 8 1 1 A 33 33 ASP CB C 33 42.100 43.465 -1.365 1
1 380 . 8 1 1 A 33 33 ASP N N 33 124.200 122.900 1.300 1
1 381 . 8 1 1 A 34 34 GLY H H 34 9.020 9.108 -0.088 1
1 382 . 8 1 1 A 34 34 GLY HA2 H 34 3.670 3.900 -0.230 1
1 383 . 8 1 1 A 34 34 GLY HA3 H 34 4.000 3.904 0.096 1
1 384 . 8 1 1 A 34 34 GLY CA C 34 47.200 47.351 -0.151 1
1 385 . 8 1 1 A 34 34 GLY N N 34 115.900 116.036 -0.136 1
1 386 . 8 1 1 A 35 35 ASP H H 35 9.070 8.365 0.705 1
1 387 . 8 1 1 A 35 35 ASP HA H 35 4.650 4.881 -0.231 1
1 390 . 8 1 1 A 35 35 ASP CA C 35 54.800 53.416 1.384 1
1 391 . 8 1 1 A 35 35 ASP CB C 35 41.000 42.597 -1.597 1
1 392 . 8 1 1 A 35 35 ASP N N 35 127.300 125.022 2.278 1
1 393 . 8 1 1 A 36 36 ASP H H 36 8.070 7.520 0.550 1
1 394 . 8 1 1 A 36 36 ASP HA H 36 4.950 4.738 0.212 1
1 397 . 8 1 1 A 36 36 ASP CA C 36 53.700 53.305 0.395 1
1 398 . 8 1 1 A 36 36 ASP CB C 36 41.700 41.782 -0.082 1
1 399 . 8 1 1 A 36 36 ASP N N 36 120.600 119.796 0.804 1
1 400 . 8 1 1 A 37 37 ARG H H 37 8.070 8.031 0.039 1
1 401 . 8 1 1 A 37 37 ARG HA H 37 4.850 5.121 -0.271 1
1 408 . 8 1 1 A 37 37 ARG CA C 37 55.400 54.168 1.232 1
1 409 . 8 1 1 A 37 37 ARG CB C 37 32.900 33.916 -1.016 1
1 412 . 8 1 1 A 37 37 ARG N N 37 120.800 118.877 1.923 1
1 413 . 8 1 1 A 38 38 TRP H H 38 9.380 9.589 -0.209 1
1 414 . 8 1 1 A 38 38 TRP HA H 38 4.840 5.374 -0.534 1
1 423 . 8 1 1 A 38 38 TRP CA C 38 57.000 55.469 1.531 1
1 424 . 8 1 1 A 38 38 TRP CB C 38 30.100 31.325 -1.225 1
1 430 . 8 1 1 A 38 38 TRP N N 38 124.900 122.595 2.305 1
1 432 . 8 1 1 A 39 39 VAL H H 39 8.450 9.227 -0.777 1
1 433 . 8 1 1 A 39 39 VAL HA H 39 3.390 4.018 -0.628 1
1 441 . 8 1 1 A 39 39 VAL CA C 39 64.500 63.112 1.388 1
1 442 . 8 1 1 A 39 39 VAL CB C 39 31.500 30.950 0.550 1
1 445 . 8 1 1 A 39 39 VAL N N 39 124.400 125.500 -1.100 1
1 446 . 8 1 1 A 40 40 GLU H H 40 9.080 8.359 0.721 1
1 447 . 8 1 1 A 40 40 GLU HA H 40 4.350 4.550 -0.200 1
1 452 . 8 1 1 A 40 40 GLU CA C 40 54.900 56.633 -1.733 1
1 453 . 8 1 1 A 40 40 GLU CB C 40 29.500 31.599 -2.099 1
1 455 . 8 1 1 A 40 40 GLU N N 40 124.200 126.856 -2.656 1
1 456 . 8 1 1 A 41 41 ARG H H 41 7.610 7.211 0.399 1
1 457 . 8 1 1 A 41 41 ARG HA H 41 4.070 4.676 -0.606 1
1 464 . 8 1 1 A 41 41 ARG CA C 41 56.800 55.307 1.493 1
1 465 . 8 1 1 A 41 41 ARG CB C 41 33.600 33.230 0.370 1
1 468 . 8 1 1 A 41 41 ARG N N 41 120.000 120.214 -0.214 1
1 469 . 8 1 1 A 42 42 VAL H H 42 8.460 8.696 -0.236 1
1 470 . 8 1 1 A 42 42 VAL HA H 42 4.300 4.566 -0.266 1
1 478 . 8 1 1 A 42 42 VAL CA C 42 60.900 61.115 -0.215 1
1 479 . 8 1 1 A 42 42 VAL CB C 42 32.900 33.300 -0.400 1
1 482 . 8 1 1 A 42 42 VAL N N 42 125.600 127.145 -1.545 1
1 483 . 8 1 1 A 43 43 TYR H H 43 9.070 8.734 0.336 1
1 484 . 8 1 1 A 43 43 TYR HA H 43 4.930 5.278 -0.348 1
1 491 . 8 1 1 A 43 43 TYR CA C 43 54.600 54.898 -0.298 1
1 492 . 8 1 1 A 43 43 TYR CB C 43 38.500 39.004 -0.504 1
1 495 . 8 1 1 A 43 43 TYR N N 43 124.800 126.180 -1.380 1
1 496 . 8 1 1 A 44 44 PRO HA H 44 4.260 4.749 -0.489 1
1 503 . 8 1 1 A 44 44 PRO CA C 44 63.200 62.425 0.775 1
1 504 . 8 1 1 A 44 44 PRO CB C 44 30.100 31.520 -1.420 1
1 507 . 8 1 1 A 45 45 LEU H H 45 8.270 8.351 -0.081 1
1 508 . 8 1 1 A 45 45 LEU HA H 45 4.930 4.701 0.229 1
1 518 . 8 1 1 A 45 45 LEU CA C 45 53.800 53.796 0.004 1
1 519 . 8 1 1 A 45 45 LEU CB C 45 45.600 42.767 2.833 1
1 523 . 8 1 1 A 45 45 LEU N N 45 125.800 124.227 1.573 1
1 524 . 8 1 1 A 46 46 ASN H H 46 9.120 8.581 0.539 1
1 525 . 8 1 1 A 46 46 ASN HA H 46 4.630 5.061 -0.431 1
1 530 . 8 1 1 A 46 46 ASN CA C 46 56.000 53.278 2.722 1
1 531 . 8 1 1 A 46 46 ASN CB C 46 39.000 39.621 -0.621 1
1 532 . 8 1 1 A 46 46 ASN N N 46 119.000 119.562 -0.562 1
1 534 . 8 1 1 A 47 47 ASN H H 47 8.460 8.612 -0.152 1
1 535 . 8 1 1 A 47 47 ASN HA H 47 5.260 5.221 0.039 1
1 540 . 8 1 1 A 47 47 ASN CA C 47 51.200 52.435 -1.235 1
1 541 . 8 1 1 A 47 47 ASN CB C 47 37.700 39.314 -1.614 1
1 542 . 8 1 1 A 47 47 ASN N N 47 118.500 122.360 -3.860 1
1 544 . 8 1 1 A 48 48 LEU H H 48 8.890 8.791 0.099 1
1 545 . 8 1 1 A 48 48 LEU HA H 48 4.070 4.198 -0.128 1
1 555 . 8 1 1 A 48 48 LEU CA C 48 56.800 56.778 0.022 1
1 556 . 8 1 1 A 48 48 LEU CB C 48 41.600 42.081 -0.481 1
1 560 . 8 1 1 A 48 48 LEU N N 48 127.100 128.003 -0.903 1
1 561 . 8 1 1 A 49 49 ASP H H 49 7.820 7.746 0.074 1
1 562 . 8 1 1 A 49 49 ASP HA H 49 4.430 4.752 -0.322 1
1 565 . 8 1 1 A 49 49 ASP CA C 49 54.500 54.429 0.071 1
1 566 . 8 1 1 A 49 49 ASP CB C 49 40.100 42.572 -2.472 1
1 567 . 8 1 1 A 49 49 ASP N N 49 115.700 119.498 -3.798 1
1 568 . 8 1 1 A 50 50 GLN H H 50 7.770 8.736 -0.966 1
1 569 . 8 1 1 A 50 50 GLN HA H 50 3.880 4.321 -0.441 1
1 576 . 8 1 1 A 50 50 GLN CA C 50 56.000 55.928 0.072 1
1 577 . 8 1 1 A 50 50 GLN CB C 50 27.400 28.334 -0.934 1
1 579 . 8 1 1 A 50 50 GLN N N 50 115.300 122.782 -7.482 1
1 581 . 8 1 1 A 51 51 SER H H 51 6.370 7.750 -1.380 1
1 582 . 8 1 1 A 51 51 SER HA H 51 5.210 4.477 0.733 1
1 585 . 8 1 1 A 51 51 SER CA C 51 53.700 57.572 -3.872 1
1 586 . 8 1 1 A 51 51 SER CB C 51 66.100 62.902 3.198 1
1 587 . 8 1 1 A 51 51 SER N N 51 109.000 118.042 -9.042 1
1 588 . 8 1 1 A 52 52 PRO HA H 52 4.830 4.935 -0.105 1
1 595 . 8 1 1 A 52 52 PRO CA C 52 64.000 64.065 -0.065 1
1 596 . 8 1 1 A 52 52 PRO CB C 52 33.300 32.118 1.182 1
1 599 . 8 1 1 A 53 53 GLU H H 53 8.320 8.174 0.146 1
1 600 . 8 1 1 A 53 53 GLU HA H 53 4.510 4.661 -0.151 1
1 605 . 8 1 1 A 53 53 GLU CA C 53 55.700 57.652 -1.952 1
1 606 . 8 1 1 A 53 53 GLU CB C 53 32.400 32.425 -0.025 1
1 608 . 8 1 1 A 53 53 GLU N N 53 113.900 117.087 -3.187 1
1 609 . 8 1 1 A 54 54 HIS H H 54 7.070 8.239 -1.169 1
1 610 . 8 1 1 A 54 54 HIS HA H 54 4.750 5.442 -0.692 1
1 614 . 8 1 1 A 54 54 HIS CA C 54 54.100 57.384 -3.284 1
1 615 . 8 1 1 A 54 54 HIS CB C 54 31.100 30.378 0.722 1
1 617 . 8 1 1 A 54 54 HIS N N 54 112.500 118.844 -6.344 1
1 618 . 8 1 1 A 55 55 PHE H H 55 7.900 8.942 -1.042 1
1 619 . 8 1 1 A 55 55 PHE HA H 55 5.580 5.893 -0.313 1
1 627 . 8 1 1 A 55 55 PHE CA C 55 55.400 55.168 0.232 1
1 628 . 8 1 1 A 55 55 PHE CB C 55 41.200 42.825 -1.625 1
1 632 . 8 1 1 A 55 55 PHE N N 55 114.900 118.760 -3.860 1
1 633 . 8 1 1 A 56 56 SER H H 56 7.690 9.306 -1.616 1
1 634 . 8 1 1 A 56 56 SER HA H 56 4.300 4.755 -0.455 1
1 637 . 8 1 1 A 56 56 SER CA C 56 57.800 57.479 0.321 1
1 638 . 8 1 1 A 56 56 SER CB C 56 65.300 66.268 -0.968 1
1 639 . 8 1 1 A 56 56 SER N N 56 112.900 115.616 -2.716 1
1 640 . 8 1 1 A 57 57 MET H H 57 8.750 8.225 0.525 1
1 641 . 8 1 1 A 57 57 MET HA H 57 4.860 4.895 -0.035 1
1 649 . 8 1 1 A 57 57 MET CA C 57 54.400 54.536 -0.136 1
1 650 . 8 1 1 A 57 57 MET CB C 57 36.000 33.876 2.124 1
1 653 . 8 1 1 A 57 57 MET N N 57 120.000 120.234 -0.234 1
1 654 . 8 1 1 A 58 58 ASP H H 58 10.180 8.101 2.079 1
1 655 . 8 1 1 A 58 58 ASP HA H 58 4.740 4.707 0.033 1
1 658 . 8 1 1 A 58 58 ASP CA C 58 51.700 54.790 -3.090 1
1 659 . 8 1 1 A 58 58 ASP CB C 58 42.700 39.864 2.836 1
1 660 . 8 1 1 A 58 58 ASP N N 58 126.600 119.733 6.867 1
1 661 . 8 1 1 A 59 59 PRO HA H 59 4.400 4.592 -0.192 1
1 668 . 8 1 1 A 59 59 PRO CA C 59 65.300 64.588 0.712 1
1 669 . 8 1 1 A 59 59 PRO CB C 59 32.300 31.975 0.325 1
1 672 . 8 1 1 A 60 60 ARG H H 60 8.520 8.722 -0.202 1
1 673 . 8 1 1 A 60 60 ARG HA H 60 4.120 4.026 0.094 1
1 680 . 8 1 1 A 60 60 ARG CA C 60 59.200 59.323 -0.123 1
1 681 . 8 1 1 A 60 60 ARG CB C 60 29.500 30.011 -0.511 1
1 684 . 8 1 1 A 60 60 ARG N N 60 118.700 118.399 0.301 1
1 685 . 8 1 1 A 61 61 GLU H H 61 7.730 8.324 -0.594 1
1 686 . 8 1 1 A 61 61 GLU HA H 61 4.190 4.127 0.063 1
1 691 . 8 1 1 A 61 61 GLU CA C 61 59.000 59.052 -0.052 1
1 692 . 8 1 1 A 61 61 GLU CB C 61 30.200 29.428 0.772 1
1 694 . 8 1 1 A 61 61 GLU N N 61 119.800 119.736 0.064 1
1 695 . 8 1 1 A 62 62 GLN H H 62 8.220 7.771 0.449 1
1 696 . 8 1 1 A 62 62 GLN HA H 62 3.830 3.918 -0.088 1
1 703 . 8 1 1 A 62 62 GLN CA C 62 59.900 58.852 1.048 1
1 704 . 8 1 1 A 62 62 GLN CB C 62 29.000 28.012 0.988 1
1 706 . 8 1 1 A 62 62 GLN N N 62 118.700 119.296 -0.596 1
1 708 . 8 1 1 A 63 63 LEU H H 63 7.950 8.166 -0.216 1
1 709 . 8 1 1 A 63 63 LEU HA H 63 4.110 4.024 0.086 1
1 719 . 8 1 1 A 63 63 LEU CA C 63 58.000 58.044 -0.044 1
1 720 . 8 1 1 A 63 63 LEU CB C 63 41.400 41.523 -0.123 1
1 724 . 8 1 1 A 63 63 LEU N N 63 119.200 122.293 -3.093 1
1 725 . 8 1 1 A 64 64 THR H H 64 7.910 8.034 -0.124 1
1 726 . 8 1 1 A 64 64 THR HA H 64 3.790 3.903 -0.113 1
1 731 . 8 1 1 A 64 64 THR CA C 64 66.800 65.822 0.978 1
1 732 . 8 1 1 A 64 64 THR CB C 64 68.700 68.628 0.072 1
1 734 . 8 1 1 A 64 64 THR N N 64 116.000 114.460 1.540 1
1 735 . 8 1 1 A 65 65 ALA H H 65 7.520 7.635 -0.115 1
1 736 . 8 1 1 A 65 65 ALA HA H 65 3.970 3.697 0.273 1
1 740 . 8 1 1 A 65 65 ALA CA C 65 55.100 54.840 0.260 1
1 741 . 8 1 1 A 65 65 ALA CB C 65 17.900 18.006 -0.106 1
1 742 . 8 1 1 A 65 65 ALA N N 65 125.200 124.084 1.116 1
1 743 . 8 1 1 A 66 66 VAL H H 66 8.420 8.329 0.091 1
1 744 . 8 1 1 A 66 66 VAL HA H 66 3.840 3.347 0.493 1
1 752 . 8 1 1 A 66 66 VAL CA C 66 66.200 66.985 -0.785 1
1 753 . 8 1 1 A 66 66 VAL CB C 66 31.700 31.386 0.314 1
1 756 . 8 1 1 A 66 66 VAL N N 66 119.300 118.708 0.592 1
1 757 . 8 1 1 A 67 67 LYS H H 67 8.570 8.109 0.461 1
1 758 . 8 1 1 A 67 67 LYS HA H 67 3.960 3.969 -0.009 1
1 767 . 8 1 1 A 67 67 LYS CA C 67 60.300 59.847 0.453 1
1 768 . 8 1 1 A 67 67 LYS CB C 67 32.200 32.102 0.098 1
1 772 . 8 1 1 A 67 67 LYS N N 67 120.600 120.286 0.314 1
1 773 . 8 1 1 A 68 68 ASP H H 68 7.660 7.904 -0.244 1
1 774 . 8 1 1 A 68 68 ASP HA H 68 4.290 4.359 -0.069 1
1 777 . 8 1 1 A 68 68 ASP CA C 68 58.300 57.722 0.578 1
1 778 . 8 1 1 A 68 68 ASP CB C 68 42.700 41.101 1.599 1
1 779 . 8 1 1 A 68 68 ASP N N 68 121.500 119.770 1.730 1
1 780 . 8 1 1 A 69 69 MET H H 69 8.620 8.366 0.254 1
1 781 . 8 1 1 A 69 69 MET HA H 69 4.250 4.266 -0.016 1
1 789 . 8 1 1 A 69 69 MET CA C 69 60.300 58.832 1.468 1
1 790 . 8 1 1 A 69 69 MET CB C 69 32.700 32.054 0.646 1
1 793 . 8 1 1 A 69 69 MET N N 69 120.100 118.843 1.257 1
1 794 . 8 1 1 A 70 70 ARG H H 70 8.500 8.502 -0.002 1
1 795 . 8 1 1 A 70 70 ARG HA H 70 4.110 4.147 -0.037 1
1 802 . 8 1 1 A 70 70 ARG CA C 70 59.200 58.831 0.369 1
1 803 . 8 1 1 A 70 70 ARG CB C 70 29.600 29.759 -0.159 1
1 806 . 8 1 1 A 70 70 ARG N N 70 119.000 120.049 -1.049 1
1 807 . 8 1 1 A 71 71 LYS H H 71 8.020 7.735 0.285 1
1 808 . 8 1 1 A 71 71 LYS HA H 71 3.970 4.013 -0.043 1
1 817 . 8 1 1 A 71 71 LYS CA C 71 58.800 59.070 -0.270 1
1 818 . 8 1 1 A 71 71 LYS CB C 71 32.000 31.897 0.103 1
1 822 . 8 1 1 A 71 71 LYS N N 71 121.100 119.629 1.471 1
1 823 . 8 1 1 A 72 72 ASN H H 72 6.960 7.981 -1.021 1
1 824 . 8 1 1 A 72 72 ASN HA H 72 4.090 4.572 -0.482 1
1 829 . 8 1 1 A 72 72 ASN CA C 72 53.300 52.942 0.358 1
1 830 . 8 1 1 A 72 72 ASN CB C 72 39.000 38.723 0.277 1
1 831 . 8 1 1 A 72 72 ASN N N 72 114.600 114.095 0.505 1
1 833 . 8 1 1 A 73 73 GLY H H 73 7.560 7.699 -0.139 1
1 834 . 8 1 1 A 73 73 GLY HA2 H 73 3.890 3.754 0.136 1
1 835 . 8 1 1 A 73 73 GLY HA3 H 73 3.760 3.864 -0.104 1
1 836 . 8 1 1 A 73 73 GLY CA C 73 45.900 45.469 0.431 1
1 837 . 8 1 1 A 73 73 GLY N N 73 106.700 106.696 0.004 1
1 838 . 8 1 1 A 74 74 TRP H H 74 8.240 8.196 0.044 1
1 839 . 8 1 1 A 74 74 TRP HA H 74 5.260 4.873 0.387 1
1 848 . 8 1 1 A 74 74 TRP CA C 74 53.100 57.084 -3.984 1
1 849 . 8 1 1 A 74 74 TRP CB C 74 31.400 32.339 -0.939 1
1 855 . 8 1 1 A 74 74 TRP N N 74 120.700 120.448 0.252 1
1 857 . 8 1 1 A 75 75 VAL H H 75 9.410 9.303 0.107 1
1 858 . 8 1 1 A 75 75 VAL HA H 75 4.800 4.972 -0.172 1
1 866 . 8 1 1 A 75 75 VAL CA C 75 58.500 59.025 -0.525 1
1 867 . 8 1 1 A 75 75 VAL CB C 75 35.500 35.598 -0.098 1
1 870 . 8 1 1 A 75 75 VAL N N 75 112.100 115.879 -3.779 1
1 871 . 8 1 1 A 76 76 MET H H 76 8.800 8.772 0.028 1
1 872 . 8 1 1 A 76 76 MET HA H 76 4.650 4.551 0.099 1
1 880 . 8 1 1 A 76 76 MET CA C 76 56.900 55.726 1.174 1
1 881 . 8 1 1 A 76 76 MET CB C 76 32.600 32.958 -0.358 1
1 884 . 8 1 1 A 76 76 MET N N 76 122.400 123.028 -0.628 1
1 885 . 8 1 1 A 77 77 LEU H H 77 8.780 9.738 -0.958 1
1 886 . 8 1 1 A 77 77 LEU HA H 77 4.480 4.823 -0.343 1
1 896 . 8 1 1 A 77 77 LEU CA C 77 54.100 55.212 -1.112 1
1 897 . 8 1 1 A 77 77 LEU CB C 77 44.700 43.431 1.269 1
1 901 . 8 1 1 A 77 77 LEU N N 77 125.600 127.443 -1.843 1
1 902 . 8 1 1 A 78 78 GLY H H 78 7.590 6.995 0.595 1
1 903 . 8 1 1 A 78 78 GLY HA2 H 78 5.150 4.025 1.125 1
1 904 . 8 1 1 A 78 78 GLY HA3 H 78 3.660 4.049 -0.389 1
1 905 . 8 1 1 A 78 78 GLY CA C 78 45.700 45.657 0.043 1
1 906 . 8 1 1 A 78 78 GLY N N 78 102.900 104.571 -1.671 1
1 907 . 8 1 1 A 79 79 ASN H H 79 8.520 8.450 0.070 1
1 908 . 8 1 1 A 79 79 ASN HA H 79 5.230 5.551 -0.321 1
1 913 . 8 1 1 A 79 79 ASN CA C 79 51.100 51.564 -0.464 1
1 914 . 8 1 1 A 79 79 ASN CB C 79 41.500 42.079 -0.579 1
1 915 . 8 1 1 A 79 79 ASN N N 79 115.600 116.918 -1.318 1
1 917 . 8 1 1 A 80 80 PHE H H 80 8.410 8.630 -0.220 1
1 918 . 8 1 1 A 80 80 PHE HA H 80 6.120 6.101 0.019 1
1 926 . 8 1 1 A 80 80 PHE CA C 80 54.500 55.918 -1.418 1
1 927 . 8 1 1 A 80 80 PHE CB C 80 44.800 42.790 2.010 1
1 931 . 8 1 1 A 80 80 PHE N N 80 113.100 116.264 -3.164 1
1 932 . 8 1 1 A 81 81 HIS H H 81 8.310 9.129 -0.819 1
1 933 . 8 1 1 A 81 81 HIS HA H 81 5.300 5.231 0.069 1
1 938 . 8 1 1 A 81 81 HIS CA C 81 54.400 54.091 0.309 1
1 939 . 8 1 1 A 81 81 HIS CB C 81 30.300 32.962 -2.662 1
1 942 . 8 1 1 A 81 81 HIS N N 81 111.600 121.802 -10.202 1
1 943 . 8 1 1 A 82 82 SER H H 82 8.390 8.895 -0.505 1
1 944 . 8 1 1 A 82 82 SER HA H 82 5.510 5.427 0.083 1
1 947 . 8 1 1 A 82 82 SER CA C 82 54.800 55.458 -0.658 1
1 948 . 8 1 1 A 82 82 SER CB C 82 66.700 66.189 0.511 1
1 949 . 8 1 1 A 82 82 SER N N 82 112.700 120.421 -7.721 1
1 950 . 8 1 1 A 83 83 HIS H H 83 8.890 8.615 0.275 1
1 951 . 8 1 1 A 83 83 HIS HA H 83 5.480 5.183 0.297 1
1 956 . 8 1 1 A 83 83 HIS CA C 83 49.900 53.675 -3.775 1
1 957 . 8 1 1 A 83 83 HIS CB C 83 32.000 32.596 -0.596 1
1 960 . 8 1 1 A 83 83 HIS N N 83 115.200 118.274 -3.074 1
1 961 . 8 1 1 A 84 84 PRO HA H 84 3.940 4.416 -0.476 1
1 968 . 8 1 1 A 84 84 PRO CA C 84 65.600 64.957 0.643 1
1 969 . 8 1 1 A 84 84 PRO CB C 84 33.300 32.170 1.130 1
1 972 . 8 1 1 A 85 85 ALA H H 85 8.410 8.335 0.075 1
1 973 . 8 1 1 A 85 85 ALA HA H 85 4.670 4.462 0.208 1
1 977 . 8 1 1 A 85 85 ALA CA C 85 51.300 51.908 -0.608 1
1 978 . 8 1 1 A 85 85 ALA CB C 85 21.200 19.645 1.555 1
1 979 . 8 1 1 A 85 85 ALA N N 85 112.800 118.645 -5.845 1
1 980 . 8 1 1 A 86 86 THR H H 86 7.070 7.508 -0.438 1
1 981 . 8 1 1 A 86 86 THR HA H 86 4.960 4.989 -0.029 1
1 986 . 8 1 1 A 86 86 THR CA C 86 58.600 58.412 0.188 1
1 987 . 8 1 1 A 86 86 THR CB C 86 69.500 70.328 -0.828 1
1 989 . 8 1 1 A 86 86 THR N N 86 109.200 109.395 -0.195 1
1 990 . 8 1 1 A 87 87 PRO HA H 87 4.630 4.875 -0.245 1
1 997 . 8 1 1 A 87 87 PRO CA C 87 62.700 62.392 0.308 1
1 998 . 8 1 1 A 87 87 PRO CB C 87 33.500 32.973 0.527 1
1 1001 . 8 1 1 A 88 88 ALA H H 88 9.760 8.417 1.343 1
1 1002 . 8 1 1 A 88 88 ALA HA H 88 3.960 4.706 -0.746 1
1 1006 . 8 1 1 A 88 88 ALA CA C 88 51.700 51.703 -0.003 1
1 1007 . 8 1 1 A 88 88 ALA CB C 88 16.300 18.666 -2.366 1
1 1008 . 8 1 1 A 88 88 ALA N N 88 127.600 123.531 4.069 1
1 1009 . 8 1 1 A 89 89 ARG H H 89 7.570 8.201 -0.631 1
1 1010 . 8 1 1 A 89 89 ARG HA H 89 4.280 4.844 -0.564 1
1 1017 . 8 1 1 A 89 89 ARG CA C 89 53.200 53.481 -0.281 1
1 1018 . 8 1 1 A 89 89 ARG CB C 89 31.300 33.220 -1.920 1
1 1021 . 8 1 1 A 89 89 ARG N N 89 118.300 118.879 -0.579 1
1 1022 . 8 1 1 A 90 90 PRO HA H 90 4.510 4.609 -0.099 1
1 1029 . 8 1 1 A 90 90 PRO CA C 90 62.900 62.640 0.260 1
1 1030 . 8 1 1 A 90 90 PRO CB C 90 31.300 31.469 -0.169 1
1 1033 . 8 1 1 A 91 91 SER H H 91 9.630 8.815 0.815 1
1 1034 . 8 1 1 A 91 91 SER HA H 91 4.600 4.738 -0.138 1
1 1037 . 8 1 1 A 91 91 SER CA C 91 56.500 57.489 -0.989 1
1 1038 . 8 1 1 A 91 91 SER CB C 91 66.000 64.737 1.263 1
1 1039 . 8 1 1 A 91 91 SER N N 91 122.500 118.612 3.888 1
1 1040 . 8 1 1 A 92 92 ALA H H 92 8.910 8.981 -0.071 1
1 1041 . 8 1 1 A 92 92 ALA HA H 92 3.980 3.995 -0.015 1
1 1045 . 8 1 1 A 92 92 ALA CA C 92 55.900 55.351 0.549 1
1 1046 . 8 1 1 A 92 92 ALA CB C 92 17.800 18.282 -0.482 1
1 1047 . 8 1 1 A 92 92 ALA N N 92 123.000 123.986 -0.986 1
1 1048 . 8 1 1 A 93 93 GLU H H 93 8.370 8.188 0.182 1
1 1049 . 8 1 1 A 93 93 GLU HA H 93 4.070 3.986 0.084 1
1 1054 . 8 1 1 A 93 93 GLU CA C 93 58.900 59.319 -0.419 1
1 1055 . 8 1 1 A 93 93 GLU CB C 93 28.800 29.029 -0.229 1
1 1057 . 8 1 1 A 93 93 GLU N N 93 118.800 116.506 2.294 1
1 1058 . 8 1 1 A 94 94 ASP H H 94 7.770 8.279 -0.509 1
1 1059 . 8 1 1 A 94 94 ASP HA H 94 4.260 4.554 -0.294 1
1 1062 . 8 1 1 A 94 94 ASP CA C 94 57.100 56.913 0.187 1
1 1063 . 8 1 1 A 94 94 ASP CB C 94 40.200 40.305 -0.105 1
1 1064 . 8 1 1 A 94 94 ASP N N 94 119.200 120.316 -1.116 1
1 1065 . 8 1 1 A 95 95 LYS H H 95 7.830 8.094 -0.264 1
1 1066 . 8 1 1 A 95 95 LYS HA H 95 3.720 3.834 -0.114 1
1 1075 . 8 1 1 A 95 95 LYS CA C 95 59.500 59.470 0.030 1
1 1076 . 8 1 1 A 95 95 LYS CB C 95 31.900 32.384 -0.484 1
1 1080 . 8 1 1 A 95 95 LYS N N 95 116.400 121.154 -4.754 1
1 1081 . 8 1 1 A 96 96 ARG H H 96 7.570 7.185 0.385 1
1 1082 . 8 1 1 A 96 96 ARG HA H 96 3.940 4.020 -0.080 1
1 1089 . 8 1 1 A 96 96 ARG CA C 96 58.500 58.520 -0.020 1
1 1090 . 8 1 1 A 96 96 ARG CB C 96 30.100 29.924 0.176 1
1 1093 . 8 1 1 A 96 96 ARG N N 96 119.400 119.669 -0.269 1
1 1094 . 8 1 1 A 97 97 LEU H H 97 7.270 7.848 -0.578 1
1 1095 . 8 1 1 A 97 97 LEU HA H 97 4.030 3.493 0.537 1
1 1105 . 8 1 1 A 97 97 LEU CA C 97 54.400 53.884 0.516 1
1 1106 . 8 1 1 A 97 97 LEU CB C 97 41.600 40.876 0.724 1
1 1110 . 8 1 1 A 97 97 LEU N N 97 116.100 117.642 -1.542 1
1 1111 . 8 1 1 A 98 98 ALA H H 98 6.950 7.249 -0.299 1
1 1112 . 8 1 1 A 98 98 ALA HA H 98 4.230 4.032 0.198 1
1 1116 . 8 1 1 A 98 98 ALA CA C 98 50.800 51.284 -0.484 1
1 1117 . 8 1 1 A 98 98 ALA CB C 98 16.700 18.218 -1.518 1
1 1118 . 8 1 1 A 98 98 ALA N N 98 124.800 124.001 0.799 1
1 1119 . 8 1 1 A 99 99 PHE H H 99 7.630 8.864 -1.234 1
1 1120 . 8 1 1 A 99 99 PHE HA H 99 4.490 4.655 -0.165 1
1 1128 . 8 1 1 A 99 99 PHE CA C 99 58.200 59.051 -0.851 1
1 1129 . 8 1 1 A 99 99 PHE CB C 99 39.500 40.990 -1.490 1
1 1133 . 8 1 1 A 99 99 PHE N N 99 120.400 122.990 -2.590 1
1 1134 . 8 1 1 A 100 100 ASP H H 100 7.320 7.769 -0.449 1
1 1135 . 8 1 1 A 100 100 ASP HA H 100 5.240 5.213 0.027 1
1 1138 . 8 1 1 A 100 100 ASP CA C 100 49.900 51.527 -1.627 1
1 1139 . 8 1 1 A 100 100 ASP CB C 100 42.200 41.413 0.787 1
1 1140 . 8 1 1 A 100 100 ASP N N 100 118.200 118.462 -0.262 1
1 1141 . 8 1 1 A 101 101 PRO HA H 101 5.040 4.596 0.444 1
1 1148 . 8 1 1 A 101 101 PRO CA C 101 64.200 64.134 0.066 1
1 1149 . 8 1 1 A 101 101 PRO CB C 101 32.800 31.886 0.914 1
1 1152 . 8 1 1 A 102 102 SER H H 102 8.950 8.320 0.630 1
1 1153 . 8 1 1 A 102 102 SER HA H 102 4.530 4.640 -0.110 1
1 1156 . 8 1 1 A 102 102 SER CA C 102 59.300 58.649 0.651 1
1 1157 . 8 1 1 A 102 102 SER CB C 102 64.500 63.856 0.644 1
1 1158 . 8 1 1 A 102 102 SER N N 102 117.700 112.782 4.918 1
1 1159 . 8 1 1 A 103 103 LEU H H 103 6.850 7.807 -0.957 1
1 1160 . 8 1 1 A 103 103 LEU HA H 103 4.200 4.746 -0.546 1
1 1170 . 8 1 1 A 103 103 LEU CA C 103 53.700 53.353 0.347 1
1 1171 . 8 1 1 A 103 103 LEU CB C 103 41.800 44.348 -2.548 1
1 1175 . 8 1 1 A 103 103 LEU N N 103 121.100 122.419 -1.319 1
1 1176 . 8 1 1 A 104 104 SER H H 104 8.080 8.652 -0.572 1
1 1177 . 8 1 1 A 104 104 SER HA H 104 4.310 4.893 -0.583 1
1 1180 . 8 1 1 A 104 104 SER CA C 104 60.300 58.443 1.857 1
1 1181 . 8 1 1 A 104 104 SER CB C 104 63.300 63.861 -0.561 1
1 1182 . 8 1 1 A 104 104 SER N N 104 116.100 119.525 -3.425 1
1 1183 . 8 1 1 A 105 105 TYR H H 105 8.790 9.231 -0.441 1
1 1184 . 8 1 1 A 105 105 TYR HA H 105 4.750 5.173 -0.423 1
1 1191 . 8 1 1 A 105 105 TYR CA C 105 57.100 57.328 -0.228 1
1 1192 . 8 1 1 A 105 105 TYR CB C 105 37.700 38.475 -0.775 1
1 1195 . 8 1 1 A 105 105 TYR N N 105 122.700 127.042 -4.342 1
1 1196 . 8 1 1 A 106 106 LEU H H 106 8.750 9.272 -0.522 1
1 1197 . 8 1 1 A 106 106 LEU HA H 106 5.290 5.386 -0.096 1
1 1207 . 8 1 1 A 106 106 LEU CA C 106 56.000 53.927 2.073 1
1 1208 . 8 1 1 A 106 106 LEU CB C 106 43.400 43.390 0.010 1
1 1212 . 8 1 1 A 106 106 LEU N N 106 125.200 125.656 -0.456 1
1 1213 . 8 1 1 A 107 107 ILE H H 107 9.480 9.154 0.326 1
1 1214 . 8 1 1 A 107 107 ILE HA H 107 4.630 5.347 -0.717 1
1 1224 . 8 1 1 A 107 107 ILE CA C 107 59.700 59.899 -0.199 1
1 1225 . 8 1 1 A 107 107 ILE CB C 107 40.500 40.933 -0.433 1
1 1229 . 8 1 1 A 107 107 ILE N N 107 123.800 123.467 0.333 1
1 1230 . 8 1 1 A 108 108 ILE H H 108 7.820 9.628 -1.808 1
1 1231 . 8 1 1 A 108 108 ILE HA H 108 4.950 5.073 -0.123 1
1 1241 . 8 1 1 A 108 108 ILE CA C 108 58.600 59.991 -1.391 1
1 1242 . 8 1 1 A 108 108 ILE CB C 108 41.700 38.962 2.738 1
1 1246 . 8 1 1 A 108 108 ILE N N 108 125.200 128.788 -3.588 1
1 1247 . 8 1 1 A 109 109 SER H H 109 9.780 9.022 0.758 1
1 1248 . 8 1 1 A 109 109 SER HA H 109 5.430 4.867 0.563 1
1 1251 . 8 1 1 A 109 109 SER CA C 109 56.400 56.358 0.042 1
1 1252 . 8 1 1 A 109 109 SER CB C 109 64.900 64.204 0.696 1
1 1253 . 8 1 1 A 109 109 SER N N 109 120.300 122.042 -1.742 1
1 1254 . 8 1 1 A 110 110 LEU H H 110 8.110 8.844 -0.734 1
1 1255 . 8 1 1 A 110 110 LEU HA H 110 4.630 4.616 0.014 1
1 1265 . 8 1 1 A 110 110 LEU CA C 110 53.300 54.439 -1.139 1
1 1266 . 8 1 1 A 110 110 LEU CB C 110 41.100 41.413 -0.313 1
1 1270 . 8 1 1 A 110 110 LEU N N 110 130.700 128.688 2.012 1
1 1271 . 8 1 1 A 111 111 ALA H H 111 7.390 7.705 -0.315 1
1 1272 . 8 1 1 A 111 111 ALA HA H 111 3.920 4.458 -0.538 1
1 1276 . 8 1 1 A 111 111 ALA CA C 111 55.200 54.204 0.996 1
1 1277 . 8 1 1 A 111 111 ALA CB C 111 17.900 18.450 -0.550 1
1 1278 . 8 1 1 A 111 111 ALA N N 111 121.000 122.870 -1.870 1
1 1279 . 8 1 1 A 112 112 GLU H H 112 8.290 7.807 0.483 1
1 1280 . 8 1 1 A 112 112 GLU HA H 112 4.830 4.653 0.177 1
1 1285 . 8 1 1 A 112 112 GLU CA C 112 52.600 53.070 -0.470 1
1 1286 . 8 1 1 A 112 112 GLU CB C 112 29.300 30.368 -1.068 1
1 1288 . 8 1 1 A 112 112 GLU N N 112 116.400 117.796 -1.396 1
1 1289 . 8 1 1 A 113 113 PRO HA H 113 3.940 4.413 -0.473 1
1 1296 . 8 1 1 A 113 113 PRO CA C 113 65.600 64.444 1.156 1
1 1297 . 8 1 1 A 113 113 PRO CB C 113 31.900 31.958 -0.058 1
1 1300 . 8 1 1 A 114 114 GLN H H 114 8.610 8.553 0.057 1
1 1301 . 8 1 1 A 114 114 GLN HA H 114 4.250 4.233 0.017 1
1 1308 . 8 1 1 A 114 114 GLN CA C 114 56.100 56.942 -0.842 1
1 1309 . 8 1 1 A 114 114 GLN CB C 114 28.300 28.096 0.204 1
1 1311 . 8 1 1 A 114 114 GLN N N 114 113.500 115.032 -1.532 1
1 1313 . 8 1 1 A 115 115 LYS H H 115 8.040 7.530 0.510 1
1 1314 . 8 1 1 A 115 115 LYS HA H 115 4.620 4.683 -0.063 1
1 1323 . 8 1 1 A 115 115 LYS CA C 115 53.500 53.781 -0.281 1
1 1324 . 8 1 1 A 115 115 LYS CB C 115 33.400 33.472 -0.072 1
1 1328 . 8 1 1 A 115 115 LYS N N 115 121.000 119.567 1.433 1
1 1329 . 8 1 1 A 116 116 PRO HA H 116 4.560 4.442 0.118 1
1 1336 . 8 1 1 A 116 116 PRO CA C 116 62.900 63.094 -0.194 1
1 1337 . 8 1 1 A 116 116 PRO CB C 116 32.500 31.726 0.774 1
1 1340 . 8 1 1 A 117 117 VAL H H 117 7.850 8.171 -0.321 1
1 1341 . 8 1 1 A 117 117 VAL HA H 117 4.360 4.368 -0.008 1
1 1349 . 8 1 1 A 117 117 VAL CA C 117 61.200 61.495 -0.295 1
1 1350 . 8 1 1 A 117 117 VAL CB C 117 35.900 33.048 2.852 1
1 1353 . 8 1 1 A 117 117 VAL N N 117 120.600 124.226 -3.626 1
1 1354 . 8 1 1 A 118 118 CYS H H 118 8.820 8.967 -0.147 1
1 1355 . 8 1 1 A 118 118 CYS HA H 118 5.340 5.386 -0.046 1
1 1358 . 8 1 1 A 118 118 CYS CA C 118 56.400 57.005 -0.605 1
1 1359 . 8 1 1 A 118 118 CYS CB C 118 28.700 28.549 0.151 1
1 1360 . 8 1 1 A 118 118 CYS N N 118 127.100 125.847 1.253 1
1 1361 . 8 1 1 A 119 119 LYS H H 119 8.530 9.065 -0.535 1
1 1362 . 8 1 1 A 119 119 LYS HA H 119 4.590 4.792 -0.202 1
1 1371 . 8 1 1 A 119 119 LYS CA C 119 54.900 54.339 0.561 1
1 1372 . 8 1 1 A 119 119 LYS CB C 119 39.600 35.338 4.262 1
1 1376 . 8 1 1 A 119 119 LYS N N 119 126.400 125.514 0.886 1
1 1377 . 8 1 1 A 120 120 SER H H 120 8.220 8.535 -0.315 1
1 1378 . 8 1 1 A 120 120 SER HA H 120 4.870 5.016 -0.146 1
1 1381 . 8 1 1 A 120 120 SER CA C 120 56.300 56.288 0.012 1
1 1382 . 8 1 1 A 120 120 SER CB C 120 63.300 65.025 -1.725 1
1 1383 . 8 1 1 A 120 120 SER N N 120 114.500 117.326 -2.826 1
1 1384 . 8 1 1 A 121 121 PHE H H 121 8.450 9.420 -0.970 1
1 1385 . 8 1 1 A 121 121 PHE HA H 121 5.160 5.095 0.065 1
1 1393 . 8 1 1 A 121 121 PHE CA C 121 57.200 56.326 0.874 1
1 1394 . 8 1 1 A 121 121 PHE CB C 121 42.700 42.124 0.576 1
1 1398 . 8 1 1 A 121 121 PHE N N 121 124.400 126.042 -1.642 1
1 1399 . 8 1 1 A 122 122 LEU H H 122 9.070 9.620 -0.550 1
1 1400 . 8 1 1 A 122 122 LEU HA H 122 5.270 4.975 0.295 1
1 1410 . 8 1 1 A 122 122 LEU CA C 122 53.300 53.814 -0.514 1
1 1411 . 8 1 1 A 122 122 LEU CB C 122 42.200 42.092 0.108 1
1 1415 . 8 1 1 A 122 122 LEU N N 122 120.900 123.886 -2.986 1
1 1416 . 8 1 1 A 123 123 ILE H H 123 9.730 8.834 0.896 1
1 1417 . 8 1 1 A 123 123 ILE HA H 123 4.290 4.444 -0.154 1
1 1427 . 8 1 1 A 123 123 ILE CA C 123 61.400 60.603 0.797 1
1 1428 . 8 1 1 A 123 123 ILE CB C 123 38.000 37.570 0.430 1
1 1432 . 8 1 1 A 123 123 ILE N N 123 125.900 125.042 0.858 1
1 1433 . 8 1 1 A 124 124 LYS H H 124 8.080 9.093 -1.013 1
1 1434 . 8 1 1 A 124 124 LYS HA H 124 4.720 4.615 0.105 1
1 1443 . 8 1 1 A 124 124 LYS CA C 124 54.100 55.054 -0.954 1
1 1444 . 8 1 1 A 124 124 LYS CB C 124 34.700 34.218 0.482 1
1 1448 . 8 1 1 A 124 124 LYS N N 124 124.600 127.373 -2.773 1
1 1449 . 8 1 1 A 125 125 LYS H H 125 8.830 8.879 -0.049 1
1 1450 . 8 1 1 A 125 125 LYS HA H 125 4.000 3.941 0.059 1
1 1459 . 8 1 1 A 125 125 LYS CA C 125 59.000 59.814 -0.814 1
1 1460 . 8 1 1 A 125 125 LYS CB C 125 31.700 32.404 -0.704 1
1 1464 . 8 1 1 A 125 125 LYS N N 125 120.900 123.461 -2.561 1
1 1465 . 8 1 1 A 126 126 ASP H H 126 8.160 8.161 -0.001 1
1 1466 . 8 1 1 A 126 126 ASP HA H 126 4.650 4.833 -0.183 1
1 1469 . 8 1 1 A 126 126 ASP CA C 126 53.100 53.377 -0.277 1
1 1470 . 8 1 1 A 126 126 ASP CB C 126 40.300 41.977 -1.677 1
1 1471 . 8 1 1 A 126 126 ASP N N 126 113.200 117.645 -4.445 1
1 1472 . 8 1 1 A 127 127 GLY H H 127 7.370 7.930 -0.560 1
1 1473 . 8 1 1 A 127 127 GLY HA2 H 127 4.300 4.118 0.182 1
1 1474 . 8 1 1 A 127 127 GLY HA3 H 127 3.900 4.130 -0.230 1
1 1475 . 8 1 1 A 127 127 GLY CA C 127 45.200 44.407 0.793 1
1 1476 . 8 1 1 A 127 127 GLY N N 127 107.600 108.306 -0.706 1
1 1477 . 8 1 1 A 128 128 VAL H H 128 8.130 8.636 -0.506 1
1 1478 . 8 1 1 A 128 128 VAL HA H 128 4.900 4.998 -0.098 1
1 1486 . 8 1 1 A 128 128 VAL CA C 128 60.900 60.976 -0.076 1
1 1487 . 8 1 1 A 128 128 VAL CB C 128 34.000 34.654 -0.654 1
1 1490 . 8 1 1 A 128 128 VAL N N 128 118.900 120.989 -2.089 1
1 1491 . 8 1 1 A 129 129 ASP H H 129 9.250 9.274 -0.024 1
1 1492 . 8 1 1 A 129 129 ASP HA H 129 5.220 5.251 -0.031 1
1 1495 . 8 1 1 A 129 129 ASP CA C 129 52.300 52.940 -0.640 1
1 1496 . 8 1 1 A 129 129 ASP CB C 129 43.600 43.513 0.087 1
1 1497 . 8 1 1 A 129 129 ASP N N 129 126.500 127.517 -1.017 1
1 1498 . 8 1 1 A 130 130 GLU H H 130 8.900 8.724 0.176 1
1 1499 . 8 1 1 A 130 130 GLU HA H 130 4.420 4.903 -0.483 1
1 1504 . 8 1 1 A 130 130 GLU CA C 130 56.400 55.548 0.852 1
1 1505 . 8 1 1 A 130 130 GLU CB C 130 29.800 31.343 -1.543 1
1 1507 . 8 1 1 A 130 130 GLU N N 130 124.000 122.219 1.781 1
1 1508 . 8 1 1 A 131 131 GLU H H 131 8.860 8.638 0.222 1
1 1509 . 8 1 1 A 131 131 GLU HA H 131 4.430 4.732 -0.302 1
1 1514 . 8 1 1 A 131 131 GLU CA C 131 53.500 55.640 -2.140 1
1 1515 . 8 1 1 A 131 131 GLU CB C 131 32.500 31.392 1.108 1
1 1517 . 8 1 1 A 131 131 GLU N N 131 129.200 128.472 0.728 1
1 1518 . 8 1 1 A 132 132 GLU H H 132 8.610 8.471 0.139 1
1 1519 . 8 1 1 A 132 132 GLU HA H 132 4.050 4.583 -0.533 1
1 1524 . 8 1 1 A 132 132 GLU CA C 132 57.100 55.866 1.234 1
1 1525 . 8 1 1 A 132 132 GLU CB C 132 30.100 30.795 -0.695 1
1 1527 . 8 1 1 A 132 132 GLU N N 132 126.400 123.054 3.346 1
1 1528 . 8 1 1 A 133 133 ILE H H 133 8.200 8.675 -0.475 1
1 1529 . 8 1 1 A 133 133 ILE HA H 133 4.740 4.586 0.154 1
1 1539 . 8 1 1 A 133 133 ILE CA C 133 60.000 59.583 0.417 1
1 1540 . 8 1 1 A 133 133 ILE CB C 133 39.300 38.709 0.591 1
1 1544 . 8 1 1 A 133 133 ILE N N 133 124.500 124.225 0.275 1
1 1545 . 8 1 1 A 134 134 ILE H H 134 9.000 9.072 -0.072 1
1 1546 . 8 1 1 A 134 134 ILE HA H 134 4.190 4.916 -0.726 1
1 1556 . 8 1 1 A 134 134 ILE CA C 134 59.000 59.609 -0.609 1
1 1557 . 8 1 1 A 134 134 ILE CB C 134 38.300 39.561 -1.261 1
1 1561 . 8 1 1 A 134 134 ILE N N 134 130.900 128.645 2.255 1
1 1562 . 8 1 1 A 135 135 LEU H H 135 8.360 9.250 -0.890 1
1 1563 . 8 1 1 A 135 135 LEU HA H 135 5.190 5.587 -0.397 1
1 1573 . 8 1 1 A 135 135 LEU CA C 135 52.700 53.347 -0.647 1
1 1574 . 8 1 1 A 135 135 LEU CB C 135 42.800 45.284 -2.484 1
1 1578 . 8 1 1 A 135 135 LEU N N 135 127.100 127.706 -0.606 1
1 1579 . 8 1 1 A 136 136 LYS H H 136 8.790 8.439 0.351 1
1 1580 . 8 1 1 A 136 136 LYS HA H 136 4.330 4.870 -0.540 1
1 1589 . 8 1 1 A 136 136 LYS CA C 136 55.600 54.436 1.164 1
1 1590 . 8 1 1 A 136 136 LYS CB C 136 34.600 35.273 -0.673 1
1 1594 . 8 1 1 A 136 136 LYS N N 136 125.100 120.981 4.119 1
1 1595 . 8 1 1 A 137 137 GLU H H 137 8.850 8.784 0.066 1
1 1596 . 8 1 1 A 137 137 GLU HA H 137 4.240 4.262 -0.022 1
1 1601 . 8 1 1 A 137 137 GLU CA C 137 57.600 58.008 -0.408 1
1 1602 . 8 1 1 A 137 137 GLU CB C 137 29.900 30.738 -0.838 1
1 1604 . 8 1 1 A 137 137 GLU N N 137 121.100 122.104 -1.004 1
1 1605 . 8 1 1 A 138 138 GLU H H 138 8.150 7.709 0.441 1
1 1606 . 8 1 1 A 138 138 GLU HA H 138 4.370 4.858 -0.488 1
1 1611 . 8 1 1 A 138 138 GLU CA C 138 55.800 54.538 1.262 1
1 1612 . 8 1 1 A 138 138 GLU CB C 138 30.700 33.070 -2.370 1
1 1614 . 8 1 1 A 138 138 GLU N N 138 119.300 119.691 -0.391 1
1 1615 . 8 1 1 A 139 139 LEU H H 139 8.240 8.416 -0.176 1
1 1616 . 8 1 1 A 139 139 LEU HA H 139 4.180 4.416 -0.236 1
1 1626 . 8 1 1 A 139 139 LEU CA C 139 55.400 54.425 0.975 1
1 1627 . 8 1 1 A 139 139 LEU CB C 139 42.300 42.363 -0.063 1
1 1631 . 8 1 1 A 139 139 LEU N N 139 122.800 124.321 -1.521 1
1 1632 . 8 1 1 A 140 140 GLU H H 140 8.250 8.658 -0.408 1
1 1633 . 8 1 1 A 140 140 GLU HA H 140 4.150 4.182 -0.032 1
1 1638 . 8 1 1 A 140 140 GLU CA C 140 56.400 55.929 0.471 1
1 1639 . 8 1 1 A 140 140 GLU CB C 140 29.900 30.755 -0.855 1
1 1641 . 8 1 1 A 140 140 GLU N N 140 120.700 119.957 0.743 1
1 1642 . 8 1 1 A 141 141 HIS H H 141 8.400 8.314 0.086 1
1 13 . 9 1 1 A 2 2 ILE H H 2 8.780 7.840 0.940 1
1 14 . 9 1 1 A 2 2 ILE HA H 2 5.060 5.038 0.022 1
1 24 . 9 1 1 A 2 2 ILE CA C 2 58.500 59.572 -1.072 1
1 25 . 9 1 1 A 2 2 ILE CB C 2 41.300 40.528 0.772 1
1 29 . 9 1 1 A 2 2 ILE N N 2 124.600 122.984 1.616 1
1 30 . 9 1 1 A 3 3 THR H H 3 8.280 9.077 -0.797 1
1 31 . 9 1 1 A 3 3 THR HA H 3 5.350 5.286 0.064 1
1 36 . 9 1 1 A 3 3 THR CA C 3 60.900 61.828 -0.928 1
1 37 . 9 1 1 A 3 3 THR CB C 3 69.900 70.361 -0.461 1
1 39 . 9 1 1 A 3 3 THR N N 3 123.200 124.604 -1.404 1
1 40 . 9 1 1 A 4 4 LEU H H 4 8.710 8.986 -0.276 1
1 41 . 9 1 1 A 4 4 LEU HA H 4 5.040 4.999 0.041 1
1 51 . 9 1 1 A 4 4 LEU CA C 4 53.800 53.504 0.296 1
1 52 . 9 1 1 A 4 4 LEU CB C 4 45.800 45.431 0.369 1
1 56 . 9 1 1 A 4 4 LEU N N 4 127.600 122.386 5.214 1
1 57 . 9 1 1 A 5 5 THR H H 5 8.440 8.225 0.215 1
1 58 . 9 1 1 A 5 5 THR HA H 5 5.040 4.945 0.095 1
1 63 . 9 1 1 A 5 5 THR CA C 5 59.300 60.121 -0.821 1
1 64 . 9 1 1 A 5 5 THR CB C 5 71.000 71.761 -0.761 1
1 66 . 9 1 1 A 5 5 THR N N 5 109.500 111.667 -2.167 1
1 67 . 9 1 1 A 6 6 LYS H H 6 8.730 8.733 -0.003 1
1 68 . 9 1 1 A 6 6 LYS HA H 6 3.810 3.936 -0.126 1
1 77 . 9 1 1 A 6 6 LYS CA C 6 60.000 60.405 -0.405 1
1 78 . 9 1 1 A 6 6 LYS CB C 6 32.000 31.907 0.093 1
1 82 . 9 1 1 A 6 6 LYS N N 6 121.500 121.588 -0.088 1
1 83 . 9 1 1 A 7 7 LYS H H 7 8.290 7.952 0.338 1
1 84 . 9 1 1 A 7 7 LYS HA H 7 3.990 3.932 0.058 1
1 93 . 9 1 1 A 7 7 LYS CA C 7 59.200 59.735 -0.535 1
1 94 . 9 1 1 A 7 7 LYS CB C 7 32.400 32.254 0.146 1
1 98 . 9 1 1 A 7 7 LYS N N 7 118.800 120.300 -1.500 1
1 99 . 9 1 1 A 8 8 GLN H H 8 7.650 7.769 -0.119 1
1 100 . 9 1 1 A 8 8 GLN HA H 8 3.890 3.930 -0.040 1
1 107 . 9 1 1 A 8 8 GLN CA C 8 58.100 59.116 -1.016 1
1 108 . 9 1 1 A 8 8 GLN CB C 8 27.400 29.036 -1.636 1
1 110 . 9 1 1 A 8 8 GLN N N 8 119.800 118.248 1.552 1
1 112 . 9 1 1 A 9 9 MET H H 9 8.130 8.014 0.116 1
1 113 . 9 1 1 A 9 9 MET HA H 9 4.130 3.975 0.155 1
1 121 . 9 1 1 A 9 9 MET CA C 9 57.500 58.243 -0.743 1
1 122 . 9 1 1 A 9 9 MET CB C 9 30.900 31.874 -0.974 1
1 125 . 9 1 1 A 9 9 MET N N 9 118.300 119.669 -1.369 1
1 126 . 9 1 1 A 10 10 GLU H H 10 8.460 8.501 -0.041 1
1 127 . 9 1 1 A 10 10 GLU HA H 10 3.890 3.929 -0.039 1
1 132 . 9 1 1 A 10 10 GLU CA C 10 59.100 59.552 -0.452 1
1 133 . 9 1 1 A 10 10 GLU CB C 10 28.500 29.392 -0.892 1
1 135 . 9 1 1 A 10 10 GLU N N 10 118.500 118.257 0.243 1
1 136 . 9 1 1 A 11 11 GLU H H 11 8.200 8.450 -0.250 1
1 137 . 9 1 1 A 11 11 GLU HA H 11 4.070 4.024 0.046 1
1 142 . 9 1 1 A 11 11 GLU CA C 11 59.200 59.133 0.067 1
1 143 . 9 1 1 A 11 11 GLU CB C 11 28.900 29.308 -0.408 1
1 145 . 9 1 1 A 11 11 GLU N N 11 120.800 120.699 0.101 1
1 146 . 9 1 1 A 12 12 MET H H 12 7.780 8.109 -0.329 1
1 147 . 9 1 1 A 12 12 MET HA H 12 3.390 4.079 -0.689 1
1 155 . 9 1 1 A 12 12 MET CA C 12 60.600 58.312 2.288 1
1 156 . 9 1 1 A 12 12 MET CB C 12 33.900 33.131 0.769 1
1 159 . 9 1 1 A 12 12 MET N N 12 119.300 119.123 0.177 1
1 160 . 9 1 1 A 13 13 LEU H H 13 8.340 8.844 -0.504 1
1 161 . 9 1 1 A 13 13 LEU HA H 13 3.770 3.995 -0.225 1
1 171 . 9 1 1 A 13 13 LEU CA C 13 58.000 57.990 0.010 1
1 172 . 9 1 1 A 13 13 LEU CB C 13 41.400 41.591 -0.191 1
1 176 . 9 1 1 A 13 13 LEU N N 13 118.600 119.493 -0.893 1
1 177 . 9 1 1 A 14 14 ALA H H 14 8.620 8.467 0.153 1
1 178 . 9 1 1 A 14 14 ALA HA H 14 4.100 4.093 0.007 1
1 182 . 9 1 1 A 14 14 ALA CA C 14 55.200 55.232 -0.032 1
1 183 . 9 1 1 A 14 14 ALA CB C 14 17.800 18.234 -0.434 1
1 184 . 9 1 1 A 14 14 ALA N N 14 121.500 120.978 0.522 1
1 185 . 9 1 1 A 15 15 HIS H H 15 7.780 7.725 0.055 1
1 186 . 9 1 1 A 15 15 HIS HA H 15 4.460 4.243 0.217 1
1 190 . 9 1 1 A 15 15 HIS CA C 15 59.000 59.670 -0.670 1
1 191 . 9 1 1 A 15 15 HIS CB C 15 29.300 29.346 -0.046 1
1 193 . 9 1 1 A 15 15 HIS N N 15 116.700 118.173 -1.473 1
1 194 . 9 1 1 A 16 16 ALA H H 16 8.390 8.681 -0.291 1
1 195 . 9 1 1 A 16 16 ALA HA H 16 4.100 4.021 0.079 1
1 199 . 9 1 1 A 16 16 ALA CA C 16 54.500 55.431 -0.931 1
1 200 . 9 1 1 A 16 16 ALA CB C 16 18.200 18.352 -0.152 1
1 201 . 9 1 1 A 16 16 ALA N N 16 120.000 121.231 -1.231 1
1 202 . 9 1 1 A 17 17 ARG H H 17 8.820 8.579 0.241 1
1 203 . 9 1 1 A 17 17 ARG HA H 17 3.890 4.131 -0.241 1
1 210 . 9 1 1 A 17 17 ARG CA C 17 59.900 59.709 0.191 1
1 211 . 9 1 1 A 17 17 ARG CB C 17 30.100 29.861 0.239 1
1 214 . 9 1 1 A 17 17 ARG N N 17 118.900 117.723 1.177 1
1 215 . 9 1 1 A 18 18 GLN H H 18 8.130 7.865 0.265 1
1 216 . 9 1 1 A 18 18 GLN HA H 18 4.060 4.120 -0.060 1
1 223 . 9 1 1 A 18 18 GLN CA C 18 57.900 58.401 -0.501 1
1 224 . 9 1 1 A 18 18 GLN CB C 18 28.000 28.257 -0.257 1
1 226 . 9 1 1 A 18 18 GLN N N 18 118.100 118.625 -0.525 1
1 228 . 9 1 1 A 19 19 ALA H H 19 7.090 7.315 -0.225 1
1 229 . 9 1 1 A 19 19 ALA HA H 19 4.220 4.360 -0.140 1
1 233 . 9 1 1 A 19 19 ALA CA C 19 52.300 52.021 0.279 1
1 234 . 9 1 1 A 19 19 ALA CB C 19 20.600 20.452 0.148 1
1 235 . 9 1 1 A 19 19 ALA N N 19 117.600 121.245 -3.645 1
1 236 . 9 1 1 A 20 20 LEU H H 20 7.020 7.701 -0.681 1
1 237 . 9 1 1 A 20 20 LEU HA H 20 4.110 4.484 -0.374 1
1 247 . 9 1 1 A 20 20 LEU CA C 20 54.600 53.664 0.936 1
1 248 . 9 1 1 A 20 20 LEU CB C 20 40.400 40.908 -0.508 1
1 252 . 9 1 1 A 20 20 LEU N N 20 117.900 121.874 -3.974 1
1 253 . 9 1 1 A 21 21 PRO HA H 21 4.320 4.609 -0.289 1
1 260 . 9 1 1 A 21 21 PRO CA C 21 63.700 63.607 0.093 1
1 261 . 9 1 1 A 21 21 PRO CB C 21 35.000 31.666 3.334 1
1 264 . 9 1 1 A 22 22 ASN H H 22 8.690 8.317 0.373 1
1 265 . 9 1 1 A 22 22 ASN HA H 22 4.570 4.786 -0.216 1
1 270 . 9 1 1 A 22 22 ASN CA C 22 52.400 54.527 -2.127 1
1 271 . 9 1 1 A 22 22 ASN CB C 22 40.000 38.467 1.533 1
1 272 . 9 1 1 A 22 22 ASN N N 22 122.000 119.704 2.296 1
1 274 . 9 1 1 A 23 23 GLU H H 23 8.540 7.777 0.763 1
1 275 . 9 1 1 A 23 23 GLU HA H 23 4.050 4.783 -0.733 1
1 280 . 9 1 1 A 23 23 GLU CA C 23 57.300 56.294 1.006 1
1 281 . 9 1 1 A 23 23 GLU CB C 23 29.000 33.510 -4.510 1
1 283 . 9 1 1 A 23 23 GLU N N 23 116.100 115.601 0.499 1
1 284 . 9 1 1 A 24 24 ALA H H 24 8.390 8.742 -0.352 1
1 285 . 9 1 1 A 24 24 ALA HA H 24 5.040 5.133 -0.093 1
1 289 . 9 1 1 A 24 24 ALA CA C 24 48.900 50.990 -2.090 1
1 290 . 9 1 1 A 24 24 ALA CB C 24 23.200 20.634 2.566 1
1 291 . 9 1 1 A 24 24 ALA N N 24 124.800 124.070 0.730 1
1 292 . 9 1 1 A 25 25 CYS H H 25 8.910 8.935 -0.025 1
1 293 . 9 1 1 A 25 25 CYS HA H 25 5.000 5.357 -0.357 1
1 296 . 9 1 1 A 25 25 CYS CA C 25 55.000 57.570 -2.570 1
1 297 . 9 1 1 A 25 25 CYS CB C 25 32.600 31.681 0.919 1
1 298 . 9 1 1 A 25 25 CYS N N 25 111.700 122.411 -10.711 1
1 299 . 9 1 1 A 26 26 GLY H H 26 7.110 7.435 -0.325 1
1 300 . 9 1 1 A 26 26 GLY HA2 H 26 3.820 3.827 -0.007 1
1 301 . 9 1 1 A 26 26 GLY HA3 H 26 4.070 3.990 0.080 1
1 302 . 9 1 1 A 26 26 GLY CA C 26 46.500 45.980 0.520 1
1 303 . 9 1 1 A 26 26 GLY N N 26 103.200 108.724 -5.524 1
1 304 . 9 1 1 A 27 27 LEU H H 27 8.830 8.742 0.088 1
1 305 . 9 1 1 A 27 27 LEU HA H 27 5.200 5.310 -0.110 1
1 315 . 9 1 1 A 27 27 LEU CA C 27 53.200 53.382 -0.182 1
1 316 . 9 1 1 A 27 27 LEU CB C 27 46.600 45.685 0.915 1
1 320 . 9 1 1 A 27 27 LEU N N 27 116.700 121.750 -5.050 1
1 321 . 9 1 1 A 28 28 LEU H H 28 8.060 8.858 -0.798 1
1 322 . 9 1 1 A 28 28 LEU HA H 28 5.200 5.216 -0.016 1
1 332 . 9 1 1 A 28 28 LEU CA C 28 53.400 53.053 0.347 1
1 333 . 9 1 1 A 28 28 LEU CB C 28 44.900 45.093 -0.193 1
1 337 . 9 1 1 A 28 28 LEU N N 28 118.200 121.921 -3.721 1
1 338 . 9 1 1 A 29 29 GLY H H 29 9.210 8.441 0.769 1
1 339 . 9 1 1 A 29 29 GLY HA2 H 29 3.750 4.355 -0.605 1
1 340 . 9 1 1 A 29 29 GLY HA3 H 29 5.800 4.387 1.413 1
1 341 . 9 1 1 A 29 29 GLY CA C 29 43.600 44.740 -1.140 1
1 342 . 9 1 1 A 29 29 GLY N N 29 109.500 111.560 -2.060 1
1 343 . 9 1 1 A 30 30 GLY H H 30 9.520 8.276 1.244 1
1 344 . 9 1 1 A 30 30 GLY HA2 H 30 3.210 3.434 -0.224 1
1 345 . 9 1 1 A 30 30 GLY HA3 H 30 4.800 4.007 0.793 1
1 346 . 9 1 1 A 30 30 GLY CA C 30 47.500 45.120 2.380 1
1 347 . 9 1 1 A 30 30 GLY N N 30 111.700 108.152 3.548 1
1 348 . 9 1 1 A 31 31 ARG H H 31 8.900 8.357 0.543 1
1 349 . 9 1 1 A 31 31 ARG HA H 31 5.170 5.209 -0.039 1
1 356 . 9 1 1 A 31 31 ARG CA C 31 54.200 54.453 -0.253 1
1 357 . 9 1 1 A 31 31 ARG CB C 31 34.200 34.298 -0.098 1
1 360 . 9 1 1 A 31 31 ARG N N 31 123.000 123.018 -0.018 1
1 361 . 9 1 1 A 32 32 ARG H H 32 9.070 8.998 0.072 1
1 362 . 9 1 1 A 32 32 ARG HA H 32 5.140 5.187 -0.047 1
1 369 . 9 1 1 A 32 32 ARG CA C 32 54.700 54.688 0.012 1
1 370 . 9 1 1 A 32 32 ARG CB C 32 33.700 33.581 0.119 1
1 373 . 9 1 1 A 32 32 ARG N N 32 121.500 124.752 -3.252 1
1 374 . 9 1 1 A 33 33 ASP H H 33 8.640 9.044 -0.404 1
1 375 . 9 1 1 A 33 33 ASP HA H 33 4.850 4.777 0.073 1
1 378 . 9 1 1 A 33 33 ASP CA C 33 53.400 54.064 -0.664 1
1 379 . 9 1 1 A 33 33 ASP CB C 33 42.100 41.461 0.639 1
1 380 . 9 1 1 A 33 33 ASP N N 33 124.200 126.547 -2.347 1
1 381 . 9 1 1 A 34 34 GLY H H 34 9.020 7.896 1.124 1
1 382 . 9 1 1 A 34 34 GLY HA2 H 34 3.670 4.014 -0.344 1
1 383 . 9 1 1 A 34 34 GLY HA3 H 34 4.000 4.016 -0.016 1
1 384 . 9 1 1 A 34 34 GLY CA C 34 47.200 45.621 1.579 1
1 385 . 9 1 1 A 34 34 GLY N N 34 115.900 106.876 9.024 1
1 386 . 9 1 1 A 35 35 ASP H H 35 9.070 8.359 0.711 1
1 387 . 9 1 1 A 35 35 ASP HA H 35 4.650 4.605 0.045 1
1 390 . 9 1 1 A 35 35 ASP CA C 35 54.800 55.383 -0.583 1
1 391 . 9 1 1 A 35 35 ASP CB C 35 41.000 41.782 -0.782 1
1 392 . 9 1 1 A 35 35 ASP N N 35 127.300 123.224 4.076 1
1 393 . 9 1 1 A 36 36 ASP H H 36 8.070 7.875 0.195 1
1 394 . 9 1 1 A 36 36 ASP HA H 36 4.950 4.457 0.493 1
1 397 . 9 1 1 A 36 36 ASP CA C 36 53.700 53.904 -0.204 1
1 398 . 9 1 1 A 36 36 ASP CB C 36 41.700 41.521 0.179 1
1 399 . 9 1 1 A 36 36 ASP N N 36 120.600 118.454 2.146 1
1 400 . 9 1 1 A 37 37 ARG H H 37 8.070 8.404 -0.334 1
1 401 . 9 1 1 A 37 37 ARG HA H 37 4.850 4.972 -0.122 1
1 408 . 9 1 1 A 37 37 ARG CA C 37 55.400 54.463 0.937 1
1 409 . 9 1 1 A 37 37 ARG CB C 37 32.900 33.269 -0.369 1
1 412 . 9 1 1 A 37 37 ARG N N 37 120.800 120.981 -0.181 1
1 413 . 9 1 1 A 38 38 TRP H H 38 9.380 9.065 0.315 1
1 414 . 9 1 1 A 38 38 TRP HA H 38 4.840 5.328 -0.488 1
1 423 . 9 1 1 A 38 38 TRP CA C 38 57.000 55.928 1.072 1
1 424 . 9 1 1 A 38 38 TRP CB C 38 30.100 31.924 -1.824 1
1 430 . 9 1 1 A 38 38 TRP N N 38 124.900 127.628 -2.728 1
1 432 . 9 1 1 A 39 39 VAL H H 39 8.450 9.035 -0.585 1
1 433 . 9 1 1 A 39 39 VAL HA H 39 3.390 4.358 -0.968 1
1 441 . 9 1 1 A 39 39 VAL CA C 39 64.500 61.280 3.220 1
1 442 . 9 1 1 A 39 39 VAL CB C 39 31.500 31.977 -0.477 1
1 445 . 9 1 1 A 39 39 VAL N N 39 124.400 123.029 1.371 1
1 446 . 9 1 1 A 40 40 GLU H H 40 9.080 8.185 0.895 1
1 447 . 9 1 1 A 40 40 GLU HA H 40 4.350 4.231 0.119 1
1 452 . 9 1 1 A 40 40 GLU CA C 40 54.900 57.605 -2.705 1
1 453 . 9 1 1 A 40 40 GLU CB C 40 29.500 30.626 -1.126 1
1 455 . 9 1 1 A 40 40 GLU N N 40 124.200 126.946 -2.746 1
1 456 . 9 1 1 A 41 41 ARG H H 41 7.610 6.915 0.695 1
1 457 . 9 1 1 A 41 41 ARG HA H 41 4.070 4.659 -0.589 1
1 464 . 9 1 1 A 41 41 ARG CA C 41 56.800 54.955 1.845 1
1 465 . 9 1 1 A 41 41 ARG CB C 41 33.600 33.280 0.320 1
1 468 . 9 1 1 A 41 41 ARG N N 41 120.000 120.238 -0.238 1
1 469 . 9 1 1 A 42 42 VAL H H 42 8.460 8.588 -0.128 1
1 470 . 9 1 1 A 42 42 VAL HA H 42 4.300 4.497 -0.197 1
1 478 . 9 1 1 A 42 42 VAL CA C 42 60.900 61.086 -0.186 1
1 479 . 9 1 1 A 42 42 VAL CB C 42 32.900 32.959 -0.059 1
1 482 . 9 1 1 A 42 42 VAL N N 42 125.600 126.838 -1.238 1
1 483 . 9 1 1 A 43 43 TYR H H 43 9.070 8.387 0.683 1
1 484 . 9 1 1 A 43 43 TYR HA H 43 4.930 5.417 -0.487 1
1 491 . 9 1 1 A 43 43 TYR CA C 43 54.600 54.787 -0.187 1
1 492 . 9 1 1 A 43 43 TYR CB C 43 38.500 38.883 -0.383 1
1 495 . 9 1 1 A 43 43 TYR N N 43 124.800 126.339 -1.539 1
1 496 . 9 1 1 A 44 44 PRO HA H 44 4.260 4.739 -0.479 1
1 503 . 9 1 1 A 44 44 PRO CA C 44 63.200 62.872 0.328 1
1 504 . 9 1 1 A 44 44 PRO CB C 44 30.100 32.007 -1.907 1
1 507 . 9 1 1 A 45 45 LEU H H 45 8.270 8.409 -0.139 1
1 508 . 9 1 1 A 45 45 LEU HA H 45 4.930 4.898 0.032 1
1 518 . 9 1 1 A 45 45 LEU CA C 45 53.800 53.269 0.531 1
1 519 . 9 1 1 A 45 45 LEU CB C 45 45.600 44.140 1.460 1
1 523 . 9 1 1 A 45 45 LEU N N 45 125.800 121.666 4.134 1
1 524 . 9 1 1 A 46 46 ASN H H 46 9.120 8.694 0.426 1
1 525 . 9 1 1 A 46 46 ASN HA H 46 4.630 5.429 -0.799 1
1 530 . 9 1 1 A 46 46 ASN CA C 46 56.000 52.443 3.557 1
1 531 . 9 1 1 A 46 46 ASN CB C 46 39.000 41.034 -2.034 1
1 532 . 9 1 1 A 46 46 ASN N N 46 119.000 119.371 -0.371 1
1 534 . 9 1 1 A 47 47 ASN H H 47 8.460 8.716 -0.256 1
1 535 . 9 1 1 A 47 47 ASN HA H 47 5.260 5.003 0.257 1
1 540 . 9 1 1 A 47 47 ASN CA C 47 51.200 52.069 -0.869 1
1 541 . 9 1 1 A 47 47 ASN CB C 47 37.700 39.795 -2.095 1
1 542 . 9 1 1 A 47 47 ASN N N 47 118.500 122.517 -4.017 1
1 544 . 9 1 1 A 48 48 LEU H H 48 8.890 8.507 0.383 1
1 545 . 9 1 1 A 48 48 LEU HA H 48 4.070 4.153 -0.083 1
1 555 . 9 1 1 A 48 48 LEU CA C 48 56.800 57.317 -0.517 1
1 556 . 9 1 1 A 48 48 LEU CB C 48 41.600 41.830 -0.230 1
1 560 . 9 1 1 A 48 48 LEU N N 48 127.100 128.172 -1.072 1
1 561 . 9 1 1 A 49 49 ASP H H 49 7.820 7.743 0.077 1
1 562 . 9 1 1 A 49 49 ASP HA H 49 4.430 4.949 -0.519 1
1 565 . 9 1 1 A 49 49 ASP CA C 49 54.500 53.404 1.096 1
1 566 . 9 1 1 A 49 49 ASP CB C 49 40.100 42.131 -2.031 1
1 567 . 9 1 1 A 49 49 ASP N N 49 115.700 117.558 -1.858 1
1 568 . 9 1 1 A 50 50 GLN H H 50 7.770 8.737 -0.967 1
1 569 . 9 1 1 A 50 50 GLN HA H 50 3.880 4.491 -0.611 1
1 576 . 9 1 1 A 50 50 GLN CA C 50 56.000 55.400 0.600 1
1 577 . 9 1 1 A 50 50 GLN CB C 50 27.400 27.217 0.183 1
1 579 . 9 1 1 A 50 50 GLN N N 50 115.300 123.899 -8.599 1
1 581 . 9 1 1 A 51 51 SER H H 51 6.370 8.022 -1.652 1
1 582 . 9 1 1 A 51 51 SER HA H 51 5.210 5.028 0.182 1
1 585 . 9 1 1 A 51 51 SER CA C 51 53.700 55.538 -1.838 1
1 586 . 9 1 1 A 51 51 SER CB C 51 66.100 65.441 0.659 1
1 587 . 9 1 1 A 51 51 SER N N 51 109.000 120.438 -11.438 1
1 588 . 9 1 1 A 52 52 PRO HA H 52 4.830 5.096 -0.266 1
1 595 . 9 1 1 A 52 52 PRO CA C 52 64.000 64.844 -0.844 1
1 596 . 9 1 1 A 52 52 PRO CB C 52 33.300 32.206 1.094 1
1 599 . 9 1 1 A 53 53 GLU H H 53 8.320 8.537 -0.217 1
1 600 . 9 1 1 A 53 53 GLU HA H 53 4.510 4.504 0.006 1
1 605 . 9 1 1 A 53 53 GLU CA C 53 55.700 56.874 -1.174 1
1 606 . 9 1 1 A 53 53 GLU CB C 53 32.400 30.771 1.629 1
1 608 . 9 1 1 A 53 53 GLU N N 53 113.900 116.215 -2.315 1
1 609 . 9 1 1 A 54 54 HIS H H 54 7.070 7.948 -0.878 1
1 610 . 9 1 1 A 54 54 HIS HA H 54 4.750 5.299 -0.549 1
1 614 . 9 1 1 A 54 54 HIS CA C 54 54.100 53.724 0.376 1
1 615 . 9 1 1 A 54 54 HIS CB C 54 31.100 33.332 -2.232 1
1 617 . 9 1 1 A 54 54 HIS N N 54 112.500 117.299 -4.799 1
1 618 . 9 1 1 A 55 55 PHE H H 55 7.900 8.829 -0.929 1
1 619 . 9 1 1 A 55 55 PHE HA H 55 5.580 5.553 0.027 1
1 627 . 9 1 1 A 55 55 PHE CA C 55 55.400 55.665 -0.265 1
1 628 . 9 1 1 A 55 55 PHE CB C 55 41.200 43.119 -1.919 1
1 632 . 9 1 1 A 55 55 PHE N N 55 114.900 119.000 -4.100 1
1 633 . 9 1 1 A 56 56 SER H H 56 7.690 9.334 -1.644 1
1 634 . 9 1 1 A 56 56 SER HA H 56 4.300 5.117 -0.817 1
1 637 . 9 1 1 A 56 56 SER CA C 56 57.800 57.590 0.210 1
1 638 . 9 1 1 A 56 56 SER CB C 56 65.300 66.237 -0.937 1
1 639 . 9 1 1 A 56 56 SER N N 56 112.900 115.998 -3.098 1
1 640 . 9 1 1 A 57 57 MET H H 57 8.750 8.974 -0.224 1
1 641 . 9 1 1 A 57 57 MET HA H 57 4.860 5.193 -0.333 1
1 649 . 9 1 1 A 57 57 MET CA C 57 54.400 54.276 0.124 1
1 650 . 9 1 1 A 57 57 MET CB C 57 36.000 35.961 0.039 1
1 653 . 9 1 1 A 57 57 MET N N 57 120.000 126.364 -6.364 1
1 654 . 9 1 1 A 58 58 ASP H H 58 10.180 8.821 1.359 1
1 655 . 9 1 1 A 58 58 ASP HA H 58 4.740 5.057 -0.317 1
1 658 . 9 1 1 A 58 58 ASP CA C 58 51.700 52.227 -0.527 1
1 659 . 9 1 1 A 58 58 ASP CB C 58 42.700 41.371 1.329 1
1 660 . 9 1 1 A 58 58 ASP N N 58 126.600 126.067 0.533 1
1 661 . 9 1 1 A 59 59 PRO HA H 59 4.400 4.385 0.015 1
1 668 . 9 1 1 A 59 59 PRO CA C 59 65.300 64.663 0.637 1
1 669 . 9 1 1 A 59 59 PRO CB C 59 32.300 32.054 0.246 1
1 672 . 9 1 1 A 60 60 ARG H H 60 8.520 8.192 0.328 1
1 673 . 9 1 1 A 60 60 ARG HA H 60 4.120 4.058 0.062 1
1 680 . 9 1 1 A 60 60 ARG CA C 60 59.200 59.387 -0.187 1
1 681 . 9 1 1 A 60 60 ARG CB C 60 29.500 30.052 -0.552 1
1 684 . 9 1 1 A 60 60 ARG N N 60 118.700 118.372 0.328 1
1 685 . 9 1 1 A 61 61 GLU H H 61 7.730 8.986 -1.256 1
1 686 . 9 1 1 A 61 61 GLU HA H 61 4.190 4.139 0.051 1
1 691 . 9 1 1 A 61 61 GLU CA C 61 59.000 59.079 -0.079 1
1 692 . 9 1 1 A 61 61 GLU CB C 61 30.200 29.446 0.754 1
1 694 . 9 1 1 A 61 61 GLU N N 61 119.800 119.919 -0.119 1
1 695 . 9 1 1 A 62 62 GLN H H 62 8.220 7.651 0.569 1
1 696 . 9 1 1 A 62 62 GLN HA H 62 3.830 4.020 -0.190 1
1 703 . 9 1 1 A 62 62 GLN CA C 62 59.900 58.732 1.168 1
1 704 . 9 1 1 A 62 62 GLN CB C 62 29.000 28.325 0.675 1
1 706 . 9 1 1 A 62 62 GLN N N 62 118.700 119.915 -1.215 1
1 708 . 9 1 1 A 63 63 LEU H H 63 7.950 8.079 -0.129 1
1 709 . 9 1 1 A 63 63 LEU HA H 63 4.110 4.079 0.031 1
1 719 . 9 1 1 A 63 63 LEU CA C 63 58.000 57.688 0.312 1
1 720 . 9 1 1 A 63 63 LEU CB C 63 41.400 41.689 -0.289 1
1 724 . 9 1 1 A 63 63 LEU N N 63 119.200 120.982 -1.782 1
1 725 . 9 1 1 A 64 64 THR H H 64 7.910 8.015 -0.105 1
1 726 . 9 1 1 A 64 64 THR HA H 64 3.790 3.881 -0.091 1
1 731 . 9 1 1 A 64 64 THR CA C 64 66.800 66.281 0.519 1
1 732 . 9 1 1 A 64 64 THR CB C 64 68.700 68.383 0.317 1
1 734 . 9 1 1 A 64 64 THR N N 64 116.000 114.605 1.395 1
1 735 . 9 1 1 A 65 65 ALA H H 65 7.520 7.529 -0.009 1
1 736 . 9 1 1 A 65 65 ALA HA H 65 3.970 3.851 0.119 1
1 740 . 9 1 1 A 65 65 ALA CA C 65 55.100 54.936 0.164 1
1 741 . 9 1 1 A 65 65 ALA CB C 65 17.900 18.233 -0.333 1
1 742 . 9 1 1 A 65 65 ALA N N 65 125.200 123.839 1.361 1
1 743 . 9 1 1 A 66 66 VAL H H 66 8.420 7.829 0.591 1
1 744 . 9 1 1 A 66 66 VAL HA H 66 3.840 3.432 0.408 1
1 752 . 9 1 1 A 66 66 VAL CA C 66 66.200 67.143 -0.943 1
1 753 . 9 1 1 A 66 66 VAL CB C 66 31.700 31.551 0.149 1
1 756 . 9 1 1 A 66 66 VAL N N 66 119.300 118.702 0.598 1
1 757 . 9 1 1 A 67 67 LYS H H 67 8.570 8.218 0.352 1
1 758 . 9 1 1 A 67 67 LYS HA H 67 3.960 3.983 -0.023 1
1 767 . 9 1 1 A 67 67 LYS CA C 67 60.300 59.744 0.556 1
1 768 . 9 1 1 A 67 67 LYS CB C 67 32.200 32.269 -0.069 1
1 772 . 9 1 1 A 67 67 LYS N N 67 120.600 119.971 0.629 1
1 773 . 9 1 1 A 68 68 ASP H H 68 7.660 7.752 -0.092 1
1 774 . 9 1 1 A 68 68 ASP HA H 68 4.290 4.361 -0.071 1
1 777 . 9 1 1 A 68 68 ASP CA C 68 58.300 57.641 0.659 1
1 778 . 9 1 1 A 68 68 ASP CB C 68 42.700 40.833 1.867 1
1 779 . 9 1 1 A 68 68 ASP N N 68 121.500 119.610 1.890 1
1 780 . 9 1 1 A 69 69 MET H H 69 8.620 8.030 0.590 1
1 781 . 9 1 1 A 69 69 MET HA H 69 4.250 4.355 -0.105 1
1 789 . 9 1 1 A 69 69 MET CA C 69 60.300 58.745 1.555 1
1 790 . 9 1 1 A 69 69 MET CB C 69 32.700 32.061 0.639 1
1 793 . 9 1 1 A 69 69 MET N N 69 120.100 119.451 0.649 1
1 794 . 9 1 1 A 70 70 ARG H H 70 8.500 8.263 0.237 1
1 795 . 9 1 1 A 70 70 ARG HA H 70 4.110 4.242 -0.132 1
1 802 . 9 1 1 A 70 70 ARG CA C 70 59.200 58.904 0.296 1
1 803 . 9 1 1 A 70 70 ARG CB C 70 29.600 29.521 0.079 1
1 806 . 9 1 1 A 70 70 ARG N N 70 119.000 120.081 -1.081 1
1 807 . 9 1 1 A 71 71 LYS H H 71 8.020 7.746 0.274 1
1 808 . 9 1 1 A 71 71 LYS HA H 71 3.970 4.039 -0.069 1
1 817 . 9 1 1 A 71 71 LYS CA C 71 58.800 58.700 0.100 1
1 818 . 9 1 1 A 71 71 LYS CB C 71 32.000 31.885 0.115 1
1 822 . 9 1 1 A 71 71 LYS N N 71 121.100 119.637 1.463 1
1 823 . 9 1 1 A 72 72 ASN H H 72 6.960 7.716 -0.756 1
1 824 . 9 1 1 A 72 72 ASN HA H 72 4.090 4.508 -0.418 1
1 829 . 9 1 1 A 72 72 ASN CA C 72 53.300 52.772 0.528 1
1 830 . 9 1 1 A 72 72 ASN CB C 72 39.000 38.705 0.295 1
1 831 . 9 1 1 A 72 72 ASN N N 72 114.600 114.076 0.524 1
1 833 . 9 1 1 A 73 73 GLY H H 73 7.560 7.982 -0.422 1
1 834 . 9 1 1 A 73 73 GLY HA2 H 73 3.890 3.709 0.181 1
1 835 . 9 1 1 A 73 73 GLY HA3 H 73 3.760 3.814 -0.054 1
1 836 . 9 1 1 A 73 73 GLY CA C 73 45.900 45.595 0.305 1
1 837 . 9 1 1 A 73 73 GLY N N 73 106.700 107.176 -0.476 1
1 838 . 9 1 1 A 74 74 TRP H H 74 8.240 7.866 0.374 1
1 839 . 9 1 1 A 74 74 TRP HA H 74 5.260 4.851 0.409 1
1 848 . 9 1 1 A 74 74 TRP CA C 74 53.100 57.078 -3.978 1
1 849 . 9 1 1 A 74 74 TRP CB C 74 31.400 32.334 -0.934 1
1 855 . 9 1 1 A 74 74 TRP N N 74 120.700 120.347 0.353 1
1 857 . 9 1 1 A 75 75 VAL H H 75 9.410 8.645 0.765 1
1 858 . 9 1 1 A 75 75 VAL HA H 75 4.800 4.932 -0.132 1
1 866 . 9 1 1 A 75 75 VAL CA C 75 58.500 59.134 -0.634 1
1 867 . 9 1 1 A 75 75 VAL CB C 75 35.500 35.551 -0.051 1
1 870 . 9 1 1 A 75 75 VAL N N 75 112.100 116.180 -4.080 1
1 871 . 9 1 1 A 76 76 MET H H 76 8.800 8.806 -0.006 1
1 872 . 9 1 1 A 76 76 MET HA H 76 4.650 4.648 0.002 1
1 880 . 9 1 1 A 76 76 MET CA C 76 56.900 55.300 1.600 1
1 881 . 9 1 1 A 76 76 MET CB C 76 32.600 33.430 -0.830 1
1 884 . 9 1 1 A 76 76 MET N N 76 122.400 123.078 -0.678 1
1 885 . 9 1 1 A 77 77 LEU H H 77 8.780 9.154 -0.374 1
1 886 . 9 1 1 A 77 77 LEU HA H 77 4.480 4.780 -0.300 1
1 896 . 9 1 1 A 77 77 LEU CA C 77 54.100 54.523 -0.423 1
1 897 . 9 1 1 A 77 77 LEU CB C 77 44.700 42.868 1.832 1
1 901 . 9 1 1 A 77 77 LEU N N 77 125.600 127.465 -1.865 1
1 902 . 9 1 1 A 78 78 GLY H H 78 7.590 7.465 0.125 1
1 903 . 9 1 1 A 78 78 GLY HA2 H 78 5.150 3.933 1.217 1
1 904 . 9 1 1 A 78 78 GLY HA3 H 78 3.660 3.971 -0.311 1
1 905 . 9 1 1 A 78 78 GLY CA C 78 45.700 45.206 0.494 1
1 906 . 9 1 1 A 78 78 GLY N N 78 102.900 106.230 -3.330 1
1 907 . 9 1 1 A 79 79 ASN H H 79 8.520 8.306 0.214 1
1 908 . 9 1 1 A 79 79 ASN HA H 79 5.230 5.543 -0.313 1
1 913 . 9 1 1 A 79 79 ASN CA C 79 51.100 51.336 -0.236 1
1 914 . 9 1 1 A 79 79 ASN CB C 79 41.500 42.728 -1.228 1
1 915 . 9 1 1 A 79 79 ASN N N 79 115.600 116.278 -0.678 1
1 917 . 9 1 1 A 80 80 PHE H H 80 8.410 8.248 0.162 1
1 918 . 9 1 1 A 80 80 PHE HA H 80 6.120 5.841 0.279 1
1 926 . 9 1 1 A 80 80 PHE CA C 80 54.500 55.350 -0.850 1
1 927 . 9 1 1 A 80 80 PHE CB C 80 44.800 42.664 2.136 1
1 931 . 9 1 1 A 80 80 PHE N N 80 113.100 116.146 -3.046 1
1 932 . 9 1 1 A 81 81 HIS H H 81 8.310 8.842 -0.532 1
1 933 . 9 1 1 A 81 81 HIS HA H 81 5.300 5.791 -0.491 1
1 938 . 9 1 1 A 81 81 HIS CA C 81 54.400 54.500 -0.100 1
1 939 . 9 1 1 A 81 81 HIS CB C 81 30.300 32.109 -1.809 1
1 942 . 9 1 1 A 81 81 HIS N N 81 111.600 115.967 -4.367 1
1 943 . 9 1 1 A 82 82 SER H H 82 8.390 8.758 -0.368 1
1 944 . 9 1 1 A 82 82 SER HA H 82 5.510 5.533 -0.023 1
1 947 . 9 1 1 A 82 82 SER CA C 82 54.800 55.915 -1.115 1
1 948 . 9 1 1 A 82 82 SER CB C 82 66.700 65.644 1.056 1
1 949 . 9 1 1 A 82 82 SER N N 82 112.700 115.179 -2.479 1
1 950 . 9 1 1 A 83 83 HIS H H 83 8.890 8.510 0.380 1
1 951 . 9 1 1 A 83 83 HIS HA H 83 5.480 4.826 0.654 1
1 956 . 9 1 1 A 83 83 HIS CA C 83 49.900 54.475 -4.575 1
1 957 . 9 1 1 A 83 83 HIS CB C 83 32.000 30.498 1.502 1
1 960 . 9 1 1 A 83 83 HIS N N 83 115.200 121.538 -6.338 1
1 961 . 9 1 1 A 84 84 PRO HA H 84 3.940 4.394 -0.454 1
1 968 . 9 1 1 A 84 84 PRO CA C 84 65.600 65.106 0.494 1
1 969 . 9 1 1 A 84 84 PRO CB C 84 33.300 31.813 1.487 1
1 972 . 9 1 1 A 85 85 ALA H H 85 8.410 8.048 0.362 1
1 973 . 9 1 1 A 85 85 ALA HA H 85 4.670 4.564 0.106 1
1 977 . 9 1 1 A 85 85 ALA CA C 85 51.300 51.301 -0.001 1
1 978 . 9 1 1 A 85 85 ALA CB C 85 21.200 19.274 1.926 1
1 979 . 9 1 1 A 85 85 ALA N N 85 112.800 119.299 -6.499 1
1 980 . 9 1 1 A 86 86 THR H H 86 7.070 7.971 -0.901 1
1 981 . 9 1 1 A 86 86 THR HA H 86 4.960 5.106 -0.146 1
1 986 . 9 1 1 A 86 86 THR CA C 86 58.600 58.884 -0.284 1
1 987 . 9 1 1 A 86 86 THR CB C 86 69.500 70.776 -1.276 1
1 989 . 9 1 1 A 86 86 THR N N 86 109.200 109.402 -0.202 1
1 990 . 9 1 1 A 87 87 PRO HA H 87 4.630 4.613 0.017 1
1 997 . 9 1 1 A 87 87 PRO CA C 87 62.700 62.762 -0.062 1
1 998 . 9 1 1 A 87 87 PRO CB C 87 33.500 32.129 1.371 1
1 1001 . 9 1 1 A 88 88 ALA H H 88 9.760 8.325 1.435 1
1 1002 . 9 1 1 A 88 88 ALA HA H 88 3.960 4.547 -0.587 1
1 1006 . 9 1 1 A 88 88 ALA CA C 88 51.700 51.750 -0.050 1
1 1007 . 9 1 1 A 88 88 ALA CB C 88 16.300 17.615 -1.315 1
1 1008 . 9 1 1 A 88 88 ALA N N 88 127.600 123.825 3.775 1
1 1009 . 9 1 1 A 89 89 ARG H H 89 7.570 7.867 -0.297 1
1 1010 . 9 1 1 A 89 89 ARG HA H 89 4.280 4.498 -0.218 1
1 1017 . 9 1 1 A 89 89 ARG CA C 89 53.200 52.611 0.589 1
1 1018 . 9 1 1 A 89 89 ARG CB C 89 31.300 32.055 -0.755 1
1 1021 . 9 1 1 A 89 89 ARG N N 89 118.300 118.471 -0.171 1
1 1022 . 9 1 1 A 90 90 PRO HA H 90 4.510 4.594 -0.084 1
1 1029 . 9 1 1 A 90 90 PRO CA C 90 62.900 62.807 0.093 1
1 1030 . 9 1 1 A 90 90 PRO CB C 90 31.300 31.543 -0.243 1
1 1033 . 9 1 1 A 91 91 SER H H 91 9.630 8.473 1.157 1
1 1034 . 9 1 1 A 91 91 SER HA H 91 4.600 4.528 0.072 1
1 1037 . 9 1 1 A 91 91 SER CA C 91 56.500 58.684 -2.184 1
1 1038 . 9 1 1 A 91 91 SER CB C 91 66.000 64.241 1.759 1
1 1039 . 9 1 1 A 91 91 SER N N 91 122.500 118.072 4.428 1
1 1040 . 9 1 1 A 92 92 ALA H H 92 8.910 8.934 -0.024 1
1 1041 . 9 1 1 A 92 92 ALA HA H 92 3.980 3.953 0.027 1
1 1045 . 9 1 1 A 92 92 ALA CA C 92 55.900 55.323 0.577 1
1 1046 . 9 1 1 A 92 92 ALA CB C 92 17.800 18.072 -0.272 1
1 1047 . 9 1 1 A 92 92 ALA N N 92 123.000 124.849 -1.849 1
1 1048 . 9 1 1 A 93 93 GLU H H 93 8.370 8.123 0.247 1
1 1049 . 9 1 1 A 93 93 GLU HA H 93 4.070 4.005 0.065 1
1 1054 . 9 1 1 A 93 93 GLU CA C 93 58.900 59.359 -0.459 1
1 1055 . 9 1 1 A 93 93 GLU CB C 93 28.800 28.986 -0.186 1
1 1057 . 9 1 1 A 93 93 GLU N N 93 118.800 116.630 2.170 1
1 1058 . 9 1 1 A 94 94 ASP H H 94 7.770 8.369 -0.599 1
1 1059 . 9 1 1 A 94 94 ASP HA H 94 4.260 4.414 -0.154 1
1 1062 . 9 1 1 A 94 94 ASP CA C 94 57.100 57.536 -0.436 1
1 1063 . 9 1 1 A 94 94 ASP CB C 94 40.200 42.282 -2.082 1
1 1064 . 9 1 1 A 94 94 ASP N N 94 119.200 120.505 -1.305 1
1 1065 . 9 1 1 A 95 95 LYS H H 95 7.830 8.318 -0.488 1
1 1066 . 9 1 1 A 95 95 LYS HA H 95 3.720 3.877 -0.157 1
1 1075 . 9 1 1 A 95 95 LYS CA C 95 59.500 59.267 0.233 1
1 1076 . 9 1 1 A 95 95 LYS CB C 95 31.900 32.112 -0.212 1
1 1080 . 9 1 1 A 95 95 LYS N N 95 116.400 119.603 -3.203 1
1 1081 . 9 1 1 A 96 96 ARG H H 96 7.570 7.796 -0.226 1
1 1082 . 9 1 1 A 96 96 ARG HA H 96 3.940 3.915 0.025 1
1 1089 . 9 1 1 A 96 96 ARG CA C 96 58.500 58.503 -0.003 1
1 1090 . 9 1 1 A 96 96 ARG CB C 96 30.100 29.712 0.388 1
1 1093 . 9 1 1 A 96 96 ARG N N 96 119.400 119.723 -0.323 1
1 1094 . 9 1 1 A 97 97 LEU H H 97 7.270 7.174 0.096 1
1 1095 . 9 1 1 A 97 97 LEU HA H 97 4.030 4.374 -0.344 1
1 1105 . 9 1 1 A 97 97 LEU CA C 97 54.400 54.630 -0.230 1
1 1106 . 9 1 1 A 97 97 LEU CB C 97 41.600 41.359 0.241 1
1 1110 . 9 1 1 A 97 97 LEU N N 97 116.100 118.038 -1.938 1
1 1111 . 9 1 1 A 98 98 ALA H H 98 6.950 6.946 0.004 1
1 1112 . 9 1 1 A 98 98 ALA HA H 98 4.230 4.600 -0.370 1
1 1116 . 9 1 1 A 98 98 ALA CA C 98 50.800 50.749 0.051 1
1 1117 . 9 1 1 A 98 98 ALA CB C 98 16.700 19.040 -2.340 1
1 1118 . 9 1 1 A 98 98 ALA N N 98 124.800 123.861 0.939 1
1 1119 . 9 1 1 A 99 99 PHE H H 99 7.630 8.817 -1.187 1
1 1120 . 9 1 1 A 99 99 PHE HA H 99 4.490 4.709 -0.219 1
1 1128 . 9 1 1 A 99 99 PHE CA C 99 58.200 57.061 1.139 1
1 1129 . 9 1 1 A 99 99 PHE CB C 99 39.500 39.363 0.137 1
1 1133 . 9 1 1 A 99 99 PHE N N 99 120.400 123.558 -3.158 1
1 1134 . 9 1 1 A 100 100 ASP H H 100 7.320 7.663 -0.343 1
1 1135 . 9 1 1 A 100 100 ASP HA H 100 5.240 4.953 0.287 1
1 1138 . 9 1 1 A 100 100 ASP CA C 100 49.900 52.500 -2.600 1
1 1139 . 9 1 1 A 100 100 ASP CB C 100 42.200 41.486 0.714 1
1 1140 . 9 1 1 A 100 100 ASP N N 100 118.200 119.886 -1.686 1
1 1141 . 9 1 1 A 101 101 PRO HA H 101 5.040 4.500 0.540 1
1 1148 . 9 1 1 A 101 101 PRO CA C 101 64.200 65.062 -0.862 1
1 1149 . 9 1 1 A 101 101 PRO CB C 101 32.800 31.854 0.946 1
1 1152 . 9 1 1 A 102 102 SER H H 102 8.950 7.894 1.056 1
1 1153 . 9 1 1 A 102 102 SER HA H 102 4.530 4.777 -0.247 1
1 1156 . 9 1 1 A 102 102 SER CA C 102 59.300 57.026 2.274 1
1 1157 . 9 1 1 A 102 102 SER CB C 102 64.500 63.806 0.694 1
1 1158 . 9 1 1 A 102 102 SER N N 102 117.700 111.994 5.706 1
1 1159 . 9 1 1 A 103 103 LEU H H 103 6.850 8.825 -1.975 1
1 1160 . 9 1 1 A 103 103 LEU HA H 103 4.200 4.483 -0.283 1
1 1170 . 9 1 1 A 103 103 LEU CA C 103 53.700 54.700 -1.000 1
1 1171 . 9 1 1 A 103 103 LEU CB C 103 41.800 42.021 -0.221 1
1 1175 . 9 1 1 A 103 103 LEU N N 103 121.100 124.108 -3.008 1
1 1176 . 9 1 1 A 104 104 SER H H 104 8.080 8.927 -0.847 1
1 1177 . 9 1 1 A 104 104 SER HA H 104 4.310 4.915 -0.605 1
1 1180 . 9 1 1 A 104 104 SER CA C 104 60.300 58.166 2.134 1
1 1181 . 9 1 1 A 104 104 SER CB C 104 63.300 63.728 -0.428 1
1 1182 . 9 1 1 A 104 104 SER N N 104 116.100 118.605 -2.505 1
1 1183 . 9 1 1 A 105 105 TYR H H 105 8.790 9.429 -0.639 1
1 1184 . 9 1 1 A 105 105 TYR HA H 105 4.750 5.357 -0.607 1
1 1191 . 9 1 1 A 105 105 TYR CA C 105 57.100 57.189 -0.089 1
1 1192 . 9 1 1 A 105 105 TYR CB C 105 37.700 40.097 -2.397 1
1 1195 . 9 1 1 A 105 105 TYR N N 105 122.700 127.467 -4.767 1
1 1196 . 9 1 1 A 106 106 LEU H H 106 8.750 9.170 -0.420 1
1 1197 . 9 1 1 A 106 106 LEU HA H 106 5.290 5.211 0.079 1
1 1207 . 9 1 1 A 106 106 LEU CA C 106 56.000 53.365 2.635 1
1 1208 . 9 1 1 A 106 106 LEU CB C 106 43.400 43.401 -0.001 1
1 1212 . 9 1 1 A 106 106 LEU N N 106 125.200 123.601 1.599 1
1 1213 . 9 1 1 A 107 107 ILE H H 107 9.480 9.162 0.318 1
1 1214 . 9 1 1 A 107 107 ILE HA H 107 4.630 4.871 -0.241 1
1 1224 . 9 1 1 A 107 107 ILE CA C 107 59.700 59.960 -0.260 1
1 1225 . 9 1 1 A 107 107 ILE CB C 107 40.500 40.604 -0.104 1
1 1229 . 9 1 1 A 107 107 ILE N N 107 123.800 124.159 -0.359 1
1 1230 . 9 1 1 A 108 108 ILE H H 108 7.820 9.042 -1.222 1
1 1231 . 9 1 1 A 108 108 ILE HA H 108 4.950 5.230 -0.280 1
1 1241 . 9 1 1 A 108 108 ILE CA C 108 58.600 59.876 -1.276 1
1 1242 . 9 1 1 A 108 108 ILE CB C 108 41.700 40.432 1.268 1
1 1246 . 9 1 1 A 108 108 ILE N N 108 125.200 128.845 -3.645 1
1 1247 . 9 1 1 A 109 109 SER H H 109 9.780 9.308 0.472 1
1 1248 . 9 1 1 A 109 109 SER HA H 109 5.430 5.093 0.337 1
1 1251 . 9 1 1 A 109 109 SER CA C 109 56.400 57.902 -1.502 1
1 1252 . 9 1 1 A 109 109 SER CB C 109 64.900 63.985 0.915 1
1 1253 . 9 1 1 A 109 109 SER N N 109 120.300 125.762 -5.462 1
1 1254 . 9 1 1 A 110 110 LEU H H 110 8.110 8.425 -0.315 1
1 1255 . 9 1 1 A 110 110 LEU HA H 110 4.630 4.563 0.067 1
1 1265 . 9 1 1 A 110 110 LEU CA C 110 53.300 54.133 -0.833 1
1 1266 . 9 1 1 A 110 110 LEU CB C 110 41.100 40.727 0.373 1
1 1270 . 9 1 1 A 110 110 LEU N N 110 130.700 128.162 2.538 1
1 1271 . 9 1 1 A 111 111 ALA H H 111 7.390 8.194 -0.804 1
1 1272 . 9 1 1 A 111 111 ALA HA H 111 3.920 4.126 -0.206 1
1 1276 . 9 1 1 A 111 111 ALA CA C 111 55.200 54.518 0.682 1
1 1277 . 9 1 1 A 111 111 ALA CB C 111 17.900 19.299 -1.399 1
1 1278 . 9 1 1 A 111 111 ALA N N 111 121.000 122.702 -1.702 1
1 1279 . 9 1 1 A 112 112 GLU H H 112 8.290 7.867 0.423 1
1 1280 . 9 1 1 A 112 112 GLU HA H 112 4.830 4.778 0.052 1
1 1285 . 9 1 1 A 112 112 GLU CA C 112 52.600 53.079 -0.479 1
1 1286 . 9 1 1 A 112 112 GLU CB C 112 29.300 32.911 -3.611 1
1 1288 . 9 1 1 A 112 112 GLU N N 112 116.400 116.207 0.193 1
1 1289 . 9 1 1 A 113 113 PRO HA H 113 3.940 4.480 -0.540 1
1 1296 . 9 1 1 A 113 113 PRO CA C 113 65.600 64.159 1.441 1
1 1297 . 9 1 1 A 113 113 PRO CB C 113 31.900 31.971 -0.071 1
1 1300 . 9 1 1 A 114 114 GLN H H 114 8.610 8.565 0.045 1
1 1301 . 9 1 1 A 114 114 GLN HA H 114 4.250 4.116 0.134 1
1 1308 . 9 1 1 A 114 114 GLN CA C 114 56.100 58.126 -2.026 1
1 1309 . 9 1 1 A 114 114 GLN CB C 114 28.300 27.979 0.321 1
1 1311 . 9 1 1 A 114 114 GLN N N 114 113.500 115.775 -2.275 1
1 1313 . 9 1 1 A 115 115 LYS H H 115 8.040 7.328 0.712 1
1 1314 . 9 1 1 A 115 115 LYS HA H 115 4.620 4.733 -0.113 1
1 1323 . 9 1 1 A 115 115 LYS CA C 115 53.500 53.692 -0.192 1
1 1324 . 9 1 1 A 115 115 LYS CB C 115 33.400 33.311 0.089 1
1 1328 . 9 1 1 A 115 115 LYS N N 115 121.000 118.198 2.802 1
1 1329 . 9 1 1 A 116 116 PRO HA H 116 4.560 4.658 -0.098 1
1 1336 . 9 1 1 A 116 116 PRO CA C 116 62.900 62.758 0.142 1
1 1337 . 9 1 1 A 116 116 PRO CB C 116 32.500 32.358 0.142 1
1 1340 . 9 1 1 A 117 117 VAL H H 117 7.850 8.226 -0.376 1
1 1341 . 9 1 1 A 117 117 VAL HA H 117 4.360 4.191 0.169 1
1 1349 . 9 1 1 A 117 117 VAL CA C 117 61.200 61.937 -0.737 1
1 1350 . 9 1 1 A 117 117 VAL CB C 117 35.900 31.116 4.784 1
1 1353 . 9 1 1 A 117 117 VAL N N 117 120.600 122.891 -2.291 1
1 1354 . 9 1 1 A 118 118 CYS H H 118 8.820 8.923 -0.103 1
1 1355 . 9 1 1 A 118 118 CYS HA H 118 5.340 5.392 -0.052 1
1 1358 . 9 1 1 A 118 118 CYS CA C 118 56.400 56.994 -0.594 1
1 1359 . 9 1 1 A 118 118 CYS CB C 118 28.700 29.366 -0.666 1
1 1360 . 9 1 1 A 118 118 CYS N N 118 127.100 126.385 0.715 1
1 1361 . 9 1 1 A 119 119 LYS H H 119 8.530 8.908 -0.378 1
1 1362 . 9 1 1 A 119 119 LYS HA H 119 4.590 4.788 -0.198 1
1 1371 . 9 1 1 A 119 119 LYS CA C 119 54.900 54.679 0.221 1
1 1372 . 9 1 1 A 119 119 LYS CB C 119 39.600 36.342 3.258 1
1 1376 . 9 1 1 A 119 119 LYS N N 119 126.400 125.688 0.712 1
1 1377 . 9 1 1 A 120 120 SER H H 120 8.220 8.231 -0.011 1
1 1378 . 9 1 1 A 120 120 SER HA H 120 4.870 5.391 -0.521 1
1 1381 . 9 1 1 A 120 120 SER CA C 120 56.300 55.971 0.329 1
1 1382 . 9 1 1 A 120 120 SER CB C 120 63.300 65.603 -2.303 1
1 1383 . 9 1 1 A 120 120 SER N N 120 114.500 116.600 -2.100 1
1 1384 . 9 1 1 A 121 121 PHE H H 121 8.450 9.510 -1.060 1
1 1385 . 9 1 1 A 121 121 PHE HA H 121 5.160 5.376 -0.216 1
1 1393 . 9 1 1 A 121 121 PHE CA C 121 57.200 56.000 1.200 1
1 1394 . 9 1 1 A 121 121 PHE CB C 121 42.700 42.804 -0.104 1
1 1398 . 9 1 1 A 121 121 PHE N N 121 124.400 123.516 0.884 1
1 1399 . 9 1 1 A 122 122 LEU H H 122 9.070 9.608 -0.538 1
1 1400 . 9 1 1 A 122 122 LEU HA H 122 5.270 5.052 0.218 1
1 1410 . 9 1 1 A 122 122 LEU CA C 122 53.300 53.717 -0.417 1
1 1411 . 9 1 1 A 122 122 LEU CB C 122 42.200 42.432 -0.232 1
1 1415 . 9 1 1 A 122 122 LEU N N 122 120.900 123.853 -2.953 1
1 1416 . 9 1 1 A 123 123 ILE H H 123 9.730 8.782 0.948 1
1 1417 . 9 1 1 A 123 123 ILE HA H 123 4.290 4.383 -0.093 1
1 1427 . 9 1 1 A 123 123 ILE CA C 123 61.400 61.043 0.357 1
1 1428 . 9 1 1 A 123 123 ILE CB C 123 38.000 37.627 0.373 1
1 1432 . 9 1 1 A 123 123 ILE N N 123 125.900 125.760 0.140 1
1 1433 . 9 1 1 A 124 124 LYS H H 124 8.080 8.746 -0.666 1
1 1434 . 9 1 1 A 124 124 LYS HA H 124 4.720 4.645 0.075 1
1 1443 . 9 1 1 A 124 124 LYS CA C 124 54.100 54.344 -0.244 1
1 1444 . 9 1 1 A 124 124 LYS CB C 124 34.700 34.553 0.147 1
1 1448 . 9 1 1 A 124 124 LYS N N 124 124.600 127.713 -3.113 1
1 1449 . 9 1 1 A 125 125 LYS H H 125 8.830 8.835 -0.005 1
1 1450 . 9 1 1 A 125 125 LYS HA H 125 4.000 3.843 0.157 1
1 1459 . 9 1 1 A 125 125 LYS CA C 125 59.000 60.177 -1.177 1
1 1460 . 9 1 1 A 125 125 LYS CB C 125 31.700 32.277 -0.577 1
1 1464 . 9 1 1 A 125 125 LYS N N 125 120.900 123.791 -2.891 1
1 1465 . 9 1 1 A 126 126 ASP H H 126 8.160 7.926 0.234 1
1 1466 . 9 1 1 A 126 126 ASP HA H 126 4.650 4.325 0.325 1
1 1469 . 9 1 1 A 126 126 ASP CA C 126 53.100 56.868 -3.768 1
1 1470 . 9 1 1 A 126 126 ASP CB C 126 40.300 41.231 -0.931 1
1 1471 . 9 1 1 A 126 126 ASP N N 126 113.200 118.281 -5.081 1
1 1472 . 9 1 1 A 127 127 GLY H H 127 7.370 7.358 0.012 1
1 1473 . 9 1 1 A 127 127 GLY HA2 H 127 4.300 4.038 0.262 1
1 1474 . 9 1 1 A 127 127 GLY HA3 H 127 3.900 4.053 -0.153 1
1 1475 . 9 1 1 A 127 127 GLY CA C 127 45.200 46.096 -0.896 1
1 1476 . 9 1 1 A 127 127 GLY N N 127 107.600 103.109 4.491 1
1 1477 . 9 1 1 A 128 128 VAL H H 128 8.130 8.417 -0.287 1
1 1478 . 9 1 1 A 128 128 VAL HA H 128 4.900 5.003 -0.103 1
1 1486 . 9 1 1 A 128 128 VAL CA C 128 60.900 59.514 1.386 1
1 1487 . 9 1 1 A 128 128 VAL CB C 128 34.000 34.463 -0.463 1
1 1490 . 9 1 1 A 128 128 VAL N N 128 118.900 119.678 -0.778 1
1 1491 . 9 1 1 A 129 129 ASP H H 129 9.250 8.832 0.418 1
1 1492 . 9 1 1 A 129 129 ASP HA H 129 5.220 5.343 -0.123 1
1 1495 . 9 1 1 A 129 129 ASP CA C 129 52.300 52.816 -0.516 1
1 1496 . 9 1 1 A 129 129 ASP CB C 129 43.600 44.516 -0.916 1
1 1497 . 9 1 1 A 129 129 ASP N N 129 126.500 129.506 -3.006 1
1 1498 . 9 1 1 A 130 130 GLU H H 130 8.900 8.896 0.004 1
1 1499 . 9 1 1 A 130 130 GLU HA H 130 4.420 5.001 -0.581 1
1 1504 . 9 1 1 A 130 130 GLU CA C 130 56.400 55.582 0.818 1
1 1505 . 9 1 1 A 130 130 GLU CB C 130 29.800 30.524 -0.724 1
1 1507 . 9 1 1 A 130 130 GLU N N 130 124.000 124.476 -0.476 1
1 1508 . 9 1 1 A 131 131 GLU H H 131 8.860 9.139 -0.279 1
1 1509 . 9 1 1 A 131 131 GLU HA H 131 4.430 4.964 -0.534 1
1 1514 . 9 1 1 A 131 131 GLU CA C 131 53.500 54.912 -1.412 1
1 1515 . 9 1 1 A 131 131 GLU CB C 131 32.500 32.530 -0.030 1
1 1517 . 9 1 1 A 131 131 GLU N N 131 129.200 124.932 4.268 1
1 1518 . 9 1 1 A 132 132 GLU H H 132 8.610 8.611 -0.001 1
1 1519 . 9 1 1 A 132 132 GLU HA H 132 4.050 4.643 -0.593 1
1 1524 . 9 1 1 A 132 132 GLU CA C 132 57.100 55.631 1.469 1
1 1525 . 9 1 1 A 132 132 GLU CB C 132 30.100 31.509 -1.409 1
1 1527 . 9 1 1 A 132 132 GLU N N 132 126.400 124.618 1.782 1
1 1528 . 9 1 1 A 133 133 ILE H H 133 8.200 8.574 -0.374 1
1 1529 . 9 1 1 A 133 133 ILE HA H 133 4.740 4.562 0.178 1
1 1539 . 9 1 1 A 133 133 ILE CA C 133 60.000 59.455 0.545 1
1 1540 . 9 1 1 A 133 133 ILE CB C 133 39.300 38.199 1.101 1
1 1544 . 9 1 1 A 133 133 ILE N N 133 124.500 123.072 1.428 1
1 1545 . 9 1 1 A 134 134 ILE H H 134 9.000 9.493 -0.493 1
1 1546 . 9 1 1 A 134 134 ILE HA H 134 4.190 4.757 -0.567 1
1 1556 . 9 1 1 A 134 134 ILE CA C 134 59.000 59.708 -0.708 1
1 1557 . 9 1 1 A 134 134 ILE CB C 134 38.300 38.439 -0.139 1
1 1561 . 9 1 1 A 134 134 ILE N N 134 130.900 128.837 2.063 1
1 1562 . 9 1 1 A 135 135 LEU H H 135 8.360 9.108 -0.748 1
1 1563 . 9 1 1 A 135 135 LEU HA H 135 5.190 5.479 -0.289 1
1 1573 . 9 1 1 A 135 135 LEU CA C 135 52.700 53.569 -0.869 1
1 1574 . 9 1 1 A 135 135 LEU CB C 135 42.800 43.074 -0.274 1
1 1578 . 9 1 1 A 135 135 LEU N N 135 127.100 128.242 -1.142 1
1 1579 . 9 1 1 A 136 136 LYS H H 136 8.790 8.986 -0.196 1
1 1580 . 9 1 1 A 136 136 LYS HA H 136 4.330 4.546 -0.216 1
1 1589 . 9 1 1 A 136 136 LYS CA C 136 55.600 54.584 1.016 1
1 1590 . 9 1 1 A 136 136 LYS CB C 136 34.600 34.245 0.355 1
1 1594 . 9 1 1 A 136 136 LYS N N 136 125.100 123.756 1.344 1
1 1595 . 9 1 1 A 137 137 GLU H H 137 8.850 8.924 -0.074 1
1 1596 . 9 1 1 A 137 137 GLU HA H 137 4.240 4.211 0.029 1
1 1601 . 9 1 1 A 137 137 GLU CA C 137 57.600 58.258 -0.658 1
1 1602 . 9 1 1 A 137 137 GLU CB C 137 29.900 30.761 -0.861 1
1 1604 . 9 1 1 A 137 137 GLU N N 137 121.100 122.346 -1.246 1
1 1605 . 9 1 1 A 138 138 GLU H H 138 8.150 7.678 0.472 1
1 1606 . 9 1 1 A 138 138 GLU HA H 138 4.370 4.820 -0.450 1
1 1611 . 9 1 1 A 138 138 GLU CA C 138 55.800 54.566 1.234 1
1 1612 . 9 1 1 A 138 138 GLU CB C 138 30.700 33.141 -2.441 1
1 1614 . 9 1 1 A 138 138 GLU N N 138 119.300 118.468 0.832 1
1 1615 . 9 1 1 A 139 139 LEU H H 139 8.240 8.594 -0.354 1
1 1616 . 9 1 1 A 139 139 LEU HA H 139 4.180 4.317 -0.137 1
1 1626 . 9 1 1 A 139 139 LEU CA C 139 55.400 54.998 0.402 1
1 1627 . 9 1 1 A 139 139 LEU CB C 139 42.300 42.452 -0.152 1
1 1631 . 9 1 1 A 139 139 LEU N N 139 122.800 124.618 -1.818 1
1 1632 . 9 1 1 A 140 140 GLU H H 140 8.250 8.668 -0.418 1
1 1633 . 9 1 1 A 140 140 GLU HA H 140 4.150 4.516 -0.366 1
1 1638 . 9 1 1 A 140 140 GLU CA C 140 56.400 56.595 -0.195 1
1 1639 . 9 1 1 A 140 140 GLU CB C 140 29.900 30.289 -0.389 1
1 1641 . 9 1 1 A 140 140 GLU N N 140 120.700 120.647 0.053 1
1 1642 . 9 1 1 A 141 141 HIS H H 141 8.400 9.240 -0.840 1
1 13 . 10 1 1 A 2 2 ILE H H 2 8.780 8.859 -0.079 1
1 14 . 10 1 1 A 2 2 ILE HA H 2 5.060 5.431 -0.371 1
1 24 . 10 1 1 A 2 2 ILE CA C 2 58.500 59.214 -0.714 1
1 25 . 10 1 1 A 2 2 ILE CB C 2 41.300 40.905 0.395 1
1 29 . 10 1 1 A 2 2 ILE N N 2 124.600 121.371 3.229 1
1 30 . 10 1 1 A 3 3 THR H H 3 8.280 8.892 -0.612 1
1 31 . 10 1 1 A 3 3 THR HA H 3 5.350 5.300 0.050 1
1 36 . 10 1 1 A 3 3 THR CA C 3 60.900 61.906 -1.006 1
1 37 . 10 1 1 A 3 3 THR CB C 3 69.900 70.382 -0.482 1
1 39 . 10 1 1 A 3 3 THR N N 3 123.200 125.125 -1.925 1
1 40 . 10 1 1 A 4 4 LEU H H 4 8.710 8.921 -0.211 1
1 41 . 10 1 1 A 4 4 LEU HA H 4 5.040 5.002 0.038 1
1 51 . 10 1 1 A 4 4 LEU CA C 4 53.800 53.530 0.270 1
1 52 . 10 1 1 A 4 4 LEU CB C 4 45.800 45.717 0.083 1
1 56 . 10 1 1 A 4 4 LEU N N 4 127.600 122.660 4.940 1
1 57 . 10 1 1 A 5 5 THR H H 5 8.440 8.260 0.180 1
1 58 . 10 1 1 A 5 5 THR HA H 5 5.040 5.125 -0.085 1
1 63 . 10 1 1 A 5 5 THR CA C 5 59.300 60.221 -0.921 1
1 64 . 10 1 1 A 5 5 THR CB C 5 71.000 71.733 -0.733 1
1 66 . 10 1 1 A 5 5 THR N N 5 109.500 111.640 -2.140 1
1 67 . 10 1 1 A 6 6 LYS H H 6 8.730 9.160 -0.430 1
1 68 . 10 1 1 A 6 6 LYS HA H 6 3.810 4.009 -0.199 1
1 77 . 10 1 1 A 6 6 LYS CA C 6 60.000 60.431 -0.431 1
1 78 . 10 1 1 A 6 6 LYS CB C 6 32.000 31.987 0.013 1
1 82 . 10 1 1 A 6 6 LYS N N 6 121.500 122.426 -0.926 1
1 83 . 10 1 1 A 7 7 LYS H H 7 8.290 8.014 0.276 1
1 84 . 10 1 1 A 7 7 LYS HA H 7 3.990 3.895 0.095 1
1 93 . 10 1 1 A 7 7 LYS CA C 7 59.200 59.537 -0.337 1
1 94 . 10 1 1 A 7 7 LYS CB C 7 32.400 31.993 0.407 1
1 98 . 10 1 1 A 7 7 LYS N N 7 118.800 119.870 -1.070 1
1 99 . 10 1 1 A 8 8 GLN H H 8 7.650 7.943 -0.293 1
1 100 . 10 1 1 A 8 8 GLN HA H 8 3.890 3.971 -0.081 1
1 107 . 10 1 1 A 8 8 GLN CA C 8 58.100 59.108 -1.008 1
1 108 . 10 1 1 A 8 8 GLN CB C 8 27.400 28.589 -1.189 1
1 110 . 10 1 1 A 8 8 GLN N N 8 119.800 118.142 1.658 1
1 112 . 10 1 1 A 9 9 MET H H 9 8.130 8.125 0.005 1
1 113 . 10 1 1 A 9 9 MET HA H 9 4.130 4.004 0.126 1
1 121 . 10 1 1 A 9 9 MET CA C 9 57.500 58.222 -0.722 1
1 122 . 10 1 1 A 9 9 MET CB C 9 30.900 31.836 -0.936 1
1 125 . 10 1 1 A 9 9 MET N N 9 118.300 119.650 -1.350 1
1 126 . 10 1 1 A 10 10 GLU H H 10 8.460 8.145 0.315 1
1 127 . 10 1 1 A 10 10 GLU HA H 10 3.890 3.998 -0.108 1
1 132 . 10 1 1 A 10 10 GLU CA C 10 59.100 59.254 -0.154 1
1 133 . 10 1 1 A 10 10 GLU CB C 10 28.500 29.205 -0.705 1
1 135 . 10 1 1 A 10 10 GLU N N 10 118.500 118.469 0.031 1
1 136 . 10 1 1 A 11 11 GLU H H 11 8.200 8.560 -0.360 1
1 137 . 10 1 1 A 11 11 GLU HA H 11 4.070 3.978 0.092 1
1 142 . 10 1 1 A 11 11 GLU CA C 11 59.200 59.066 0.134 1
1 143 . 10 1 1 A 11 11 GLU CB C 11 28.900 29.401 -0.501 1
1 145 . 10 1 1 A 11 11 GLU N N 11 120.800 121.192 -0.392 1
1 146 . 10 1 1 A 12 12 MET H H 12 7.780 7.913 -0.133 1
1 147 . 10 1 1 A 12 12 MET HA H 12 3.390 3.729 -0.339 1
1 155 . 10 1 1 A 12 12 MET CA C 12 60.600 58.116 2.484 1
1 156 . 10 1 1 A 12 12 MET CB C 12 33.900 32.866 1.034 1
1 159 . 10 1 1 A 12 12 MET N N 12 119.300 118.933 0.367 1
1 160 . 10 1 1 A 13 13 LEU H H 13 8.340 8.543 -0.203 1
1 161 . 10 1 1 A 13 13 LEU HA H 13 3.770 4.016 -0.246 1
1 171 . 10 1 1 A 13 13 LEU CA C 13 58.000 57.900 0.100 1
1 172 . 10 1 1 A 13 13 LEU CB C 13 41.400 41.343 0.057 1
1 176 . 10 1 1 A 13 13 LEU N N 13 118.600 119.557 -0.957 1
1 177 . 10 1 1 A 14 14 ALA H H 14 8.620 8.942 -0.322 1
1 178 . 10 1 1 A 14 14 ALA HA H 14 4.100 4.098 0.002 1
1 182 . 10 1 1 A 14 14 ALA CA C 14 55.200 55.091 0.109 1
1 183 . 10 1 1 A 14 14 ALA CB C 14 17.800 18.316 -0.516 1
1 184 . 10 1 1 A 14 14 ALA N N 14 121.500 121.297 0.203 1
1 185 . 10 1 1 A 15 15 HIS H H 15 7.780 7.721 0.059 1
1 186 . 10 1 1 A 15 15 HIS HA H 15 4.460 4.278 0.182 1
1 190 . 10 1 1 A 15 15 HIS CA C 15 59.000 59.567 -0.567 1
1 191 . 10 1 1 A 15 15 HIS CB C 15 29.300 29.334 -0.034 1
1 193 . 10 1 1 A 15 15 HIS N N 15 116.700 118.028 -1.328 1
1 194 . 10 1 1 A 16 16 ALA H H 16 8.390 8.012 0.378 1
1 195 . 10 1 1 A 16 16 ALA HA H 16 4.100 3.875 0.225 1
1 199 . 10 1 1 A 16 16 ALA CA C 16 54.500 55.382 -0.882 1
1 200 . 10 1 1 A 16 16 ALA CB C 16 18.200 18.029 0.171 1
1 201 . 10 1 1 A 16 16 ALA N N 16 120.000 121.320 -1.320 1
1 202 . 10 1 1 A 17 17 ARG H H 17 8.820 8.512 0.308 1
1 203 . 10 1 1 A 17 17 ARG HA H 17 3.890 4.172 -0.282 1
1 210 . 10 1 1 A 17 17 ARG CA C 17 59.900 60.021 -0.121 1
1 211 . 10 1 1 A 17 17 ARG CB C 17 30.100 29.792 0.308 1
1 214 . 10 1 1 A 17 17 ARG N N 17 118.900 117.535 1.365 1
1 215 . 10 1 1 A 18 18 GLN H H 18 8.130 8.312 -0.182 1
1 216 . 10 1 1 A 18 18 GLN HA H 18 4.060 4.094 -0.034 1
1 223 . 10 1 1 A 18 18 GLN CA C 18 57.900 58.488 -0.588 1
1 224 . 10 1 1 A 18 18 GLN CB C 18 28.000 28.751 -0.751 1
1 226 . 10 1 1 A 18 18 GLN N N 18 118.100 118.958 -0.858 1
1 228 . 10 1 1 A 19 19 ALA H H 19 7.090 7.536 -0.446 1
1 229 . 10 1 1 A 19 19 ALA HA H 19 4.220 4.362 -0.142 1
1 233 . 10 1 1 A 19 19 ALA CA C 19 52.300 51.952 0.348 1
1 234 . 10 1 1 A 19 19 ALA CB C 19 20.600 18.933 1.667 1
1 235 . 10 1 1 A 19 19 ALA N N 19 117.600 119.669 -2.069 1
1 236 . 10 1 1 A 20 20 LEU H H 20 7.020 7.331 -0.311 1
1 237 . 10 1 1 A 20 20 LEU HA H 20 4.110 4.375 -0.265 1
1 247 . 10 1 1 A 20 20 LEU CA C 20 54.600 53.857 0.743 1
1 248 . 10 1 1 A 20 20 LEU CB C 20 40.400 41.318 -0.918 1
1 252 . 10 1 1 A 20 20 LEU N N 20 117.900 122.389 -4.489 1
1 253 . 10 1 1 A 21 21 PRO HA H 21 4.320 4.631 -0.311 1
1 260 . 10 1 1 A 21 21 PRO CA C 21 63.700 63.549 0.151 1
1 261 . 10 1 1 A 21 21 PRO CB C 21 35.000 32.160 2.840 1
1 264 . 10 1 1 A 22 22 ASN H H 22 8.690 8.259 0.431 1
1 265 . 10 1 1 A 22 22 ASN HA H 22 4.570 4.926 -0.356 1
1 270 . 10 1 1 A 22 22 ASN CA C 22 52.400 52.501 -0.101 1
1 271 . 10 1 1 A 22 22 ASN CB C 22 40.000 39.858 0.142 1
1 272 . 10 1 1 A 22 22 ASN N N 22 122.000 121.044 0.956 1
1 274 . 10 1 1 A 23 23 GLU H H 23 8.540 8.446 0.094 1
1 275 . 10 1 1 A 23 23 GLU HA H 23 4.050 4.281 -0.231 1
1 280 . 10 1 1 A 23 23 GLU CA C 23 57.300 56.737 0.563 1
1 281 . 10 1 1 A 23 23 GLU CB C 23 29.000 30.159 -1.159 1
1 283 . 10 1 1 A 23 23 GLU N N 23 116.100 119.250 -3.150 1
1 284 . 10 1 1 A 24 24 ALA H H 24 8.390 8.023 0.367 1
1 285 . 10 1 1 A 24 24 ALA HA H 24 5.040 4.033 1.007 1
1 289 . 10 1 1 A 24 24 ALA CA C 24 48.900 53.000 -4.100 1
1 290 . 10 1 1 A 24 24 ALA CB C 24 23.200 17.841 5.359 1
1 291 . 10 1 1 A 24 24 ALA N N 24 124.800 120.591 4.209 1
1 292 . 10 1 1 A 25 25 CYS H H 25 8.910 8.794 0.116 1
1 293 . 10 1 1 A 25 25 CYS HA H 25 5.000 5.316 -0.316 1
1 296 . 10 1 1 A 25 25 CYS CA C 25 55.000 57.661 -2.661 1
1 297 . 10 1 1 A 25 25 CYS CB C 25 32.600 31.605 0.995 1
1 298 . 10 1 1 A 25 25 CYS N N 25 111.700 121.404 -9.704 1
1 299 . 10 1 1 A 26 26 GLY H H 26 7.110 7.796 -0.686 1
1 300 . 10 1 1 A 26 26 GLY HA2 H 26 3.820 3.895 -0.075 1
1 301 . 10 1 1 A 26 26 GLY HA3 H 26 4.070 4.105 -0.035 1
1 302 . 10 1 1 A 26 26 GLY CA C 26 46.500 45.859 0.641 1
1 303 . 10 1 1 A 26 26 GLY N N 26 103.200 108.851 -5.651 1
1 304 . 10 1 1 A 27 27 LEU H H 27 8.830 8.685 0.145 1
1 305 . 10 1 1 A 27 27 LEU HA H 27 5.200 5.254 -0.054 1
1 315 . 10 1 1 A 27 27 LEU CA C 27 53.200 53.358 -0.158 1
1 316 . 10 1 1 A 27 27 LEU CB C 27 46.600 45.804 0.796 1
1 320 . 10 1 1 A 27 27 LEU N N 27 116.700 121.873 -5.173 1
1 321 . 10 1 1 A 28 28 LEU H H 28 8.060 8.835 -0.775 1
1 322 . 10 1 1 A 28 28 LEU HA H 28 5.200 5.204 -0.004 1
1 332 . 10 1 1 A 28 28 LEU CA C 28 53.400 52.847 0.553 1
1 333 . 10 1 1 A 28 28 LEU CB C 28 44.900 44.977 -0.077 1
1 337 . 10 1 1 A 28 28 LEU N N 28 118.200 121.813 -3.613 1
1 338 . 10 1 1 A 29 29 GLY H H 29 9.210 8.884 0.326 1
1 339 . 10 1 1 A 29 29 GLY HA2 H 29 3.750 4.191 -0.441 1
1 340 . 10 1 1 A 29 29 GLY HA3 H 29 5.800 4.264 1.536 1
1 341 . 10 1 1 A 29 29 GLY CA C 29 43.600 44.315 -0.715 1
1 342 . 10 1 1 A 29 29 GLY N N 29 109.500 111.716 -2.216 1
1 343 . 10 1 1 A 30 30 GLY H H 30 9.520 7.906 1.614 1
1 344 . 10 1 1 A 30 30 GLY HA2 H 30 3.210 3.898 -0.688 1
1 345 . 10 1 1 A 30 30 GLY HA3 H 30 4.800 4.189 0.611 1
1 346 . 10 1 1 A 30 30 GLY CA C 30 47.500 45.651 1.849 1
1 347 . 10 1 1 A 30 30 GLY N N 30 111.700 108.349 3.351 1
1 348 . 10 1 1 A 31 31 ARG H H 31 8.900 8.547 0.353 1
1 349 . 10 1 1 A 31 31 ARG HA H 31 5.170 5.297 -0.127 1
1 356 . 10 1 1 A 31 31 ARG CA C 31 54.200 54.458 -0.258 1
1 357 . 10 1 1 A 31 31 ARG CB C 31 34.200 35.160 -0.960 1
1 360 . 10 1 1 A 31 31 ARG N N 31 123.000 122.049 0.951 1
1 361 . 10 1 1 A 32 32 ARG H H 32 9.070 9.033 0.037 1
1 362 . 10 1 1 A 32 32 ARG HA H 32 5.140 5.584 -0.444 1
1 369 . 10 1 1 A 32 32 ARG CA C 32 54.700 54.535 0.165 1
1 370 . 10 1 1 A 32 32 ARG CB C 32 33.700 32.940 0.760 1
1 373 . 10 1 1 A 32 32 ARG N N 32 121.500 119.944 1.556 1
1 374 . 10 1 1 A 33 33 ASP H H 33 8.640 8.562 0.078 1
1 375 . 10 1 1 A 33 33 ASP HA H 33 4.850 5.042 -0.192 1
1 378 . 10 1 1 A 33 33 ASP CA C 33 53.400 53.023 0.377 1
1 379 . 10 1 1 A 33 33 ASP CB C 33 42.100 41.866 0.234 1
1 380 . 10 1 1 A 33 33 ASP N N 33 124.200 124.475 -0.275 1
1 381 . 10 1 1 A 34 34 GLY H H 34 9.020 8.076 0.944 1
1 382 . 10 1 1 A 34 34 GLY HA2 H 34 3.670 4.042 -0.372 1
1 383 . 10 1 1 A 34 34 GLY HA3 H 34 4.000 4.048 -0.048 1
1 384 . 10 1 1 A 34 34 GLY CA C 34 47.200 45.926 1.274 1
1 385 . 10 1 1 A 34 34 GLY N N 34 115.900 107.471 8.429 1
1 386 . 10 1 1 A 35 35 ASP H H 35 9.070 8.569 0.501 1
1 387 . 10 1 1 A 35 35 ASP HA H 35 4.650 4.379 0.271 1
1 390 . 10 1 1 A 35 35 ASP CA C 35 54.800 55.579 -0.779 1
1 391 . 10 1 1 A 35 35 ASP CB C 35 41.000 40.519 0.481 1
1 392 . 10 1 1 A 35 35 ASP N N 35 127.300 116.710 10.590 1
1 393 . 10 1 1 A 36 36 ASP H H 36 8.070 7.906 0.164 1
1 394 . 10 1 1 A 36 36 ASP HA H 36 4.950 4.405 0.545 1
1 397 . 10 1 1 A 36 36 ASP CA C 36 53.700 54.211 -0.511 1
1 398 . 10 1 1 A 36 36 ASP CB C 36 41.700 40.937 0.763 1
1 399 . 10 1 1 A 36 36 ASP N N 36 120.600 121.810 -1.210 1
1 400 . 10 1 1 A 37 37 ARG H H 37 8.070 8.056 0.014 1
1 401 . 10 1 1 A 37 37 ARG HA H 37 4.850 4.798 0.052 1
1 408 . 10 1 1 A 37 37 ARG CA C 37 55.400 54.556 0.844 1
1 409 . 10 1 1 A 37 37 ARG CB C 37 32.900 33.380 -0.480 1
1 412 . 10 1 1 A 37 37 ARG N N 37 120.800 122.332 -1.532 1
1 413 . 10 1 1 A 38 38 TRP H H 38 9.380 9.043 0.337 1
1 414 . 10 1 1 A 38 38 TRP HA H 38 4.840 5.184 -0.344 1
1 423 . 10 1 1 A 38 38 TRP CA C 38 57.000 55.793 1.207 1
1 424 . 10 1 1 A 38 38 TRP CB C 38 30.100 31.990 -1.890 1
1 430 . 10 1 1 A 38 38 TRP N N 38 124.900 127.627 -2.727 1
1 432 . 10 1 1 A 39 39 VAL H H 39 8.450 9.262 -0.812 1
1 433 . 10 1 1 A 39 39 VAL HA H 39 3.390 4.360 -0.970 1
1 441 . 10 1 1 A 39 39 VAL CA C 39 64.500 61.581 2.919 1
1 442 . 10 1 1 A 39 39 VAL CB C 39 31.500 31.127 0.373 1
1 445 . 10 1 1 A 39 39 VAL N N 39 124.400 123.447 0.953 1
1 446 . 10 1 1 A 40 40 GLU H H 40 9.080 8.381 0.699 1
1 447 . 10 1 1 A 40 40 GLU HA H 40 4.350 4.226 0.124 1
1 452 . 10 1 1 A 40 40 GLU CA C 40 54.900 57.578 -2.678 1
1 453 . 10 1 1 A 40 40 GLU CB C 40 29.500 30.458 -0.958 1
1 455 . 10 1 1 A 40 40 GLU N N 40 124.200 126.874 -2.674 1
1 456 . 10 1 1 A 41 41 ARG H H 41 7.610 7.014 0.596 1
1 457 . 10 1 1 A 41 41 ARG HA H 41 4.070 4.561 -0.491 1
1 464 . 10 1 1 A 41 41 ARG CA C 41 56.800 54.203 2.597 1
1 465 . 10 1 1 A 41 41 ARG CB C 41 33.600 33.860 -0.260 1
1 468 . 10 1 1 A 41 41 ARG N N 41 120.000 117.863 2.137 1
1 469 . 10 1 1 A 42 42 VAL H H 42 8.460 7.933 0.527 1
1 470 . 10 1 1 A 42 42 VAL HA H 42 4.300 4.600 -0.300 1
1 478 . 10 1 1 A 42 42 VAL CA C 42 60.900 60.958 -0.058 1
1 479 . 10 1 1 A 42 42 VAL CB C 42 32.900 33.764 -0.864 1
1 482 . 10 1 1 A 42 42 VAL N N 42 125.600 121.318 4.282 1
1 483 . 10 1 1 A 43 43 TYR H H 43 9.070 8.656 0.414 1
1 484 . 10 1 1 A 43 43 TYR HA H 43 4.930 5.308 -0.378 1
1 491 . 10 1 1 A 43 43 TYR CA C 43 54.600 54.898 -0.298 1
1 492 . 10 1 1 A 43 43 TYR CB C 43 38.500 39.048 -0.548 1
1 495 . 10 1 1 A 43 43 TYR N N 43 124.800 126.005 -1.205 1
1 496 . 10 1 1 A 44 44 PRO HA H 44 4.260 4.378 -0.118 1
1 503 . 10 1 1 A 44 44 PRO CA C 44 63.200 62.587 0.613 1
1 504 . 10 1 1 A 44 44 PRO CB C 44 30.100 31.044 -0.944 1
1 507 . 10 1 1 A 45 45 LEU H H 45 8.270 8.346 -0.076 1
1 508 . 10 1 1 A 45 45 LEU HA H 45 4.930 4.697 0.233 1
1 518 . 10 1 1 A 45 45 LEU CA C 45 53.800 53.666 0.134 1
1 519 . 10 1 1 A 45 45 LEU CB C 45 45.600 42.550 3.050 1
1 523 . 10 1 1 A 45 45 LEU N N 45 125.800 124.034 1.766 1
1 524 . 10 1 1 A 46 46 ASN H H 46 9.120 8.544 0.576 1
1 525 . 10 1 1 A 46 46 ASN HA H 46 4.630 5.117 -0.487 1
1 530 . 10 1 1 A 46 46 ASN CA C 46 56.000 53.331 2.669 1
1 531 . 10 1 1 A 46 46 ASN CB C 46 39.000 40.032 -1.032 1
1 532 . 10 1 1 A 46 46 ASN N N 46 119.000 119.249 -0.249 1
1 534 . 10 1 1 A 47 47 ASN H H 47 8.460 8.516 -0.056 1
1 535 . 10 1 1 A 47 47 ASN HA H 47 5.260 5.315 -0.055 1
1 540 . 10 1 1 A 47 47 ASN CA C 47 51.200 51.691 -0.491 1
1 541 . 10 1 1 A 47 47 ASN CB C 47 37.700 41.130 -3.430 1
1 542 . 10 1 1 A 47 47 ASN N N 47 118.500 123.188 -4.688 1
1 544 . 10 1 1 A 48 48 LEU H H 48 8.890 8.980 -0.090 1
1 545 . 10 1 1 A 48 48 LEU HA H 48 4.070 4.209 -0.139 1
1 555 . 10 1 1 A 48 48 LEU CA C 48 56.800 56.832 -0.032 1
1 556 . 10 1 1 A 48 48 LEU CB C 48 41.600 42.250 -0.650 1
1 560 . 10 1 1 A 48 48 LEU N N 48 127.100 127.803 -0.703 1
1 561 . 10 1 1 A 49 49 ASP H H 49 7.820 8.111 -0.291 1
1 562 . 10 1 1 A 49 49 ASP HA H 49 4.430 4.633 -0.203 1
1 565 . 10 1 1 A 49 49 ASP CA C 49 54.500 54.224 0.276 1
1 566 . 10 1 1 A 49 49 ASP CB C 49 40.100 41.844 -1.744 1
1 567 . 10 1 1 A 49 49 ASP N N 49 115.700 118.896 -3.196 1
1 568 . 10 1 1 A 50 50 GLN H H 50 7.770 8.584 -0.814 1
1 569 . 10 1 1 A 50 50 GLN HA H 50 3.880 4.546 -0.666 1
1 576 . 10 1 1 A 50 50 GLN CA C 50 56.000 55.504 0.496 1
1 577 . 10 1 1 A 50 50 GLN CB C 50 27.400 28.957 -1.557 1
1 579 . 10 1 1 A 50 50 GLN N N 50 115.300 123.118 -7.818 1
1 581 . 10 1 1 A 51 51 SER H H 51 6.370 7.586 -1.216 1
1 582 . 10 1 1 A 51 51 SER HA H 51 5.210 4.871 0.339 1
1 585 . 10 1 1 A 51 51 SER CA C 51 53.700 55.491 -1.791 1
1 586 . 10 1 1 A 51 51 SER CB C 51 66.100 64.633 1.467 1
1 587 . 10 1 1 A 51 51 SER N N 51 109.000 116.572 -7.572 1
1 588 . 10 1 1 A 52 52 PRO HA H 52 4.830 4.541 0.289 1
1 595 . 10 1 1 A 52 52 PRO CA C 52 64.000 64.483 -0.483 1
1 596 . 10 1 1 A 52 52 PRO CB C 52 33.300 32.166 1.134 1
1 599 . 10 1 1 A 53 53 GLU H H 53 8.320 8.343 -0.023 1
1 600 . 10 1 1 A 53 53 GLU HA H 53 4.510 4.731 -0.221 1
1 605 . 10 1 1 A 53 53 GLU CA C 53 55.700 56.528 -0.828 1
1 606 . 10 1 1 A 53 53 GLU CB C 53 32.400 31.457 0.943 1
1 608 . 10 1 1 A 53 53 GLU N N 53 113.900 116.157 -2.257 1
1 609 . 10 1 1 A 54 54 HIS H H 54 7.070 7.756 -0.686 1
1 610 . 10 1 1 A 54 54 HIS HA H 54 4.750 5.431 -0.681 1
1 614 . 10 1 1 A 54 54 HIS CA C 54 54.100 53.944 0.156 1
1 615 . 10 1 1 A 54 54 HIS CB C 54 31.100 32.922 -1.822 1
1 617 . 10 1 1 A 54 54 HIS N N 54 112.500 118.327 -5.827 1
1 618 . 10 1 1 A 55 55 PHE H H 55 7.900 9.232 -1.332 1
1 619 . 10 1 1 A 55 55 PHE HA H 55 5.580 5.708 -0.128 1
1 627 . 10 1 1 A 55 55 PHE CA C 55 55.400 55.468 -0.068 1
1 628 . 10 1 1 A 55 55 PHE CB C 55 41.200 43.080 -1.880 1
1 632 . 10 1 1 A 55 55 PHE N N 55 114.900 118.670 -3.770 1
1 633 . 10 1 1 A 56 56 SER H H 56 7.690 8.782 -1.092 1
1 634 . 10 1 1 A 56 56 SER HA H 56 4.300 4.756 -0.456 1
1 637 . 10 1 1 A 56 56 SER CA C 56 57.800 57.608 0.192 1
1 638 . 10 1 1 A 56 56 SER CB C 56 65.300 65.619 -0.319 1
1 639 . 10 1 1 A 56 56 SER N N 56 112.900 115.464 -2.564 1
1 640 . 10 1 1 A 57 57 MET H H 57 8.750 9.128 -0.378 1
1 641 . 10 1 1 A 57 57 MET HA H 57 4.860 5.523 -0.663 1
1 649 . 10 1 1 A 57 57 MET CA C 57 54.400 53.111 1.289 1
1 650 . 10 1 1 A 57 57 MET CB C 57 36.000 35.469 0.531 1
1 653 . 10 1 1 A 57 57 MET N N 57 120.000 122.750 -2.750 1
1 654 . 10 1 1 A 58 58 ASP H H 58 10.180 8.654 1.526 1
1 655 . 10 1 1 A 58 58 ASP HA H 58 4.740 4.922 -0.182 1
1 658 . 10 1 1 A 58 58 ASP CA C 58 51.700 51.596 0.104 1
1 659 . 10 1 1 A 58 58 ASP CB C 58 42.700 42.553 0.147 1
1 660 . 10 1 1 A 58 58 ASP N N 58 126.600 123.072 3.528 1
1 661 . 10 1 1 A 59 59 PRO HA H 59 4.400 4.355 0.045 1
1 668 . 10 1 1 A 59 59 PRO CA C 59 65.300 64.724 0.576 1
1 669 . 10 1 1 A 59 59 PRO CB C 59 32.300 32.205 0.095 1
1 672 . 10 1 1 A 60 60 ARG H H 60 8.520 8.493 0.027 1
1 673 . 10 1 1 A 60 60 ARG HA H 60 4.120 4.070 0.050 1
1 680 . 10 1 1 A 60 60 ARG CA C 60 59.200 59.032 0.168 1
1 681 . 10 1 1 A 60 60 ARG CB C 60 29.500 29.674 -0.174 1
1 684 . 10 1 1 A 60 60 ARG N N 60 118.700 118.533 0.167 1
1 685 . 10 1 1 A 61 61 GLU H H 61 7.730 8.097 -0.367 1
1 686 . 10 1 1 A 61 61 GLU HA H 61 4.190 4.108 0.082 1
1 691 . 10 1 1 A 61 61 GLU CA C 61 59.000 59.109 -0.109 1
1 692 . 10 1 1 A 61 61 GLU CB C 61 30.200 29.651 0.549 1
1 694 . 10 1 1 A 61 61 GLU N N 61 119.800 120.391 -0.591 1
1 695 . 10 1 1 A 62 62 GLN H H 62 8.220 7.847 0.373 1
1 696 . 10 1 1 A 62 62 GLN HA H 62 3.830 3.907 -0.077 1
1 703 . 10 1 1 A 62 62 GLN CA C 62 59.900 59.084 0.816 1
1 704 . 10 1 1 A 62 62 GLN CB C 62 29.000 28.093 0.907 1
1 706 . 10 1 1 A 62 62 GLN N N 62 118.700 118.881 -0.181 1
1 708 . 10 1 1 A 63 63 LEU H H 63 7.950 8.336 -0.386 1
1 709 . 10 1 1 A 63 63 LEU HA H 63 4.110 4.050 0.060 1
1 719 . 10 1 1 A 63 63 LEU CA C 63 58.000 58.064 -0.064 1
1 720 . 10 1 1 A 63 63 LEU CB C 63 41.400 41.485 -0.085 1
1 724 . 10 1 1 A 63 63 LEU N N 63 119.200 122.353 -3.153 1
1 725 . 10 1 1 A 64 64 THR H H 64 7.910 7.853 0.057 1
1 726 . 10 1 1 A 64 64 THR HA H 64 3.790 3.915 -0.125 1
1 731 . 10 1 1 A 64 64 THR CA C 64 66.800 65.579 1.221 1
1 732 . 10 1 1 A 64 64 THR CB C 64 68.700 68.710 -0.010 1
1 734 . 10 1 1 A 64 64 THR N N 64 116.000 114.539 1.461 1
1 735 . 10 1 1 A 65 65 ALA H H 65 7.520 7.526 -0.006 1
1 736 . 10 1 1 A 65 65 ALA HA H 65 3.970 3.768 0.202 1
1 740 . 10 1 1 A 65 65 ALA CA C 65 55.100 54.955 0.145 1
1 741 . 10 1 1 A 65 65 ALA CB C 65 17.900 18.216 -0.316 1
1 742 . 10 1 1 A 65 65 ALA N N 65 125.200 124.164 1.036 1
1 743 . 10 1 1 A 66 66 VAL H H 66 8.420 8.403 0.017 1
1 744 . 10 1 1 A 66 66 VAL HA H 66 3.840 3.434 0.406 1
1 752 . 10 1 1 A 66 66 VAL CA C 66 66.200 67.096 -0.896 1
1 753 . 10 1 1 A 66 66 VAL CB C 66 31.700 31.438 0.262 1
1 756 . 10 1 1 A 66 66 VAL N N 66 119.300 118.975 0.325 1
1 757 . 10 1 1 A 67 67 LYS H H 67 8.570 8.189 0.381 1
1 758 . 10 1 1 A 67 67 LYS HA H 67 3.960 3.988 -0.028 1
1 767 . 10 1 1 A 67 67 LYS CA C 67 60.300 59.742 0.558 1
1 768 . 10 1 1 A 67 67 LYS CB C 67 32.200 32.266 -0.066 1
1 772 . 10 1 1 A 67 67 LYS N N 67 120.600 120.195 0.405 1
1 773 . 10 1 1 A 68 68 ASP H H 68 7.660 7.986 -0.326 1
1 774 . 10 1 1 A 68 68 ASP HA H 68 4.290 4.398 -0.108 1
1 777 . 10 1 1 A 68 68 ASP CA C 68 58.300 57.765 0.535 1
1 778 . 10 1 1 A 68 68 ASP CB C 68 42.700 40.726 1.974 1
1 779 . 10 1 1 A 68 68 ASP N N 68 121.500 119.816 1.684 1
1 780 . 10 1 1 A 69 69 MET H H 69 8.620 8.411 0.209 1
1 781 . 10 1 1 A 69 69 MET HA H 69 4.250 4.539 -0.289 1
1 789 . 10 1 1 A 69 69 MET CA C 69 60.300 58.695 1.605 1
1 790 . 10 1 1 A 69 69 MET CB C 69 32.700 32.237 0.463 1
1 793 . 10 1 1 A 69 69 MET N N 69 120.100 119.464 0.636 1
1 794 . 10 1 1 A 70 70 ARG H H 70 8.500 8.388 0.112 1
1 795 . 10 1 1 A 70 70 ARG HA H 70 4.110 4.170 -0.060 1
1 802 . 10 1 1 A 70 70 ARG CA C 70 59.200 58.556 0.644 1
1 803 . 10 1 1 A 70 70 ARG CB C 70 29.600 29.642 -0.042 1
1 806 . 10 1 1 A 70 70 ARG N N 70 119.000 119.285 -0.285 1
1 807 . 10 1 1 A 71 71 LYS H H 71 8.020 7.912 0.108 1
1 808 . 10 1 1 A 71 71 LYS HA H 71 3.970 4.006 -0.036 1
1 817 . 10 1 1 A 71 71 LYS CA C 71 58.800 59.203 -0.403 1
1 818 . 10 1 1 A 71 71 LYS CB C 71 32.000 32.132 -0.132 1
1 822 . 10 1 1 A 71 71 LYS N N 71 121.100 120.147 0.953 1
1 823 . 10 1 1 A 72 72 ASN H H 72 6.960 7.263 -0.303 1
1 824 . 10 1 1 A 72 72 ASN HA H 72 4.090 4.564 -0.474 1
1 829 . 10 1 1 A 72 72 ASN CA C 72 53.300 52.806 0.494 1
1 830 . 10 1 1 A 72 72 ASN CB C 72 39.000 38.371 0.629 1
1 831 . 10 1 1 A 72 72 ASN N N 72 114.600 115.423 -0.823 1
1 833 . 10 1 1 A 73 73 GLY H H 73 7.560 7.538 0.022 1
1 834 . 10 1 1 A 73 73 GLY HA2 H 73 3.890 3.842 0.048 1
1 835 . 10 1 1 A 73 73 GLY HA3 H 73 3.760 3.917 -0.157 1
1 836 . 10 1 1 A 73 73 GLY CA C 73 45.900 44.921 0.979 1
1 837 . 10 1 1 A 73 73 GLY N N 73 106.700 106.842 -0.142 1
1 838 . 10 1 1 A 74 74 TRP H H 74 8.240 7.865 0.375 1
1 839 . 10 1 1 A 74 74 TRP HA H 74 5.260 4.759 0.501 1
1 848 . 10 1 1 A 74 74 TRP CA C 74 53.100 57.398 -4.298 1
1 849 . 10 1 1 A 74 74 TRP CB C 74 31.400 30.198 1.202 1
1 855 . 10 1 1 A 74 74 TRP N N 74 120.700 120.980 -0.280 1
1 857 . 10 1 1 A 75 75 VAL H H 75 9.410 8.781 0.629 1
1 858 . 10 1 1 A 75 75 VAL HA H 75 4.800 4.913 -0.113 1
1 866 . 10 1 1 A 75 75 VAL CA C 75 58.500 59.063 -0.563 1
1 867 . 10 1 1 A 75 75 VAL CB C 75 35.500 35.504 -0.004 1
1 870 . 10 1 1 A 75 75 VAL N N 75 112.100 115.104 -3.004 1
1 871 . 10 1 1 A 76 76 MET H H 76 8.800 8.779 0.021 1
1 872 . 10 1 1 A 76 76 MET HA H 76 4.650 4.533 0.117 1
1 880 . 10 1 1 A 76 76 MET CA C 76 56.900 55.867 1.033 1
1 881 . 10 1 1 A 76 76 MET CB C 76 32.600 32.719 -0.119 1
1 884 . 10 1 1 A 76 76 MET N N 76 122.400 122.985 -0.585 1
1 885 . 10 1 1 A 77 77 LEU H H 77 8.780 8.891 -0.111 1
1 886 . 10 1 1 A 77 77 LEU HA H 77 4.480 4.674 -0.194 1
1 896 . 10 1 1 A 77 77 LEU CA C 77 54.100 54.715 -0.615 1
1 897 . 10 1 1 A 77 77 LEU CB C 77 44.700 42.663 2.037 1
1 901 . 10 1 1 A 77 77 LEU N N 77 125.600 128.286 -2.686 1
1 902 . 10 1 1 A 78 78 GLY H H 78 7.590 7.385 0.205 1
1 903 . 10 1 1 A 78 78 GLY HA2 H 78 5.150 3.929 1.221 1
1 904 . 10 1 1 A 78 78 GLY HA3 H 78 3.660 3.954 -0.294 1
1 905 . 10 1 1 A 78 78 GLY CA C 78 45.700 44.414 1.286 1
1 906 . 10 1 1 A 78 78 GLY N N 78 102.900 106.536 -3.636 1
1 907 . 10 1 1 A 79 79 ASN H H 79 8.520 8.115 0.405 1
1 908 . 10 1 1 A 79 79 ASN HA H 79 5.230 5.557 -0.327 1
1 913 . 10 1 1 A 79 79 ASN CA C 79 51.100 51.580 -0.480 1
1 914 . 10 1 1 A 79 79 ASN CB C 79 41.500 41.707 -0.207 1
1 915 . 10 1 1 A 79 79 ASN N N 79 115.600 116.703 -1.103 1
1 917 . 10 1 1 A 80 80 PHE H H 80 8.410 8.532 -0.122 1
1 918 . 10 1 1 A 80 80 PHE HA H 80 6.120 5.984 0.136 1
1 926 . 10 1 1 A 80 80 PHE CA C 80 54.500 55.454 -0.954 1
1 927 . 10 1 1 A 80 80 PHE CB C 80 44.800 42.872 1.928 1
1 931 . 10 1 1 A 80 80 PHE N N 80 113.100 116.306 -3.206 1
1 932 . 10 1 1 A 81 81 HIS H H 81 8.310 9.160 -0.850 1
1 933 . 10 1 1 A 81 81 HIS HA H 81 5.300 5.086 0.214 1
1 938 . 10 1 1 A 81 81 HIS CA C 81 54.400 55.220 -0.820 1
1 939 . 10 1 1 A 81 81 HIS CB C 81 30.300 33.400 -3.100 1
1 942 . 10 1 1 A 81 81 HIS N N 81 111.600 121.304 -9.704 1
1 943 . 10 1 1 A 82 82 SER H H 82 8.390 8.411 -0.021 1
1 944 . 10 1 1 A 82 82 SER HA H 82 5.510 5.357 0.153 1
1 947 . 10 1 1 A 82 82 SER CA C 82 54.800 55.950 -1.150 1
1 948 . 10 1 1 A 82 82 SER CB C 82 66.700 66.372 0.328 1
1 949 . 10 1 1 A 82 82 SER N N 82 112.700 122.640 -9.940 1
1 950 . 10 1 1 A 83 83 HIS H H 83 8.890 8.803 0.087 1
1 951 . 10 1 1 A 83 83 HIS HA H 83 5.480 4.809 0.671 1
1 956 . 10 1 1 A 83 83 HIS CA C 83 49.900 53.881 -3.981 1
1 957 . 10 1 1 A 83 83 HIS CB C 83 32.000 31.375 0.625 1
1 960 . 10 1 1 A 83 83 HIS N N 83 115.200 120.974 -5.774 1
1 961 . 10 1 1 A 84 84 PRO HA H 84 3.940 4.412 -0.472 1
1 968 . 10 1 1 A 84 84 PRO CA C 84 65.600 65.061 0.539 1
1 969 . 10 1 1 A 84 84 PRO CB C 84 33.300 32.121 1.179 1
1 972 . 10 1 1 A 85 85 ALA H H 85 8.410 8.367 0.043 1
1 973 . 10 1 1 A 85 85 ALA HA H 85 4.670 4.499 0.171 1
1 977 . 10 1 1 A 85 85 ALA CA C 85 51.300 51.632 -0.332 1
1 978 . 10 1 1 A 85 85 ALA CB C 85 21.200 19.616 1.584 1
1 979 . 10 1 1 A 85 85 ALA N N 85 112.800 118.694 -5.894 1
1 980 . 10 1 1 A 86 86 THR H H 86 7.070 7.529 -0.459 1
1 981 . 10 1 1 A 86 86 THR HA H 86 4.960 5.014 -0.054 1
1 986 . 10 1 1 A 86 86 THR CA C 86 58.600 58.414 0.186 1
1 987 . 10 1 1 A 86 86 THR CB C 86 69.500 70.436 -0.936 1
1 989 . 10 1 1 A 86 86 THR N N 86 109.200 109.082 0.118 1
1 990 . 10 1 1 A 87 87 PRO HA H 87 4.630 4.712 -0.082 1
1 997 . 10 1 1 A 87 87 PRO CA C 87 62.700 62.308 0.392 1
1 998 . 10 1 1 A 87 87 PRO CB C 87 33.500 32.768 0.732 1
1 1001 . 10 1 1 A 88 88 ALA H H 88 9.760 8.389 1.371 1
1 1002 . 10 1 1 A 88 88 ALA HA H 88 3.960 4.485 -0.525 1
1 1006 . 10 1 1 A 88 88 ALA CA C 88 51.700 52.028 -0.328 1
1 1007 . 10 1 1 A 88 88 ALA CB C 88 16.300 20.317 -4.017 1
1 1008 . 10 1 1 A 88 88 ALA N N 88 127.600 123.476 4.124 1
1 1009 . 10 1 1 A 89 89 ARG H H 89 7.570 8.898 -1.328 1
1 1010 . 10 1 1 A 89 89 ARG HA H 89 4.280 3.389 0.891 1
1 1017 . 10 1 1 A 89 89 ARG CA C 89 53.200 56.657 -3.457 1
1 1018 . 10 1 1 A 89 89 ARG CB C 89 31.300 29.221 2.079 1
1 1021 . 10 1 1 A 89 89 ARG N N 89 118.300 119.281 -0.981 1
1 1022 . 10 1 1 A 90 90 PRO HA H 90 4.510 4.560 -0.050 1
1 1029 . 10 1 1 A 90 90 PRO CA C 90 62.900 62.591 0.309 1
1 1030 . 10 1 1 A 90 90 PRO CB C 90 31.300 32.215 -0.915 1
1 1033 . 10 1 1 A 91 91 SER H H 91 9.630 8.380 1.250 1
1 1034 . 10 1 1 A 91 91 SER HA H 91 4.600 4.598 0.002 1
1 1037 . 10 1 1 A 91 91 SER CA C 91 56.500 57.093 -0.593 1
1 1038 . 10 1 1 A 91 91 SER CB C 91 66.000 65.273 0.727 1
1 1039 . 10 1 1 A 91 91 SER N N 91 122.500 115.052 7.448 1
1 1040 . 10 1 1 A 92 92 ALA H H 92 8.910 8.951 -0.041 1
1 1041 . 10 1 1 A 92 92 ALA HA H 92 3.980 3.988 -0.008 1
1 1045 . 10 1 1 A 92 92 ALA CA C 92 55.900 55.412 0.488 1
1 1046 . 10 1 1 A 92 92 ALA CB C 92 17.800 18.054 -0.254 1
1 1047 . 10 1 1 A 92 92 ALA N N 92 123.000 123.389 -0.389 1
1 1048 . 10 1 1 A 93 93 GLU H H 93 8.370 7.999 0.371 1
1 1049 . 10 1 1 A 93 93 GLU HA H 93 4.070 3.995 0.075 1
1 1054 . 10 1 1 A 93 93 GLU CA C 93 58.900 59.627 -0.727 1
1 1055 . 10 1 1 A 93 93 GLU CB C 93 28.800 29.876 -1.076 1
1 1057 . 10 1 1 A 93 93 GLU N N 93 118.800 117.755 1.045 1
1 1058 . 10 1 1 A 94 94 ASP H H 94 7.770 7.793 -0.023 1
1 1059 . 10 1 1 A 94 94 ASP HA H 94 4.260 4.407 -0.147 1
1 1062 . 10 1 1 A 94 94 ASP CA C 94 57.100 56.801 0.299 1
1 1063 . 10 1 1 A 94 94 ASP CB C 94 40.200 40.216 -0.016 1
1 1064 . 10 1 1 A 94 94 ASP N N 94 119.200 120.035 -0.835 1
1 1065 . 10 1 1 A 95 95 LYS H H 95 7.830 8.007 -0.177 1
1 1066 . 10 1 1 A 95 95 LYS HA H 95 3.720 3.801 -0.081 1
1 1075 . 10 1 1 A 95 95 LYS CA C 95 59.500 58.998 0.502 1
1 1076 . 10 1 1 A 95 95 LYS CB C 95 31.900 31.821 0.079 1
1 1080 . 10 1 1 A 95 95 LYS N N 95 116.400 121.289 -4.889 1
1 1081 . 10 1 1 A 96 96 ARG H H 96 7.570 7.475 0.095 1
1 1082 . 10 1 1 A 96 96 ARG HA H 96 3.940 4.062 -0.122 1
1 1089 . 10 1 1 A 96 96 ARG CA C 96 58.500 58.196 0.304 1
1 1090 . 10 1 1 A 96 96 ARG CB C 96 30.100 30.420 -0.320 1
1 1093 . 10 1 1 A 96 96 ARG N N 96 119.400 118.740 0.660 1
1 1094 . 10 1 1 A 97 97 LEU H H 97 7.270 7.213 0.057 1
1 1095 . 10 1 1 A 97 97 LEU HA H 97 4.030 3.792 0.238 1
1 1105 . 10 1 1 A 97 97 LEU CA C 97 54.400 55.261 -0.861 1
1 1106 . 10 1 1 A 97 97 LEU CB C 97 41.600 41.550 0.050 1
1 1110 . 10 1 1 A 97 97 LEU N N 97 116.100 117.079 -0.979 1
1 1111 . 10 1 1 A 98 98 ALA H H 98 6.950 6.892 0.058 1
1 1112 . 10 1 1 A 98 98 ALA HA H 98 4.230 4.150 0.080 1
1 1116 . 10 1 1 A 98 98 ALA CA C 98 50.800 50.821 -0.021 1
1 1117 . 10 1 1 A 98 98 ALA CB C 98 16.700 17.981 -1.281 1
1 1118 . 10 1 1 A 98 98 ALA N N 98 124.800 122.400 2.400 1
1 1119 . 10 1 1 A 99 99 PHE H H 99 7.630 8.552 -0.922 1
1 1120 . 10 1 1 A 99 99 PHE HA H 99 4.490 4.541 -0.051 1
1 1128 . 10 1 1 A 99 99 PHE CA C 99 58.200 59.283 -1.083 1
1 1129 . 10 1 1 A 99 99 PHE CB C 99 39.500 40.064 -0.564 1
1 1133 . 10 1 1 A 99 99 PHE N N 99 120.400 122.234 -1.834 1
1 1134 . 10 1 1 A 100 100 ASP H H 100 7.320 7.921 -0.601 1
1 1135 . 10 1 1 A 100 100 ASP HA H 100 5.240 5.101 0.139 1
1 1138 . 10 1 1 A 100 100 ASP CA C 100 49.900 50.943 -1.043 1
1 1139 . 10 1 1 A 100 100 ASP CB C 100 42.200 41.870 0.330 1
1 1140 . 10 1 1 A 100 100 ASP N N 100 118.200 119.103 -0.903 1
1 1141 . 10 1 1 A 101 101 PRO HA H 101 5.040 4.745 0.295 1
1 1148 . 10 1 1 A 101 101 PRO CA C 101 64.200 64.122 0.078 1
1 1149 . 10 1 1 A 101 101 PRO CB C 101 32.800 31.906 0.894 1
1 1152 . 10 1 1 A 102 102 SER H H 102 8.950 8.106 0.844 1
1 1153 . 10 1 1 A 102 102 SER HA H 102 4.530 4.469 0.061 1
1 1156 . 10 1 1 A 102 102 SER CA C 102 59.300 58.311 0.989 1
1 1157 . 10 1 1 A 102 102 SER CB C 102 64.500 63.780 0.720 1
1 1158 . 10 1 1 A 102 102 SER N N 102 117.700 110.012 7.688 1
1 1159 . 10 1 1 A 103 103 LEU H H 103 6.850 7.422 -0.572 1
1 1160 . 10 1 1 A 103 103 LEU HA H 103 4.200 4.561 -0.361 1
1 1170 . 10 1 1 A 103 103 LEU CA C 103 53.700 53.681 0.019 1
1 1171 . 10 1 1 A 103 103 LEU CB C 103 41.800 43.094 -1.294 1
1 1175 . 10 1 1 A 103 103 LEU N N 103 121.100 123.749 -2.649 1
1 1176 . 10 1 1 A 104 104 SER H H 104 8.080 9.039 -0.959 1
1 1177 . 10 1 1 A 104 104 SER HA H 104 4.310 4.880 -0.570 1
1 1180 . 10 1 1 A 104 104 SER CA C 104 60.300 58.051 2.249 1
1 1181 . 10 1 1 A 104 104 SER CB C 104 63.300 63.733 -0.433 1
1 1182 . 10 1 1 A 104 104 SER N N 104 116.100 118.230 -2.130 1
1 1183 . 10 1 1 A 105 105 TYR H H 105 8.790 9.173 -0.383 1
1 1184 . 10 1 1 A 105 105 TYR HA H 105 4.750 5.066 -0.316 1
1 1191 . 10 1 1 A 105 105 TYR CA C 105 57.100 56.876 0.224 1
1 1192 . 10 1 1 A 105 105 TYR CB C 105 37.700 38.421 -0.721 1
1 1195 . 10 1 1 A 105 105 TYR N N 105 122.700 126.471 -3.771 1
1 1196 . 10 1 1 A 106 106 LEU H H 106 8.750 8.922 -0.172 1
1 1197 . 10 1 1 A 106 106 LEU HA H 106 5.290 5.096 0.194 1
1 1207 . 10 1 1 A 106 106 LEU CA C 106 56.000 54.074 1.926 1
1 1208 . 10 1 1 A 106 106 LEU CB C 106 43.400 42.524 0.876 1
1 1212 . 10 1 1 A 106 106 LEU N N 106 125.200 125.923 -0.723 1
1 1213 . 10 1 1 A 107 107 ILE H H 107 9.480 9.270 0.210 1
1 1214 . 10 1 1 A 107 107 ILE HA H 107 4.630 5.372 -0.742 1
1 1224 . 10 1 1 A 107 107 ILE CA C 107 59.700 60.259 -0.559 1
1 1225 . 10 1 1 A 107 107 ILE CB C 107 40.500 39.636 0.864 1
1 1229 . 10 1 1 A 107 107 ILE N N 107 123.800 125.368 -1.568 1
1 1230 . 10 1 1 A 108 108 ILE H H 108 7.820 9.193 -1.373 1
1 1231 . 10 1 1 A 108 108 ILE HA H 108 4.950 4.949 0.001 1
1 1241 . 10 1 1 A 108 108 ILE CA C 108 58.600 59.967 -1.367 1
1 1242 . 10 1 1 A 108 108 ILE CB C 108 41.700 40.272 1.428 1
1 1246 . 10 1 1 A 108 108 ILE N N 108 125.200 129.848 -4.648 1
1 1247 . 10 1 1 A 109 109 SER H H 109 9.780 8.897 0.883 1
1 1248 . 10 1 1 A 109 109 SER HA H 109 5.430 4.942 0.488 1
1 1251 . 10 1 1 A 109 109 SER CA C 109 56.400 56.596 -0.196 1
1 1252 . 10 1 1 A 109 109 SER CB C 109 64.900 64.098 0.802 1
1 1253 . 10 1 1 A 109 109 SER N N 109 120.300 121.523 -1.223 1
1 1254 . 10 1 1 A 110 110 LEU H H 110 8.110 8.988 -0.878 1
1 1255 . 10 1 1 A 110 110 LEU HA H 110 4.630 4.476 0.154 1
1 1265 . 10 1 1 A 110 110 LEU CA C 110 53.300 55.082 -1.782 1
1 1266 . 10 1 1 A 110 110 LEU CB C 110 41.100 41.956 -0.856 1
1 1270 . 10 1 1 A 110 110 LEU N N 110 130.700 128.424 2.276 1
1 1271 . 10 1 1 A 111 111 ALA H H 111 7.390 7.955 -0.565 1
1 1272 . 10 1 1 A 111 111 ALA HA H 111 3.920 4.130 -0.210 1
1 1276 . 10 1 1 A 111 111 ALA CA C 111 55.200 54.268 0.932 1
1 1277 . 10 1 1 A 111 111 ALA CB C 111 17.900 18.389 -0.489 1
1 1278 . 10 1 1 A 111 111 ALA N N 111 121.000 122.281 -1.281 1
1 1279 . 10 1 1 A 112 112 GLU H H 112 8.290 7.839 0.451 1
1 1280 . 10 1 1 A 112 112 GLU HA H 112 4.830 4.692 0.138 1
1 1285 . 10 1 1 A 112 112 GLU CA C 112 52.600 53.409 -0.809 1
1 1286 . 10 1 1 A 112 112 GLU CB C 112 29.300 30.364 -1.064 1
1 1288 . 10 1 1 A 112 112 GLU N N 112 116.400 117.608 -1.208 1
1 1289 . 10 1 1 A 113 113 PRO HA H 113 3.940 4.435 -0.495 1
1 1296 . 10 1 1 A 113 113 PRO CA C 113 65.600 64.200 1.400 1
1 1297 . 10 1 1 A 113 113 PRO CB C 113 31.900 31.743 0.157 1
1 1300 . 10 1 1 A 114 114 GLN H H 114 8.610 8.713 -0.103 1
1 1301 . 10 1 1 A 114 114 GLN HA H 114 4.250 4.105 0.145 1
1 1308 . 10 1 1 A 114 114 GLN CA C 114 56.100 58.337 -2.237 1
1 1309 . 10 1 1 A 114 114 GLN CB C 114 28.300 29.837 -1.537 1
1 1311 . 10 1 1 A 114 114 GLN N N 114 113.500 117.676 -4.176 1
1 1313 . 10 1 1 A 115 115 LYS H H 115 8.040 7.566 0.474 1
1 1314 . 10 1 1 A 115 115 LYS HA H 115 4.620 4.735 -0.115 1
1 1323 . 10 1 1 A 115 115 LYS CA C 115 53.500 53.717 -0.217 1
1 1324 . 10 1 1 A 115 115 LYS CB C 115 33.400 33.331 0.069 1
1 1328 . 10 1 1 A 115 115 LYS N N 115 121.000 119.265 1.735 1
1 1329 . 10 1 1 A 116 116 PRO HA H 116 4.560 4.683 -0.123 1
1 1336 . 10 1 1 A 116 116 PRO CA C 116 62.900 62.932 -0.032 1
1 1337 . 10 1 1 A 116 116 PRO CB C 116 32.500 31.626 0.874 1
1 1340 . 10 1 1 A 117 117 VAL H H 117 7.850 8.360 -0.510 1
1 1341 . 10 1 1 A 117 117 VAL HA H 117 4.360 4.140 0.220 1
1 1349 . 10 1 1 A 117 117 VAL CA C 117 61.200 62.026 -0.826 1
1 1350 . 10 1 1 A 117 117 VAL CB C 117 35.900 30.986 4.914 1
1 1353 . 10 1 1 A 117 117 VAL N N 117 120.600 123.051 -2.451 1
1 1354 . 10 1 1 A 118 118 CYS H H 118 8.820 9.009 -0.189 1
1 1355 . 10 1 1 A 118 118 CYS HA H 118 5.340 5.400 -0.060 1
1 1358 . 10 1 1 A 118 118 CYS CA C 118 56.400 57.002 -0.602 1
1 1359 . 10 1 1 A 118 118 CYS CB C 118 28.700 28.529 0.171 1
1 1360 . 10 1 1 A 118 118 CYS N N 118 127.100 126.040 1.060 1
1 1361 . 10 1 1 A 119 119 LYS H H 119 8.530 8.698 -0.168 1
1 1362 . 10 1 1 A 119 119 LYS HA H 119 4.590 4.754 -0.164 1
1 1371 . 10 1 1 A 119 119 LYS CA C 119 54.900 54.639 0.261 1
1 1372 . 10 1 1 A 119 119 LYS CB C 119 39.600 35.874 3.726 1
1 1376 . 10 1 1 A 119 119 LYS N N 119 126.400 124.997 1.403 1
1 1377 . 10 1 1 A 120 120 SER H H 120 8.220 8.542 -0.322 1
1 1378 . 10 1 1 A 120 120 SER HA H 120 4.870 4.991 -0.121 1
1 1381 . 10 1 1 A 120 120 SER CA C 120 56.300 56.902 -0.602 1
1 1382 . 10 1 1 A 120 120 SER CB C 120 63.300 64.434 -1.134 1
1 1383 . 10 1 1 A 120 120 SER N N 120 114.500 116.965 -2.465 1
1 1384 . 10 1 1 A 121 121 PHE H H 121 8.450 9.498 -1.048 1
1 1385 . 10 1 1 A 121 121 PHE HA H 121 5.160 5.109 0.051 1
1 1393 . 10 1 1 A 121 121 PHE CA C 121 57.200 56.123 1.077 1
1 1394 . 10 1 1 A 121 121 PHE CB C 121 42.700 42.021 0.679 1
1 1398 . 10 1 1 A 121 121 PHE N N 121 124.400 126.245 -1.845 1
1 1399 . 10 1 1 A 122 122 LEU H H 122 9.070 9.845 -0.775 1
1 1400 . 10 1 1 A 122 122 LEU HA H 122 5.270 4.993 0.277 1
1 1410 . 10 1 1 A 122 122 LEU CA C 122 53.300 53.778 -0.478 1
1 1411 . 10 1 1 A 122 122 LEU CB C 122 42.200 42.171 0.029 1
1 1415 . 10 1 1 A 122 122 LEU N N 122 120.900 124.308 -3.408 1
1 1416 . 10 1 1 A 123 123 ILE H H 123 9.730 8.848 0.882 1
1 1417 . 10 1 1 A 123 123 ILE HA H 123 4.290 4.452 -0.162 1
1 1427 . 10 1 1 A 123 123 ILE CA C 123 61.400 60.655 0.745 1
1 1428 . 10 1 1 A 123 123 ILE CB C 123 38.000 37.102 0.898 1
1 1432 . 10 1 1 A 123 123 ILE N N 123 125.900 125.759 0.141 1
1 1433 . 10 1 1 A 124 124 LYS H H 124 8.080 8.830 -0.750 1
1 1434 . 10 1 1 A 124 124 LYS HA H 124 4.720 4.649 0.071 1
1 1443 . 10 1 1 A 124 124 LYS CA C 124 54.100 54.442 -0.342 1
1 1444 . 10 1 1 A 124 124 LYS CB C 124 34.700 34.827 -0.127 1
1 1448 . 10 1 1 A 124 124 LYS N N 124 124.600 127.980 -3.380 1
1 1449 . 10 1 1 A 125 125 LYS H H 125 8.830 8.921 -0.091 1
1 1450 . 10 1 1 A 125 125 LYS HA H 125 4.000 3.884 0.116 1
1 1459 . 10 1 1 A 125 125 LYS CA C 125 59.000 60.162 -1.162 1
1 1460 . 10 1 1 A 125 125 LYS CB C 125 31.700 32.245 -0.545 1
1 1464 . 10 1 1 A 125 125 LYS N N 125 120.900 123.916 -3.016 1
1 1465 . 10 1 1 A 126 126 ASP H H 126 8.160 8.193 -0.033 1
1 1466 . 10 1 1 A 126 126 ASP HA H 126 4.650 4.361 0.289 1
1 1469 . 10 1 1 A 126 126 ASP CA C 126 53.100 57.037 -3.937 1
1 1470 . 10 1 1 A 126 126 ASP CB C 126 40.300 41.016 -0.716 1
1 1471 . 10 1 1 A 126 126 ASP N N 126 113.200 118.807 -5.607 1
1 1472 . 10 1 1 A 127 127 GLY H H 127 7.370 7.569 -0.199 1
1 1473 . 10 1 1 A 127 127 GLY HA2 H 127 4.300 4.109 0.191 1
1 1474 . 10 1 1 A 127 127 GLY HA3 H 127 3.900 4.122 -0.222 1
1 1475 . 10 1 1 A 127 127 GLY CA C 127 45.200 45.566 -0.366 1
1 1476 . 10 1 1 A 127 127 GLY N N 127 107.600 103.179 4.421 1
1 1477 . 10 1 1 A 128 128 VAL H H 128 8.130 8.415 -0.285 1
1 1478 . 10 1 1 A 128 128 VAL HA H 128 4.900 5.061 -0.161 1
1 1486 . 10 1 1 A 128 128 VAL CA C 128 60.900 61.007 -0.107 1
1 1487 . 10 1 1 A 128 128 VAL CB C 128 34.000 34.422 -0.422 1
1 1490 . 10 1 1 A 128 128 VAL N N 128 118.900 121.061 -2.161 1
1 1491 . 10 1 1 A 129 129 ASP H H 129 9.250 9.066 0.184 1
1 1492 . 10 1 1 A 129 129 ASP HA H 129 5.220 5.318 -0.098 1
1 1495 . 10 1 1 A 129 129 ASP CA C 129 52.300 52.760 -0.460 1
1 1496 . 10 1 1 A 129 129 ASP CB C 129 43.600 43.881 -0.281 1
1 1497 . 10 1 1 A 129 129 ASP N N 129 126.500 127.702 -1.202 1
1 1498 . 10 1 1 A 130 130 GLU H H 130 8.900 8.753 0.147 1
1 1499 . 10 1 1 A 130 130 GLU HA H 130 4.420 4.850 -0.430 1
1 1504 . 10 1 1 A 130 130 GLU CA C 130 56.400 55.924 0.476 1
1 1505 . 10 1 1 A 130 130 GLU CB C 130 29.800 30.732 -0.932 1
1 1507 . 10 1 1 A 130 130 GLU N N 130 124.000 123.549 0.451 1
1 1508 . 10 1 1 A 131 131 GLU H H 131 8.860 8.762 0.098 1
1 1509 . 10 1 1 A 131 131 GLU HA H 131 4.430 4.907 -0.477 1
1 1514 . 10 1 1 A 131 131 GLU CA C 131 53.500 54.941 -1.441 1
1 1515 . 10 1 1 A 131 131 GLU CB C 131 32.500 32.061 0.439 1
1 1517 . 10 1 1 A 131 131 GLU N N 131 129.200 124.543 4.657 1
1 1518 . 10 1 1 A 132 132 GLU H H 132 8.610 8.425 0.185 1
1 1519 . 10 1 1 A 132 132 GLU HA H 132 4.050 4.193 -0.143 1
1 1524 . 10 1 1 A 132 132 GLU CA C 132 57.100 56.616 0.484 1
1 1525 . 10 1 1 A 132 132 GLU CB C 132 30.100 29.900 0.200 1
1 1527 . 10 1 1 A 132 132 GLU N N 132 126.400 123.186 3.214 1
1 1528 . 10 1 1 A 133 133 ILE H H 133 8.200 8.750 -0.550 1
1 1529 . 10 1 1 A 133 133 ILE HA H 133 4.740 5.039 -0.299 1
1 1539 . 10 1 1 A 133 133 ILE CA C 133 60.000 59.654 0.346 1
1 1540 . 10 1 1 A 133 133 ILE CB C 133 39.300 38.959 0.341 1
1 1544 . 10 1 1 A 133 133 ILE N N 133 124.500 125.057 -0.557 1
1 1545 . 10 1 1 A 134 134 ILE H H 134 9.000 9.397 -0.397 1
1 1546 . 10 1 1 A 134 134 ILE HA H 134 4.190 4.801 -0.611 1
1 1556 . 10 1 1 A 134 134 ILE CA C 134 59.000 59.462 -0.462 1
1 1557 . 10 1 1 A 134 134 ILE CB C 134 38.300 39.300 -1.000 1
1 1561 . 10 1 1 A 134 134 ILE N N 134 130.900 128.302 2.598 1
1 1562 . 10 1 1 A 135 135 LEU H H 135 8.360 9.060 -0.700 1
1 1563 . 10 1 1 A 135 135 LEU HA H 135 5.190 5.587 -0.397 1
1 1573 . 10 1 1 A 135 135 LEU CA C 135 52.700 53.229 -0.529 1
1 1574 . 10 1 1 A 135 135 LEU CB C 135 42.800 45.080 -2.280 1
1 1578 . 10 1 1 A 135 135 LEU N N 135 127.100 126.668 0.432 1
1 1579 . 10 1 1 A 136 136 LYS H H 136 8.790 8.433 0.357 1
1 1580 . 10 1 1 A 136 136 LYS HA H 136 4.330 4.622 -0.292 1
1 1589 . 10 1 1 A 136 136 LYS CA C 136 55.600 55.471 0.129 1
1 1590 . 10 1 1 A 136 136 LYS CB C 136 34.600 35.565 -0.965 1
1 1594 . 10 1 1 A 136 136 LYS N N 136 125.100 120.820 4.280 1
1 1595 . 10 1 1 A 137 137 GLU H H 137 8.850 8.974 -0.124 1
1 1596 . 10 1 1 A 137 137 GLU HA H 137 4.240 4.266 -0.026 1
1 1601 . 10 1 1 A 137 137 GLU CA C 137 57.600 57.957 -0.357 1
1 1602 . 10 1 1 A 137 137 GLU CB C 137 29.900 30.924 -1.024 1
1 1604 . 10 1 1 A 137 137 GLU N N 137 121.100 121.046 0.054 1
1 1605 . 10 1 1 A 138 138 GLU H H 138 8.150 7.617 0.533 1
1 1606 . 10 1 1 A 138 138 GLU HA H 138 4.370 4.780 -0.410 1
1 1611 . 10 1 1 A 138 138 GLU CA C 138 55.800 54.685 1.115 1
1 1612 . 10 1 1 A 138 138 GLU CB C 138 30.700 33.474 -2.774 1
1 1614 . 10 1 1 A 138 138 GLU N N 138 119.300 117.613 1.687 1
1 1615 . 10 1 1 A 139 139 LEU H H 139 8.240 8.449 -0.209 1
1 1616 . 10 1 1 A 139 139 LEU HA H 139 4.180 4.522 -0.342 1
1 1626 . 10 1 1 A 139 139 LEU CA C 139 55.400 54.066 1.334 1
1 1627 . 10 1 1 A 139 139 LEU CB C 139 42.300 42.444 -0.144 1
1 1631 . 10 1 1 A 139 139 LEU N N 139 122.800 121.317 1.483 1
1 1632 . 10 1 1 A 140 140 GLU H H 140 8.250 8.353 -0.103 1
1 1633 . 10 1 1 A 140 140 GLU HA H 140 4.150 4.205 -0.055 1
1 1638 . 10 1 1 A 140 140 GLU CA C 140 56.400 55.800 0.600 1
1 1639 . 10 1 1 A 140 140 GLU CB C 140 29.900 30.517 -0.617 1
1 1641 . 10 1 1 A 140 140 GLU N N 140 120.700 118.998 1.702 1
1 1642 . 10 1 1 A 141 141 HIS H H 141 8.400 8.383 0.017 1
1 13 . 11 1 1 A 2 2 ILE H H 2 8.780 8.885 -0.105 1
1 14 . 11 1 1 A 2 2 ILE HA H 2 5.060 4.931 0.129 1
1 24 . 11 1 1 A 2 2 ILE CA C 2 58.500 59.259 -0.759 1
1 25 . 11 1 1 A 2 2 ILE CB C 2 41.300 40.755 0.545 1
1 29 . 11 1 1 A 2 2 ILE N N 2 124.600 122.911 1.689 1
1 30 . 11 1 1 A 3 3 THR H H 3 8.280 8.777 -0.497 1
1 31 . 11 1 1 A 3 3 THR HA H 3 5.350 5.176 0.174 1
1 36 . 11 1 1 A 3 3 THR CA C 3 60.900 62.252 -1.352 1
1 37 . 11 1 1 A 3 3 THR CB C 3 69.900 70.413 -0.513 1
1 39 . 11 1 1 A 3 3 THR N N 3 123.200 124.983 -1.783 1
1 40 . 11 1 1 A 4 4 LEU H H 4 8.710 8.910 -0.200 1
1 41 . 11 1 1 A 4 4 LEU HA H 4 5.040 5.249 -0.209 1
1 51 . 11 1 1 A 4 4 LEU CA C 4 53.800 53.201 0.599 1
1 52 . 11 1 1 A 4 4 LEU CB C 4 45.800 45.924 -0.124 1
1 56 . 11 1 1 A 4 4 LEU N N 4 127.600 123.133 4.467 1
1 57 . 11 1 1 A 5 5 THR H H 5 8.440 8.509 -0.069 1
1 58 . 11 1 1 A 5 5 THR HA H 5 5.040 4.868 0.172 1
1 63 . 11 1 1 A 5 5 THR CA C 5 59.300 60.436 -1.136 1
1 64 . 11 1 1 A 5 5 THR CB C 5 71.000 71.547 -0.547 1
1 66 . 11 1 1 A 5 5 THR N N 5 109.500 111.694 -2.194 1
1 67 . 11 1 1 A 6 6 LYS H H 6 8.730 8.786 -0.056 1
1 68 . 11 1 1 A 6 6 LYS HA H 6 3.810 3.940 -0.130 1
1 77 . 11 1 1 A 6 6 LYS CA C 6 60.000 60.260 -0.260 1
1 78 . 11 1 1 A 6 6 LYS CB C 6 32.000 31.967 0.033 1
1 82 . 11 1 1 A 6 6 LYS N N 6 121.500 121.807 -0.307 1
1 83 . 11 1 1 A 7 7 LYS H H 7 8.290 7.994 0.296 1
1 84 . 11 1 1 A 7 7 LYS HA H 7 3.990 3.946 0.044 1
1 93 . 11 1 1 A 7 7 LYS CA C 7 59.200 59.751 -0.551 1
1 94 . 11 1 1 A 7 7 LYS CB C 7 32.400 32.203 0.197 1
1 98 . 11 1 1 A 7 7 LYS N N 7 118.800 120.336 -1.536 1
1 99 . 11 1 1 A 8 8 GLN H H 8 7.650 8.172 -0.522 1
1 100 . 11 1 1 A 8 8 GLN HA H 8 3.890 3.958 -0.068 1
1 107 . 11 1 1 A 8 8 GLN CA C 8 58.100 59.161 -1.061 1
1 108 . 11 1 1 A 8 8 GLN CB C 8 27.400 28.624 -1.224 1
1 110 . 11 1 1 A 8 8 GLN N N 8 119.800 118.544 1.256 1
1 112 . 11 1 1 A 9 9 MET H H 9 8.130 8.015 0.115 1
1 113 . 11 1 1 A 9 9 MET HA H 9 4.130 3.980 0.150 1
1 121 . 11 1 1 A 9 9 MET CA C 9 57.500 58.271 -0.771 1
1 122 . 11 1 1 A 9 9 MET CB C 9 30.900 31.939 -1.039 1
1 125 . 11 1 1 A 9 9 MET N N 9 118.300 119.659 -1.359 1
1 126 . 11 1 1 A 10 10 GLU H H 10 8.460 8.303 0.157 1
1 127 . 11 1 1 A 10 10 GLU HA H 10 3.890 3.949 -0.059 1
1 132 . 11 1 1 A 10 10 GLU CA C 10 59.100 59.491 -0.391 1
1 133 . 11 1 1 A 10 10 GLU CB C 10 28.500 29.132 -0.632 1
1 135 . 11 1 1 A 10 10 GLU N N 10 118.500 118.215 0.285 1
1 136 . 11 1 1 A 11 11 GLU H H 11 8.200 8.658 -0.458 1
1 137 . 11 1 1 A 11 11 GLU HA H 11 4.070 4.045 0.025 1
1 142 . 11 1 1 A 11 11 GLU CA C 11 59.200 59.264 -0.064 1
1 143 . 11 1 1 A 11 11 GLU CB C 11 28.900 28.978 -0.078 1
1 145 . 11 1 1 A 11 11 GLU N N 11 120.800 119.918 0.882 1
1 146 . 11 1 1 A 12 12 MET H H 12 7.780 8.229 -0.449 1
1 147 . 11 1 1 A 12 12 MET HA H 12 3.390 4.095 -0.705 1
1 155 . 11 1 1 A 12 12 MET CA C 12 60.600 58.402 2.198 1
1 156 . 11 1 1 A 12 12 MET CB C 12 33.900 33.171 0.729 1
1 159 . 11 1 1 A 12 12 MET N N 12 119.300 118.827 0.473 1
1 160 . 11 1 1 A 13 13 LEU H H 13 8.340 8.726 -0.386 1
1 161 . 11 1 1 A 13 13 LEU HA H 13 3.770 3.967 -0.197 1
1 171 . 11 1 1 A 13 13 LEU CA C 13 58.000 57.951 0.049 1
1 172 . 11 1 1 A 13 13 LEU CB C 13 41.400 41.659 -0.259 1
1 176 . 11 1 1 A 13 13 LEU N N 13 118.600 119.664 -1.064 1
1 177 . 11 1 1 A 14 14 ALA H H 14 8.620 8.503 0.117 1
1 178 . 11 1 1 A 14 14 ALA HA H 14 4.100 4.094 0.006 1
1 182 . 11 1 1 A 14 14 ALA CA C 14 55.200 55.225 -0.025 1
1 183 . 11 1 1 A 14 14 ALA CB C 14 17.800 18.256 -0.456 1
1 184 . 11 1 1 A 14 14 ALA N N 14 121.500 120.895 0.605 1
1 185 . 11 1 1 A 15 15 HIS H H 15 7.780 7.802 -0.022 1
1 186 . 11 1 1 A 15 15 HIS HA H 15 4.460 4.261 0.199 1
1 190 . 11 1 1 A 15 15 HIS CA C 15 59.000 59.618 -0.618 1
1 191 . 11 1 1 A 15 15 HIS CB C 15 29.300 29.351 -0.051 1
1 193 . 11 1 1 A 15 15 HIS N N 15 116.700 118.095 -1.395 1
1 194 . 11 1 1 A 16 16 ALA H H 16 8.390 8.515 -0.125 1
1 195 . 11 1 1 A 16 16 ALA HA H 16 4.100 4.045 0.055 1
1 199 . 11 1 1 A 16 16 ALA CA C 16 54.500 55.436 -0.936 1
1 200 . 11 1 1 A 16 16 ALA CB C 16 18.200 18.282 -0.082 1
1 201 . 11 1 1 A 16 16 ALA N N 16 120.000 121.188 -1.188 1
1 202 . 11 1 1 A 17 17 ARG H H 17 8.820 8.205 0.615 1
1 203 . 11 1 1 A 17 17 ARG HA H 17 3.890 4.072 -0.182 1
1 210 . 11 1 1 A 17 17 ARG CA C 17 59.900 59.708 0.192 1
1 211 . 11 1 1 A 17 17 ARG CB C 17 30.100 29.853 0.247 1
1 214 . 11 1 1 A 17 17 ARG N N 17 118.900 117.468 1.432 1
1 215 . 11 1 1 A 18 18 GLN H H 18 8.130 8.075 0.055 1
1 216 . 11 1 1 A 18 18 GLN HA H 18 4.060 4.095 -0.035 1
1 223 . 11 1 1 A 18 18 GLN CA C 18 57.900 58.190 -0.290 1
1 224 . 11 1 1 A 18 18 GLN CB C 18 28.000 28.644 -0.644 1
1 226 . 11 1 1 A 18 18 GLN N N 18 118.100 118.624 -0.524 1
1 228 . 11 1 1 A 19 19 ALA H H 19 7.090 7.313 -0.223 1
1 229 . 11 1 1 A 19 19 ALA HA H 19 4.220 4.349 -0.129 1
1 233 . 11 1 1 A 19 19 ALA CA C 19 52.300 51.758 0.542 1
1 234 . 11 1 1 A 19 19 ALA CB C 19 20.600 20.176 0.424 1
1 235 . 11 1 1 A 19 19 ALA N N 19 117.600 121.007 -3.407 1
1 236 . 11 1 1 A 20 20 LEU H H 20 7.020 7.206 -0.186 1
1 237 . 11 1 1 A 20 20 LEU HA H 20 4.110 4.434 -0.324 1
1 247 . 11 1 1 A 20 20 LEU CA C 20 54.600 53.812 0.788 1
1 248 . 11 1 1 A 20 20 LEU CB C 20 40.400 41.306 -0.906 1
1 252 . 11 1 1 A 20 20 LEU N N 20 117.900 122.374 -4.474 1
1 253 . 11 1 1 A 21 21 PRO HA H 21 4.320 4.642 -0.322 1
1 260 . 11 1 1 A 21 21 PRO CA C 21 63.700 63.463 0.237 1
1 261 . 11 1 1 A 21 21 PRO CB C 21 35.000 31.783 3.217 1
1 264 . 11 1 1 A 22 22 ASN H H 22 8.690 8.033 0.657 1
1 265 . 11 1 1 A 22 22 ASN HA H 22 4.570 5.025 -0.455 1
1 270 . 11 1 1 A 22 22 ASN CA C 22 52.400 52.303 0.097 1
1 271 . 11 1 1 A 22 22 ASN CB C 22 40.000 40.140 -0.140 1
1 272 . 11 1 1 A 22 22 ASN N N 22 122.000 121.041 0.959 1
1 274 . 11 1 1 A 23 23 GLU H H 23 8.540 8.588 -0.048 1
1 275 . 11 1 1 A 23 23 GLU HA H 23 4.050 4.573 -0.523 1
1 280 . 11 1 1 A 23 23 GLU CA C 23 57.300 57.075 0.225 1
1 281 . 11 1 1 A 23 23 GLU CB C 23 29.000 29.762 -0.762 1
1 283 . 11 1 1 A 23 23 GLU N N 23 116.100 121.814 -5.714 1
1 284 . 11 1 1 A 24 24 ALA H H 24 8.390 8.371 0.019 1
1 285 . 11 1 1 A 24 24 ALA HA H 24 5.040 4.515 0.525 1
1 289 . 11 1 1 A 24 24 ALA CA C 24 48.900 52.765 -3.865 1
1 290 . 11 1 1 A 24 24 ALA CB C 24 23.200 19.417 3.783 1
1 291 . 11 1 1 A 24 24 ALA N N 24 124.800 126.887 -2.087 1
1 292 . 11 1 1 A 25 25 CYS H H 25 8.910 8.933 -0.023 1
1 293 . 11 1 1 A 25 25 CYS HA H 25 5.000 5.245 -0.245 1
1 296 . 11 1 1 A 25 25 CYS CA C 25 55.000 57.717 -2.717 1
1 297 . 11 1 1 A 25 25 CYS CB C 25 32.600 31.923 0.677 1
1 298 . 11 1 1 A 25 25 CYS N N 25 111.700 120.857 -9.157 1
1 299 . 11 1 1 A 26 26 GLY H H 26 7.110 7.835 -0.725 1
1 300 . 11 1 1 A 26 26 GLY HA2 H 26 3.820 3.627 0.193 1
1 301 . 11 1 1 A 26 26 GLY HA3 H 26 4.070 3.948 0.122 1
1 302 . 11 1 1 A 26 26 GLY CA C 26 46.500 45.059 1.441 1
1 303 . 11 1 1 A 26 26 GLY N N 26 103.200 108.606 -5.406 1
1 304 . 11 1 1 A 27 27 LEU H H 27 8.830 8.760 0.070 1
1 305 . 11 1 1 A 27 27 LEU HA H 27 5.200 5.199 0.001 1
1 315 . 11 1 1 A 27 27 LEU CA C 27 53.200 53.313 -0.113 1
1 316 . 11 1 1 A 27 27 LEU CB C 27 46.600 45.903 0.697 1
1 320 . 11 1 1 A 27 27 LEU N N 27 116.700 120.736 -4.036 1
1 321 . 11 1 1 A 28 28 LEU H H 28 8.060 8.748 -0.688 1
1 322 . 11 1 1 A 28 28 LEU HA H 28 5.200 5.138 0.062 1
1 332 . 11 1 1 A 28 28 LEU CA C 28 53.400 52.825 0.575 1
1 333 . 11 1 1 A 28 28 LEU CB C 28 44.900 44.608 0.292 1
1 337 . 11 1 1 A 28 28 LEU N N 28 118.200 121.443 -3.243 1
1 338 . 11 1 1 A 29 29 GLY H H 29 9.210 8.658 0.552 1
1 339 . 11 1 1 A 29 29 GLY HA2 H 29 3.750 4.288 -0.538 1
1 340 . 11 1 1 A 29 29 GLY HA3 H 29 5.800 4.303 1.497 1
1 341 . 11 1 1 A 29 29 GLY CA C 29 43.600 44.418 -0.818 1
1 342 . 11 1 1 A 29 29 GLY N N 29 109.500 112.039 -2.539 1
1 343 . 11 1 1 A 30 30 GLY H H 30 9.520 8.376 1.144 1
1 344 . 11 1 1 A 30 30 GLY HA2 H 30 3.210 3.649 -0.439 1
1 345 . 11 1 1 A 30 30 GLY HA3 H 30 4.800 4.121 0.679 1
1 346 . 11 1 1 A 30 30 GLY CA C 30 47.500 45.795 1.705 1
1 347 . 11 1 1 A 30 30 GLY N N 30 111.700 109.489 2.211 1
1 348 . 11 1 1 A 31 31 ARG H H 31 8.900 8.280 0.620 1
1 349 . 11 1 1 A 31 31 ARG HA H 31 5.170 5.172 -0.002 1
1 356 . 11 1 1 A 31 31 ARG CA C 31 54.200 54.733 -0.533 1
1 357 . 11 1 1 A 31 31 ARG CB C 31 34.200 33.858 0.342 1
1 360 . 11 1 1 A 31 31 ARG N N 31 123.000 122.276 0.724 1
1 361 . 11 1 1 A 32 32 ARG H H 32 9.070 9.220 -0.150 1
1 362 . 11 1 1 A 32 32 ARG HA H 32 5.140 5.336 -0.196 1
1 369 . 11 1 1 A 32 32 ARG CA C 32 54.700 54.100 0.600 1
1 370 . 11 1 1 A 32 32 ARG CB C 32 33.700 34.356 -0.656 1
1 373 . 11 1 1 A 32 32 ARG N N 32 121.500 119.879 1.621 1
1 374 . 11 1 1 A 33 33 ASP H H 33 8.640 9.025 -0.385 1
1 375 . 11 1 1 A 33 33 ASP HA H 33 4.850 4.852 -0.002 1
1 378 . 11 1 1 A 33 33 ASP CA C 33 53.400 52.446 0.954 1
1 379 . 11 1 1 A 33 33 ASP CB C 33 42.100 43.289 -1.189 1
1 380 . 11 1 1 A 33 33 ASP N N 33 124.200 120.010 4.190 1
1 381 . 11 1 1 A 34 34 GLY H H 34 9.020 8.805 0.215 1
1 382 . 11 1 1 A 34 34 GLY HA2 H 34 3.670 3.772 -0.102 1
1 383 . 11 1 1 A 34 34 GLY HA3 H 34 4.000 3.774 0.226 1
1 384 . 11 1 1 A 34 34 GLY CA C 34 47.200 47.714 -0.514 1
1 385 . 11 1 1 A 34 34 GLY N N 34 115.900 109.830 6.070 1
1 386 . 11 1 1 A 35 35 ASP H H 35 9.070 8.149 0.921 1
1 387 . 11 1 1 A 35 35 ASP HA H 35 4.650 4.881 -0.231 1
1 390 . 11 1 1 A 35 35 ASP CA C 35 54.800 53.514 1.286 1
1 391 . 11 1 1 A 35 35 ASP CB C 35 41.000 43.541 -2.541 1
1 392 . 11 1 1 A 35 35 ASP N N 35 127.300 119.621 7.679 1
1 393 . 11 1 1 A 36 36 ASP H H 36 8.070 7.724 0.346 1
1 394 . 11 1 1 A 36 36 ASP HA H 36 4.950 4.317 0.633 1
1 397 . 11 1 1 A 36 36 ASP CA C 36 53.700 54.575 -0.875 1
1 398 . 11 1 1 A 36 36 ASP CB C 36 41.700 40.822 0.878 1
1 399 . 11 1 1 A 36 36 ASP N N 36 120.600 119.861 0.739 1
1 400 . 11 1 1 A 37 37 ARG H H 37 8.070 8.566 -0.496 1
1 401 . 11 1 1 A 37 37 ARG HA H 37 4.850 4.752 0.098 1
1 408 . 11 1 1 A 37 37 ARG CA C 37 55.400 54.093 1.307 1
1 409 . 11 1 1 A 37 37 ARG CB C 37 32.900 33.056 -0.156 1
1 412 . 11 1 1 A 37 37 ARG N N 37 120.800 119.577 1.223 1
1 413 . 11 1 1 A 38 38 TRP H H 38 9.380 9.468 -0.088 1
1 414 . 11 1 1 A 38 38 TRP HA H 38 4.840 5.354 -0.514 1
1 423 . 11 1 1 A 38 38 TRP CA C 38 57.000 55.526 1.474 1
1 424 . 11 1 1 A 38 38 TRP CB C 38 30.100 31.795 -1.695 1
1 430 . 11 1 1 A 38 38 TRP N N 38 124.900 122.952 1.948 1
1 432 . 11 1 1 A 39 39 VAL H H 39 8.450 9.235 -0.785 1
1 433 . 11 1 1 A 39 39 VAL HA H 39 3.390 4.050 -0.660 1
1 441 . 11 1 1 A 39 39 VAL CA C 39 64.500 62.963 1.537 1
1 442 . 11 1 1 A 39 39 VAL CB C 39 31.500 30.961 0.539 1
1 445 . 11 1 1 A 39 39 VAL N N 39 124.400 125.053 -0.653 1
1 446 . 11 1 1 A 40 40 GLU H H 40 9.080 8.275 0.805 1
1 447 . 11 1 1 A 40 40 GLU HA H 40 4.350 4.327 0.023 1
1 452 . 11 1 1 A 40 40 GLU CA C 40 54.900 57.447 -2.547 1
1 453 . 11 1 1 A 40 40 GLU CB C 40 29.500 30.947 -1.447 1
1 455 . 11 1 1 A 40 40 GLU N N 40 124.200 127.327 -3.127 1
1 456 . 11 1 1 A 41 41 ARG H H 41 7.610 7.046 0.564 1
1 457 . 11 1 1 A 41 41 ARG HA H 41 4.070 4.544 -0.474 1
1 464 . 11 1 1 A 41 41 ARG CA C 41 56.800 55.134 1.666 1
1 465 . 11 1 1 A 41 41 ARG CB C 41 33.600 32.926 0.674 1
1 468 . 11 1 1 A 41 41 ARG N N 41 120.000 120.256 -0.256 1
1 469 . 11 1 1 A 42 42 VAL H H 42 8.460 8.528 -0.068 1
1 470 . 11 1 1 A 42 42 VAL HA H 42 4.300 4.352 -0.052 1
1 478 . 11 1 1 A 42 42 VAL CA C 42 60.900 61.129 -0.229 1
1 479 . 11 1 1 A 42 42 VAL CB C 42 32.900 32.724 0.176 1
1 482 . 11 1 1 A 42 42 VAL N N 42 125.600 126.903 -1.303 1
1 483 . 11 1 1 A 43 43 TYR H H 43 9.070 8.726 0.344 1
1 484 . 11 1 1 A 43 43 TYR HA H 43 4.930 5.200 -0.270 1
1 491 . 11 1 1 A 43 43 TYR CA C 43 54.600 55.024 -0.424 1
1 492 . 11 1 1 A 43 43 TYR CB C 43 38.500 39.041 -0.541 1
1 495 . 11 1 1 A 43 43 TYR N N 43 124.800 126.337 -1.537 1
1 496 . 11 1 1 A 44 44 PRO HA H 44 4.260 4.743 -0.483 1
1 503 . 11 1 1 A 44 44 PRO CA C 44 63.200 62.204 0.996 1
1 504 . 11 1 1 A 44 44 PRO CB C 44 30.100 29.911 0.189 1
1 507 . 11 1 1 A 45 45 LEU H H 45 8.270 7.638 0.632 1
1 508 . 11 1 1 A 45 45 LEU HA H 45 4.930 4.447 0.483 1
1 518 . 11 1 1 A 45 45 LEU CA C 45 53.800 54.742 -0.942 1
1 519 . 11 1 1 A 45 45 LEU CB C 45 45.600 42.213 3.387 1
1 523 . 11 1 1 A 45 45 LEU N N 45 125.800 124.223 1.577 1
1 524 . 11 1 1 A 46 46 ASN H H 46 9.120 7.648 1.472 1
1 525 . 11 1 1 A 46 46 ASN HA H 46 4.630 4.784 -0.154 1
1 530 . 11 1 1 A 46 46 ASN CA C 46 56.000 53.625 2.375 1
1 531 . 11 1 1 A 46 46 ASN CB C 46 39.000 39.292 -0.292 1
1 532 . 11 1 1 A 46 46 ASN N N 46 119.000 119.546 -0.546 1
1 534 . 11 1 1 A 47 47 ASN H H 47 8.460 8.654 -0.194 1
1 535 . 11 1 1 A 47 47 ASN HA H 47 5.260 4.849 0.411 1
1 540 . 11 1 1 A 47 47 ASN CA C 47 51.200 52.709 -1.509 1
1 541 . 11 1 1 A 47 47 ASN CB C 47 37.700 38.110 -0.410 1
1 542 . 11 1 1 A 47 47 ASN N N 47 118.500 122.107 -3.607 1
1 544 . 11 1 1 A 48 48 LEU H H 48 8.890 8.637 0.253 1
1 545 . 11 1 1 A 48 48 LEU HA H 48 4.070 4.231 -0.161 1
1 555 . 11 1 1 A 48 48 LEU CA C 48 56.800 56.776 0.024 1
1 556 . 11 1 1 A 48 48 LEU CB C 48 41.600 42.593 -0.993 1
1 560 . 11 1 1 A 48 48 LEU N N 48 127.100 128.317 -1.217 1
1 561 . 11 1 1 A 49 49 ASP H H 49 7.820 7.581 0.239 1
1 562 . 11 1 1 A 49 49 ASP HA H 49 4.430 4.966 -0.536 1
1 565 . 11 1 1 A 49 49 ASP CA C 49 54.500 53.104 1.396 1
1 566 . 11 1 1 A 49 49 ASP CB C 49 40.100 43.356 -3.256 1
1 567 . 11 1 1 A 49 49 ASP N N 49 115.700 116.542 -0.842 1
1 568 . 11 1 1 A 50 50 GLN H H 50 7.770 8.703 -0.933 1
1 569 . 11 1 1 A 50 50 GLN HA H 50 3.880 4.146 -0.266 1
1 576 . 11 1 1 A 50 50 GLN CA C 50 56.000 58.922 -2.922 1
1 577 . 11 1 1 A 50 50 GLN CB C 50 27.400 28.376 -0.976 1
1 579 . 11 1 1 A 50 50 GLN N N 50 115.300 123.369 -8.069 1
1 581 . 11 1 1 A 51 51 SER H H 51 6.370 7.985 -1.615 1
1 582 . 11 1 1 A 51 51 SER HA H 51 5.210 4.528 0.682 1
1 585 . 11 1 1 A 51 51 SER CA C 51 53.700 59.463 -5.763 1
1 586 . 11 1 1 A 51 51 SER CB C 51 66.100 62.103 3.997 1
1 587 . 11 1 1 A 51 51 SER N N 51 109.000 111.224 -2.224 1
1 588 . 11 1 1 A 52 52 PRO HA H 52 4.830 4.326 0.504 1
1 595 . 11 1 1 A 52 52 PRO CA C 52 64.000 65.089 -1.089 1
1 596 . 11 1 1 A 52 52 PRO CB C 52 33.300 31.601 1.699 1
1 599 . 11 1 1 A 53 53 GLU H H 53 8.320 8.130 0.190 1
1 600 . 11 1 1 A 53 53 GLU HA H 53 4.510 4.520 -0.010 1
1 605 . 11 1 1 A 53 53 GLU CA C 53 55.700 56.195 -0.495 1
1 606 . 11 1 1 A 53 53 GLU CB C 53 32.400 31.458 0.942 1
1 608 . 11 1 1 A 53 53 GLU N N 53 113.900 115.879 -1.979 1
1 609 . 11 1 1 A 54 54 HIS H H 54 7.070 7.646 -0.576 1
1 610 . 11 1 1 A 54 54 HIS HA H 54 4.750 5.038 -0.288 1
1 614 . 11 1 1 A 54 54 HIS CA C 54 54.100 54.671 -0.571 1
1 615 . 11 1 1 A 54 54 HIS CB C 54 31.100 33.712 -2.612 1
1 617 . 11 1 1 A 54 54 HIS N N 54 112.500 118.429 -5.929 1
1 618 . 11 1 1 A 55 55 PHE H H 55 7.900 8.691 -0.791 1
1 619 . 11 1 1 A 55 55 PHE HA H 55 5.580 5.543 0.037 1
1 627 . 11 1 1 A 55 55 PHE CA C 55 55.400 55.602 -0.202 1
1 628 . 11 1 1 A 55 55 PHE CB C 55 41.200 43.010 -1.810 1
1 632 . 11 1 1 A 55 55 PHE N N 55 114.900 117.067 -2.167 1
1 633 . 11 1 1 A 56 56 SER H H 56 7.690 8.880 -1.190 1
1 634 . 11 1 1 A 56 56 SER HA H 56 4.300 5.062 -0.762 1
1 637 . 11 1 1 A 56 56 SER CA C 56 57.800 57.548 0.252 1
1 638 . 11 1 1 A 56 56 SER CB C 56 65.300 65.722 -0.422 1
1 639 . 11 1 1 A 56 56 SER N N 56 112.900 115.375 -2.475 1
1 640 . 11 1 1 A 57 57 MET H H 57 8.750 9.040 -0.290 1
1 641 . 11 1 1 A 57 57 MET HA H 57 4.860 5.237 -0.377 1
1 649 . 11 1 1 A 57 57 MET CA C 57 54.400 54.180 0.220 1
1 650 . 11 1 1 A 57 57 MET CB C 57 36.000 36.945 -0.945 1
1 653 . 11 1 1 A 57 57 MET N N 57 120.000 123.859 -3.859 1
1 654 . 11 1 1 A 58 58 ASP H H 58 10.180 8.713 1.467 1
1 655 . 11 1 1 A 58 58 ASP HA H 58 4.740 4.953 -0.213 1
1 658 . 11 1 1 A 58 58 ASP CA C 58 51.700 51.475 0.225 1
1 659 . 11 1 1 A 58 58 ASP CB C 58 42.700 42.518 0.182 1
1 660 . 11 1 1 A 58 58 ASP N N 58 126.600 121.917 4.683 1
1 661 . 11 1 1 A 59 59 PRO HA H 59 4.400 4.323 0.077 1
1 668 . 11 1 1 A 59 59 PRO CA C 59 65.300 65.674 -0.374 1
1 669 . 11 1 1 A 59 59 PRO CB C 59 32.300 31.835 0.465 1
1 672 . 11 1 1 A 60 60 ARG H H 60 8.520 8.649 -0.129 1
1 673 . 11 1 1 A 60 60 ARG HA H 60 4.120 4.035 0.085 1
1 680 . 11 1 1 A 60 60 ARG CA C 60 59.200 59.445 -0.245 1
1 681 . 11 1 1 A 60 60 ARG CB C 60 29.500 29.921 -0.421 1
1 684 . 11 1 1 A 60 60 ARG N N 60 118.700 118.808 -0.108 1
1 685 . 11 1 1 A 61 61 GLU H H 61 7.730 8.319 -0.589 1
1 686 . 11 1 1 A 61 61 GLU HA H 61 4.190 4.119 0.071 1
1 691 . 11 1 1 A 61 61 GLU CA C 61 59.000 59.138 -0.138 1
1 692 . 11 1 1 A 61 61 GLU CB C 61 30.200 29.477 0.723 1
1 694 . 11 1 1 A 61 61 GLU N N 61 119.800 119.561 0.239 1
1 695 . 11 1 1 A 62 62 GLN H H 62 8.220 7.923 0.297 1
1 696 . 11 1 1 A 62 62 GLN HA H 62 3.830 4.093 -0.263 1
1 703 . 11 1 1 A 62 62 GLN CA C 62 59.900 58.603 1.297 1
1 704 . 11 1 1 A 62 62 GLN CB C 62 29.000 28.656 0.344 1
1 706 . 11 1 1 A 62 62 GLN N N 62 118.700 118.228 0.472 1
1 708 . 11 1 1 A 63 63 LEU H H 63 7.950 8.154 -0.204 1
1 709 . 11 1 1 A 63 63 LEU HA H 63 4.110 4.064 0.046 1
1 719 . 11 1 1 A 63 63 LEU CA C 63 58.000 57.944 0.056 1
1 720 . 11 1 1 A 63 63 LEU CB C 63 41.400 41.597 -0.197 1
1 724 . 11 1 1 A 63 63 LEU N N 63 119.200 122.142 -2.942 1
1 725 . 11 1 1 A 64 64 THR H H 64 7.910 7.593 0.317 1
1 726 . 11 1 1 A 64 64 THR HA H 64 3.790 3.822 -0.032 1
1 731 . 11 1 1 A 64 64 THR CA C 64 66.800 66.080 0.720 1
1 732 . 11 1 1 A 64 64 THR CB C 64 68.700 68.657 0.043 1
1 734 . 11 1 1 A 64 64 THR N N 64 116.000 114.930 1.070 1
1 735 . 11 1 1 A 65 65 ALA H H 65 7.520 7.589 -0.069 1
1 736 . 11 1 1 A 65 65 ALA HA H 65 3.970 3.816 0.154 1
1 740 . 11 1 1 A 65 65 ALA CA C 65 55.100 54.987 0.113 1
1 741 . 11 1 1 A 65 65 ALA CB C 65 17.900 18.294 -0.394 1
1 742 . 11 1 1 A 65 65 ALA N N 65 125.200 123.697 1.503 1
1 743 . 11 1 1 A 66 66 VAL H H 66 8.420 8.128 0.292 1
1 744 . 11 1 1 A 66 66 VAL HA H 66 3.840 3.450 0.390 1
1 752 . 11 1 1 A 66 66 VAL CA C 66 66.200 67.044 -0.844 1
1 753 . 11 1 1 A 66 66 VAL CB C 66 31.700 31.405 0.295 1
1 756 . 11 1 1 A 66 66 VAL N N 66 119.300 118.891 0.409 1
1 757 . 11 1 1 A 67 67 LYS H H 67 8.570 7.997 0.573 1
1 758 . 11 1 1 A 67 67 LYS HA H 67 3.960 3.945 0.015 1
1 767 . 11 1 1 A 67 67 LYS CA C 67 60.300 59.759 0.541 1
1 768 . 11 1 1 A 67 67 LYS CB C 67 32.200 32.261 -0.061 1
1 772 . 11 1 1 A 67 67 LYS N N 67 120.600 119.896 0.704 1
1 773 . 11 1 1 A 68 68 ASP H H 68 7.660 7.713 -0.053 1
1 774 . 11 1 1 A 68 68 ASP HA H 68 4.290 4.371 -0.081 1
1 777 . 11 1 1 A 68 68 ASP CA C 68 58.300 57.449 0.851 1
1 778 . 11 1 1 A 68 68 ASP CB C 68 42.700 40.753 1.947 1
1 779 . 11 1 1 A 68 68 ASP N N 68 121.500 119.559 1.941 1
1 780 . 11 1 1 A 69 69 MET H H 69 8.620 8.164 0.456 1
1 781 . 11 1 1 A 69 69 MET HA H 69 4.250 4.475 -0.225 1
1 789 . 11 1 1 A 69 69 MET CA C 69 60.300 58.670 1.630 1
1 790 . 11 1 1 A 69 69 MET CB C 69 32.700 32.192 0.508 1
1 793 . 11 1 1 A 69 69 MET N N 69 120.100 119.467 0.633 1
1 794 . 11 1 1 A 70 70 ARG H H 70 8.500 8.682 -0.182 1
1 795 . 11 1 1 A 70 70 ARG HA H 70 4.110 4.070 0.040 1
1 802 . 11 1 1 A 70 70 ARG CA C 70 59.200 58.885 0.315 1
1 803 . 11 1 1 A 70 70 ARG CB C 70 29.600 29.691 -0.091 1
1 806 . 11 1 1 A 70 70 ARG N N 70 119.000 120.061 -1.061 1
1 807 . 11 1 1 A 71 71 LYS H H 71 8.020 7.726 0.294 1
1 808 . 11 1 1 A 71 71 LYS HA H 71 3.970 4.008 -0.038 1
1 817 . 11 1 1 A 71 71 LYS CA C 71 58.800 59.192 -0.392 1
1 818 . 11 1 1 A 71 71 LYS CB C 71 32.000 32.175 -0.175 1
1 822 . 11 1 1 A 71 71 LYS N N 71 121.100 119.521 1.579 1
1 823 . 11 1 1 A 72 72 ASN H H 72 6.960 7.578 -0.618 1
1 824 . 11 1 1 A 72 72 ASN HA H 72 4.090 4.497 -0.407 1
1 829 . 11 1 1 A 72 72 ASN CA C 72 53.300 52.779 0.521 1
1 830 . 11 1 1 A 72 72 ASN CB C 72 39.000 38.644 0.356 1
1 831 . 11 1 1 A 72 72 ASN N N 72 114.600 113.809 0.791 1
1 833 . 11 1 1 A 73 73 GLY H H 73 7.560 7.651 -0.091 1
1 834 . 11 1 1 A 73 73 GLY HA2 H 73 3.890 3.820 0.070 1
1 835 . 11 1 1 A 73 73 GLY HA3 H 73 3.760 3.907 -0.147 1
1 836 . 11 1 1 A 73 73 GLY CA C 73 45.900 45.311 0.589 1
1 837 . 11 1 1 A 73 73 GLY N N 73 106.700 105.402 1.298 1
1 838 . 11 1 1 A 74 74 TRP H H 74 8.240 7.906 0.334 1
1 839 . 11 1 1 A 74 74 TRP HA H 74 5.260 4.756 0.504 1
1 848 . 11 1 1 A 74 74 TRP CA C 74 53.100 57.360 -4.260 1
1 849 . 11 1 1 A 74 74 TRP CB C 74 31.400 31.430 -0.030 1
1 855 . 11 1 1 A 74 74 TRP N N 74 120.700 120.366 0.334 1
1 857 . 11 1 1 A 75 75 VAL H H 75 9.410 9.119 0.291 1
1 858 . 11 1 1 A 75 75 VAL HA H 75 4.800 4.904 -0.104 1
1 866 . 11 1 1 A 75 75 VAL CA C 75 58.500 58.997 -0.497 1
1 867 . 11 1 1 A 75 75 VAL CB C 75 35.500 35.369 0.131 1
1 870 . 11 1 1 A 75 75 VAL N N 75 112.100 115.361 -3.261 1
1 871 . 11 1 1 A 76 76 MET H H 76 8.800 8.761 0.039 1
1 872 . 11 1 1 A 76 76 MET HA H 76 4.650 4.670 -0.020 1
1 880 . 11 1 1 A 76 76 MET CA C 76 56.900 55.819 1.081 1
1 881 . 11 1 1 A 76 76 MET CB C 76 32.600 33.205 -0.605 1
1 884 . 11 1 1 A 76 76 MET N N 76 122.400 122.835 -0.435 1
1 885 . 11 1 1 A 77 77 LEU H H 77 8.780 9.336 -0.556 1
1 886 . 11 1 1 A 77 77 LEU HA H 77 4.480 4.519 -0.039 1
1 896 . 11 1 1 A 77 77 LEU CA C 77 54.100 55.549 -1.449 1
1 897 . 11 1 1 A 77 77 LEU CB C 77 44.700 43.055 1.645 1
1 901 . 11 1 1 A 77 77 LEU N N 77 125.600 127.725 -2.125 1
1 902 . 11 1 1 A 78 78 GLY H H 78 7.590 7.478 0.112 1
1 903 . 11 1 1 A 78 78 GLY HA2 H 78 5.150 3.965 1.185 1
1 904 . 11 1 1 A 78 78 GLY HA3 H 78 3.660 3.976 -0.316 1
1 905 . 11 1 1 A 78 78 GLY CA C 78 45.700 45.449 0.251 1
1 906 . 11 1 1 A 78 78 GLY N N 78 102.900 104.959 -2.059 1
1 907 . 11 1 1 A 79 79 ASN H H 79 8.520 8.611 -0.091 1
1 908 . 11 1 1 A 79 79 ASN HA H 79 5.230 5.499 -0.269 1
1 913 . 11 1 1 A 79 79 ASN CA C 79 51.100 51.542 -0.442 1
1 914 . 11 1 1 A 79 79 ASN CB C 79 41.500 41.706 -0.206 1
1 915 . 11 1 1 A 79 79 ASN N N 79 115.600 117.769 -2.169 1
1 917 . 11 1 1 A 80 80 PHE H H 80 8.410 8.444 -0.034 1
1 918 . 11 1 1 A 80 80 PHE HA H 80 6.120 5.805 0.315 1
1 926 . 11 1 1 A 80 80 PHE CA C 80 54.500 55.982 -1.482 1
1 927 . 11 1 1 A 80 80 PHE CB C 80 44.800 43.119 1.681 1
1 931 . 11 1 1 A 80 80 PHE N N 80 113.100 116.143 -3.043 1
1 932 . 11 1 1 A 81 81 HIS H H 81 8.310 9.253 -0.943 1
1 933 . 11 1 1 A 81 81 HIS HA H 81 5.300 5.815 -0.515 1
1 938 . 11 1 1 A 81 81 HIS CA C 81 54.400 54.011 0.389 1
1 939 . 11 1 1 A 81 81 HIS CB C 81 30.300 32.824 -2.524 1
1 942 . 11 1 1 A 81 81 HIS N N 81 111.600 116.314 -4.714 1
1 943 . 11 1 1 A 82 82 SER H H 82 8.390 9.062 -0.672 1
1 944 . 11 1 1 A 82 82 SER HA H 82 5.510 5.322 0.188 1
1 947 . 11 1 1 A 82 82 SER CA C 82 54.800 56.792 -1.992 1
1 948 . 11 1 1 A 82 82 SER CB C 82 66.700 66.190 0.510 1
1 949 . 11 1 1 A 82 82 SER N N 82 112.700 119.535 -6.835 1
1 950 . 11 1 1 A 83 83 HIS H H 83 8.890 8.964 -0.074 1
1 951 . 11 1 1 A 83 83 HIS HA H 83 5.480 4.962 0.518 1
1 956 . 11 1 1 A 83 83 HIS CA C 83 49.900 54.015 -4.115 1
1 957 . 11 1 1 A 83 83 HIS CB C 83 32.000 31.691 0.309 1
1 960 . 11 1 1 A 83 83 HIS N N 83 115.200 121.191 -5.991 1
1 961 . 11 1 1 A 84 84 PRO HA H 84 3.940 4.474 -0.534 1
1 968 . 11 1 1 A 84 84 PRO CA C 84 65.600 64.816 0.784 1
1 969 . 11 1 1 A 84 84 PRO CB C 84 33.300 32.147 1.153 1
1 972 . 11 1 1 A 85 85 ALA H H 85 8.410 8.299 0.111 1
1 973 . 11 1 1 A 85 85 ALA HA H 85 4.670 4.549 0.121 1
1 977 . 11 1 1 A 85 85 ALA CA C 85 51.300 51.480 -0.180 1
1 978 . 11 1 1 A 85 85 ALA CB C 85 21.200 19.773 1.427 1
1 979 . 11 1 1 A 85 85 ALA N N 85 112.800 119.149 -6.349 1
1 980 . 11 1 1 A 86 86 THR H H 86 7.070 7.534 -0.464 1
1 981 . 11 1 1 A 86 86 THR HA H 86 4.960 5.039 -0.079 1
1 986 . 11 1 1 A 86 86 THR CA C 86 58.600 58.585 0.015 1
1 987 . 11 1 1 A 86 86 THR CB C 86 69.500 70.461 -0.961 1
1 989 . 11 1 1 A 86 86 THR N N 86 109.200 108.657 0.543 1
1 990 . 11 1 1 A 87 87 PRO HA H 87 4.630 4.653 -0.023 1
1 997 . 11 1 1 A 87 87 PRO CA C 87 62.700 62.654 0.046 1
1 998 . 11 1 1 A 87 87 PRO CB C 87 33.500 32.994 0.506 1
1 1001 . 11 1 1 A 88 88 ALA H H 88 9.760 8.465 1.295 1
1 1002 . 11 1 1 A 88 88 ALA HA H 88 3.960 4.541 -0.581 1
1 1006 . 11 1 1 A 88 88 ALA CA C 88 51.700 51.253 0.447 1
1 1007 . 11 1 1 A 88 88 ALA CB C 88 16.300 17.805 -1.505 1
1 1008 . 11 1 1 A 88 88 ALA N N 88 127.600 122.674 4.926 1
1 1009 . 11 1 1 A 89 89 ARG H H 89 7.570 8.222 -0.652 1
1 1010 . 11 1 1 A 89 89 ARG HA H 89 4.280 4.123 0.157 1
1 1017 . 11 1 1 A 89 89 ARG CA C 89 53.200 52.520 0.680 1
1 1018 . 11 1 1 A 89 89 ARG CB C 89 31.300 33.182 -1.882 1
1 1021 . 11 1 1 A 89 89 ARG N N 89 118.300 119.958 -1.658 1
1 1022 . 11 1 1 A 90 90 PRO HA H 90 4.510 4.726 -0.216 1
1 1029 . 11 1 1 A 90 90 PRO CA C 90 62.900 62.524 0.376 1
1 1030 . 11 1 1 A 90 90 PRO CB C 90 31.300 32.381 -1.081 1
1 1033 . 11 1 1 A 91 91 SER H H 91 9.630 8.390 1.240 1
1 1034 . 11 1 1 A 91 91 SER HA H 91 4.600 4.709 -0.109 1
1 1037 . 11 1 1 A 91 91 SER CA C 91 56.500 56.396 0.104 1
1 1038 . 11 1 1 A 91 91 SER CB C 91 66.000 65.418 0.582 1
1 1039 . 11 1 1 A 91 91 SER N N 91 122.500 114.604 7.896 1
1 1040 . 11 1 1 A 92 92 ALA H H 92 8.910 8.963 -0.053 1
1 1041 . 11 1 1 A 92 92 ALA HA H 92 3.980 3.982 -0.002 1
1 1045 . 11 1 1 A 92 92 ALA CA C 92 55.900 55.432 0.468 1
1 1046 . 11 1 1 A 92 92 ALA CB C 92 17.800 18.055 -0.255 1
1 1047 . 11 1 1 A 92 92 ALA N N 92 123.000 123.255 -0.255 1
1 1048 . 11 1 1 A 93 93 GLU H H 93 8.370 8.120 0.250 1
1 1049 . 11 1 1 A 93 93 GLU HA H 93 4.070 3.935 0.135 1
1 1054 . 11 1 1 A 93 93 GLU CA C 93 58.900 59.356 -0.456 1
1 1055 . 11 1 1 A 93 93 GLU CB C 93 28.800 29.474 -0.674 1
1 1057 . 11 1 1 A 93 93 GLU N N 93 118.800 117.839 0.961 1
1 1058 . 11 1 1 A 94 94 ASP H H 94 7.770 8.197 -0.427 1
1 1059 . 11 1 1 A 94 94 ASP HA H 94 4.260 3.971 0.289 1
1 1062 . 11 1 1 A 94 94 ASP CA C 94 57.100 57.017 0.083 1
1 1063 . 11 1 1 A 94 94 ASP CB C 94 40.200 40.940 -0.740 1
1 1064 . 11 1 1 A 94 94 ASP N N 94 119.200 119.730 -0.530 1
1 1065 . 11 1 1 A 95 95 LYS H H 95 7.830 7.990 -0.160 1
1 1066 . 11 1 1 A 95 95 LYS HA H 95 3.720 3.818 -0.098 1
1 1075 . 11 1 1 A 95 95 LYS CA C 95 59.500 59.075 0.425 1
1 1076 . 11 1 1 A 95 95 LYS CB C 95 31.900 31.987 -0.087 1
1 1080 . 11 1 1 A 95 95 LYS N N 95 116.400 118.787 -2.387 1
1 1081 . 11 1 1 A 96 96 ARG H H 96 7.570 7.512 0.058 1
1 1082 . 11 1 1 A 96 96 ARG HA H 96 3.940 3.983 -0.043 1
1 1089 . 11 1 1 A 96 96 ARG CA C 96 58.500 58.135 0.365 1
1 1090 . 11 1 1 A 96 96 ARG CB C 96 30.100 30.370 -0.270 1
1 1093 . 11 1 1 A 96 96 ARG N N 96 119.400 118.613 0.787 1
1 1094 . 11 1 1 A 97 97 LEU H H 97 7.270 7.473 -0.203 1
1 1095 . 11 1 1 A 97 97 LEU HA H 97 4.030 4.051 -0.021 1
1 1105 . 11 1 1 A 97 97 LEU CA C 97 54.400 55.501 -1.101 1
1 1106 . 11 1 1 A 97 97 LEU CB C 97 41.600 41.480 0.120 1
1 1110 . 11 1 1 A 97 97 LEU N N 97 116.100 116.964 -0.864 1
1 1111 . 11 1 1 A 98 98 ALA H H 98 6.950 6.801 0.149 1
1 1112 . 11 1 1 A 98 98 ALA HA H 98 4.230 4.302 -0.072 1
1 1116 . 11 1 1 A 98 98 ALA CA C 98 50.800 51.142 -0.342 1
1 1117 . 11 1 1 A 98 98 ALA CB C 98 16.700 18.473 -1.773 1
1 1118 . 11 1 1 A 98 98 ALA N N 98 124.800 122.572 2.228 1
1 1119 . 11 1 1 A 99 99 PHE H H 99 7.630 8.346 -0.716 1
1 1120 . 11 1 1 A 99 99 PHE HA H 99 4.490 4.696 -0.206 1
1 1128 . 11 1 1 A 99 99 PHE CA C 99 58.200 57.102 1.098 1
1 1129 . 11 1 1 A 99 99 PHE CB C 99 39.500 38.665 0.835 1
1 1133 . 11 1 1 A 99 99 PHE N N 99 120.400 123.292 -2.892 1
1 1134 . 11 1 1 A 100 100 ASP H H 100 7.320 7.770 -0.450 1
1 1135 . 11 1 1 A 100 100 ASP HA H 100 5.240 4.955 0.285 1
1 1138 . 11 1 1 A 100 100 ASP CA C 100 49.900 52.228 -2.328 1
1 1139 . 11 1 1 A 100 100 ASP CB C 100 42.200 41.529 0.671 1
1 1140 . 11 1 1 A 100 100 ASP N N 100 118.200 119.378 -1.178 1
1 1141 . 11 1 1 A 101 101 PRO HA H 101 5.040 4.647 0.393 1
1 1148 . 11 1 1 A 101 101 PRO CA C 101 64.200 64.245 -0.045 1
1 1149 . 11 1 1 A 101 101 PRO CB C 101 32.800 32.218 0.582 1
1 1152 . 11 1 1 A 102 102 SER H H 102 8.950 8.237 0.713 1
1 1153 . 11 1 1 A 102 102 SER HA H 102 4.530 4.735 -0.205 1
1 1156 . 11 1 1 A 102 102 SER CA C 102 59.300 57.659 1.641 1
1 1157 . 11 1 1 A 102 102 SER CB C 102 64.500 64.589 -0.089 1
1 1158 . 11 1 1 A 102 102 SER N N 102 117.700 112.667 5.033 1
1 1159 . 11 1 1 A 103 103 LEU H H 103 6.850 8.087 -1.237 1
1 1160 . 11 1 1 A 103 103 LEU HA H 103 4.200 4.262 -0.062 1
1 1170 . 11 1 1 A 103 103 LEU CA C 103 53.700 53.933 -0.233 1
1 1171 . 11 1 1 A 103 103 LEU CB C 103 41.800 43.287 -1.487 1
1 1175 . 11 1 1 A 103 103 LEU N N 103 121.100 123.970 -2.870 1
1 1176 . 11 1 1 A 104 104 SER H H 104 8.080 8.618 -0.538 1
1 1177 . 11 1 1 A 104 104 SER HA H 104 4.310 5.113 -0.803 1
1 1180 . 11 1 1 A 104 104 SER CA C 104 60.300 57.958 2.342 1
1 1181 . 11 1 1 A 104 104 SER CB C 104 63.300 64.548 -1.248 1
1 1182 . 11 1 1 A 104 104 SER N N 104 116.100 119.418 -3.318 1
1 1183 . 11 1 1 A 105 105 TYR H H 105 8.790 9.379 -0.589 1
1 1184 . 11 1 1 A 105 105 TYR HA H 105 4.750 5.270 -0.520 1
1 1191 . 11 1 1 A 105 105 TYR CA C 105 57.100 56.644 0.456 1
1 1192 . 11 1 1 A 105 105 TYR CB C 105 37.700 39.301 -1.601 1
1 1195 . 11 1 1 A 105 105 TYR N N 105 122.700 125.313 -2.613 1
1 1196 . 11 1 1 A 106 106 LEU H H 106 8.750 9.177 -0.427 1
1 1197 . 11 1 1 A 106 106 LEU HA H 106 5.290 4.972 0.318 1
1 1207 . 11 1 1 A 106 106 LEU CA C 106 56.000 54.595 1.405 1
1 1208 . 11 1 1 A 106 106 LEU CB C 106 43.400 42.637 0.763 1
1 1212 . 11 1 1 A 106 106 LEU N N 106 125.200 125.684 -0.484 1
1 1213 . 11 1 1 A 107 107 ILE H H 107 9.480 8.787 0.693 1
1 1214 . 11 1 1 A 107 107 ILE HA H 107 4.630 4.915 -0.285 1
1 1224 . 11 1 1 A 107 107 ILE CA C 107 59.700 60.050 -0.350 1
1 1225 . 11 1 1 A 107 107 ILE CB C 107 40.500 40.570 -0.070 1
1 1229 . 11 1 1 A 107 107 ILE N N 107 123.800 123.404 0.396 1
1 1230 . 11 1 1 A 108 108 ILE H H 108 7.820 9.242 -1.422 1
1 1231 . 11 1 1 A 108 108 ILE HA H 108 4.950 5.026 -0.076 1
1 1241 . 11 1 1 A 108 108 ILE CA C 108 58.600 59.997 -1.397 1
1 1242 . 11 1 1 A 108 108 ILE CB C 108 41.700 39.742 1.958 1
1 1246 . 11 1 1 A 108 108 ILE N N 108 125.200 129.935 -4.735 1
1 1247 . 11 1 1 A 109 109 SER H H 109 9.780 8.771 1.009 1
1 1248 . 11 1 1 A 109 109 SER HA H 109 5.430 4.886 0.544 1
1 1251 . 11 1 1 A 109 109 SER CA C 109 56.400 56.409 -0.009 1
1 1252 . 11 1 1 A 109 109 SER CB C 109 64.900 64.048 0.852 1
1 1253 . 11 1 1 A 109 109 SER N N 109 120.300 121.670 -1.370 1
1 1254 . 11 1 1 A 110 110 LEU H H 110 8.110 9.146 -1.036 1
1 1255 . 11 1 1 A 110 110 LEU HA H 110 4.630 4.492 0.138 1
1 1265 . 11 1 1 A 110 110 LEU CA C 110 53.300 54.801 -1.501 1
1 1266 . 11 1 1 A 110 110 LEU CB C 110 41.100 41.583 -0.483 1
1 1270 . 11 1 1 A 110 110 LEU N N 110 130.700 128.877 1.823 1
1 1271 . 11 1 1 A 111 111 ALA H H 111 7.390 8.026 -0.636 1
1 1272 . 11 1 1 A 111 111 ALA HA H 111 3.920 4.312 -0.392 1
1 1276 . 11 1 1 A 111 111 ALA CA C 111 55.200 54.443 0.757 1
1 1277 . 11 1 1 A 111 111 ALA CB C 111 17.900 18.659 -0.759 1
1 1278 . 11 1 1 A 111 111 ALA N N 111 121.000 122.777 -1.777 1
1 1279 . 11 1 1 A 112 112 GLU H H 112 8.290 7.996 0.294 1
1 1280 . 11 1 1 A 112 112 GLU HA H 112 4.830 4.679 0.151 1
1 1285 . 11 1 1 A 112 112 GLU CA C 112 52.600 53.697 -1.097 1
1 1286 . 11 1 1 A 112 112 GLU CB C 112 29.300 29.725 -0.425 1
1 1288 . 11 1 1 A 112 112 GLU N N 112 116.400 114.938 1.462 1
1 1289 . 11 1 1 A 113 113 PRO HA H 113 3.940 4.457 -0.517 1
1 1296 . 11 1 1 A 113 113 PRO CA C 113 65.600 64.202 1.398 1
1 1297 . 11 1 1 A 113 113 PRO CB C 113 31.900 31.901 -0.001 1
1 1300 . 11 1 1 A 114 114 GLN H H 114 8.610 8.663 -0.053 1
1 1301 . 11 1 1 A 114 114 GLN HA H 114 4.250 4.128 0.122 1
1 1308 . 11 1 1 A 114 114 GLN CA C 114 56.100 57.867 -1.767 1
1 1309 . 11 1 1 A 114 114 GLN CB C 114 28.300 29.199 -0.899 1
1 1311 . 11 1 1 A 114 114 GLN N N 114 113.500 117.459 -3.959 1
1 1313 . 11 1 1 A 115 115 LYS H H 115 8.040 7.369 0.671 1
1 1314 . 11 1 1 A 115 115 LYS HA H 115 4.620 4.590 0.030 1
1 1323 . 11 1 1 A 115 115 LYS CA C 115 53.500 54.153 -0.653 1
1 1324 . 11 1 1 A 115 115 LYS CB C 115 33.400 33.068 0.332 1
1 1328 . 11 1 1 A 115 115 LYS N N 115 121.000 119.465 1.535 1
1 1329 . 11 1 1 A 116 116 PRO HA H 116 4.560 4.480 0.080 1
1 1336 . 11 1 1 A 116 116 PRO CA C 116 62.900 63.200 -0.300 1
1 1337 . 11 1 1 A 116 116 PRO CB C 116 32.500 31.947 0.553 1
1 1340 . 11 1 1 A 117 117 VAL H H 117 7.850 8.351 -0.501 1
1 1341 . 11 1 1 A 117 117 VAL HA H 117 4.360 4.150 0.210 1
1 1349 . 11 1 1 A 117 117 VAL CA C 117 61.200 61.963 -0.763 1
1 1350 . 11 1 1 A 117 117 VAL CB C 117 35.900 30.916 4.984 1
1 1353 . 11 1 1 A 117 117 VAL N N 117 120.600 122.804 -2.204 1
1 1354 . 11 1 1 A 118 118 CYS H H 118 8.820 9.023 -0.203 1
1 1355 . 11 1 1 A 118 118 CYS HA H 118 5.340 5.452 -0.112 1
1 1358 . 11 1 1 A 118 118 CYS CA C 118 56.400 56.835 -0.435 1
1 1359 . 11 1 1 A 118 118 CYS CB C 118 28.700 29.531 -0.831 1
1 1360 . 11 1 1 A 118 118 CYS N N 118 127.100 126.145 0.955 1
1 1361 . 11 1 1 A 119 119 LYS H H 119 8.530 8.388 0.142 1
1 1362 . 11 1 1 A 119 119 LYS HA H 119 4.590 4.818 -0.228 1
1 1371 . 11 1 1 A 119 119 LYS CA C 119 54.900 54.553 0.347 1
1 1372 . 11 1 1 A 119 119 LYS CB C 119 39.600 36.751 2.849 1
1 1376 . 11 1 1 A 119 119 LYS N N 119 126.400 124.094 2.306 1
1 1377 . 11 1 1 A 120 120 SER H H 120 8.220 8.627 -0.407 1
1 1378 . 11 1 1 A 120 120 SER HA H 120 4.870 5.087 -0.217 1
1 1381 . 11 1 1 A 120 120 SER CA C 120 56.300 56.731 -0.431 1
1 1382 . 11 1 1 A 120 120 SER CB C 120 63.300 64.600 -1.300 1
1 1383 . 11 1 1 A 120 120 SER N N 120 114.500 116.980 -2.480 1
1 1384 . 11 1 1 A 121 121 PHE H H 121 8.450 9.752 -1.302 1
1 1385 . 11 1 1 A 121 121 PHE HA H 121 5.160 5.193 -0.033 1
1 1393 . 11 1 1 A 121 121 PHE CA C 121 57.200 56.272 0.928 1
1 1394 . 11 1 1 A 121 121 PHE CB C 121 42.700 41.554 1.146 1
1 1398 . 11 1 1 A 121 121 PHE N N 121 124.400 126.524 -2.124 1
1 1399 . 11 1 1 A 122 122 LEU H H 122 9.070 9.813 -0.743 1
1 1400 . 11 1 1 A 122 122 LEU HA H 122 5.270 5.019 0.251 1
1 1410 . 11 1 1 A 122 122 LEU CA C 122 53.300 53.842 -0.542 1
1 1411 . 11 1 1 A 122 122 LEU CB C 122 42.200 42.332 -0.132 1
1 1415 . 11 1 1 A 122 122 LEU N N 122 120.900 123.971 -3.071 1
1 1416 . 11 1 1 A 123 123 ILE H H 123 9.730 8.755 0.975 1
1 1417 . 11 1 1 A 123 123 ILE HA H 123 4.290 4.513 -0.223 1
1 1427 . 11 1 1 A 123 123 ILE CA C 123 61.400 60.943 0.457 1
1 1428 . 11 1 1 A 123 123 ILE CB C 123 38.000 37.682 0.318 1
1 1432 . 11 1 1 A 123 123 ILE N N 123 125.900 125.895 0.005 1
1 1433 . 11 1 1 A 124 124 LYS H H 124 8.080 9.096 -1.016 1
1 1434 . 11 1 1 A 124 124 LYS HA H 124 4.720 4.705 0.015 1
1 1443 . 11 1 1 A 124 124 LYS CA C 124 54.100 54.418 -0.318 1
1 1444 . 11 1 1 A 124 124 LYS CB C 124 34.700 35.037 -0.337 1
1 1448 . 11 1 1 A 124 124 LYS N N 124 124.600 127.300 -2.700 1
1 1449 . 11 1 1 A 125 125 LYS H H 125 8.830 8.663 0.167 1
1 1450 . 11 1 1 A 125 125 LYS HA H 125 4.000 3.933 0.067 1
1 1459 . 11 1 1 A 125 125 LYS CA C 125 59.000 59.936 -0.936 1
1 1460 . 11 1 1 A 125 125 LYS CB C 125 31.700 32.254 -0.554 1
1 1464 . 11 1 1 A 125 125 LYS N N 125 120.900 123.511 -2.611 1
1 1465 . 11 1 1 A 126 126 ASP H H 126 8.160 7.860 0.300 1
1 1466 . 11 1 1 A 126 126 ASP HA H 126 4.650 4.407 0.243 1
1 1469 . 11 1 1 A 126 126 ASP CA C 126 53.100 56.355 -3.255 1
1 1470 . 11 1 1 A 126 126 ASP CB C 126 40.300 41.754 -1.454 1
1 1471 . 11 1 1 A 126 126 ASP N N 126 113.200 118.939 -5.739 1
1 1472 . 11 1 1 A 127 127 GLY H H 127 7.370 7.359 0.011 1
1 1473 . 11 1 1 A 127 127 GLY HA2 H 127 4.300 4.069 0.231 1
1 1474 . 11 1 1 A 127 127 GLY HA3 H 127 3.900 4.084 -0.184 1
1 1475 . 11 1 1 A 127 127 GLY CA C 127 45.200 45.911 -0.711 1
1 1476 . 11 1 1 A 127 127 GLY N N 127 107.600 103.480 4.120 1
1 1477 . 11 1 1 A 128 128 VAL H H 128 8.130 8.443 -0.313 1
1 1478 . 11 1 1 A 128 128 VAL HA H 128 4.900 5.182 -0.282 1
1 1486 . 11 1 1 A 128 128 VAL CA C 128 60.900 60.084 0.816 1
1 1487 . 11 1 1 A 128 128 VAL CB C 128 34.000 34.160 -0.160 1
1 1490 . 11 1 1 A 128 128 VAL N N 128 118.900 120.977 -2.077 1
1 1491 . 11 1 1 A 129 129 ASP H H 129 9.250 9.279 -0.029 1
1 1492 . 11 1 1 A 129 129 ASP HA H 129 5.220 5.289 -0.069 1
1 1495 . 11 1 1 A 129 129 ASP CA C 129 52.300 52.568 -0.268 1
1 1496 . 11 1 1 A 129 129 ASP CB C 129 43.600 44.476 -0.876 1
1 1497 . 11 1 1 A 129 129 ASP N N 129 126.500 129.774 -3.274 1
1 1498 . 11 1 1 A 130 130 GLU H H 130 8.900 8.807 0.093 1
1 1499 . 11 1 1 A 130 130 GLU HA H 130 4.420 4.641 -0.221 1
1 1504 . 11 1 1 A 130 130 GLU CA C 130 56.400 55.824 0.576 1
1 1505 . 11 1 1 A 130 130 GLU CB C 130 29.800 30.347 -0.547 1
1 1507 . 11 1 1 A 130 130 GLU N N 130 124.000 125.308 -1.308 1
1 1508 . 11 1 1 A 131 131 GLU H H 131 8.860 9.103 -0.243 1
1 1509 . 11 1 1 A 131 131 GLU HA H 131 4.430 4.376 0.054 1
1 1514 . 11 1 1 A 131 131 GLU CA C 131 53.500 55.850 -2.350 1
1 1515 . 11 1 1 A 131 131 GLU CB C 131 32.500 30.733 1.767 1
1 1517 . 11 1 1 A 131 131 GLU N N 131 129.200 125.116 4.084 1
1 1518 . 11 1 1 A 132 132 GLU H H 132 8.610 8.619 -0.009 1
1 1519 . 11 1 1 A 132 132 GLU HA H 132 4.050 4.547 -0.497 1
1 1524 . 11 1 1 A 132 132 GLU CA C 132 57.100 56.613 0.487 1
1 1525 . 11 1 1 A 132 132 GLU CB C 132 30.100 30.551 -0.451 1
1 1527 . 11 1 1 A 132 132 GLU N N 132 126.400 126.000 0.400 1
1 1528 . 11 1 1 A 133 133 ILE H H 133 8.200 8.625 -0.425 1
1 1529 . 11 1 1 A 133 133 ILE HA H 133 4.740 4.369 0.371 1
1 1539 . 11 1 1 A 133 133 ILE CA C 133 60.000 59.705 0.295 1
1 1540 . 11 1 1 A 133 133 ILE CB C 133 39.300 37.518 1.782 1
1 1544 . 11 1 1 A 133 133 ILE N N 133 124.500 125.764 -1.264 1
1 1545 . 11 1 1 A 134 134 ILE H H 134 9.000 9.567 -0.567 1
1 1546 . 11 1 1 A 134 134 ILE HA H 134 4.190 4.842 -0.652 1
1 1556 . 11 1 1 A 134 134 ILE CA C 134 59.000 60.048 -1.048 1
1 1557 . 11 1 1 A 134 134 ILE CB C 134 38.300 38.842 -0.542 1
1 1561 . 11 1 1 A 134 134 ILE N N 134 130.900 129.008 1.892 1
1 1562 . 11 1 1 A 135 135 LEU H H 135 8.360 9.099 -0.739 1
1 1563 . 11 1 1 A 135 135 LEU HA H 135 5.190 4.949 0.241 1
1 1573 . 11 1 1 A 135 135 LEU CA C 135 52.700 53.953 -1.253 1
1 1574 . 11 1 1 A 135 135 LEU CB C 135 42.800 42.078 0.722 1
1 1578 . 11 1 1 A 135 135 LEU N N 135 127.100 128.818 -1.718 1
1 1579 . 11 1 1 A 136 136 LYS H H 136 8.790 9.336 -0.546 1
1 1580 . 11 1 1 A 136 136 LYS HA H 136 4.330 4.336 -0.006 1
1 1589 . 11 1 1 A 136 136 LYS CA C 136 55.600 56.514 -0.914 1
1 1590 . 11 1 1 A 136 136 LYS CB C 136 34.600 33.766 0.834 1
1 1594 . 11 1 1 A 136 136 LYS N N 136 125.100 126.036 -0.936 1
1 1595 . 11 1 1 A 137 137 GLU H H 137 8.850 8.759 0.091 1
1 1596 . 11 1 1 A 137 137 GLU HA H 137 4.240 4.109 0.131 1
1 1601 . 11 1 1 A 137 137 GLU CA C 137 57.600 59.037 -1.437 1
1 1602 . 11 1 1 A 137 137 GLU CB C 137 29.900 30.482 -0.582 1
1 1604 . 11 1 1 A 137 137 GLU N N 137 121.100 123.520 -2.420 1
1 1605 . 11 1 1 A 138 138 GLU H H 138 8.150 7.741 0.409 1
1 1606 . 11 1 1 A 138 138 GLU HA H 138 4.370 4.601 -0.231 1
1 1611 . 11 1 1 A 138 138 GLU CA C 138 55.800 55.812 -0.012 1
1 1612 . 11 1 1 A 138 138 GLU CB C 138 30.700 32.295 -1.595 1
1 1614 . 11 1 1 A 138 138 GLU N N 138 119.300 116.895 2.405 1
1 1615 . 11 1 1 A 139 139 LEU H H 139 8.240 8.702 -0.462 1
1 1616 . 11 1 1 A 139 139 LEU HA H 139 4.180 4.360 -0.180 1
1 1626 . 11 1 1 A 139 139 LEU CA C 139 55.400 54.950 0.450 1
1 1627 . 11 1 1 A 139 139 LEU CB C 139 42.300 42.321 -0.021 1
1 1631 . 11 1 1 A 139 139 LEU N N 139 122.800 122.646 0.154 1
1 1632 . 11 1 1 A 140 140 GLU H H 140 8.250 8.394 -0.144 1
1 1633 . 11 1 1 A 140 140 GLU HA H 140 4.150 4.340 -0.190 1
1 1638 . 11 1 1 A 140 140 GLU CA C 140 56.400 56.578 -0.178 1
1 1639 . 11 1 1 A 140 140 GLU CB C 140 29.900 30.275 -0.375 1
1 1641 . 11 1 1 A 140 140 GLU N N 140 120.700 120.390 0.310 1
1 1642 . 11 1 1 A 141 141 HIS H H 141 8.400 8.660 -0.260 1
1 13 . 12 1 1 A 2 2 ILE H H 2 8.780 8.546 0.234 1
1 14 . 12 1 1 A 2 2 ILE HA H 2 5.060 5.000 0.060 1
1 24 . 12 1 1 A 2 2 ILE CA C 2 58.500 58.726 -0.226 1
1 25 . 12 1 1 A 2 2 ILE CB C 2 41.300 41.273 0.027 1
1 29 . 12 1 1 A 2 2 ILE N N 2 124.600 121.036 3.564 1
1 30 . 12 1 1 A 3 3 THR H H 3 8.280 8.747 -0.467 1
1 31 . 12 1 1 A 3 3 THR HA H 3 5.350 5.401 -0.051 1
1 36 . 12 1 1 A 3 3 THR CA C 3 60.900 61.813 -0.913 1
1 37 . 12 1 1 A 3 3 THR CB C 3 69.900 70.300 -0.400 1
1 39 . 12 1 1 A 3 3 THR N N 3 123.200 124.082 -0.882 1
1 40 . 12 1 1 A 4 4 LEU H H 4 8.710 8.858 -0.148 1
1 41 . 12 1 1 A 4 4 LEU HA H 4 5.040 5.121 -0.081 1
1 51 . 12 1 1 A 4 4 LEU CA C 4 53.800 53.343 0.457 1
1 52 . 12 1 1 A 4 4 LEU CB C 4 45.800 45.993 -0.193 1
1 56 . 12 1 1 A 4 4 LEU N N 4 127.600 122.906 4.694 1
1 57 . 12 1 1 A 5 5 THR H H 5 8.440 8.467 -0.027 1
1 58 . 12 1 1 A 5 5 THR HA H 5 5.040 5.083 -0.043 1
1 63 . 12 1 1 A 5 5 THR CA C 5 59.300 60.377 -1.077 1
1 64 . 12 1 1 A 5 5 THR CB C 5 71.000 71.555 -0.555 1
1 66 . 12 1 1 A 5 5 THR N N 5 109.500 111.725 -2.225 1
1 67 . 12 1 1 A 6 6 LYS H H 6 8.730 9.177 -0.447 1
1 68 . 12 1 1 A 6 6 LYS HA H 6 3.810 3.924 -0.114 1
1 77 . 12 1 1 A 6 6 LYS CA C 6 60.000 60.306 -0.306 1
1 78 . 12 1 1 A 6 6 LYS CB C 6 32.000 32.014 -0.014 1
1 82 . 12 1 1 A 6 6 LYS N N 6 121.500 122.479 -0.979 1
1 83 . 12 1 1 A 7 7 LYS H H 7 8.290 7.804 0.486 1
1 84 . 12 1 1 A 7 7 LYS HA H 7 3.990 3.940 0.050 1
1 93 . 12 1 1 A 7 7 LYS CA C 7 59.200 60.038 -0.838 1
1 94 . 12 1 1 A 7 7 LYS CB C 7 32.400 32.055 0.345 1
1 98 . 12 1 1 A 7 7 LYS N N 7 118.800 117.996 0.804 1
1 99 . 12 1 1 A 8 8 GLN H H 8 7.650 7.987 -0.337 1
1 100 . 12 1 1 A 8 8 GLN HA H 8 3.890 3.967 -0.077 1
1 107 . 12 1 1 A 8 8 GLN CA C 8 58.100 59.167 -1.067 1
1 108 . 12 1 1 A 8 8 GLN CB C 8 27.400 28.725 -1.325 1
1 110 . 12 1 1 A 8 8 GLN N N 8 119.800 118.618 1.182 1
1 112 . 12 1 1 A 9 9 MET H H 9 8.130 7.777 0.353 1
1 113 . 12 1 1 A 9 9 MET HA H 9 4.130 3.993 0.137 1
1 121 . 12 1 1 A 9 9 MET CA C 9 57.500 58.255 -0.755 1
1 122 . 12 1 1 A 9 9 MET CB C 9 30.900 31.967 -1.067 1
1 125 . 12 1 1 A 9 9 MET N N 9 118.300 119.675 -1.375 1
1 126 . 12 1 1 A 10 10 GLU H H 10 8.460 8.014 0.446 1
1 127 . 12 1 1 A 10 10 GLU HA H 10 3.890 3.947 -0.057 1
1 132 . 12 1 1 A 10 10 GLU CA C 10 59.100 59.532 -0.432 1
1 133 . 12 1 1 A 10 10 GLU CB C 10 28.500 29.361 -0.861 1
1 135 . 12 1 1 A 10 10 GLU N N 10 118.500 118.272 0.228 1
1 136 . 12 1 1 A 11 11 GLU H H 11 8.200 8.612 -0.412 1
1 137 . 12 1 1 A 11 11 GLU HA H 11 4.070 4.035 0.035 1
1 142 . 12 1 1 A 11 11 GLU CA C 11 59.200 59.312 -0.112 1
1 143 . 12 1 1 A 11 11 GLU CB C 11 28.900 29.260 -0.360 1
1 145 . 12 1 1 A 11 11 GLU N N 11 120.800 120.474 0.326 1
1 146 . 12 1 1 A 12 12 MET H H 12 7.780 8.220 -0.440 1
1 147 . 12 1 1 A 12 12 MET HA H 12 3.390 4.146 -0.756 1
1 155 . 12 1 1 A 12 12 MET CA C 12 60.600 58.668 1.932 1
1 156 . 12 1 1 A 12 12 MET CB C 12 33.900 32.779 1.121 1
1 159 . 12 1 1 A 12 12 MET N N 12 119.300 119.502 -0.202 1
1 160 . 12 1 1 A 13 13 LEU H H 13 8.340 8.565 -0.225 1
1 161 . 12 1 1 A 13 13 LEU HA H 13 3.770 4.036 -0.266 1
1 171 . 12 1 1 A 13 13 LEU CA C 13 58.000 57.923 0.077 1
1 172 . 12 1 1 A 13 13 LEU CB C 13 41.400 41.462 -0.062 1
1 176 . 12 1 1 A 13 13 LEU N N 13 118.600 119.845 -1.245 1
1 177 . 12 1 1 A 14 14 ALA H H 14 8.620 8.444 0.176 1
1 178 . 12 1 1 A 14 14 ALA HA H 14 4.100 4.098 0.002 1
1 182 . 12 1 1 A 14 14 ALA CA C 14 55.200 55.166 0.034 1
1 183 . 12 1 1 A 14 14 ALA CB C 14 17.800 18.146 -0.346 1
1 184 . 12 1 1 A 14 14 ALA N N 14 121.500 121.252 0.248 1
1 185 . 12 1 1 A 15 15 HIS H H 15 7.780 7.912 -0.132 1
1 186 . 12 1 1 A 15 15 HIS HA H 15 4.460 4.265 0.195 1
1 190 . 12 1 1 A 15 15 HIS CA C 15 59.000 59.617 -0.617 1
1 191 . 12 1 1 A 15 15 HIS CB C 15 29.300 29.579 -0.279 1
1 193 . 12 1 1 A 15 15 HIS N N 15 116.700 118.220 -1.520 1
1 194 . 12 1 1 A 16 16 ALA H H 16 8.390 8.597 -0.207 1
1 195 . 12 1 1 A 16 16 ALA HA H 16 4.100 4.049 0.051 1
1 199 . 12 1 1 A 16 16 ALA CA C 16 54.500 55.461 -0.961 1
1 200 . 12 1 1 A 16 16 ALA CB C 16 18.200 18.132 0.068 1
1 201 . 12 1 1 A 16 16 ALA N N 16 120.000 121.202 -1.202 1
1 202 . 12 1 1 A 17 17 ARG H H 17 8.820 8.146 0.674 1
1 203 . 12 1 1 A 17 17 ARG HA H 17 3.890 4.120 -0.230 1
1 210 . 12 1 1 A 17 17 ARG CA C 17 59.900 59.843 0.057 1
1 211 . 12 1 1 A 17 17 ARG CB C 17 30.100 29.874 0.226 1
1 214 . 12 1 1 A 17 17 ARG N N 17 118.900 117.583 1.317 1
1 215 . 12 1 1 A 18 18 GLN H H 18 8.130 8.055 0.075 1
1 216 . 12 1 1 A 18 18 GLN HA H 18 4.060 4.052 0.008 1
1 223 . 12 1 1 A 18 18 GLN CA C 18 57.900 58.435 -0.535 1
1 224 . 12 1 1 A 18 18 GLN CB C 18 28.000 28.089 -0.089 1
1 226 . 12 1 1 A 18 18 GLN N N 18 118.100 118.803 -0.703 1
1 228 . 12 1 1 A 19 19 ALA H H 19 7.090 7.327 -0.237 1
1 229 . 12 1 1 A 19 19 ALA HA H 19 4.220 4.397 -0.177 1
1 233 . 12 1 1 A 19 19 ALA CA C 19 52.300 51.785 0.515 1
1 234 . 12 1 1 A 19 19 ALA CB C 19 20.600 19.786 0.814 1
1 235 . 12 1 1 A 19 19 ALA N N 19 117.600 119.332 -1.732 1
1 236 . 12 1 1 A 20 20 LEU H H 20 7.020 7.025 -0.005 1
1 237 . 12 1 1 A 20 20 LEU HA H 20 4.110 4.392 -0.282 1
1 247 . 12 1 1 A 20 20 LEU CA C 20 54.600 53.874 0.726 1
1 248 . 12 1 1 A 20 20 LEU CB C 20 40.400 41.472 -1.072 1
1 252 . 12 1 1 A 20 20 LEU N N 20 117.900 122.694 -4.794 1
1 253 . 12 1 1 A 21 21 PRO HA H 21 4.320 4.638 -0.318 1
1 260 . 12 1 1 A 21 21 PRO CA C 21 63.700 63.563 0.137 1
1 261 . 12 1 1 A 21 21 PRO CB C 21 35.000 32.312 2.688 1
1 264 . 12 1 1 A 22 22 ASN H H 22 8.690 8.390 0.300 1
1 265 . 12 1 1 A 22 22 ASN HA H 22 4.570 4.915 -0.345 1
1 270 . 12 1 1 A 22 22 ASN CA C 22 52.400 52.767 -0.367 1
1 271 . 12 1 1 A 22 22 ASN CB C 22 40.000 39.417 0.583 1
1 272 . 12 1 1 A 22 22 ASN N N 22 122.000 121.674 0.326 1
1 274 . 12 1 1 A 23 23 GLU H H 23 8.540 8.647 -0.107 1
1 275 . 12 1 1 A 23 23 GLU HA H 23 4.050 4.651 -0.601 1
1 280 . 12 1 1 A 23 23 GLU CA C 23 57.300 57.049 0.251 1
1 281 . 12 1 1 A 23 23 GLU CB C 23 29.000 30.404 -1.404 1
1 283 . 12 1 1 A 23 23 GLU N N 23 116.100 121.712 -5.612 1
1 284 . 12 1 1 A 24 24 ALA H H 24 8.390 8.046 0.344 1
1 285 . 12 1 1 A 24 24 ALA HA H 24 5.040 4.509 0.531 1
1 289 . 12 1 1 A 24 24 ALA CA C 24 48.900 52.273 -3.373 1
1 290 . 12 1 1 A 24 24 ALA CB C 24 23.200 19.470 3.730 1
1 291 . 12 1 1 A 24 24 ALA N N 24 124.800 127.363 -2.563 1
1 292 . 12 1 1 A 25 25 CYS H H 25 8.910 8.837 0.073 1
1 293 . 12 1 1 A 25 25 CYS HA H 25 5.000 5.212 -0.212 1
1 296 . 12 1 1 A 25 25 CYS CA C 25 55.000 56.828 -1.828 1
1 297 . 12 1 1 A 25 25 CYS CB C 25 32.600 30.502 2.098 1
1 298 . 12 1 1 A 25 25 CYS N N 25 111.700 123.073 -11.373 1
1 299 . 12 1 1 A 26 26 GLY H H 26 7.110 7.496 -0.386 1
1 300 . 12 1 1 A 26 26 GLY HA2 H 26 3.820 3.831 -0.011 1
1 301 . 12 1 1 A 26 26 GLY HA3 H 26 4.070 3.990 0.080 1
1 302 . 12 1 1 A 26 26 GLY CA C 26 46.500 45.623 0.877 1
1 303 . 12 1 1 A 26 26 GLY N N 26 103.200 109.196 -5.996 1
1 304 . 12 1 1 A 27 27 LEU H H 27 8.830 9.027 -0.197 1
1 305 . 12 1 1 A 27 27 LEU HA H 27 5.200 5.406 -0.206 1
1 315 . 12 1 1 A 27 27 LEU CA C 27 53.200 53.254 -0.054 1
1 316 . 12 1 1 A 27 27 LEU CB C 27 46.600 45.575 1.025 1
1 320 . 12 1 1 A 27 27 LEU N N 27 116.700 121.125 -4.425 1
1 321 . 12 1 1 A 28 28 LEU H H 28 8.060 9.001 -0.941 1
1 322 . 12 1 1 A 28 28 LEU HA H 28 5.200 5.169 0.031 1
1 332 . 12 1 1 A 28 28 LEU CA C 28 53.400 53.001 0.399 1
1 333 . 12 1 1 A 28 28 LEU CB C 28 44.900 44.457 0.443 1
1 337 . 12 1 1 A 28 28 LEU N N 28 118.200 121.979 -3.779 1
1 338 . 12 1 1 A 29 29 GLY H H 29 9.210 8.980 0.230 1
1 339 . 12 1 1 A 29 29 GLY HA2 H 29 3.750 4.230 -0.480 1
1 340 . 12 1 1 A 29 29 GLY HA3 H 29 5.800 4.288 1.512 1
1 341 . 12 1 1 A 29 29 GLY CA C 29 43.600 44.480 -0.880 1
1 342 . 12 1 1 A 29 29 GLY N N 29 109.500 111.750 -2.250 1
1 343 . 12 1 1 A 30 30 GLY H H 30 9.520 8.879 0.641 1
1 344 . 12 1 1 A 30 30 GLY HA2 H 30 3.210 3.919 -0.709 1
1 345 . 12 1 1 A 30 30 GLY HA3 H 30 4.800 4.204 0.596 1
1 346 . 12 1 1 A 30 30 GLY CA C 30 47.500 46.011 1.489 1
1 347 . 12 1 1 A 30 30 GLY N N 30 111.700 109.565 2.135 1
1 348 . 12 1 1 A 31 31 ARG H H 31 8.900 8.722 0.178 1
1 349 . 12 1 1 A 31 31 ARG HA H 31 5.170 5.287 -0.117 1
1 356 . 12 1 1 A 31 31 ARG CA C 31 54.200 54.421 -0.221 1
1 357 . 12 1 1 A 31 31 ARG CB C 31 34.200 35.072 -0.872 1
1 360 . 12 1 1 A 31 31 ARG N N 31 123.000 122.330 0.670 1
1 361 . 12 1 1 A 32 32 ARG H H 32 9.070 8.925 0.145 1
1 362 . 12 1 1 A 32 32 ARG HA H 32 5.140 5.432 -0.292 1
1 369 . 12 1 1 A 32 32 ARG CA C 32 54.700 54.934 -0.234 1
1 370 . 12 1 1 A 32 32 ARG CB C 32 33.700 32.072 1.628 1
1 373 . 12 1 1 A 32 32 ARG N N 32 121.500 120.405 1.095 1
1 374 . 12 1 1 A 33 33 ASP H H 33 8.640 9.066 -0.426 1
1 375 . 12 1 1 A 33 33 ASP HA H 33 4.850 4.801 0.049 1
1 378 . 12 1 1 A 33 33 ASP CA C 33 53.400 53.974 -0.574 1
1 379 . 12 1 1 A 33 33 ASP CB C 33 42.100 41.729 0.371 1
1 380 . 12 1 1 A 33 33 ASP N N 33 124.200 123.175 1.025 1
1 381 . 12 1 1 A 34 34 GLY H H 34 9.020 7.825 1.195 1
1 382 . 12 1 1 A 34 34 GLY HA2 H 34 3.670 4.023 -0.353 1
1 383 . 12 1 1 A 34 34 GLY HA3 H 34 4.000 4.027 -0.027 1
1 384 . 12 1 1 A 34 34 GLY CA C 34 47.200 45.505 1.695 1
1 385 . 12 1 1 A 34 34 GLY N N 34 115.900 106.816 9.084 1
1 386 . 12 1 1 A 35 35 ASP H H 35 9.070 8.259 0.811 1
1 387 . 12 1 1 A 35 35 ASP HA H 35 4.650 4.893 -0.243 1
1 390 . 12 1 1 A 35 35 ASP CA C 35 54.800 54.999 -0.199 1
1 391 . 12 1 1 A 35 35 ASP CB C 35 41.000 43.604 -2.604 1
1 392 . 12 1 1 A 35 35 ASP N N 35 127.300 121.587 5.713 1
1 393 . 12 1 1 A 36 36 ASP H H 36 8.070 7.786 0.284 1
1 394 . 12 1 1 A 36 36 ASP HA H 36 4.950 4.823 0.127 1
1 397 . 12 1 1 A 36 36 ASP CA C 36 53.700 52.556 1.144 1
1 398 . 12 1 1 A 36 36 ASP CB C 36 41.700 42.460 -0.760 1
1 399 . 12 1 1 A 36 36 ASP N N 36 120.600 118.429 2.171 1
1 400 . 12 1 1 A 37 37 ARG H H 37 8.070 7.825 0.245 1
1 401 . 12 1 1 A 37 37 ARG HA H 37 4.850 5.190 -0.340 1
1 408 . 12 1 1 A 37 37 ARG CA C 37 55.400 54.465 0.935 1
1 409 . 12 1 1 A 37 37 ARG CB C 37 32.900 33.519 -0.619 1
1 412 . 12 1 1 A 37 37 ARG N N 37 120.800 118.682 2.118 1
1 413 . 12 1 1 A 38 38 TRP H H 38 9.380 9.609 -0.229 1
1 414 . 12 1 1 A 38 38 TRP HA H 38 4.840 5.260 -0.420 1
1 423 . 12 1 1 A 38 38 TRP CA C 38 57.000 55.628 1.372 1
1 424 . 12 1 1 A 38 38 TRP CB C 38 30.100 31.780 -1.680 1
1 430 . 12 1 1 A 38 38 TRP N N 38 124.900 123.021 1.879 1
1 432 . 12 1 1 A 39 39 VAL H H 39 8.450 9.467 -1.017 1
1 433 . 12 1 1 A 39 39 VAL HA H 39 3.390 4.249 -0.859 1
1 441 . 12 1 1 A 39 39 VAL CA C 39 64.500 62.302 2.198 1
1 442 . 12 1 1 A 39 39 VAL CB C 39 31.500 32.224 -0.724 1
1 445 . 12 1 1 A 39 39 VAL N N 39 124.400 124.999 -0.599 1
1 446 . 12 1 1 A 40 40 GLU H H 40 9.080 9.122 -0.042 1
1 447 . 12 1 1 A 40 40 GLU HA H 40 4.350 4.410 -0.060 1
1 452 . 12 1 1 A 40 40 GLU CA C 40 54.900 56.261 -1.361 1
1 453 . 12 1 1 A 40 40 GLU CB C 40 29.500 30.772 -1.272 1
1 455 . 12 1 1 A 40 40 GLU N N 40 124.200 122.823 1.377 1
1 456 . 12 1 1 A 41 41 ARG H H 41 7.610 7.338 0.272 1
1 457 . 12 1 1 A 41 41 ARG HA H 41 4.070 4.635 -0.565 1
1 464 . 12 1 1 A 41 41 ARG CA C 41 56.800 55.333 1.467 1
1 465 . 12 1 1 A 41 41 ARG CB C 41 33.600 33.456 0.144 1
1 468 . 12 1 1 A 41 41 ARG N N 41 120.000 119.202 0.798 1
1 469 . 12 1 1 A 42 42 VAL H H 42 8.460 8.652 -0.192 1
1 470 . 12 1 1 A 42 42 VAL HA H 42 4.300 4.730 -0.430 1
1 478 . 12 1 1 A 42 42 VAL CA C 42 60.900 61.175 -0.275 1
1 479 . 12 1 1 A 42 42 VAL CB C 42 32.900 33.652 -0.752 1
1 482 . 12 1 1 A 42 42 VAL N N 42 125.600 125.537 0.063 1
1 483 . 12 1 1 A 43 43 TYR H H 43 9.070 8.808 0.262 1
1 484 . 12 1 1 A 43 43 TYR HA H 43 4.930 5.227 -0.297 1
1 491 . 12 1 1 A 43 43 TYR CA C 43 54.600 55.037 -0.437 1
1 492 . 12 1 1 A 43 43 TYR CB C 43 38.500 39.101 -0.601 1
1 495 . 12 1 1 A 43 43 TYR N N 43 124.800 126.413 -1.613 1
1 496 . 12 1 1 A 44 44 PRO HA H 44 4.260 4.559 -0.299 1
1 503 . 12 1 1 A 44 44 PRO CA C 44 63.200 62.482 0.718 1
1 504 . 12 1 1 A 44 44 PRO CB C 44 30.100 31.763 -1.663 1
1 507 . 12 1 1 A 45 45 LEU H H 45 8.270 8.194 0.076 1
1 508 . 12 1 1 A 45 45 LEU HA H 45 4.930 4.709 0.221 1
1 518 . 12 1 1 A 45 45 LEU CA C 45 53.800 53.453 0.347 1
1 519 . 12 1 1 A 45 45 LEU CB C 45 45.600 42.492 3.108 1
1 523 . 12 1 1 A 45 45 LEU N N 45 125.800 122.761 3.039 1
1 524 . 12 1 1 A 46 46 ASN H H 46 9.120 8.980 0.140 1
1 525 . 12 1 1 A 46 46 ASN HA H 46 4.630 5.234 -0.604 1
1 530 . 12 1 1 A 46 46 ASN CA C 46 56.000 52.796 3.204 1
1 531 . 12 1 1 A 46 46 ASN CB C 46 39.000 40.497 -1.497 1
1 532 . 12 1 1 A 46 46 ASN N N 46 119.000 119.226 -0.226 1
1 534 . 12 1 1 A 47 47 ASN H H 47 8.460 8.694 -0.234 1
1 535 . 12 1 1 A 47 47 ASN HA H 47 5.260 4.860 0.400 1
1 540 . 12 1 1 A 47 47 ASN CA C 47 51.200 51.818 -0.618 1
1 541 . 12 1 1 A 47 47 ASN CB C 47 37.700 38.076 -0.376 1
1 542 . 12 1 1 A 47 47 ASN N N 47 118.500 122.077 -3.577 1
1 544 . 12 1 1 A 48 48 LEU H H 48 8.890 8.629 0.261 1
1 545 . 12 1 1 A 48 48 LEU HA H 48 4.070 4.260 -0.190 1
1 555 . 12 1 1 A 48 48 LEU CA C 48 56.800 57.127 -0.327 1
1 556 . 12 1 1 A 48 48 LEU CB C 48 41.600 41.565 0.035 1
1 560 . 12 1 1 A 48 48 LEU N N 48 127.100 125.823 1.277 1
1 561 . 12 1 1 A 49 49 ASP H H 49 7.820 7.552 0.268 1
1 562 . 12 1 1 A 49 49 ASP HA H 49 4.430 4.495 -0.065 1
1 565 . 12 1 1 A 49 49 ASP CA C 49 54.500 57.298 -2.798 1
1 566 . 12 1 1 A 49 49 ASP CB C 49 40.100 41.374 -1.274 1
1 567 . 12 1 1 A 49 49 ASP N N 49 115.700 120.042 -4.342 1
1 568 . 12 1 1 A 50 50 GLN H H 50 7.770 7.821 -0.051 1
1 569 . 12 1 1 A 50 50 GLN HA H 50 3.880 3.986 -0.106 1
1 576 . 12 1 1 A 50 50 GLN CA C 50 56.000 57.145 -1.145 1
1 577 . 12 1 1 A 50 50 GLN CB C 50 27.400 26.466 0.934 1
1 579 . 12 1 1 A 50 50 GLN N N 50 115.300 117.386 -2.086 1
1 581 . 12 1 1 A 51 51 SER H H 51 6.370 8.006 -1.636 1
1 582 . 12 1 1 A 51 51 SER HA H 51 5.210 4.787 0.423 1
1 585 . 12 1 1 A 51 51 SER CA C 51 53.700 56.456 -2.756 1
1 586 . 12 1 1 A 51 51 SER CB C 51 66.100 63.859 2.241 1
1 587 . 12 1 1 A 51 51 SER N N 51 109.000 114.729 -5.729 1
1 588 . 12 1 1 A 52 52 PRO HA H 52 4.830 4.554 0.276 1
1 595 . 12 1 1 A 52 52 PRO CA C 52 64.000 64.178 -0.178 1
1 596 . 12 1 1 A 52 52 PRO CB C 52 33.300 31.894 1.406 1
1 599 . 12 1 1 A 53 53 GLU H H 53 8.320 8.478 -0.158 1
1 600 . 12 1 1 A 53 53 GLU HA H 53 4.510 4.099 0.411 1
1 605 . 12 1 1 A 53 53 GLU CA C 53 55.700 58.520 -2.820 1
1 606 . 12 1 1 A 53 53 GLU CB C 53 32.400 29.564 2.836 1
1 608 . 12 1 1 A 53 53 GLU N N 53 113.900 115.956 -2.056 1
1 609 . 12 1 1 A 54 54 HIS H H 54 7.070 7.653 -0.583 1
1 610 . 12 1 1 A 54 54 HIS HA H 54 4.750 5.545 -0.795 1
1 614 . 12 1 1 A 54 54 HIS CA C 54 54.100 54.719 -0.619 1
1 615 . 12 1 1 A 54 54 HIS CB C 54 31.100 33.943 -2.843 1
1 617 . 12 1 1 A 54 54 HIS N N 54 112.500 116.072 -3.572 1
1 618 . 12 1 1 A 55 55 PHE H H 55 7.900 8.355 -0.455 1
1 619 . 12 1 1 A 55 55 PHE HA H 55 5.580 6.022 -0.442 1
1 627 . 12 1 1 A 55 55 PHE CA C 55 55.400 54.996 0.404 1
1 628 . 12 1 1 A 55 55 PHE CB C 55 41.200 42.329 -1.129 1
1 632 . 12 1 1 A 55 55 PHE N N 55 114.900 117.536 -2.636 1
1 633 . 12 1 1 A 56 56 SER H H 56 7.690 8.471 -0.781 1
1 634 . 12 1 1 A 56 56 SER HA H 56 4.300 4.738 -0.438 1
1 637 . 12 1 1 A 56 56 SER CA C 56 57.800 57.615 0.185 1
1 638 . 12 1 1 A 56 56 SER CB C 56 65.300 65.105 0.195 1
1 639 . 12 1 1 A 56 56 SER N N 56 112.900 112.796 0.104 1
1 640 . 12 1 1 A 57 57 MET H H 57 8.750 8.317 0.433 1
1 641 . 12 1 1 A 57 57 MET HA H 57 4.860 4.775 0.085 1
1 649 . 12 1 1 A 57 57 MET CA C 57 54.400 55.887 -1.487 1
1 650 . 12 1 1 A 57 57 MET CB C 57 36.000 32.809 3.191 1
1 653 . 12 1 1 A 57 57 MET N N 57 120.000 119.654 0.346 1
1 654 . 12 1 1 A 58 58 ASP H H 58 10.180 8.554 1.626 1
1 655 . 12 1 1 A 58 58 ASP HA H 58 4.740 5.093 -0.353 1
1 658 . 12 1 1 A 58 58 ASP CA C 58 51.700 50.574 1.126 1
1 659 . 12 1 1 A 58 58 ASP CB C 58 42.700 43.871 -1.171 1
1 660 . 12 1 1 A 58 58 ASP N N 58 126.600 119.466 7.134 1
1 661 . 12 1 1 A 59 59 PRO HA H 59 4.400 4.382 0.018 1
1 668 . 12 1 1 A 59 59 PRO CA C 59 65.300 64.684 0.616 1
1 669 . 12 1 1 A 59 59 PRO CB C 59 32.300 32.132 0.168 1
1 672 . 12 1 1 A 60 60 ARG H H 60 8.520 8.433 0.087 1
1 673 . 12 1 1 A 60 60 ARG HA H 60 4.120 4.032 0.088 1
1 680 . 12 1 1 A 60 60 ARG CA C 60 59.200 59.468 -0.268 1
1 681 . 12 1 1 A 60 60 ARG CB C 60 29.500 29.889 -0.389 1
1 684 . 12 1 1 A 60 60 ARG N N 60 118.700 118.517 0.183 1
1 685 . 12 1 1 A 61 61 GLU H H 61 7.730 7.969 -0.239 1
1 686 . 12 1 1 A 61 61 GLU HA H 61 4.190 4.023 0.167 1
1 691 . 12 1 1 A 61 61 GLU CA C 61 59.000 59.258 -0.258 1
1 692 . 12 1 1 A 61 61 GLU CB C 61 30.200 28.902 1.298 1
1 694 . 12 1 1 A 61 61 GLU N N 61 119.800 118.603 1.197 1
1 695 . 12 1 1 A 62 62 GLN H H 62 8.220 7.714 0.506 1
1 696 . 12 1 1 A 62 62 GLN HA H 62 3.830 4.002 -0.172 1
1 703 . 12 1 1 A 62 62 GLN CA C 62 59.900 58.619 1.281 1
1 704 . 12 1 1 A 62 62 GLN CB C 62 29.000 28.053 0.947 1
1 706 . 12 1 1 A 62 62 GLN N N 62 118.700 119.560 -0.860 1
1 708 . 12 1 1 A 63 63 LEU H H 63 7.950 7.953 -0.003 1
1 709 . 12 1 1 A 63 63 LEU HA H 63 4.110 4.040 0.070 1
1 719 . 12 1 1 A 63 63 LEU CA C 63 58.000 58.064 -0.064 1
1 720 . 12 1 1 A 63 63 LEU CB C 63 41.400 41.663 -0.263 1
1 724 . 12 1 1 A 63 63 LEU N N 63 119.200 120.833 -1.633 1
1 725 . 12 1 1 A 64 64 THR H H 64 7.910 7.991 -0.081 1
1 726 . 12 1 1 A 64 64 THR HA H 64 3.790 3.887 -0.097 1
1 731 . 12 1 1 A 64 64 THR CA C 64 66.800 66.357 0.443 1
1 732 . 12 1 1 A 64 64 THR CB C 64 68.700 68.387 0.313 1
1 734 . 12 1 1 A 64 64 THR N N 64 116.000 114.453 1.547 1
1 735 . 12 1 1 A 65 65 ALA H H 65 7.520 7.813 -0.293 1
1 736 . 12 1 1 A 65 65 ALA HA H 65 3.970 4.048 -0.078 1
1 740 . 12 1 1 A 65 65 ALA CA C 65 55.100 55.169 -0.069 1
1 741 . 12 1 1 A 65 65 ALA CB C 65 17.900 18.066 -0.166 1
1 742 . 12 1 1 A 65 65 ALA N N 65 125.200 123.638 1.562 1
1 743 . 12 1 1 A 66 66 VAL H H 66 8.420 7.739 0.681 1
1 744 . 12 1 1 A 66 66 VAL HA H 66 3.840 3.442 0.398 1
1 752 . 12 1 1 A 66 66 VAL CA C 66 66.200 67.051 -0.851 1
1 753 . 12 1 1 A 66 66 VAL CB C 66 31.700 31.430 0.270 1
1 756 . 12 1 1 A 66 66 VAL N N 66 119.300 118.608 0.692 1
1 757 . 12 1 1 A 67 67 LYS H H 67 8.570 8.031 0.539 1
1 758 . 12 1 1 A 67 67 LYS HA H 67 3.960 3.964 -0.004 1
1 767 . 12 1 1 A 67 67 LYS CA C 67 60.300 59.316 0.984 1
1 768 . 12 1 1 A 67 67 LYS CB C 67 32.200 32.055 0.145 1
1 772 . 12 1 1 A 67 67 LYS N N 67 120.600 120.370 0.230 1
1 773 . 12 1 1 A 68 68 ASP H H 68 7.660 8.796 -1.136 1
1 774 . 12 1 1 A 68 68 ASP HA H 68 4.290 4.419 -0.129 1
1 777 . 12 1 1 A 68 68 ASP CA C 68 58.300 57.720 0.580 1
1 778 . 12 1 1 A 68 68 ASP CB C 68 42.700 42.363 0.337 1
1 779 . 12 1 1 A 68 68 ASP N N 68 121.500 119.670 1.830 1
1 780 . 12 1 1 A 69 69 MET H H 69 8.620 8.131 0.489 1
1 781 . 12 1 1 A 69 69 MET HA H 69 4.250 4.169 0.081 1
1 789 . 12 1 1 A 69 69 MET CA C 69 60.300 58.689 1.611 1
1 790 . 12 1 1 A 69 69 MET CB C 69 32.700 32.042 0.658 1
1 793 . 12 1 1 A 69 69 MET N N 69 120.100 119.433 0.667 1
1 794 . 12 1 1 A 70 70 ARG H H 70 8.500 7.573 0.927 1
1 795 . 12 1 1 A 70 70 ARG HA H 70 4.110 4.398 -0.288 1
1 802 . 12 1 1 A 70 70 ARG CA C 70 59.200 58.923 0.277 1
1 803 . 12 1 1 A 70 70 ARG CB C 70 29.600 29.441 0.159 1
1 806 . 12 1 1 A 70 70 ARG N N 70 119.000 120.292 -1.292 1
1 807 . 12 1 1 A 71 71 LYS H H 71 8.020 8.124 -0.104 1
1 808 . 12 1 1 A 71 71 LYS HA H 71 3.970 4.064 -0.094 1
1 817 . 12 1 1 A 71 71 LYS CA C 71 58.800 59.236 -0.436 1
1 818 . 12 1 1 A 71 71 LYS CB C 71 32.000 32.183 -0.183 1
1 822 . 12 1 1 A 71 71 LYS N N 71 121.100 119.843 1.257 1
1 823 . 12 1 1 A 72 72 ASN H H 72 6.960 7.752 -0.792 1
1 824 . 12 1 1 A 72 72 ASN HA H 72 4.090 4.865 -0.775 1
1 829 . 12 1 1 A 72 72 ASN CA C 72 53.300 53.251 0.049 1
1 830 . 12 1 1 A 72 72 ASN CB C 72 39.000 39.207 -0.207 1
1 831 . 12 1 1 A 72 72 ASN N N 72 114.600 116.258 -1.658 1
1 833 . 12 1 1 A 73 73 GLY H H 73 7.560 8.171 -0.611 1
1 834 . 12 1 1 A 73 73 GLY HA2 H 73 3.890 3.620 0.270 1
1 835 . 12 1 1 A 73 73 GLY HA3 H 73 3.760 3.798 -0.038 1
1 836 . 12 1 1 A 73 73 GLY CA C 73 45.900 45.330 0.570 1
1 837 . 12 1 1 A 73 73 GLY N N 73 106.700 106.924 -0.224 1
1 838 . 12 1 1 A 74 74 TRP H H 74 8.240 8.136 0.104 1
1 839 . 12 1 1 A 74 74 TRP HA H 74 5.260 5.274 -0.014 1
1 848 . 12 1 1 A 74 74 TRP CA C 74 53.100 55.765 -2.665 1
1 849 . 12 1 1 A 74 74 TRP CB C 74 31.400 34.266 -2.866 1
1 855 . 12 1 1 A 74 74 TRP N N 74 120.700 119.443 1.257 1
1 857 . 12 1 1 A 75 75 VAL H H 75 9.410 9.371 0.039 1
1 858 . 12 1 1 A 75 75 VAL HA H 75 4.800 4.932 -0.132 1
1 866 . 12 1 1 A 75 75 VAL CA C 75 58.500 59.179 -0.679 1
1 867 . 12 1 1 A 75 75 VAL CB C 75 35.500 35.307 0.193 1
1 870 . 12 1 1 A 75 75 VAL N N 75 112.100 116.824 -4.724 1
1 871 . 12 1 1 A 76 76 MET H H 76 8.800 8.742 0.058 1
1 872 . 12 1 1 A 76 76 MET HA H 76 4.650 4.993 -0.343 1
1 880 . 12 1 1 A 76 76 MET CA C 76 56.900 54.660 2.240 1
1 881 . 12 1 1 A 76 76 MET CB C 76 32.600 34.039 -1.439 1
1 884 . 12 1 1 A 76 76 MET N N 76 122.400 123.329 -0.929 1
1 885 . 12 1 1 A 77 77 LEU H H 77 8.780 9.725 -0.945 1
1 886 . 12 1 1 A 77 77 LEU HA H 77 4.480 4.847 -0.367 1
1 896 . 12 1 1 A 77 77 LEU CA C 77 54.100 54.815 -0.715 1
1 897 . 12 1 1 A 77 77 LEU CB C 77 44.700 43.418 1.282 1
1 901 . 12 1 1 A 77 77 LEU N N 77 125.600 127.375 -1.775 1
1 902 . 12 1 1 A 78 78 GLY H H 78 7.590 7.448 0.142 1
1 903 . 12 1 1 A 78 78 GLY HA2 H 78 5.150 4.023 1.127 1
1 904 . 12 1 1 A 78 78 GLY HA3 H 78 3.660 4.033 -0.373 1
1 905 . 12 1 1 A 78 78 GLY CA C 78 45.700 45.008 0.692 1
1 906 . 12 1 1 A 78 78 GLY N N 78 102.900 105.607 -2.707 1
1 907 . 12 1 1 A 79 79 ASN H H 79 8.520 8.027 0.493 1
1 908 . 12 1 1 A 79 79 ASN HA H 79 5.230 5.737 -0.507 1
1 913 . 12 1 1 A 79 79 ASN CA C 79 51.100 51.333 -0.233 1
1 914 . 12 1 1 A 79 79 ASN CB C 79 41.500 42.565 -1.065 1
1 915 . 12 1 1 A 79 79 ASN N N 79 115.600 116.616 -1.016 1
1 917 . 12 1 1 A 80 80 PHE H H 80 8.410 8.735 -0.325 1
1 918 . 12 1 1 A 80 80 PHE HA H 80 6.120 5.890 0.230 1
1 926 . 12 1 1 A 80 80 PHE CA C 80 54.500 55.508 -1.008 1
1 927 . 12 1 1 A 80 80 PHE CB C 80 44.800 42.816 1.984 1
1 931 . 12 1 1 A 80 80 PHE N N 80 113.100 116.137 -3.037 1
1 932 . 12 1 1 A 81 81 HIS H H 81 8.310 9.287 -0.977 1
1 933 . 12 1 1 A 81 81 HIS HA H 81 5.300 5.710 -0.410 1
1 938 . 12 1 1 A 81 81 HIS CA C 81 54.400 54.497 -0.097 1
1 939 . 12 1 1 A 81 81 HIS CB C 81 30.300 32.428 -2.128 1
1 942 . 12 1 1 A 81 81 HIS N N 81 111.600 116.039 -4.439 1
1 943 . 12 1 1 A 82 82 SER H H 82 8.390 8.945 -0.555 1
1 944 . 12 1 1 A 82 82 SER HA H 82 5.510 5.781 -0.271 1
1 947 . 12 1 1 A 82 82 SER CA C 82 54.800 55.987 -1.187 1
1 948 . 12 1 1 A 82 82 SER CB C 82 66.700 66.280 0.420 1
1 949 . 12 1 1 A 82 82 SER N N 82 112.700 114.431 -1.731 1
1 950 . 12 1 1 A 83 83 HIS H H 83 8.890 9.222 -0.332 1
1 951 . 12 1 1 A 83 83 HIS HA H 83 5.480 4.840 0.640 1
1 956 . 12 1 1 A 83 83 HIS CA C 83 49.900 54.137 -4.237 1
1 957 . 12 1 1 A 83 83 HIS CB C 83 32.000 31.267 0.733 1
1 960 . 12 1 1 A 83 83 HIS N N 83 115.200 119.493 -4.293 1
1 961 . 12 1 1 A 84 84 PRO HA H 84 3.940 4.527 -0.587 1
1 968 . 12 1 1 A 84 84 PRO CA C 84 65.600 64.391 1.209 1
1 969 . 12 1 1 A 84 84 PRO CB C 84 33.300 32.167 1.133 1
1 972 . 12 1 1 A 85 85 ALA H H 85 8.410 8.147 0.263 1
1 973 . 12 1 1 A 85 85 ALA HA H 85 4.670 4.563 0.107 1
1 977 . 12 1 1 A 85 85 ALA CA C 85 51.300 51.661 -0.361 1
1 978 . 12 1 1 A 85 85 ALA CB C 85 21.200 20.166 1.034 1
1 979 . 12 1 1 A 85 85 ALA N N 85 112.800 119.480 -6.680 1
1 980 . 12 1 1 A 86 86 THR H H 86 7.070 7.576 -0.506 1
1 981 . 12 1 1 A 86 86 THR HA H 86 4.960 5.125 -0.165 1
1 986 . 12 1 1 A 86 86 THR CA C 86 58.600 58.621 -0.021 1
1 987 . 12 1 1 A 86 86 THR CB C 86 69.500 70.685 -1.185 1
1 989 . 12 1 1 A 86 86 THR N N 86 109.200 108.465 0.735 1
1 990 . 12 1 1 A 87 87 PRO HA H 87 4.630 4.637 -0.007 1
1 997 . 12 1 1 A 87 87 PRO CA C 87 62.700 62.684 0.016 1
1 998 . 12 1 1 A 87 87 PRO CB C 87 33.500 33.033 0.467 1
1 1001 . 12 1 1 A 88 88 ALA H H 88 9.760 8.315 1.445 1
1 1002 . 12 1 1 A 88 88 ALA HA H 88 3.960 4.291 -0.331 1
1 1006 . 12 1 1 A 88 88 ALA CA C 88 51.700 51.629 0.071 1
1 1007 . 12 1 1 A 88 88 ALA CB C 88 16.300 17.501 -1.201 1
1 1008 . 12 1 1 A 88 88 ALA N N 88 127.600 122.605 4.995 1
1 1009 . 12 1 1 A 89 89 ARG H H 89 7.570 7.792 -0.222 1
1 1010 . 12 1 1 A 89 89 ARG HA H 89 4.280 4.170 0.110 1
1 1017 . 12 1 1 A 89 89 ARG CA C 89 53.200 52.418 0.782 1
1 1018 . 12 1 1 A 89 89 ARG CB C 89 31.300 32.831 -1.531 1
1 1021 . 12 1 1 A 89 89 ARG N N 89 118.300 119.029 -0.729 1
1 1022 . 12 1 1 A 90 90 PRO HA H 90 4.510 4.358 0.152 1
1 1029 . 12 1 1 A 90 90 PRO CA C 90 62.900 62.932 -0.032 1
1 1030 . 12 1 1 A 90 90 PRO CB C 90 31.300 31.487 -0.187 1
1 1033 . 12 1 1 A 91 91 SER H H 91 9.630 8.525 1.105 1
1 1034 . 12 1 1 A 91 91 SER HA H 91 4.600 4.623 -0.023 1
1 1037 . 12 1 1 A 91 91 SER CA C 91 56.500 58.498 -1.998 1
1 1038 . 12 1 1 A 91 91 SER CB C 91 66.000 64.559 1.441 1
1 1039 . 12 1 1 A 91 91 SER N N 91 122.500 118.692 3.808 1
1 1040 . 12 1 1 A 92 92 ALA H H 92 8.910 9.015 -0.105 1
1 1041 . 12 1 1 A 92 92 ALA HA H 92 3.980 3.970 0.010 1
1 1045 . 12 1 1 A 92 92 ALA CA C 92 55.900 55.399 0.501 1
1 1046 . 12 1 1 A 92 92 ALA CB C 92 17.800 18.066 -0.266 1
1 1047 . 12 1 1 A 92 92 ALA N N 92 123.000 125.165 -2.165 1
1 1048 . 12 1 1 A 93 93 GLU H H 93 8.370 7.989 0.381 1
1 1049 . 12 1 1 A 93 93 GLU HA H 93 4.070 3.861 0.209 1
1 1054 . 12 1 1 A 93 93 GLU CA C 93 58.900 58.992 -0.092 1
1 1055 . 12 1 1 A 93 93 GLU CB C 93 28.800 29.302 -0.502 1
1 1057 . 12 1 1 A 93 93 GLU N N 93 118.800 118.106 0.694 1
1 1058 . 12 1 1 A 94 94 ASP H H 94 7.770 8.196 -0.426 1
1 1059 . 12 1 1 A 94 94 ASP HA H 94 4.260 4.288 -0.028 1
1 1062 . 12 1 1 A 94 94 ASP CA C 94 57.100 57.300 -0.200 1
1 1063 . 12 1 1 A 94 94 ASP CB C 94 40.200 41.240 -1.040 1
1 1064 . 12 1 1 A 94 94 ASP N N 94 119.200 119.692 -0.492 1
1 1065 . 12 1 1 A 95 95 LYS H H 95 7.830 8.260 -0.430 1
1 1066 . 12 1 1 A 95 95 LYS HA H 95 3.720 3.871 -0.151 1
1 1075 . 12 1 1 A 95 95 LYS CA C 95 59.500 58.614 0.886 1
1 1076 . 12 1 1 A 95 95 LYS CB C 95 31.900 32.106 -0.206 1
1 1080 . 12 1 1 A 95 95 LYS N N 95 116.400 118.060 -1.660 1
1 1081 . 12 1 1 A 96 96 ARG H H 96 7.570 7.784 -0.214 1
1 1082 . 12 1 1 A 96 96 ARG HA H 96 3.940 4.042 -0.102 1
1 1089 . 12 1 1 A 96 96 ARG CA C 96 58.500 58.027 0.473 1
1 1090 . 12 1 1 A 96 96 ARG CB C 96 30.100 30.225 -0.125 1
1 1093 . 12 1 1 A 96 96 ARG N N 96 119.400 118.685 0.715 1
1 1094 . 12 1 1 A 97 97 LEU H H 97 7.270 7.440 -0.170 1
1 1095 . 12 1 1 A 97 97 LEU HA H 97 4.030 3.847 0.183 1
1 1105 . 12 1 1 A 97 97 LEU CA C 97 54.400 53.808 0.592 1
1 1106 . 12 1 1 A 97 97 LEU CB C 97 41.600 40.938 0.662 1
1 1110 . 12 1 1 A 97 97 LEU N N 97 116.100 116.738 -0.638 1
1 1111 . 12 1 1 A 98 98 ALA H H 98 6.950 6.729 0.221 1
1 1112 . 12 1 1 A 98 98 ALA HA H 98 4.230 4.670 -0.440 1
1 1116 . 12 1 1 A 98 98 ALA CA C 98 50.800 51.216 -0.416 1
1 1117 . 12 1 1 A 98 98 ALA CB C 98 16.700 18.407 -1.707 1
1 1118 . 12 1 1 A 98 98 ALA N N 98 124.800 123.741 1.059 1
1 1119 . 12 1 1 A 99 99 PHE H H 99 7.630 8.152 -0.522 1
1 1120 . 12 1 1 A 99 99 PHE HA H 99 4.490 4.744 -0.254 1
1 1128 . 12 1 1 A 99 99 PHE CA C 99 58.200 58.097 0.103 1
1 1129 . 12 1 1 A 99 99 PHE CB C 99 39.500 39.930 -0.430 1
1 1133 . 12 1 1 A 99 99 PHE N N 99 120.400 122.536 -2.136 1
1 1134 . 12 1 1 A 100 100 ASP H H 100 7.320 7.849 -0.529 1
1 1135 . 12 1 1 A 100 100 ASP HA H 100 5.240 4.860 0.380 1
1 1138 . 12 1 1 A 100 100 ASP CA C 100 49.900 52.676 -2.776 1
1 1139 . 12 1 1 A 100 100 ASP CB C 100 42.200 40.264 1.936 1
1 1140 . 12 1 1 A 100 100 ASP N N 100 118.200 120.527 -2.327 1
1 1141 . 12 1 1 A 101 101 PRO HA H 101 5.040 4.522 0.518 1
1 1148 . 12 1 1 A 101 101 PRO CA C 101 64.200 65.070 -0.870 1
1 1149 . 12 1 1 A 101 101 PRO CB C 101 32.800 32.079 0.721 1
1 1152 . 12 1 1 A 102 102 SER H H 102 8.950 8.088 0.862 1
1 1153 . 12 1 1 A 102 102 SER HA H 102 4.530 4.798 -0.268 1
1 1156 . 12 1 1 A 102 102 SER CA C 102 59.300 57.125 2.175 1
1 1157 . 12 1 1 A 102 102 SER CB C 102 64.500 64.335 0.165 1
1 1158 . 12 1 1 A 102 102 SER N N 102 117.700 111.446 6.254 1
1 1159 . 12 1 1 A 103 103 LEU H H 103 6.850 7.453 -0.603 1
1 1160 . 12 1 1 A 103 103 LEU HA H 103 4.200 4.275 -0.075 1
1 1170 . 12 1 1 A 103 103 LEU CA C 103 53.700 54.137 -0.437 1
1 1171 . 12 1 1 A 103 103 LEU CB C 103 41.800 42.664 -0.864 1
1 1175 . 12 1 1 A 103 103 LEU N N 103 121.100 123.657 -2.557 1
1 1176 . 12 1 1 A 104 104 SER H H 104 8.080 8.813 -0.733 1
1 1177 . 12 1 1 A 104 104 SER HA H 104 4.310 5.018 -0.708 1
1 1180 . 12 1 1 A 104 104 SER CA C 104 60.300 58.172 2.128 1
1 1181 . 12 1 1 A 104 104 SER CB C 104 63.300 64.276 -0.976 1
1 1182 . 12 1 1 A 104 104 SER N N 104 116.100 118.601 -2.501 1
1 1183 . 12 1 1 A 105 105 TYR H H 105 8.790 8.971 -0.181 1
1 1184 . 12 1 1 A 105 105 TYR HA H 105 4.750 5.531 -0.781 1
1 1191 . 12 1 1 A 105 105 TYR CA C 105 57.100 56.981 0.119 1
1 1192 . 12 1 1 A 105 105 TYR CB C 105 37.700 40.250 -2.550 1
1 1195 . 12 1 1 A 105 105 TYR N N 105 122.700 125.642 -2.942 1
1 1196 . 12 1 1 A 106 106 LEU H H 106 8.750 9.190 -0.440 1
1 1197 . 12 1 1 A 106 106 LEU HA H 106 5.290 5.283 0.007 1
1 1207 . 12 1 1 A 106 106 LEU CA C 106 56.000 53.444 2.556 1
1 1208 . 12 1 1 A 106 106 LEU CB C 106 43.400 43.009 0.391 1
1 1212 . 12 1 1 A 106 106 LEU N N 106 125.200 123.775 1.425 1
1 1213 . 12 1 1 A 107 107 ILE H H 107 9.480 9.592 -0.112 1
1 1214 . 12 1 1 A 107 107 ILE HA H 107 4.630 5.070 -0.440 1
1 1224 . 12 1 1 A 107 107 ILE CA C 107 59.700 60.079 -0.379 1
1 1225 . 12 1 1 A 107 107 ILE CB C 107 40.500 39.462 1.038 1
1 1229 . 12 1 1 A 107 107 ILE N N 107 123.800 125.185 -1.385 1
1 1230 . 12 1 1 A 108 108 ILE H H 108 7.820 9.150 -1.330 1
1 1231 . 12 1 1 A 108 108 ILE HA H 108 4.950 5.111 -0.161 1
1 1241 . 12 1 1 A 108 108 ILE CA C 108 58.600 60.066 -1.466 1
1 1242 . 12 1 1 A 108 108 ILE CB C 108 41.700 40.170 1.530 1
1 1246 . 12 1 1 A 108 108 ILE N N 108 125.200 129.803 -4.603 1
1 1247 . 12 1 1 A 109 109 SER H H 109 9.780 9.010 0.770 1
1 1248 . 12 1 1 A 109 109 SER HA H 109 5.430 4.824 0.606 1
1 1251 . 12 1 1 A 109 109 SER CA C 109 56.400 56.243 0.157 1
1 1252 . 12 1 1 A 109 109 SER CB C 109 64.900 64.359 0.541 1
1 1253 . 12 1 1 A 109 109 SER N N 109 120.300 121.691 -1.391 1
1 1254 . 12 1 1 A 110 110 LEU H H 110 8.110 9.008 -0.898 1
1 1255 . 12 1 1 A 110 110 LEU HA H 110 4.630 4.579 0.051 1
1 1265 . 12 1 1 A 110 110 LEU CA C 110 53.300 54.534 -1.234 1
1 1266 . 12 1 1 A 110 110 LEU CB C 110 41.100 41.590 -0.490 1
1 1270 . 12 1 1 A 110 110 LEU N N 110 130.700 129.923 0.777 1
1 1271 . 12 1 1 A 111 111 ALA H H 111 7.390 7.781 -0.391 1
1 1272 . 12 1 1 A 111 111 ALA HA H 111 3.920 4.186 -0.266 1
1 1276 . 12 1 1 A 111 111 ALA CA C 111 55.200 54.150 1.050 1
1 1277 . 12 1 1 A 111 111 ALA CB C 111 17.900 18.967 -1.067 1
1 1278 . 12 1 1 A 111 111 ALA N N 111 121.000 122.670 -1.670 1
1 1279 . 12 1 1 A 112 112 GLU H H 112 8.290 7.831 0.459 1
1 1280 . 12 1 1 A 112 112 GLU HA H 112 4.830 4.862 -0.032 1
1 1285 . 12 1 1 A 112 112 GLU CA C 112 52.600 52.703 -0.103 1
1 1286 . 12 1 1 A 112 112 GLU CB C 112 29.300 32.975 -3.675 1
1 1288 . 12 1 1 A 112 112 GLU N N 112 116.400 116.238 0.162 1
1 1289 . 12 1 1 A 113 113 PRO HA H 113 3.940 4.503 -0.563 1
1 1296 . 12 1 1 A 113 113 PRO CA C 113 65.600 63.776 1.824 1
1 1297 . 12 1 1 A 113 113 PRO CB C 113 31.900 32.524 -0.624 1
1 1300 . 12 1 1 A 114 114 GLN H H 114 8.610 8.663 -0.053 1
1 1301 . 12 1 1 A 114 114 GLN HA H 114 4.250 4.140 0.110 1
1 1308 . 12 1 1 A 114 114 GLN CA C 114 56.100 57.661 -1.561 1
1 1309 . 12 1 1 A 114 114 GLN CB C 114 28.300 29.546 -1.246 1
1 1311 . 12 1 1 A 114 114 GLN N N 114 113.500 116.770 -3.270 1
1 1313 . 12 1 1 A 115 115 LYS H H 115 8.040 7.775 0.265 1
1 1314 . 12 1 1 A 115 115 LYS HA H 115 4.620 4.739 -0.119 1
1 1323 . 12 1 1 A 115 115 LYS CA C 115 53.500 53.708 -0.208 1
1 1324 . 12 1 1 A 115 115 LYS CB C 115 33.400 33.402 -0.002 1
1 1328 . 12 1 1 A 115 115 LYS N N 115 121.000 119.550 1.450 1
1 1329 . 12 1 1 A 116 116 PRO HA H 116 4.560 4.671 -0.111 1
1 1336 . 12 1 1 A 116 116 PRO CA C 116 62.900 62.663 0.237 1
1 1337 . 12 1 1 A 116 116 PRO CB C 116 32.500 32.230 0.270 1
1 1340 . 12 1 1 A 117 117 VAL H H 117 7.850 8.510 -0.660 1
1 1341 . 12 1 1 A 117 117 VAL HA H 117 4.360 4.294 0.066 1
1 1349 . 12 1 1 A 117 117 VAL CA C 117 61.200 61.851 -0.651 1
1 1350 . 12 1 1 A 117 117 VAL CB C 117 35.900 31.726 4.174 1
1 1353 . 12 1 1 A 117 117 VAL N N 117 120.600 123.285 -2.685 1
1 1354 . 12 1 1 A 118 118 CYS H H 118 8.820 9.092 -0.272 1
1 1355 . 12 1 1 A 118 118 CYS HA H 118 5.340 5.177 0.163 1
1 1358 . 12 1 1 A 118 118 CYS CA C 118 56.400 56.776 -0.376 1
1 1359 . 12 1 1 A 118 118 CYS CB C 118 28.700 30.141 -1.441 1
1 1360 . 12 1 1 A 118 118 CYS N N 118 127.100 127.976 -0.876 1
1 1361 . 12 1 1 A 119 119 LYS H H 119 8.530 8.918 -0.388 1
1 1362 . 12 1 1 A 119 119 LYS HA H 119 4.590 4.748 -0.158 1
1 1371 . 12 1 1 A 119 119 LYS CA C 119 54.900 54.608 0.292 1
1 1372 . 12 1 1 A 119 119 LYS CB C 119 39.600 36.510 3.090 1
1 1376 . 12 1 1 A 119 119 LYS N N 119 126.400 128.051 -1.651 1
1 1377 . 12 1 1 A 120 120 SER H H 120 8.220 8.261 -0.041 1
1 1378 . 12 1 1 A 120 120 SER HA H 120 4.870 5.541 -0.671 1
1 1381 . 12 1 1 A 120 120 SER CA C 120 56.300 56.344 -0.044 1
1 1382 . 12 1 1 A 120 120 SER CB C 120 63.300 65.191 -1.891 1
1 1383 . 12 1 1 A 120 120 SER N N 120 114.500 116.660 -2.160 1
1 1384 . 12 1 1 A 121 121 PHE H H 121 8.450 9.562 -1.112 1
1 1385 . 12 1 1 A 121 121 PHE HA H 121 5.160 5.352 -0.192 1
1 1393 . 12 1 1 A 121 121 PHE CA C 121 57.200 56.157 1.043 1
1 1394 . 12 1 1 A 121 121 PHE CB C 121 42.700 42.572 0.128 1
1 1398 . 12 1 1 A 121 121 PHE N N 121 124.400 124.001 0.399 1
1 1399 . 12 1 1 A 122 122 LEU H H 122 9.070 9.588 -0.518 1
1 1400 . 12 1 1 A 122 122 LEU HA H 122 5.270 4.979 0.291 1
1 1410 . 12 1 1 A 122 122 LEU CA C 122 53.300 54.175 -0.875 1
1 1411 . 12 1 1 A 122 122 LEU CB C 122 42.200 41.556 0.644 1
1 1415 . 12 1 1 A 122 122 LEU N N 122 120.900 124.173 -3.273 1
1 1416 . 12 1 1 A 123 123 ILE H H 123 9.730 9.320 0.410 1
1 1417 . 12 1 1 A 123 123 ILE HA H 123 4.290 4.634 -0.344 1
1 1427 . 12 1 1 A 123 123 ILE CA C 123 61.400 60.380 1.020 1
1 1428 . 12 1 1 A 123 123 ILE CB C 123 38.000 37.792 0.208 1
1 1432 . 12 1 1 A 123 123 ILE N N 123 125.900 125.697 0.203 1
1 1433 . 12 1 1 A 124 124 LYS H H 124 8.080 8.785 -0.705 1
1 1434 . 12 1 1 A 124 124 LYS HA H 124 4.720 4.708 0.012 1
1 1443 . 12 1 1 A 124 124 LYS CA C 124 54.100 54.453 -0.353 1
1 1444 . 12 1 1 A 124 124 LYS CB C 124 34.700 34.740 -0.040 1
1 1448 . 12 1 1 A 124 124 LYS N N 124 124.600 128.093 -3.493 1
1 1449 . 12 1 1 A 125 125 LYS H H 125 8.830 8.925 -0.095 1
1 1450 . 12 1 1 A 125 125 LYS HA H 125 4.000 4.030 -0.030 1
1 1459 . 12 1 1 A 125 125 LYS CA C 125 59.000 59.121 -0.121 1
1 1460 . 12 1 1 A 125 125 LYS CB C 125 31.700 32.798 -1.098 1
1 1464 . 12 1 1 A 125 125 LYS N N 125 120.900 123.443 -2.543 1
1 1465 . 12 1 1 A 126 126 ASP H H 126 8.160 8.042 0.118 1
1 1466 . 12 1 1 A 126 126 ASP HA H 126 4.650 4.660 -0.010 1
1 1469 . 12 1 1 A 126 126 ASP CA C 126 53.100 54.144 -1.044 1
1 1470 . 12 1 1 A 126 126 ASP CB C 126 40.300 41.085 -0.785 1
1 1471 . 12 1 1 A 126 126 ASP N N 126 113.200 117.573 -4.373 1
1 1472 . 12 1 1 A 127 127 GLY H H 127 7.370 7.392 -0.022 1
1 1473 . 12 1 1 A 127 127 GLY HA2 H 127 4.300 4.055 0.245 1
1 1474 . 12 1 1 A 127 127 GLY HA3 H 127 3.900 4.065 -0.165 1
1 1475 . 12 1 1 A 127 127 GLY CA C 127 45.200 45.698 -0.498 1
1 1476 . 12 1 1 A 127 127 GLY N N 127 107.600 106.277 1.323 1
1 1477 . 12 1 1 A 128 128 VAL H H 128 8.130 8.446 -0.316 1
1 1478 . 12 1 1 A 128 128 VAL HA H 128 4.900 5.442 -0.542 1
1 1486 . 12 1 1 A 128 128 VAL CA C 128 60.900 58.998 1.902 1
1 1487 . 12 1 1 A 128 128 VAL CB C 128 34.000 35.733 -1.733 1
1 1490 . 12 1 1 A 128 128 VAL N N 128 118.900 119.034 -0.134 1
1 1491 . 12 1 1 A 129 129 ASP H H 129 9.250 9.089 0.161 1
1 1492 . 12 1 1 A 129 129 ASP HA H 129 5.220 5.358 -0.138 1
1 1495 . 12 1 1 A 129 129 ASP CA C 129 52.300 52.893 -0.593 1
1 1496 . 12 1 1 A 129 129 ASP CB C 129 43.600 44.610 -1.010 1
1 1497 . 12 1 1 A 129 129 ASP N N 129 126.500 128.054 -1.554 1
1 1498 . 12 1 1 A 130 130 GLU H H 130 8.900 8.688 0.212 1
1 1499 . 12 1 1 A 130 130 GLU HA H 130 4.420 4.864 -0.444 1
1 1504 . 12 1 1 A 130 130 GLU CA C 130 56.400 55.330 1.070 1
1 1505 . 12 1 1 A 130 130 GLU CB C 130 29.800 31.360 -1.560 1
1 1507 . 12 1 1 A 130 130 GLU N N 130 124.000 124.817 -0.817 1
1 1508 . 12 1 1 A 131 131 GLU H H 131 8.860 9.048 -0.188 1
1 1509 . 12 1 1 A 131 131 GLU HA H 131 4.430 5.005 -0.575 1
1 1514 . 12 1 1 A 131 131 GLU CA C 131 53.500 54.524 -1.024 1
1 1515 . 12 1 1 A 131 131 GLU CB C 131 32.500 33.306 -0.806 1
1 1517 . 12 1 1 A 131 131 GLU N N 131 129.200 123.287 5.913 1
1 1518 . 12 1 1 A 132 132 GLU H H 132 8.610 8.640 -0.030 1
1 1519 . 12 1 1 A 132 132 GLU HA H 132 4.050 4.765 -0.715 1
1 1524 . 12 1 1 A 132 132 GLU CA C 132 57.100 55.525 1.575 1
1 1525 . 12 1 1 A 132 132 GLU CB C 132 30.100 31.163 -1.063 1
1 1527 . 12 1 1 A 132 132 GLU N N 132 126.400 126.229 0.171 1
1 1528 . 12 1 1 A 133 133 ILE H H 133 8.200 8.725 -0.525 1
1 1529 . 12 1 1 A 133 133 ILE HA H 133 4.740 4.788 -0.048 1
1 1539 . 12 1 1 A 133 133 ILE CA C 133 60.000 59.722 0.278 1
1 1540 . 12 1 1 A 133 133 ILE CB C 133 39.300 39.615 -0.315 1
1 1544 . 12 1 1 A 133 133 ILE N N 133 124.500 125.883 -1.383 1
1 1545 . 12 1 1 A 134 134 ILE H H 134 9.000 9.422 -0.422 1
1 1546 . 12 1 1 A 134 134 ILE HA H 134 4.190 4.828 -0.638 1
1 1556 . 12 1 1 A 134 134 ILE CA C 134 59.000 59.692 -0.692 1
1 1557 . 12 1 1 A 134 134 ILE CB C 134 38.300 39.467 -1.167 1
1 1561 . 12 1 1 A 134 134 ILE N N 134 130.900 127.316 3.584 1
1 1562 . 12 1 1 A 135 135 LEU H H 135 8.360 9.068 -0.708 1
1 1563 . 12 1 1 A 135 135 LEU HA H 135 5.190 5.415 -0.225 1
1 1573 . 12 1 1 A 135 135 LEU CA C 135 52.700 53.716 -1.016 1
1 1574 . 12 1 1 A 135 135 LEU CB C 135 42.800 42.975 -0.175 1
1 1578 . 12 1 1 A 135 135 LEU N N 135 127.100 128.028 -0.928 1
1 1579 . 12 1 1 A 136 136 LYS H H 136 8.790 9.068 -0.278 1
1 1580 . 12 1 1 A 136 136 LYS HA H 136 4.330 4.714 -0.384 1
1 1589 . 12 1 1 A 136 136 LYS CA C 136 55.600 54.481 1.119 1
1 1590 . 12 1 1 A 136 136 LYS CB C 136 34.600 35.129 -0.529 1
1 1594 . 12 1 1 A 136 136 LYS N N 136 125.100 124.719 0.381 1
1 1595 . 12 1 1 A 137 137 GLU H H 137 8.850 8.945 -0.095 1
1 1596 . 12 1 1 A 137 137 GLU HA H 137 4.240 4.346 -0.106 1
1 1601 . 12 1 1 A 137 137 GLU CA C 137 57.600 57.306 0.294 1
1 1602 . 12 1 1 A 137 137 GLU CB C 137 29.900 31.067 -1.167 1
1 1604 . 12 1 1 A 137 137 GLU N N 137 121.100 122.025 -0.925 1
1 1605 . 12 1 1 A 138 138 GLU H H 138 8.150 7.627 0.523 1
1 1606 . 12 1 1 A 138 138 GLU HA H 138 4.370 4.534 -0.164 1
1 1611 . 12 1 1 A 138 138 GLU CA C 138 55.800 55.840 -0.040 1
1 1612 . 12 1 1 A 138 138 GLU CB C 138 30.700 31.217 -0.517 1
1 1614 . 12 1 1 A 138 138 GLU N N 138 119.300 116.618 2.682 1
1 1615 . 12 1 1 A 139 139 LEU H H 139 8.240 8.325 -0.085 1
1 1616 . 12 1 1 A 139 139 LEU HA H 139 4.180 4.516 -0.336 1
1 1626 . 12 1 1 A 139 139 LEU CA C 139 55.400 54.279 1.121 1
1 1627 . 12 1 1 A 139 139 LEU CB C 139 42.300 42.338 -0.038 1
1 1631 . 12 1 1 A 139 139 LEU N N 139 122.800 122.557 0.243 1
1 1632 . 12 1 1 A 140 140 GLU H H 140 8.250 8.295 -0.045 1
1 1633 . 12 1 1 A 140 140 GLU HA H 140 4.150 4.373 -0.223 1
1 1638 . 12 1 1 A 140 140 GLU CA C 140 56.400 55.693 0.707 1
1 1639 . 12 1 1 A 140 140 GLU CB C 140 29.900 28.211 1.689 1
1 1641 . 12 1 1 A 140 140 GLU N N 140 120.700 121.653 -0.953 1
1 1642 . 12 1 1 A 141 141 HIS H H 141 8.400 8.325 0.075 1
1 13 . 13 1 1 A 2 2 ILE H H 2 8.780 8.168 0.612 1
1 14 . 13 1 1 A 2 2 ILE HA H 2 5.060 4.943 0.117 1
1 24 . 13 1 1 A 2 2 ILE CA C 2 58.500 59.134 -0.634 1
1 25 . 13 1 1 A 2 2 ILE CB C 2 41.300 40.645 0.655 1
1 29 . 13 1 1 A 2 2 ILE N N 2 124.600 120.647 3.953 1
1 30 . 13 1 1 A 3 3 THR H H 3 8.280 8.653 -0.373 1
1 31 . 13 1 1 A 3 3 THR HA H 3 5.350 5.138 0.212 1
1 36 . 13 1 1 A 3 3 THR CA C 3 60.900 62.170 -1.270 1
1 37 . 13 1 1 A 3 3 THR CB C 3 69.900 70.114 -0.214 1
1 39 . 13 1 1 A 3 3 THR N N 3 123.200 124.702 -1.502 1
1 40 . 13 1 1 A 4 4 LEU H H 4 8.710 9.018 -0.308 1
1 41 . 13 1 1 A 4 4 LEU HA H 4 5.040 5.041 -0.001 1
1 51 . 13 1 1 A 4 4 LEU CA C 4 53.800 53.503 0.297 1
1 52 . 13 1 1 A 4 4 LEU CB C 4 45.800 45.575 0.225 1
1 56 . 13 1 1 A 4 4 LEU N N 4 127.600 122.694 4.906 1
1 57 . 13 1 1 A 5 5 THR H H 5 8.440 8.262 0.178 1
1 58 . 13 1 1 A 5 5 THR HA H 5 5.040 5.155 -0.115 1
1 63 . 13 1 1 A 5 5 THR CA C 5 59.300 60.116 -0.816 1
1 64 . 13 1 1 A 5 5 THR CB C 5 71.000 71.658 -0.658 1
1 66 . 13 1 1 A 5 5 THR N N 5 109.500 111.638 -2.138 1
1 67 . 13 1 1 A 6 6 LYS H H 6 8.730 9.287 -0.557 1
1 68 . 13 1 1 A 6 6 LYS HA H 6 3.810 4.007 -0.197 1
1 77 . 13 1 1 A 6 6 LYS CA C 6 60.000 59.977 0.023 1
1 78 . 13 1 1 A 6 6 LYS CB C 6 32.000 32.029 -0.029 1
1 82 . 13 1 1 A 6 6 LYS N N 6 121.500 121.572 -0.072 1
1 83 . 13 1 1 A 7 7 LYS H H 7 8.290 8.022 0.268 1
1 84 . 13 1 1 A 7 7 LYS HA H 7 3.990 3.933 0.057 1
1 93 . 13 1 1 A 7 7 LYS CA C 7 59.200 59.710 -0.510 1
1 94 . 13 1 1 A 7 7 LYS CB C 7 32.400 32.388 0.012 1
1 98 . 13 1 1 A 7 7 LYS N N 7 118.800 120.410 -1.610 1
1 99 . 13 1 1 A 8 8 GLN H H 8 7.650 8.049 -0.399 1
1 100 . 13 1 1 A 8 8 GLN HA H 8 3.890 3.948 -0.058 1
1 107 . 13 1 1 A 8 8 GLN CA C 8 58.100 59.212 -1.112 1
1 108 . 13 1 1 A 8 8 GLN CB C 8 27.400 29.090 -1.690 1
1 110 . 13 1 1 A 8 8 GLN N N 8 119.800 118.091 1.709 1
1 112 . 13 1 1 A 9 9 MET H H 9 8.130 8.002 0.128 1
1 113 . 13 1 1 A 9 9 MET HA H 9 4.130 3.955 0.175 1
1 121 . 13 1 1 A 9 9 MET CA C 9 57.500 58.275 -0.775 1
1 122 . 13 1 1 A 9 9 MET CB C 9 30.900 31.814 -0.914 1
1 125 . 13 1 1 A 9 9 MET N N 9 118.300 119.669 -1.369 1
1 126 . 13 1 1 A 10 10 GLU H H 10 8.460 8.466 -0.006 1
1 127 . 13 1 1 A 10 10 GLU HA H 10 3.890 3.951 -0.061 1
1 132 . 13 1 1 A 10 10 GLU CA C 10 59.100 59.540 -0.440 1
1 133 . 13 1 1 A 10 10 GLU CB C 10 28.500 29.186 -0.686 1
1 135 . 13 1 1 A 10 10 GLU N N 10 118.500 118.345 0.155 1
1 136 . 13 1 1 A 11 11 GLU H H 11 8.200 8.388 -0.188 1
1 137 . 13 1 1 A 11 11 GLU HA H 11 4.070 4.017 0.053 1
1 142 . 13 1 1 A 11 11 GLU CA C 11 59.200 59.282 -0.082 1
1 143 . 13 1 1 A 11 11 GLU CB C 11 28.900 29.157 -0.257 1
1 145 . 13 1 1 A 11 11 GLU N N 11 120.800 120.630 0.170 1
1 146 . 13 1 1 A 12 12 MET H H 12 7.780 8.052 -0.272 1
1 147 . 13 1 1 A 12 12 MET HA H 12 3.390 3.981 -0.591 1
1 155 . 13 1 1 A 12 12 MET CA C 12 60.600 58.306 2.294 1
1 156 . 13 1 1 A 12 12 MET CB C 12 33.900 33.004 0.896 1
1 159 . 13 1 1 A 12 12 MET N N 12 119.300 118.933 0.367 1
1 160 . 13 1 1 A 13 13 LEU H H 13 8.340 8.735 -0.395 1
1 161 . 13 1 1 A 13 13 LEU HA H 13 3.770 3.935 -0.165 1
1 171 . 13 1 1 A 13 13 LEU CA C 13 58.000 57.910 0.090 1
1 172 . 13 1 1 A 13 13 LEU CB C 13 41.400 41.528 -0.128 1
1 176 . 13 1 1 A 13 13 LEU N N 13 118.600 119.604 -1.004 1
1 177 . 13 1 1 A 14 14 ALA H H 14 8.620 8.745 -0.125 1
1 178 . 13 1 1 A 14 14 ALA HA H 14 4.100 4.081 0.019 1
1 182 . 13 1 1 A 14 14 ALA CA C 14 55.200 55.035 0.165 1
1 183 . 13 1 1 A 14 14 ALA CB C 14 17.800 18.282 -0.482 1
1 184 . 13 1 1 A 14 14 ALA N N 14 121.500 120.450 1.050 1
1 185 . 13 1 1 A 15 15 HIS H H 15 7.780 7.589 0.191 1
1 186 . 13 1 1 A 15 15 HIS HA H 15 4.460 4.274 0.186 1
1 190 . 13 1 1 A 15 15 HIS CA C 15 59.000 59.898 -0.898 1
1 191 . 13 1 1 A 15 15 HIS CB C 15 29.300 29.645 -0.345 1
1 193 . 13 1 1 A 15 15 HIS N N 15 116.700 117.927 -1.227 1
1 194 . 13 1 1 A 16 16 ALA H H 16 8.390 8.701 -0.311 1
1 195 . 13 1 1 A 16 16 ALA HA H 16 4.100 3.987 0.113 1
1 199 . 13 1 1 A 16 16 ALA CA C 16 54.500 55.462 -0.962 1
1 200 . 13 1 1 A 16 16 ALA CB C 16 18.200 18.418 -0.218 1
1 201 . 13 1 1 A 16 16 ALA N N 16 120.000 121.221 -1.221 1
1 202 . 13 1 1 A 17 17 ARG H H 17 8.820 8.225 0.595 1
1 203 . 13 1 1 A 17 17 ARG HA H 17 3.890 4.049 -0.159 1
1 210 . 13 1 1 A 17 17 ARG CA C 17 59.900 58.886 1.014 1
1 211 . 13 1 1 A 17 17 ARG CB C 17 30.100 29.995 0.105 1
1 214 . 13 1 1 A 17 17 ARG N N 17 118.900 117.152 1.748 1
1 215 . 13 1 1 A 18 18 GLN H H 18 8.130 7.795 0.335 1
1 216 . 13 1 1 A 18 18 GLN HA H 18 4.060 4.070 -0.010 1
1 223 . 13 1 1 A 18 18 GLN CA C 18 57.900 58.763 -0.863 1
1 224 . 13 1 1 A 18 18 GLN CB C 18 28.000 28.711 -0.711 1
1 226 . 13 1 1 A 18 18 GLN N N 18 118.100 119.330 -1.230 1
1 228 . 13 1 1 A 19 19 ALA H H 19 7.090 7.472 -0.382 1
1 229 . 13 1 1 A 19 19 ALA HA H 19 4.220 4.292 -0.072 1
1 233 . 13 1 1 A 19 19 ALA CA C 19 52.300 51.973 0.327 1
1 234 . 13 1 1 A 19 19 ALA CB C 19 20.600 19.286 1.314 1
1 235 . 13 1 1 A 19 19 ALA N N 19 117.600 119.506 -1.906 1
1 236 . 13 1 1 A 20 20 LEU H H 20 7.020 7.426 -0.406 1
1 237 . 13 1 1 A 20 20 LEU HA H 20 4.110 4.398 -0.288 1
1 247 . 13 1 1 A 20 20 LEU CA C 20 54.600 53.809 0.791 1
1 248 . 13 1 1 A 20 20 LEU CB C 20 40.400 41.284 -0.884 1
1 252 . 13 1 1 A 20 20 LEU N N 20 117.900 122.559 -4.659 1
1 253 . 13 1 1 A 21 21 PRO HA H 21 4.320 4.630 -0.310 1
1 260 . 13 1 1 A 21 21 PRO CA C 21 63.700 63.792 -0.092 1
1 261 . 13 1 1 A 21 21 PRO CB C 21 35.000 32.589 2.411 1
1 264 . 13 1 1 A 22 22 ASN H H 22 8.690 8.133 0.557 1
1 265 . 13 1 1 A 22 22 ASN HA H 22 4.570 4.840 -0.270 1
1 270 . 13 1 1 A 22 22 ASN CA C 22 52.400 53.720 -1.320 1
1 271 . 13 1 1 A 22 22 ASN CB C 22 40.000 39.113 0.887 1
1 272 . 13 1 1 A 22 22 ASN N N 22 122.000 121.009 0.991 1
1 274 . 13 1 1 A 23 23 GLU H H 23 8.540 8.497 0.043 1
1 275 . 13 1 1 A 23 23 GLU HA H 23 4.050 4.372 -0.322 1
1 280 . 13 1 1 A 23 23 GLU CA C 23 57.300 56.528 0.772 1
1 281 . 13 1 1 A 23 23 GLU CB C 23 29.000 29.801 -0.801 1
1 283 . 13 1 1 A 23 23 GLU N N 23 116.100 122.428 -6.328 1
1 284 . 13 1 1 A 24 24 ALA H H 24 8.390 7.959 0.431 1
1 285 . 13 1 1 A 24 24 ALA HA H 24 5.040 4.643 0.397 1
1 289 . 13 1 1 A 24 24 ALA CA C 24 48.900 52.098 -3.198 1
1 290 . 13 1 1 A 24 24 ALA CB C 24 23.200 19.759 3.441 1
1 291 . 13 1 1 A 24 24 ALA N N 24 124.800 128.157 -3.357 1
1 292 . 13 1 1 A 25 25 CYS H H 25 8.910 8.696 0.214 1
1 293 . 13 1 1 A 25 25 CYS HA H 25 5.000 5.299 -0.299 1
1 296 . 13 1 1 A 25 25 CYS CA C 25 55.000 57.769 -2.769 1
1 297 . 13 1 1 A 25 25 CYS CB C 25 32.600 33.176 -0.576 1
1 298 . 13 1 1 A 25 25 CYS N N 25 111.700 119.482 -7.782 1
1 299 . 13 1 1 A 26 26 GLY H H 26 7.110 7.247 -0.137 1
1 300 . 13 1 1 A 26 26 GLY HA2 H 26 3.820 3.942 -0.122 1
1 301 . 13 1 1 A 26 26 GLY HA3 H 26 4.070 4.107 -0.037 1
1 302 . 13 1 1 A 26 26 GLY CA C 26 46.500 45.828 0.672 1
1 303 . 13 1 1 A 26 26 GLY N N 26 103.200 108.683 -5.483 1
1 304 . 13 1 1 A 27 27 LEU H H 27 8.830 9.113 -0.283 1
1 305 . 13 1 1 A 27 27 LEU HA H 27 5.200 5.252 -0.052 1
1 315 . 13 1 1 A 27 27 LEU CA C 27 53.200 53.401 -0.201 1
1 316 . 13 1 1 A 27 27 LEU CB C 27 46.600 45.589 1.011 1
1 320 . 13 1 1 A 27 27 LEU N N 27 116.700 121.713 -5.013 1
1 321 . 13 1 1 A 28 28 LEU H H 28 8.060 8.900 -0.840 1
1 322 . 13 1 1 A 28 28 LEU HA H 28 5.200 5.258 -0.058 1
1 332 . 13 1 1 A 28 28 LEU CA C 28 53.400 52.848 0.552 1
1 333 . 13 1 1 A 28 28 LEU CB C 28 44.900 44.789 0.111 1
1 337 . 13 1 1 A 28 28 LEU N N 28 118.200 121.899 -3.699 1
1 338 . 13 1 1 A 29 29 GLY H H 29 9.210 9.352 -0.142 1
1 339 . 13 1 1 A 29 29 GLY HA2 H 29 3.750 4.253 -0.503 1
1 340 . 13 1 1 A 29 29 GLY HA3 H 29 5.800 4.296 1.504 1
1 341 . 13 1 1 A 29 29 GLY CA C 29 43.600 44.435 -0.835 1
1 342 . 13 1 1 A 29 29 GLY N N 29 109.500 112.096 -2.596 1
1 343 . 13 1 1 A 30 30 GLY H H 30 9.520 8.689 0.831 1
1 344 . 13 1 1 A 30 30 GLY HA2 H 30 3.210 3.639 -0.429 1
1 345 . 13 1 1 A 30 30 GLY HA3 H 30 4.800 4.118 0.682 1
1 346 . 13 1 1 A 30 30 GLY CA C 30 47.500 45.697 1.803 1
1 347 . 13 1 1 A 30 30 GLY N N 30 111.700 108.775 2.925 1
1 348 . 13 1 1 A 31 31 ARG H H 31 8.900 8.688 0.212 1
1 349 . 13 1 1 A 31 31 ARG HA H 31 5.170 5.161 0.009 1
1 356 . 13 1 1 A 31 31 ARG CA C 31 54.200 54.710 -0.510 1
1 357 . 13 1 1 A 31 31 ARG CB C 31 34.200 33.899 0.301 1
1 360 . 13 1 1 A 31 31 ARG N N 31 123.000 122.965 0.035 1
1 361 . 13 1 1 A 32 32 ARG H H 32 9.070 9.181 -0.111 1
1 362 . 13 1 1 A 32 32 ARG HA H 32 5.140 5.129 0.011 1
1 369 . 13 1 1 A 32 32 ARG CA C 32 54.700 54.678 0.022 1
1 370 . 13 1 1 A 32 32 ARG CB C 32 33.700 33.529 0.171 1
1 373 . 13 1 1 A 32 32 ARG N N 32 121.500 120.819 0.681 1
1 374 . 13 1 1 A 33 33 ASP H H 33 8.640 9.091 -0.451 1
1 375 . 13 1 1 A 33 33 ASP HA H 33 4.850 4.870 -0.020 1
1 378 . 13 1 1 A 33 33 ASP CA C 33 53.400 53.929 -0.529 1
1 379 . 13 1 1 A 33 33 ASP CB C 33 42.100 41.803 0.297 1
1 380 . 13 1 1 A 33 33 ASP N N 33 124.200 122.457 1.743 1
1 381 . 13 1 1 A 34 34 GLY H H 34 9.020 7.972 1.048 1
1 382 . 13 1 1 A 34 34 GLY HA2 H 34 3.670 4.010 -0.340 1
1 383 . 13 1 1 A 34 34 GLY HA3 H 34 4.000 4.022 -0.022 1
1 384 . 13 1 1 A 34 34 GLY CA C 34 47.200 45.373 1.827 1
1 385 . 13 1 1 A 34 34 GLY N N 34 115.900 107.179 8.721 1
1 386 . 13 1 1 A 35 35 ASP H H 35 9.070 8.132 0.938 1
1 387 . 13 1 1 A 35 35 ASP HA H 35 4.650 4.530 0.120 1
1 390 . 13 1 1 A 35 35 ASP CA C 35 54.800 55.729 -0.929 1
1 391 . 13 1 1 A 35 35 ASP CB C 35 41.000 42.413 -1.413 1
1 392 . 13 1 1 A 35 35 ASP N N 35 127.300 121.743 5.557 1
1 393 . 13 1 1 A 36 36 ASP H H 36 8.070 7.936 0.134 1
1 394 . 13 1 1 A 36 36 ASP HA H 36 4.950 4.844 0.106 1
1 397 . 13 1 1 A 36 36 ASP CA C 36 53.700 52.422 1.278 1
1 398 . 13 1 1 A 36 36 ASP CB C 36 41.700 43.926 -2.226 1
1 399 . 13 1 1 A 36 36 ASP N N 36 120.600 117.445 3.155 1
1 400 . 13 1 1 A 37 37 ARG H H 37 8.070 8.511 -0.441 1
1 401 . 13 1 1 A 37 37 ARG HA H 37 4.850 4.728 0.122 1
1 408 . 13 1 1 A 37 37 ARG CA C 37 55.400 53.918 1.482 1
1 409 . 13 1 1 A 37 37 ARG CB C 37 32.900 33.721 -0.821 1
1 412 . 13 1 1 A 37 37 ARG N N 37 120.800 119.857 0.943 1
1 413 . 13 1 1 A 38 38 TRP H H 38 9.380 9.675 -0.295 1
1 414 . 13 1 1 A 38 38 TRP HA H 38 4.840 5.420 -0.580 1
1 423 . 13 1 1 A 38 38 TRP CA C 38 57.000 55.362 1.638 1
1 424 . 13 1 1 A 38 38 TRP CB C 38 30.100 31.302 -1.202 1
1 430 . 13 1 1 A 38 38 TRP N N 38 124.900 121.582 3.318 1
1 432 . 13 1 1 A 39 39 VAL H H 39 8.450 9.480 -1.030 1
1 433 . 13 1 1 A 39 39 VAL HA H 39 3.390 4.008 -0.618 1
1 441 . 13 1 1 A 39 39 VAL CA C 39 64.500 63.184 1.316 1
1 442 . 13 1 1 A 39 39 VAL CB C 39 31.500 30.817 0.683 1
1 445 . 13 1 1 A 39 39 VAL N N 39 124.400 125.650 -1.250 1
1 446 . 13 1 1 A 40 40 GLU H H 40 9.080 8.405 0.675 1
1 447 . 13 1 1 A 40 40 GLU HA H 40 4.350 4.577 -0.227 1
1 452 . 13 1 1 A 40 40 GLU CA C 40 54.900 56.156 -1.256 1
1 453 . 13 1 1 A 40 40 GLU CB C 40 29.500 30.719 -1.219 1
1 455 . 13 1 1 A 40 40 GLU N N 40 124.200 126.582 -2.382 1
1 456 . 13 1 1 A 41 41 ARG H H 41 7.610 7.401 0.209 1
1 457 . 13 1 1 A 41 41 ARG HA H 41 4.070 4.655 -0.585 1
1 464 . 13 1 1 A 41 41 ARG CA C 41 56.800 55.116 1.684 1
1 465 . 13 1 1 A 41 41 ARG CB C 41 33.600 33.207 0.393 1
1 468 . 13 1 1 A 41 41 ARG N N 41 120.000 120.438 -0.438 1
1 469 . 13 1 1 A 42 42 VAL H H 42 8.460 8.727 -0.267 1
1 470 . 13 1 1 A 42 42 VAL HA H 42 4.300 4.770 -0.470 1
1 478 . 13 1 1 A 42 42 VAL CA C 42 60.900 61.113 -0.213 1
1 479 . 13 1 1 A 42 42 VAL CB C 42 32.900 33.473 -0.573 1
1 482 . 13 1 1 A 42 42 VAL N N 42 125.600 126.199 -0.599 1
1 483 . 13 1 1 A 43 43 TYR H H 43 9.070 9.104 -0.034 1
1 484 . 13 1 1 A 43 43 TYR HA H 43 4.930 5.159 -0.229 1
1 491 . 13 1 1 A 43 43 TYR CA C 43 54.600 55.094 -0.494 1
1 492 . 13 1 1 A 43 43 TYR CB C 43 38.500 39.038 -0.538 1
1 495 . 13 1 1 A 43 43 TYR N N 43 124.800 126.323 -1.523 1
1 496 . 13 1 1 A 44 44 PRO HA H 44 4.260 4.819 -0.559 1
1 503 . 13 1 1 A 44 44 PRO CA C 44 63.200 62.105 1.095 1
1 504 . 13 1 1 A 44 44 PRO CB C 44 30.100 31.479 -1.379 1
1 507 . 13 1 1 A 45 45 LEU H H 45 8.270 8.392 -0.122 1
1 508 . 13 1 1 A 45 45 LEU HA H 45 4.930 4.680 0.250 1
1 518 . 13 1 1 A 45 45 LEU CA C 45 53.800 53.801 -0.001 1
1 519 . 13 1 1 A 45 45 LEU CB C 45 45.600 42.453 3.147 1
1 523 . 13 1 1 A 45 45 LEU N N 45 125.800 124.004 1.796 1
1 524 . 13 1 1 A 46 46 ASN H H 46 9.120 8.659 0.461 1
1 525 . 13 1 1 A 46 46 ASN HA H 46 4.630 4.958 -0.328 1
1 530 . 13 1 1 A 46 46 ASN CA C 46 56.000 51.875 4.125 1
1 531 . 13 1 1 A 46 46 ASN CB C 46 39.000 40.491 -1.491 1
1 532 . 13 1 1 A 46 46 ASN N N 46 119.000 119.364 -0.364 1
1 534 . 13 1 1 A 47 47 ASN H H 47 8.460 8.626 -0.166 1
1 535 . 13 1 1 A 47 47 ASN HA H 47 5.260 4.814 0.446 1
1 540 . 13 1 1 A 47 47 ASN CA C 47 51.200 52.620 -1.420 1
1 541 . 13 1 1 A 47 47 ASN CB C 47 37.700 38.388 -0.688 1
1 542 . 13 1 1 A 47 47 ASN N N 47 118.500 120.461 -1.961 1
1 544 . 13 1 1 A 48 48 LEU H H 48 8.890 8.620 0.270 1
1 545 . 13 1 1 A 48 48 LEU HA H 48 4.070 4.350 -0.280 1
1 555 . 13 1 1 A 48 48 LEU CA C 48 56.800 55.557 1.243 1
1 556 . 13 1 1 A 48 48 LEU CB C 48 41.600 41.591 0.009 1
1 560 . 13 1 1 A 48 48 LEU N N 48 127.100 128.173 -1.073 1
1 561 . 13 1 1 A 49 49 ASP H H 49 7.820 7.642 0.178 1
1 562 . 13 1 1 A 49 49 ASP HA H 49 4.430 4.666 -0.236 1
1 565 . 13 1 1 A 49 49 ASP CA C 49 54.500 53.128 1.372 1
1 566 . 13 1 1 A 49 49 ASP CB C 49 40.100 42.816 -2.716 1
1 567 . 13 1 1 A 49 49 ASP N N 49 115.700 121.892 -6.192 1
1 568 . 13 1 1 A 50 50 GLN H H 50 7.770 8.675 -0.905 1
1 569 . 13 1 1 A 50 50 GLN HA H 50 3.880 4.500 -0.620 1
1 576 . 13 1 1 A 50 50 GLN CA C 50 56.000 56.192 -0.192 1
1 577 . 13 1 1 A 50 50 GLN CB C 50 27.400 29.340 -1.940 1
1 579 . 13 1 1 A 50 50 GLN N N 50 115.300 120.598 -5.298 1
1 581 . 13 1 1 A 51 51 SER H H 51 6.370 7.743 -1.373 1
1 582 . 13 1 1 A 51 51 SER HA H 51 5.210 4.786 0.424 1
1 585 . 13 1 1 A 51 51 SER CA C 51 53.700 55.301 -1.601 1
1 586 . 13 1 1 A 51 51 SER CB C 51 66.100 64.351 1.749 1
1 587 . 13 1 1 A 51 51 SER N N 51 109.000 115.982 -6.982 1
1 588 . 13 1 1 A 52 52 PRO HA H 52 4.830 4.605 0.225 1
1 595 . 13 1 1 A 52 52 PRO CA C 52 64.000 64.006 -0.006 1
1 596 . 13 1 1 A 52 52 PRO CB C 52 33.300 31.813 1.487 1
1 599 . 13 1 1 A 53 53 GLU H H 53 8.320 8.398 -0.078 1
1 600 . 13 1 1 A 53 53 GLU HA H 53 4.510 4.662 -0.152 1
1 605 . 13 1 1 A 53 53 GLU CA C 53 55.700 56.664 -0.964 1
1 606 . 13 1 1 A 53 53 GLU CB C 53 32.400 30.554 1.846 1
1 608 . 13 1 1 A 53 53 GLU N N 53 113.900 117.011 -3.111 1
1 609 . 13 1 1 A 54 54 HIS H H 54 7.070 7.634 -0.564 1
1 610 . 13 1 1 A 54 54 HIS HA H 54 4.750 5.197 -0.447 1
1 614 . 13 1 1 A 54 54 HIS CA C 54 54.100 54.008 0.092 1
1 615 . 13 1 1 A 54 54 HIS CB C 54 31.100 33.504 -2.404 1
1 617 . 13 1 1 A 54 54 HIS N N 54 112.500 117.971 -5.471 1
1 618 . 13 1 1 A 55 55 PHE H H 55 7.900 8.322 -0.422 1
1 619 . 13 1 1 A 55 55 PHE HA H 55 5.580 5.476 0.104 1
1 627 . 13 1 1 A 55 55 PHE CA C 55 55.400 55.443 -0.043 1
1 628 . 13 1 1 A 55 55 PHE CB C 55 41.200 41.071 0.129 1
1 632 . 13 1 1 A 55 55 PHE N N 55 114.900 118.932 -4.032 1
1 633 . 13 1 1 A 56 56 SER H H 56 7.690 9.019 -1.329 1
1 634 . 13 1 1 A 56 56 SER HA H 56 4.300 5.243 -0.943 1
1 637 . 13 1 1 A 56 56 SER CA C 56 57.800 56.427 1.373 1
1 638 . 13 1 1 A 56 56 SER CB C 56 65.300 64.995 0.305 1
1 639 . 13 1 1 A 56 56 SER N N 56 112.900 121.590 -8.690 1
1 640 . 13 1 1 A 57 57 MET H H 57 8.750 8.934 -0.184 1
1 641 . 13 1 1 A 57 57 MET HA H 57 4.860 5.192 -0.332 1
1 649 . 13 1 1 A 57 57 MET CA C 57 54.400 53.981 0.419 1
1 650 . 13 1 1 A 57 57 MET CB C 57 36.000 35.612 0.388 1
1 653 . 13 1 1 A 57 57 MET N N 57 120.000 124.081 -4.081 1
1 654 . 13 1 1 A 58 58 ASP H H 58 10.180 8.644 1.536 1
1 655 . 13 1 1 A 58 58 ASP HA H 58 4.740 5.006 -0.266 1
1 658 . 13 1 1 A 58 58 ASP CA C 58 51.700 51.218 0.482 1
1 659 . 13 1 1 A 58 58 ASP CB C 58 42.700 42.794 -0.094 1
1 660 . 13 1 1 A 58 58 ASP N N 58 126.600 122.929 3.671 1
1 661 . 13 1 1 A 59 59 PRO HA H 59 4.400 4.452 -0.052 1
1 668 . 13 1 1 A 59 59 PRO CA C 59 65.300 64.582 0.718 1
1 669 . 13 1 1 A 59 59 PRO CB C 59 32.300 32.115 0.185 1
1 672 . 13 1 1 A 60 60 ARG H H 60 8.520 8.424 0.096 1
1 673 . 13 1 1 A 60 60 ARG HA H 60 4.120 4.057 0.063 1
1 680 . 13 1 1 A 60 60 ARG CA C 60 59.200 59.225 -0.025 1
1 681 . 13 1 1 A 60 60 ARG CB C 60 29.500 29.999 -0.499 1
1 684 . 13 1 1 A 60 60 ARG N N 60 118.700 118.547 0.153 1
1 685 . 13 1 1 A 61 61 GLU H H 61 7.730 8.024 -0.294 1
1 686 . 13 1 1 A 61 61 GLU HA H 61 4.190 4.175 0.015 1
1 691 . 13 1 1 A 61 61 GLU CA C 61 59.000 59.067 -0.067 1
1 692 . 13 1 1 A 61 61 GLU CB C 61 30.200 29.337 0.863 1
1 694 . 13 1 1 A 61 61 GLU N N 61 119.800 119.745 0.055 1
1 695 . 13 1 1 A 62 62 GLN H H 62 8.220 7.527 0.693 1
1 696 . 13 1 1 A 62 62 GLN HA H 62 3.830 3.998 -0.168 1
1 703 . 13 1 1 A 62 62 GLN CA C 62 59.900 59.047 0.853 1
1 704 . 13 1 1 A 62 62 GLN CB C 62 29.000 28.383 0.617 1
1 706 . 13 1 1 A 62 62 GLN N N 62 118.700 119.861 -1.161 1
1 708 . 13 1 1 A 63 63 LEU H H 63 7.950 7.926 0.024 1
1 709 . 13 1 1 A 63 63 LEU HA H 63 4.110 4.021 0.089 1
1 719 . 13 1 1 A 63 63 LEU CA C 63 58.000 58.230 -0.230 1
1 720 . 13 1 1 A 63 63 LEU CB C 63 41.400 41.574 -0.174 1
1 724 . 13 1 1 A 63 63 LEU N N 63 119.200 122.109 -2.909 1
1 725 . 13 1 1 A 64 64 THR H H 64 7.910 8.023 -0.113 1
1 726 . 13 1 1 A 64 64 THR HA H 64 3.790 3.819 -0.029 1
1 731 . 13 1 1 A 64 64 THR CA C 64 66.800 66.305 0.495 1
1 732 . 13 1 1 A 64 64 THR CB C 64 68.700 68.694 0.006 1
1 734 . 13 1 1 A 64 64 THR N N 64 116.000 114.694 1.306 1
1 735 . 13 1 1 A 65 65 ALA H H 65 7.520 8.021 -0.501 1
1 736 . 13 1 1 A 65 65 ALA HA H 65 3.970 4.107 -0.137 1
1 740 . 13 1 1 A 65 65 ALA CA C 65 55.100 55.052 0.048 1
1 741 . 13 1 1 A 65 65 ALA CB C 65 17.900 18.179 -0.279 1
1 742 . 13 1 1 A 65 65 ALA N N 65 125.200 123.355 1.845 1
1 743 . 13 1 1 A 66 66 VAL H H 66 8.420 8.277 0.143 1
1 744 . 13 1 1 A 66 66 VAL HA H 66 3.840 3.295 0.545 1
1 752 . 13 1 1 A 66 66 VAL CA C 66 66.200 67.084 -0.884 1
1 753 . 13 1 1 A 66 66 VAL CB C 66 31.700 31.377 0.323 1
1 756 . 13 1 1 A 66 66 VAL N N 66 119.300 118.816 0.484 1
1 757 . 13 1 1 A 67 67 LYS H H 67 8.570 7.971 0.599 1
1 758 . 13 1 1 A 67 67 LYS HA H 67 3.960 3.948 0.012 1
1 767 . 13 1 1 A 67 67 LYS CA C 67 60.300 59.760 0.540 1
1 768 . 13 1 1 A 67 67 LYS CB C 67 32.200 31.936 0.264 1
1 772 . 13 1 1 A 67 67 LYS N N 67 120.600 119.264 1.336 1
1 773 . 13 1 1 A 68 68 ASP H H 68 7.660 7.982 -0.322 1
1 774 . 13 1 1 A 68 68 ASP HA H 68 4.290 4.411 -0.121 1
1 777 . 13 1 1 A 68 68 ASP CA C 68 58.300 57.411 0.889 1
1 778 . 13 1 1 A 68 68 ASP CB C 68 42.700 41.226 1.474 1
1 779 . 13 1 1 A 68 68 ASP N N 68 121.500 119.588 1.912 1
1 780 . 13 1 1 A 69 69 MET H H 69 8.620 8.406 0.214 1
1 781 . 13 1 1 A 69 69 MET HA H 69 4.250 4.354 -0.104 1
1 789 . 13 1 1 A 69 69 MET CA C 69 60.300 58.773 1.527 1
1 790 . 13 1 1 A 69 69 MET CB C 69 32.700 32.706 -0.006 1
1 793 . 13 1 1 A 69 69 MET N N 69 120.100 118.430 1.670 1
1 794 . 13 1 1 A 70 70 ARG H H 70 8.500 8.485 0.015 1
1 795 . 13 1 1 A 70 70 ARG HA H 70 4.110 3.997 0.113 1
1 802 . 13 1 1 A 70 70 ARG CA C 70 59.200 59.586 -0.386 1
1 803 . 13 1 1 A 70 70 ARG CB C 70 29.600 29.669 -0.069 1
1 806 . 13 1 1 A 70 70 ARG N N 70 119.000 120.317 -1.317 1
1 807 . 13 1 1 A 71 71 LYS H H 71 8.020 7.714 0.306 1
1 808 . 13 1 1 A 71 71 LYS HA H 71 3.970 4.090 -0.120 1
1 817 . 13 1 1 A 71 71 LYS CA C 71 58.800 59.107 -0.307 1
1 818 . 13 1 1 A 71 71 LYS CB C 71 32.000 32.054 -0.054 1
1 822 . 13 1 1 A 71 71 LYS N N 71 121.100 118.947 2.153 1
1 823 . 13 1 1 A 72 72 ASN H H 72 6.960 8.004 -1.044 1
1 824 . 13 1 1 A 72 72 ASN HA H 72 4.090 4.672 -0.582 1
1 829 . 13 1 1 A 72 72 ASN CA C 72 53.300 53.071 0.229 1
1 830 . 13 1 1 A 72 72 ASN CB C 72 39.000 38.936 0.064 1
1 831 . 13 1 1 A 72 72 ASN N N 72 114.600 115.739 -1.139 1
1 833 . 13 1 1 A 73 73 GLY H H 73 7.560 7.889 -0.329 1
1 834 . 13 1 1 A 73 73 GLY HA2 H 73 3.890 3.691 0.199 1
1 835 . 13 1 1 A 73 73 GLY HA3 H 73 3.760 3.849 -0.089 1
1 836 . 13 1 1 A 73 73 GLY CA C 73 45.900 44.827 1.073 1
1 837 . 13 1 1 A 73 73 GLY N N 73 106.700 106.364 0.336 1
1 838 . 13 1 1 A 74 74 TRP H H 74 8.240 8.070 0.170 1
1 839 . 13 1 1 A 74 74 TRP HA H 74 5.260 4.869 0.391 1
1 848 . 13 1 1 A 74 74 TRP CA C 74 53.100 56.983 -3.883 1
1 849 . 13 1 1 A 74 74 TRP CB C 74 31.400 33.130 -1.730 1
1 855 . 13 1 1 A 74 74 TRP N N 74 120.700 120.705 -0.005 1
1 857 . 13 1 1 A 75 75 VAL H H 75 9.410 9.287 0.123 1
1 858 . 13 1 1 A 75 75 VAL HA H 75 4.800 4.849 -0.049 1
1 866 . 13 1 1 A 75 75 VAL CA C 75 58.500 59.004 -0.504 1
1 867 . 13 1 1 A 75 75 VAL CB C 75 35.500 36.022 -0.522 1
1 870 . 13 1 1 A 75 75 VAL N N 75 112.100 116.400 -4.300 1
1 871 . 13 1 1 A 76 76 MET H H 76 8.800 8.666 0.134 1
1 872 . 13 1 1 A 76 76 MET HA H 76 4.650 4.662 -0.012 1
1 880 . 13 1 1 A 76 76 MET CA C 76 56.900 54.912 1.988 1
1 881 . 13 1 1 A 76 76 MET CB C 76 32.600 33.632 -1.032 1
1 884 . 13 1 1 A 76 76 MET N N 76 122.400 122.681 -0.281 1
1 885 . 13 1 1 A 77 77 LEU H H 77 8.780 9.668 -0.888 1
1 886 . 13 1 1 A 77 77 LEU HA H 77 4.480 4.787 -0.307 1
1 896 . 13 1 1 A 77 77 LEU CA C 77 54.100 55.042 -0.942 1
1 897 . 13 1 1 A 77 77 LEU CB C 77 44.700 43.448 1.252 1
1 901 . 13 1 1 A 77 77 LEU N N 77 125.600 127.095 -1.495 1
1 902 . 13 1 1 A 78 78 GLY H H 78 7.590 6.998 0.592 1
1 903 . 13 1 1 A 78 78 GLY HA2 H 78 5.150 3.958 1.192 1
1 904 . 13 1 1 A 78 78 GLY HA3 H 78 3.660 3.969 -0.309 1
1 905 . 13 1 1 A 78 78 GLY CA C 78 45.700 45.579 0.121 1
1 906 . 13 1 1 A 78 78 GLY N N 78 102.900 104.531 -1.631 1
1 907 . 13 1 1 A 79 79 ASN H H 79 8.520 8.328 0.192 1
1 908 . 13 1 1 A 79 79 ASN HA H 79 5.230 5.631 -0.401 1
1 913 . 13 1 1 A 79 79 ASN CA C 79 51.100 51.499 -0.399 1
1 914 . 13 1 1 A 79 79 ASN CB C 79 41.500 42.825 -1.325 1
1 915 . 13 1 1 A 79 79 ASN N N 79 115.600 116.638 -1.038 1
1 917 . 13 1 1 A 80 80 PHE H H 80 8.410 8.050 0.360 1
1 918 . 13 1 1 A 80 80 PHE HA H 80 6.120 6.176 -0.056 1
1 926 . 13 1 1 A 80 80 PHE CA C 80 54.500 55.189 -0.689 1
1 927 . 13 1 1 A 80 80 PHE CB C 80 44.800 42.744 2.056 1
1 931 . 13 1 1 A 80 80 PHE N N 80 113.100 116.550 -3.450 1
1 932 . 13 1 1 A 81 81 HIS H H 81 8.310 9.564 -1.254 1
1 933 . 13 1 1 A 81 81 HIS HA H 81 5.300 5.087 0.213 1
1 938 . 13 1 1 A 81 81 HIS CA C 81 54.400 53.747 0.653 1
1 939 . 13 1 1 A 81 81 HIS CB C 81 30.300 32.951 -2.651 1
1 942 . 13 1 1 A 81 81 HIS N N 81 111.600 118.922 -7.322 1
1 943 . 13 1 1 A 82 82 SER H H 82 8.390 8.725 -0.335 1
1 944 . 13 1 1 A 82 82 SER HA H 82 5.510 5.427 0.083 1
1 947 . 13 1 1 A 82 82 SER CA C 82 54.800 55.739 -0.939 1
1 948 . 13 1 1 A 82 82 SER CB C 82 66.700 66.315 0.385 1
1 949 . 13 1 1 A 82 82 SER N N 82 112.700 116.121 -3.421 1
1 950 . 13 1 1 A 83 83 HIS H H 83 8.890 8.517 0.373 1
1 951 . 13 1 1 A 83 83 HIS HA H 83 5.480 4.937 0.543 1
1 956 . 13 1 1 A 83 83 HIS CA C 83 49.900 53.750 -3.850 1
1 957 . 13 1 1 A 83 83 HIS CB C 83 32.000 32.833 -0.833 1
1 960 . 13 1 1 A 83 83 HIS N N 83 115.200 118.717 -3.517 1
1 961 . 13 1 1 A 84 84 PRO HA H 84 3.940 4.425 -0.485 1
1 968 . 13 1 1 A 84 84 PRO CA C 84 65.600 65.218 0.382 1
1 969 . 13 1 1 A 84 84 PRO CB C 84 33.300 32.110 1.190 1
1 972 . 13 1 1 A 85 85 ALA H H 85 8.410 8.272 0.138 1
1 973 . 13 1 1 A 85 85 ALA HA H 85 4.670 4.470 0.200 1
1 977 . 13 1 1 A 85 85 ALA CA C 85 51.300 51.658 -0.358 1
1 978 . 13 1 1 A 85 85 ALA CB C 85 21.200 19.424 1.776 1
1 979 . 13 1 1 A 85 85 ALA N N 85 112.800 118.647 -5.847 1
1 980 . 13 1 1 A 86 86 THR H H 86 7.070 7.542 -0.472 1
1 981 . 13 1 1 A 86 86 THR HA H 86 4.960 5.056 -0.096 1
1 986 . 13 1 1 A 86 86 THR CA C 86 58.600 58.546 0.054 1
1 987 . 13 1 1 A 86 86 THR CB C 86 69.500 70.612 -1.112 1
1 989 . 13 1 1 A 86 86 THR N N 86 109.200 108.957 0.243 1
1 990 . 13 1 1 A 87 87 PRO HA H 87 4.630 5.342 -0.712 1
1 997 . 13 1 1 A 87 87 PRO CA C 87 62.700 62.369 0.331 1
1 998 . 13 1 1 A 87 87 PRO CB C 87 33.500 33.102 0.398 1
1 1001 . 13 1 1 A 88 88 ALA H H 88 9.760 8.364 1.396 1
1 1002 . 13 1 1 A 88 88 ALA HA H 88 3.960 4.609 -0.649 1
1 1006 . 13 1 1 A 88 88 ALA CA C 88 51.700 51.828 -0.128 1
1 1007 . 13 1 1 A 88 88 ALA CB C 88 16.300 18.604 -2.304 1
1 1008 . 13 1 1 A 88 88 ALA N N 88 127.600 122.218 5.382 1
1 1009 . 13 1 1 A 89 89 ARG H H 89 7.570 8.148 -0.578 1
1 1010 . 13 1 1 A 89 89 ARG HA H 89 4.280 4.915 -0.635 1
1 1017 . 13 1 1 A 89 89 ARG CA C 89 53.200 53.432 -0.232 1
1 1018 . 13 1 1 A 89 89 ARG CB C 89 31.300 33.323 -2.023 1
1 1021 . 13 1 1 A 89 89 ARG N N 89 118.300 118.892 -0.592 1
1 1022 . 13 1 1 A 90 90 PRO HA H 90 4.510 4.461 0.049 1
1 1029 . 13 1 1 A 90 90 PRO CA C 90 62.900 62.295 0.605 1
1 1030 . 13 1 1 A 90 90 PRO CB C 90 31.300 30.216 1.084 1
1 1033 . 13 1 1 A 91 91 SER H H 91 9.630 7.953 1.677 1
1 1034 . 13 1 1 A 91 91 SER HA H 91 4.600 4.497 0.103 1
1 1037 . 13 1 1 A 91 91 SER CA C 91 56.500 58.696 -2.196 1
1 1038 . 13 1 1 A 91 91 SER CB C 91 66.000 64.211 1.789 1
1 1039 . 13 1 1 A 91 91 SER N N 91 122.500 118.528 3.972 1
1 1040 . 13 1 1 A 92 92 ALA H H 92 8.910 8.964 -0.054 1
1 1041 . 13 1 1 A 92 92 ALA HA H 92 3.980 3.974 0.006 1
1 1045 . 13 1 1 A 92 92 ALA CA C 92 55.900 55.387 0.513 1
1 1046 . 13 1 1 A 92 92 ALA CB C 92 17.800 18.100 -0.300 1
1 1047 . 13 1 1 A 92 92 ALA N N 92 123.000 125.320 -2.320 1
1 1048 . 13 1 1 A 93 93 GLU H H 93 8.370 8.160 0.210 1
1 1049 . 13 1 1 A 93 93 GLU HA H 93 4.070 4.025 0.045 1
1 1054 . 13 1 1 A 93 93 GLU CA C 93 58.900 59.478 -0.578 1
1 1055 . 13 1 1 A 93 93 GLU CB C 93 28.800 29.698 -0.898 1
1 1057 . 13 1 1 A 93 93 GLU N N 93 118.800 118.919 -0.119 1
1 1058 . 13 1 1 A 94 94 ASP H H 94 7.770 8.370 -0.600 1
1 1059 . 13 1 1 A 94 94 ASP HA H 94 4.260 4.602 -0.342 1
1 1062 . 13 1 1 A 94 94 ASP CA C 94 57.100 57.030 0.070 1
1 1063 . 13 1 1 A 94 94 ASP CB C 94 40.200 40.075 0.125 1
1 1064 . 13 1 1 A 94 94 ASP N N 94 119.200 120.378 -1.178 1
1 1065 . 13 1 1 A 95 95 LYS H H 95 7.830 8.372 -0.542 1
1 1066 . 13 1 1 A 95 95 LYS HA H 95 3.720 3.838 -0.118 1
1 1075 . 13 1 1 A 95 95 LYS CA C 95 59.500 59.335 0.165 1
1 1076 . 13 1 1 A 95 95 LYS CB C 95 31.900 32.182 -0.282 1
1 1080 . 13 1 1 A 95 95 LYS N N 95 116.400 120.295 -3.895 1
1 1081 . 13 1 1 A 96 96 ARG H H 96 7.570 7.329 0.241 1
1 1082 . 13 1 1 A 96 96 ARG HA H 96 3.940 3.996 -0.056 1
1 1089 . 13 1 1 A 96 96 ARG CA C 96 58.500 58.626 -0.126 1
1 1090 . 13 1 1 A 96 96 ARG CB C 96 30.100 29.974 0.126 1
1 1093 . 13 1 1 A 96 96 ARG N N 96 119.400 119.029 0.371 1
1 1094 . 13 1 1 A 97 97 LEU H H 97 7.270 7.595 -0.325 1
1 1095 . 13 1 1 A 97 97 LEU HA H 97 4.030 4.314 -0.284 1
1 1105 . 13 1 1 A 97 97 LEU CA C 97 54.400 54.040 0.360 1
1 1106 . 13 1 1 A 97 97 LEU CB C 97 41.600 41.231 0.369 1
1 1110 . 13 1 1 A 97 97 LEU N N 97 116.100 117.615 -1.515 1
1 1111 . 13 1 1 A 98 98 ALA H H 98 6.950 7.079 -0.129 1
1 1112 . 13 1 1 A 98 98 ALA HA H 98 4.230 4.071 0.159 1
1 1116 . 13 1 1 A 98 98 ALA CA C 98 50.800 51.166 -0.366 1
1 1117 . 13 1 1 A 98 98 ALA CB C 98 16.700 18.010 -1.310 1
1 1118 . 13 1 1 A 98 98 ALA N N 98 124.800 123.747 1.053 1
1 1119 . 13 1 1 A 99 99 PHE H H 99 7.630 8.417 -0.787 1
1 1120 . 13 1 1 A 99 99 PHE HA H 99 4.490 4.766 -0.276 1
1 1128 . 13 1 1 A 99 99 PHE CA C 99 58.200 57.893 0.307 1
1 1129 . 13 1 1 A 99 99 PHE CB C 99 39.500 40.645 -1.145 1
1 1133 . 13 1 1 A 99 99 PHE N N 99 120.400 123.373 -2.973 1
1 1134 . 13 1 1 A 100 100 ASP H H 100 7.320 8.054 -0.734 1
1 1135 . 13 1 1 A 100 100 ASP HA H 100 5.240 4.873 0.367 1
1 1138 . 13 1 1 A 100 100 ASP CA C 100 49.900 52.849 -2.949 1
1 1139 . 13 1 1 A 100 100 ASP CB C 100 42.200 40.204 1.996 1
1 1140 . 13 1 1 A 100 100 ASP N N 100 118.200 120.676 -2.476 1
1 1141 . 13 1 1 A 101 101 PRO HA H 101 5.040 4.494 0.546 1
1 1148 . 13 1 1 A 101 101 PRO CA C 101 64.200 65.170 -0.970 1
1 1149 . 13 1 1 A 101 101 PRO CB C 101 32.800 32.043 0.757 1
1 1152 . 13 1 1 A 102 102 SER H H 102 8.950 8.289 0.661 1
1 1153 . 13 1 1 A 102 102 SER HA H 102 4.530 4.774 -0.244 1
1 1156 . 13 1 1 A 102 102 SER CA C 102 59.300 57.836 1.464 1
1 1157 . 13 1 1 A 102 102 SER CB C 102 64.500 64.813 -0.313 1
1 1158 . 13 1 1 A 102 102 SER N N 102 117.700 110.994 6.706 1
1 1159 . 13 1 1 A 103 103 LEU H H 103 6.850 7.363 -0.513 1
1 1160 . 13 1 1 A 103 103 LEU HA H 103 4.200 4.333 -0.133 1
1 1170 . 13 1 1 A 103 103 LEU CA C 103 53.700 53.623 0.077 1
1 1171 . 13 1 1 A 103 103 LEU CB C 103 41.800 43.105 -1.305 1
1 1175 . 13 1 1 A 103 103 LEU N N 103 121.100 123.697 -2.597 1
1 1176 . 13 1 1 A 104 104 SER H H 104 8.080 8.452 -0.372 1
1 1177 . 13 1 1 A 104 104 SER HA H 104 4.310 4.707 -0.397 1
1 1180 . 13 1 1 A 104 104 SER CA C 104 60.300 58.528 1.772 1
1 1181 . 13 1 1 A 104 104 SER CB C 104 63.300 63.793 -0.493 1
1 1182 . 13 1 1 A 104 104 SER N N 104 116.100 120.039 -3.939 1
1 1183 . 13 1 1 A 105 105 TYR H H 105 8.790 9.019 -0.229 1
1 1184 . 13 1 1 A 105 105 TYR HA H 105 4.750 4.979 -0.229 1
1 1191 . 13 1 1 A 105 105 TYR CA C 105 57.100 56.882 0.218 1
1 1192 . 13 1 1 A 105 105 TYR CB C 105 37.700 38.411 -0.711 1
1 1195 . 13 1 1 A 105 105 TYR N N 105 122.700 125.451 -2.751 1
1 1196 . 13 1 1 A 106 106 LEU H H 106 8.750 9.114 -0.364 1
1 1197 . 13 1 1 A 106 106 LEU HA H 106 5.290 5.426 -0.136 1
1 1207 . 13 1 1 A 106 106 LEU CA C 106 56.000 53.776 2.224 1
1 1208 . 13 1 1 A 106 106 LEU CB C 106 43.400 43.619 -0.219 1
1 1212 . 13 1 1 A 106 106 LEU N N 106 125.200 125.574 -0.374 1
1 1213 . 13 1 1 A 107 107 ILE H H 107 9.480 9.324 0.156 1
1 1214 . 13 1 1 A 107 107 ILE HA H 107 4.630 5.266 -0.636 1
1 1224 . 13 1 1 A 107 107 ILE CA C 107 59.700 60.108 -0.408 1
1 1225 . 13 1 1 A 107 107 ILE CB C 107 40.500 40.409 0.091 1
1 1229 . 13 1 1 A 107 107 ILE N N 107 123.800 124.487 -0.687 1
1 1230 . 13 1 1 A 108 108 ILE H H 108 7.820 9.766 -1.946 1
1 1231 . 13 1 1 A 108 108 ILE HA H 108 4.950 5.028 -0.078 1
1 1241 . 13 1 1 A 108 108 ILE CA C 108 58.600 60.055 -1.455 1
1 1242 . 13 1 1 A 108 108 ILE CB C 108 41.700 39.766 1.934 1
1 1246 . 13 1 1 A 108 108 ILE N N 108 125.200 129.570 -4.370 1
1 1247 . 13 1 1 A 109 109 SER H H 109 9.780 9.082 0.698 1
1 1248 . 13 1 1 A 109 109 SER HA H 109 5.430 4.809 0.621 1
1 1251 . 13 1 1 A 109 109 SER CA C 109 56.400 56.338 0.062 1
1 1252 . 13 1 1 A 109 109 SER CB C 109 64.900 63.890 1.010 1
1 1253 . 13 1 1 A 109 109 SER N N 109 120.300 121.559 -1.259 1
1 1254 . 13 1 1 A 110 110 LEU H H 110 8.110 8.554 -0.444 1
1 1255 . 13 1 1 A 110 110 LEU HA H 110 4.630 4.596 0.034 1
1 1265 . 13 1 1 A 110 110 LEU CA C 110 53.300 54.616 -1.316 1
1 1266 . 13 1 1 A 110 110 LEU CB C 110 41.100 41.849 -0.749 1
1 1270 . 13 1 1 A 110 110 LEU N N 110 130.700 128.734 1.966 1
1 1271 . 13 1 1 A 111 111 ALA H H 111 7.390 7.941 -0.551 1
1 1272 . 13 1 1 A 111 111 ALA HA H 111 3.920 4.233 -0.313 1
1 1276 . 13 1 1 A 111 111 ALA CA C 111 55.200 54.339 0.861 1
1 1277 . 13 1 1 A 111 111 ALA CB C 111 17.900 18.617 -0.717 1
1 1278 . 13 1 1 A 111 111 ALA N N 111 121.000 122.457 -1.457 1
1 1279 . 13 1 1 A 112 112 GLU H H 112 8.290 7.844 0.446 1
1 1280 . 13 1 1 A 112 112 GLU HA H 112 4.830 4.622 0.208 1
1 1285 . 13 1 1 A 112 112 GLU CA C 112 52.600 53.032 -0.432 1
1 1286 . 13 1 1 A 112 112 GLU CB C 112 29.300 30.438 -1.138 1
1 1288 . 13 1 1 A 112 112 GLU N N 112 116.400 117.850 -1.450 1
1 1289 . 13 1 1 A 113 113 PRO HA H 113 3.940 4.458 -0.518 1
1 1296 . 13 1 1 A 113 113 PRO CA C 113 65.600 64.325 1.275 1
1 1297 . 13 1 1 A 113 113 PRO CB C 113 31.900 31.832 0.068 1
1 1300 . 13 1 1 A 114 114 GLN H H 114 8.610 8.812 -0.202 1
1 1301 . 13 1 1 A 114 114 GLN HA H 114 4.250 4.093 0.157 1
1 1308 . 13 1 1 A 114 114 GLN CA C 114 56.100 58.043 -1.943 1
1 1309 . 13 1 1 A 114 114 GLN CB C 114 28.300 29.204 -0.904 1
1 1311 . 13 1 1 A 114 114 GLN N N 114 113.500 117.783 -4.283 1
1 1313 . 13 1 1 A 115 115 LYS H H 115 8.040 7.416 0.624 1
1 1314 . 13 1 1 A 115 115 LYS HA H 115 4.620 4.750 -0.130 1
1 1323 . 13 1 1 A 115 115 LYS CA C 115 53.500 53.585 -0.085 1
1 1324 . 13 1 1 A 115 115 LYS CB C 115 33.400 33.410 -0.010 1
1 1328 . 13 1 1 A 115 115 LYS N N 115 121.000 119.394 1.606 1
1 1329 . 13 1 1 A 116 116 PRO HA H 116 4.560 4.686 -0.126 1
1 1336 . 13 1 1 A 116 116 PRO CA C 116 62.900 62.835 0.065 1
1 1337 . 13 1 1 A 116 116 PRO CB C 116 32.500 31.584 0.916 1
1 1340 . 13 1 1 A 117 117 VAL H H 117 7.850 8.303 -0.453 1
1 1341 . 13 1 1 A 117 117 VAL HA H 117 4.360 4.206 0.154 1
1 1349 . 13 1 1 A 117 117 VAL CA C 117 61.200 62.009 -0.809 1
1 1350 . 13 1 1 A 117 117 VAL CB C 117 35.900 31.096 4.804 1
1 1353 . 13 1 1 A 117 117 VAL N N 117 120.600 123.575 -2.975 1
1 1354 . 13 1 1 A 118 118 CYS H H 118 8.820 8.994 -0.174 1
1 1355 . 13 1 1 A 118 118 CYS HA H 118 5.340 5.424 -0.084 1
1 1358 . 13 1 1 A 118 118 CYS CA C 118 56.400 56.972 -0.572 1
1 1359 . 13 1 1 A 118 118 CYS CB C 118 28.700 30.600 -1.900 1
1 1360 . 13 1 1 A 118 118 CYS N N 118 127.100 127.863 -0.763 1
1 1361 . 13 1 1 A 119 119 LYS H H 119 8.530 8.771 -0.241 1
1 1362 . 13 1 1 A 119 119 LYS HA H 119 4.590 4.740 -0.150 1
1 1371 . 13 1 1 A 119 119 LYS CA C 119 54.900 54.690 0.210 1
1 1372 . 13 1 1 A 119 119 LYS CB C 119 39.600 35.675 3.925 1
1 1376 . 13 1 1 A 119 119 LYS N N 119 126.400 127.215 -0.815 1
1 1377 . 13 1 1 A 120 120 SER H H 120 8.220 8.128 0.092 1
1 1378 . 13 1 1 A 120 120 SER HA H 120 4.870 5.033 -0.163 1
1 1381 . 13 1 1 A 120 120 SER CA C 120 56.300 56.631 -0.331 1
1 1382 . 13 1 1 A 120 120 SER CB C 120 63.300 64.215 -0.915 1
1 1383 . 13 1 1 A 120 120 SER N N 120 114.500 117.008 -2.508 1
1 1384 . 13 1 1 A 121 121 PHE H H 121 8.450 9.659 -1.209 1
1 1385 . 13 1 1 A 121 121 PHE HA H 121 5.160 5.281 -0.121 1
1 1393 . 13 1 1 A 121 121 PHE CA C 121 57.200 56.377 0.823 1
1 1394 . 13 1 1 A 121 121 PHE CB C 121 42.700 42.207 0.493 1
1 1398 . 13 1 1 A 121 121 PHE N N 121 124.400 124.944 -0.544 1
1 1399 . 13 1 1 A 122 122 LEU H H 122 9.070 9.613 -0.543 1
1 1400 . 13 1 1 A 122 122 LEU HA H 122 5.270 5.031 0.239 1
1 1410 . 13 1 1 A 122 122 LEU CA C 122 53.300 53.688 -0.388 1
1 1411 . 13 1 1 A 122 122 LEU CB C 122 42.200 42.663 -0.463 1
1 1415 . 13 1 1 A 122 122 LEU N N 122 120.900 123.624 -2.724 1
1 1416 . 13 1 1 A 123 123 ILE H H 123 9.730 9.375 0.355 1
1 1417 . 13 1 1 A 123 123 ILE HA H 123 4.290 4.744 -0.454 1
1 1427 . 13 1 1 A 123 123 ILE CA C 123 61.400 60.057 1.343 1
1 1428 . 13 1 1 A 123 123 ILE CB C 123 38.000 38.635 -0.635 1
1 1432 . 13 1 1 A 123 123 ILE N N 123 125.900 125.791 0.109 1
1 1433 . 13 1 1 A 124 124 LYS H H 124 8.080 9.573 -1.493 1
1 1434 . 13 1 1 A 124 124 LYS HA H 124 4.720 4.561 0.159 1
1 1443 . 13 1 1 A 124 124 LYS CA C 124 54.100 55.309 -1.209 1
1 1444 . 13 1 1 A 124 124 LYS CB C 124 34.700 33.690 1.010 1
1 1448 . 13 1 1 A 124 124 LYS N N 124 124.600 126.403 -1.803 1
1 1449 . 13 1 1 A 125 125 LYS H H 125 8.830 8.863 -0.033 1
1 1450 . 13 1 1 A 125 125 LYS HA H 125 4.000 3.942 0.058 1
1 1459 . 13 1 1 A 125 125 LYS CA C 125 59.000 59.596 -0.596 1
1 1460 . 13 1 1 A 125 125 LYS CB C 125 31.700 32.507 -0.807 1
1 1464 . 13 1 1 A 125 125 LYS N N 125 120.900 123.272 -2.372 1
1 1465 . 13 1 1 A 126 126 ASP H H 126 8.160 8.243 -0.083 1
1 1466 . 13 1 1 A 126 126 ASP HA H 126 4.650 4.916 -0.266 1
1 1469 . 13 1 1 A 126 126 ASP CA C 126 53.100 52.665 0.435 1
1 1470 . 13 1 1 A 126 126 ASP CB C 126 40.300 41.008 -0.708 1
1 1471 . 13 1 1 A 126 126 ASP N N 126 113.200 118.812 -5.612 1
1 1472 . 13 1 1 A 127 127 GLY H H 127 7.370 8.094 -0.724 1
1 1473 . 13 1 1 A 127 127 GLY HA2 H 127 4.300 4.075 0.225 1
1 1474 . 13 1 1 A 127 127 GLY HA3 H 127 3.900 4.084 -0.184 1
1 1475 . 13 1 1 A 127 127 GLY CA C 127 45.200 45.850 -0.650 1
1 1476 . 13 1 1 A 127 127 GLY N N 127 107.600 111.478 -3.878 1
1 1477 . 13 1 1 A 128 128 VAL H H 128 8.130 8.770 -0.640 1
1 1478 . 13 1 1 A 128 128 VAL HA H 128 4.900 5.041 -0.141 1
1 1486 . 13 1 1 A 128 128 VAL CA C 128 60.900 59.907 0.993 1
1 1487 . 13 1 1 A 128 128 VAL CB C 128 34.000 34.151 -0.151 1
1 1490 . 13 1 1 A 128 128 VAL N N 128 118.900 122.598 -3.698 1
1 1491 . 13 1 1 A 129 129 ASP H H 129 9.250 9.427 -0.177 1
1 1492 . 13 1 1 A 129 129 ASP HA H 129 5.220 5.106 0.114 1
1 1495 . 13 1 1 A 129 129 ASP CA C 129 52.300 53.392 -1.092 1
1 1496 . 13 1 1 A 129 129 ASP CB C 129 43.600 41.937 1.663 1
1 1497 . 13 1 1 A 129 129 ASP N N 129 126.500 127.147 -0.647 1
1 1498 . 13 1 1 A 130 130 GLU H H 130 8.900 8.788 0.112 1
1 1499 . 13 1 1 A 130 130 GLU HA H 130 4.420 4.626 -0.206 1
1 1504 . 13 1 1 A 130 130 GLU CA C 130 56.400 56.260 0.140 1
1 1505 . 13 1 1 A 130 130 GLU CB C 130 29.800 30.509 -0.709 1
1 1507 . 13 1 1 A 130 130 GLU N N 130 124.000 124.175 -0.175 1
1 1508 . 13 1 1 A 131 131 GLU H H 131 8.860 9.269 -0.409 1
1 1509 . 13 1 1 A 131 131 GLU HA H 131 4.430 4.924 -0.494 1
1 1514 . 13 1 1 A 131 131 GLU CA C 131 53.500 54.642 -1.142 1
1 1515 . 13 1 1 A 131 131 GLU CB C 131 32.500 33.114 -0.614 1
1 1517 . 13 1 1 A 131 131 GLU N N 131 129.200 124.041 5.159 1
1 1518 . 13 1 1 A 132 132 GLU H H 132 8.610 8.706 -0.096 1
1 1519 . 13 1 1 A 132 132 GLU HA H 132 4.050 4.804 -0.754 1
1 1524 . 13 1 1 A 132 132 GLU CA C 132 57.100 55.447 1.653 1
1 1525 . 13 1 1 A 132 132 GLU CB C 132 30.100 31.658 -1.558 1
1 1527 . 13 1 1 A 132 132 GLU N N 132 126.400 124.213 2.187 1
1 1528 . 13 1 1 A 133 133 ILE H H 133 8.200 8.529 -0.329 1
1 1529 . 13 1 1 A 133 133 ILE HA H 133 4.740 4.927 -0.187 1
1 1539 . 13 1 1 A 133 133 ILE CA C 133 60.000 59.898 0.102 1
1 1540 . 13 1 1 A 133 133 ILE CB C 133 39.300 40.805 -1.505 1
1 1544 . 13 1 1 A 133 133 ILE N N 133 124.500 120.189 4.311 1
1 1545 . 13 1 1 A 134 134 ILE H H 134 9.000 9.309 -0.309 1
1 1546 . 13 1 1 A 134 134 ILE HA H 134 4.190 4.901 -0.711 1
1 1556 . 13 1 1 A 134 134 ILE CA C 134 59.000 59.447 -0.447 1
1 1557 . 13 1 1 A 134 134 ILE CB C 134 38.300 38.893 -0.593 1
1 1561 . 13 1 1 A 134 134 ILE N N 134 130.900 127.708 3.192 1
1 1562 . 13 1 1 A 135 135 LEU H H 135 8.360 9.020 -0.660 1
1 1563 . 13 1 1 A 135 135 LEU HA H 135 5.190 5.556 -0.366 1
1 1573 . 13 1 1 A 135 135 LEU CA C 135 52.700 53.097 -0.397 1
1 1574 . 13 1 1 A 135 135 LEU CB C 135 42.800 44.779 -1.979 1
1 1578 . 13 1 1 A 135 135 LEU N N 135 127.100 127.379 -0.279 1
1 1579 . 13 1 1 A 136 136 LYS H H 136 8.790 8.502 0.288 1
1 1580 . 13 1 1 A 136 136 LYS HA H 136 4.330 4.838 -0.508 1
1 1589 . 13 1 1 A 136 136 LYS CA C 136 55.600 54.574 1.026 1
1 1590 . 13 1 1 A 136 136 LYS CB C 136 34.600 35.106 -0.506 1
1 1594 . 13 1 1 A 136 136 LYS N N 136 125.100 122.448 2.652 1
1 1595 . 13 1 1 A 137 137 GLU H H 137 8.850 8.679 0.171 1
1 1596 . 13 1 1 A 137 137 GLU HA H 137 4.240 4.322 -0.082 1
1 1601 . 13 1 1 A 137 137 GLU CA C 137 57.600 57.884 -0.284 1
1 1602 . 13 1 1 A 137 137 GLU CB C 137 29.900 30.768 -0.868 1
1 1604 . 13 1 1 A 137 137 GLU N N 137 121.100 121.774 -0.674 1
1 1605 . 13 1 1 A 138 138 GLU H H 138 8.150 7.750 0.400 1
1 1606 . 13 1 1 A 138 138 GLU HA H 138 4.370 4.831 -0.461 1
1 1611 . 13 1 1 A 138 138 GLU CA C 138 55.800 54.602 1.198 1
1 1612 . 13 1 1 A 138 138 GLU CB C 138 30.700 33.009 -2.309 1
1 1614 . 13 1 1 A 138 138 GLU N N 138 119.300 119.933 -0.633 1
1 1615 . 13 1 1 A 139 139 LEU H H 139 8.240 8.555 -0.315 1
1 1616 . 13 1 1 A 139 139 LEU HA H 139 4.180 4.371 -0.191 1
1 1626 . 13 1 1 A 139 139 LEU CA C 139 55.400 55.216 0.184 1
1 1627 . 13 1 1 A 139 139 LEU CB C 139 42.300 42.413 -0.113 1
1 1631 . 13 1 1 A 139 139 LEU N N 139 122.800 124.292 -1.492 1
1 1632 . 13 1 1 A 140 140 GLU H H 140 8.250 8.430 -0.180 1
1 1633 . 13 1 1 A 140 140 GLU HA H 140 4.150 4.524 -0.374 1
1 1638 . 13 1 1 A 140 140 GLU CA C 140 56.400 56.897 -0.497 1
1 1639 . 13 1 1 A 140 140 GLU CB C 140 29.900 30.041 -0.141 1
1 1641 . 13 1 1 A 140 140 GLU N N 140 120.700 121.033 -0.333 1
1 1642 . 13 1 1 A 141 141 HIS H H 141 8.400 8.963 -0.563 1
1 13 . 14 1 1 A 2 2 ILE H H 2 8.780 7.835 0.945 1
1 14 . 14 1 1 A 2 2 ILE HA H 2 5.060 4.763 0.297 1
1 24 . 14 1 1 A 2 2 ILE CA C 2 58.500 59.557 -1.057 1
1 25 . 14 1 1 A 2 2 ILE CB C 2 41.300 40.563 0.737 1
1 29 . 14 1 1 A 2 2 ILE N N 2 124.600 121.643 2.957 1
1 30 . 14 1 1 A 3 3 THR H H 3 8.280 9.085 -0.805 1
1 31 . 14 1 1 A 3 3 THR HA H 3 5.350 5.230 0.120 1
1 36 . 14 1 1 A 3 3 THR CA C 3 60.900 61.784 -0.884 1
1 37 . 14 1 1 A 3 3 THR CB C 3 69.900 70.394 -0.494 1
1 39 . 14 1 1 A 3 3 THR N N 3 123.200 124.502 -1.302 1
1 40 . 14 1 1 A 4 4 LEU H H 4 8.710 8.785 -0.075 1
1 41 . 14 1 1 A 4 4 LEU HA H 4 5.040 5.003 0.037 1
1 51 . 14 1 1 A 4 4 LEU CA C 4 53.800 53.492 0.308 1
1 52 . 14 1 1 A 4 4 LEU CB C 4 45.800 45.550 0.250 1
1 56 . 14 1 1 A 4 4 LEU N N 4 127.600 122.239 5.361 1
1 57 . 14 1 1 A 5 5 THR H H 5 8.440 8.163 0.277 1
1 58 . 14 1 1 A 5 5 THR HA H 5 5.040 4.953 0.087 1
1 63 . 14 1 1 A 5 5 THR CA C 5 59.300 59.485 -0.185 1
1 64 . 14 1 1 A 5 5 THR CB C 5 71.000 72.074 -1.074 1
1 66 . 14 1 1 A 5 5 THR N N 5 109.500 110.371 -0.871 1
1 67 . 14 1 1 A 6 6 LYS H H 6 8.730 9.547 -0.817 1
1 68 . 14 1 1 A 6 6 LYS HA H 6 3.810 3.916 -0.106 1
1 77 . 14 1 1 A 6 6 LYS CA C 6 60.000 60.471 -0.471 1
1 78 . 14 1 1 A 6 6 LYS CB C 6 32.000 31.846 0.154 1
1 82 . 14 1 1 A 6 6 LYS N N 6 121.500 121.229 0.271 1
1 83 . 14 1 1 A 7 7 LYS H H 7 8.290 7.950 0.340 1
1 84 . 14 1 1 A 7 7 LYS HA H 7 3.990 3.926 0.064 1
1 93 . 14 1 1 A 7 7 LYS CA C 7 59.200 59.347 -0.147 1
1 94 . 14 1 1 A 7 7 LYS CB C 7 32.400 31.777 0.623 1
1 98 . 14 1 1 A 7 7 LYS N N 7 118.800 119.958 -1.158 1
1 99 . 14 1 1 A 8 8 GLN H H 8 7.650 7.419 0.231 1
1 100 . 14 1 1 A 8 8 GLN HA H 8 3.890 3.976 -0.086 1
1 107 . 14 1 1 A 8 8 GLN CA C 8 58.100 59.050 -0.950 1
1 108 . 14 1 1 A 8 8 GLN CB C 8 27.400 28.429 -1.029 1
1 110 . 14 1 1 A 8 8 GLN N N 8 119.800 118.285 1.515 1
1 112 . 14 1 1 A 9 9 MET H H 9 8.130 8.156 -0.026 1
1 113 . 14 1 1 A 9 9 MET HA H 9 4.130 3.919 0.211 1
1 121 . 14 1 1 A 9 9 MET CA C 9 57.500 58.232 -0.732 1
1 122 . 14 1 1 A 9 9 MET CB C 9 30.900 31.936 -1.036 1
1 125 . 14 1 1 A 9 9 MET N N 9 118.300 119.772 -1.472 1
1 126 . 14 1 1 A 10 10 GLU H H 10 8.460 8.525 -0.065 1
1 127 . 14 1 1 A 10 10 GLU HA H 10 3.890 3.939 -0.049 1
1 132 . 14 1 1 A 10 10 GLU CA C 10 59.100 59.531 -0.431 1
1 133 . 14 1 1 A 10 10 GLU CB C 10 28.500 29.107 -0.607 1
1 135 . 14 1 1 A 10 10 GLU N N 10 118.500 117.945 0.555 1
1 136 . 14 1 1 A 11 11 GLU H H 11 8.200 8.111 0.089 1
1 137 . 14 1 1 A 11 11 GLU HA H 11 4.070 4.028 0.042 1
1 142 . 14 1 1 A 11 11 GLU CA C 11 59.200 58.883 0.317 1
1 143 . 14 1 1 A 11 11 GLU CB C 11 28.900 29.375 -0.475 1
1 145 . 14 1 1 A 11 11 GLU N N 11 120.800 120.290 0.510 1
1 146 . 14 1 1 A 12 12 MET H H 12 7.780 8.278 -0.498 1
1 147 . 14 1 1 A 12 12 MET HA H 12 3.390 4.136 -0.746 1
1 155 . 14 1 1 A 12 12 MET CA C 12 60.600 58.490 2.110 1
1 156 . 14 1 1 A 12 12 MET CB C 12 33.900 33.202 0.698 1
1 159 . 14 1 1 A 12 12 MET N N 12 119.300 118.891 0.409 1
1 160 . 14 1 1 A 13 13 LEU H H 13 8.340 8.817 -0.477 1
1 161 . 14 1 1 A 13 13 LEU HA H 13 3.770 4.036 -0.266 1
1 171 . 14 1 1 A 13 13 LEU CA C 13 58.000 57.870 0.130 1
1 172 . 14 1 1 A 13 13 LEU CB C 13 41.400 41.255 0.145 1
1 176 . 14 1 1 A 13 13 LEU N N 13 118.600 119.727 -1.127 1
1 177 . 14 1 1 A 14 14 ALA H H 14 8.620 8.525 0.095 1
1 178 . 14 1 1 A 14 14 ALA HA H 14 4.100 4.098 0.002 1
1 182 . 14 1 1 A 14 14 ALA CA C 14 55.200 55.245 -0.045 1
1 183 . 14 1 1 A 14 14 ALA CB C 14 17.800 18.155 -0.355 1
1 184 . 14 1 1 A 14 14 ALA N N 14 121.500 121.335 0.165 1
1 185 . 14 1 1 A 15 15 HIS H H 15 7.780 7.726 0.054 1
1 186 . 14 1 1 A 15 15 HIS HA H 15 4.460 4.284 0.176 1
1 190 . 14 1 1 A 15 15 HIS CA C 15 59.000 59.653 -0.653 1
1 191 . 14 1 1 A 15 15 HIS CB C 15 29.300 29.546 -0.246 1
1 193 . 14 1 1 A 15 15 HIS N N 15 116.700 118.069 -1.369 1
1 194 . 14 1 1 A 16 16 ALA H H 16 8.390 8.700 -0.310 1
1 195 . 14 1 1 A 16 16 ALA HA H 16 4.100 3.919 0.181 1
1 199 . 14 1 1 A 16 16 ALA CA C 16 54.500 55.357 -0.857 1
1 200 . 14 1 1 A 16 16 ALA CB C 16 18.200 18.325 -0.125 1
1 201 . 14 1 1 A 16 16 ALA N N 16 120.000 121.161 -1.161 1
1 202 . 14 1 1 A 17 17 ARG H H 17 8.820 8.336 0.484 1
1 203 . 14 1 1 A 17 17 ARG HA H 17 3.890 4.040 -0.150 1
1 210 . 14 1 1 A 17 17 ARG CA C 17 59.900 58.879 1.021 1
1 211 . 14 1 1 A 17 17 ARG CB C 17 30.100 30.003 0.097 1
1 214 . 14 1 1 A 17 17 ARG N N 17 118.900 117.077 1.823 1
1 215 . 14 1 1 A 18 18 GLN H H 18 8.130 7.823 0.307 1
1 216 . 14 1 1 A 18 18 GLN HA H 18 4.060 4.119 -0.059 1
1 223 . 14 1 1 A 18 18 GLN CA C 18 57.900 58.662 -0.762 1
1 224 . 14 1 1 A 18 18 GLN CB C 18 28.000 28.765 -0.765 1
1 226 . 14 1 1 A 18 18 GLN N N 18 118.100 119.347 -1.247 1
1 228 . 14 1 1 A 19 19 ALA H H 19 7.090 7.497 -0.407 1
1 229 . 14 1 1 A 19 19 ALA HA H 19 4.220 4.316 -0.096 1
1 233 . 14 1 1 A 19 19 ALA CA C 19 52.300 51.945 0.355 1
1 234 . 14 1 1 A 19 19 ALA CB C 19 20.600 19.134 1.466 1
1 235 . 14 1 1 A 19 19 ALA N N 19 117.600 119.512 -1.912 1
1 236 . 14 1 1 A 20 20 LEU H H 20 7.020 7.334 -0.314 1
1 237 . 14 1 1 A 20 20 LEU HA H 20 4.110 4.424 -0.314 1
1 247 . 14 1 1 A 20 20 LEU CA C 20 54.600 53.790 0.810 1
1 248 . 14 1 1 A 20 20 LEU CB C 20 40.400 41.403 -1.003 1
1 252 . 14 1 1 A 20 20 LEU N N 20 117.900 122.266 -4.366 1
1 253 . 14 1 1 A 21 21 PRO HA H 21 4.320 4.651 -0.331 1
1 260 . 14 1 1 A 21 21 PRO CA C 21 63.700 63.374 0.326 1
1 261 . 14 1 1 A 21 21 PRO CB C 21 35.000 31.661 3.339 1
1 264 . 14 1 1 A 22 22 ASN H H 22 8.690 8.149 0.541 1
1 265 . 14 1 1 A 22 22 ASN HA H 22 4.570 5.161 -0.591 1
1 270 . 14 1 1 A 22 22 ASN CA C 22 52.400 51.999 0.401 1
1 271 . 14 1 1 A 22 22 ASN CB C 22 40.000 40.802 -0.802 1
1 272 . 14 1 1 A 22 22 ASN N N 22 122.000 121.152 0.848 1
1 274 . 14 1 1 A 23 23 GLU H H 23 8.540 8.627 -0.087 1
1 275 . 14 1 1 A 23 23 GLU HA H 23 4.050 4.540 -0.490 1
1 280 . 14 1 1 A 23 23 GLU CA C 23 57.300 56.623 0.677 1
1 281 . 14 1 1 A 23 23 GLU CB C 23 29.000 30.300 -1.300 1
1 283 . 14 1 1 A 23 23 GLU N N 23 116.100 120.058 -3.958 1
1 284 . 14 1 1 A 24 24 ALA H H 24 8.390 8.100 0.290 1
1 285 . 14 1 1 A 24 24 ALA HA H 24 5.040 4.559 0.481 1
1 289 . 14 1 1 A 24 24 ALA CA C 24 48.900 52.077 -3.177 1
1 290 . 14 1 1 A 24 24 ALA CB C 24 23.200 19.112 4.088 1
1 291 . 14 1 1 A 24 24 ALA N N 24 124.800 128.407 -3.607 1
1 292 . 14 1 1 A 25 25 CYS H H 25 8.910 8.784 0.126 1
1 293 . 14 1 1 A 25 25 CYS HA H 25 5.000 5.328 -0.328 1
1 296 . 14 1 1 A 25 25 CYS CA C 25 55.000 56.972 -1.972 1
1 297 . 14 1 1 A 25 25 CYS CB C 25 32.600 31.121 1.479 1
1 298 . 14 1 1 A 25 25 CYS N N 25 111.700 122.030 -10.330 1
1 299 . 14 1 1 A 26 26 GLY H H 26 7.110 7.347 -0.237 1
1 300 . 14 1 1 A 26 26 GLY HA2 H 26 3.820 3.671 0.149 1
1 301 . 14 1 1 A 26 26 GLY HA3 H 26 4.070 3.924 0.146 1
1 302 . 14 1 1 A 26 26 GLY CA C 26 46.500 45.612 0.888 1
1 303 . 14 1 1 A 26 26 GLY N N 26 103.200 106.368 -3.168 1
1 304 . 14 1 1 A 27 27 LEU H H 27 8.830 8.655 0.175 1
1 305 . 14 1 1 A 27 27 LEU HA H 27 5.200 5.222 -0.022 1
1 315 . 14 1 1 A 27 27 LEU CA C 27 53.200 53.263 -0.063 1
1 316 . 14 1 1 A 27 27 LEU CB C 27 46.600 45.559 1.041 1
1 320 . 14 1 1 A 27 27 LEU N N 27 116.700 121.084 -4.384 1
1 321 . 14 1 1 A 28 28 LEU H H 28 8.060 8.707 -0.647 1
1 322 . 14 1 1 A 28 28 LEU HA H 28 5.200 5.175 0.025 1
1 332 . 14 1 1 A 28 28 LEU CA C 28 53.400 52.843 0.557 1
1 333 . 14 1 1 A 28 28 LEU CB C 28 44.900 44.725 0.175 1
1 337 . 14 1 1 A 28 28 LEU N N 28 118.200 122.008 -3.808 1
1 338 . 14 1 1 A 29 29 GLY H H 29 9.210 8.762 0.448 1
1 339 . 14 1 1 A 29 29 GLY HA2 H 29 3.750 4.276 -0.526 1
1 340 . 14 1 1 A 29 29 GLY HA3 H 29 5.800 4.311 1.489 1
1 341 . 14 1 1 A 29 29 GLY CA C 29 43.600 44.408 -0.808 1
1 342 . 14 1 1 A 29 29 GLY N N 29 109.500 111.917 -2.417 1
1 343 . 14 1 1 A 30 30 GLY H H 30 9.520 8.504 1.016 1
1 344 . 14 1 1 A 30 30 GLY HA2 H 30 3.210 4.024 -0.814 1
1 345 . 14 1 1 A 30 30 GLY HA3 H 30 4.800 4.235 0.565 1
1 346 . 14 1 1 A 30 30 GLY CA C 30 47.500 46.081 1.419 1
1 347 . 14 1 1 A 30 30 GLY N N 30 111.700 109.676 2.024 1
1 348 . 14 1 1 A 31 31 ARG H H 31 8.900 8.478 0.422 1
1 349 . 14 1 1 A 31 31 ARG HA H 31 5.170 5.177 -0.007 1
1 356 . 14 1 1 A 31 31 ARG CA C 31 54.200 54.791 -0.591 1
1 357 . 14 1 1 A 31 31 ARG CB C 31 34.200 33.086 1.114 1
1 360 . 14 1 1 A 31 31 ARG N N 31 123.000 122.993 0.007 1
1 361 . 14 1 1 A 32 32 ARG H H 32 9.070 9.094 -0.024 1
1 362 . 14 1 1 A 32 32 ARG HA H 32 5.140 5.382 -0.242 1
1 369 . 14 1 1 A 32 32 ARG CA C 32 54.700 54.704 -0.004 1
1 370 . 14 1 1 A 32 32 ARG CB C 32 33.700 32.635 1.065 1
1 373 . 14 1 1 A 32 32 ARG N N 32 121.500 121.837 -0.337 1
1 374 . 14 1 1 A 33 33 ASP H H 33 8.640 8.860 -0.220 1
1 375 . 14 1 1 A 33 33 ASP HA H 33 4.850 4.970 -0.120 1
1 378 . 14 1 1 A 33 33 ASP CA C 33 53.400 52.798 0.602 1
1 379 . 14 1 1 A 33 33 ASP CB C 33 42.100 42.533 -0.433 1
1 380 . 14 1 1 A 33 33 ASP N N 33 124.200 123.732 0.468 1
1 381 . 14 1 1 A 34 34 GLY H H 34 9.020 9.034 -0.014 1
1 382 . 14 1 1 A 34 34 GLY HA2 H 34 3.670 3.857 -0.187 1
1 383 . 14 1 1 A 34 34 GLY HA3 H 34 4.000 3.861 0.139 1
1 384 . 14 1 1 A 34 34 GLY CA C 34 47.200 47.364 -0.164 1
1 385 . 14 1 1 A 34 34 GLY N N 34 115.900 116.740 -0.840 1
1 386 . 14 1 1 A 35 35 ASP H H 35 9.070 8.615 0.455 1
1 387 . 14 1 1 A 35 35 ASP HA H 35 4.650 4.691 -0.041 1
1 390 . 14 1 1 A 35 35 ASP CA C 35 54.800 53.652 1.148 1
1 391 . 14 1 1 A 35 35 ASP CB C 35 41.000 41.510 -0.510 1
1 392 . 14 1 1 A 35 35 ASP N N 35 127.300 126.184 1.116 1
1 393 . 14 1 1 A 36 36 ASP H H 36 8.070 7.568 0.502 1
1 394 . 14 1 1 A 36 36 ASP HA H 36 4.950 5.153 -0.203 1
1 397 . 14 1 1 A 36 36 ASP CA C 36 53.700 52.592 1.108 1
1 398 . 14 1 1 A 36 36 ASP CB C 36 41.700 42.770 -1.070 1
1 399 . 14 1 1 A 36 36 ASP N N 36 120.600 118.799 1.801 1
1 400 . 14 1 1 A 37 37 ARG H H 37 8.070 8.680 -0.610 1
1 401 . 14 1 1 A 37 37 ARG HA H 37 4.850 4.968 -0.118 1
1 408 . 14 1 1 A 37 37 ARG CA C 37 55.400 54.289 1.111 1
1 409 . 14 1 1 A 37 37 ARG CB C 37 32.900 33.133 -0.233 1
1 412 . 14 1 1 A 37 37 ARG N N 37 120.800 121.779 -0.979 1
1 413 . 14 1 1 A 38 38 TRP H H 38 9.380 9.494 -0.114 1
1 414 . 14 1 1 A 38 38 TRP HA H 38 4.840 5.349 -0.509 1
1 423 . 14 1 1 A 38 38 TRP CA C 38 57.000 55.446 1.554 1
1 424 . 14 1 1 A 38 38 TRP CB C 38 30.100 31.480 -1.380 1
1 430 . 14 1 1 A 38 38 TRP N N 38 124.900 123.497 1.403 1
1 432 . 14 1 1 A 39 39 VAL H H 39 8.450 9.167 -0.717 1
1 433 . 14 1 1 A 39 39 VAL HA H 39 3.390 4.039 -0.649 1
1 441 . 14 1 1 A 39 39 VAL CA C 39 64.500 63.005 1.495 1
1 442 . 14 1 1 A 39 39 VAL CB C 39 31.500 30.620 0.880 1
1 445 . 14 1 1 A 39 39 VAL N N 39 124.400 125.353 -0.953 1
1 446 . 14 1 1 A 40 40 GLU H H 40 9.080 8.379 0.701 1
1 447 . 14 1 1 A 40 40 GLU HA H 40 4.350 4.351 -0.001 1
1 452 . 14 1 1 A 40 40 GLU CA C 40 54.900 57.502 -2.602 1
1 453 . 14 1 1 A 40 40 GLU CB C 40 29.500 31.113 -1.613 1
1 455 . 14 1 1 A 40 40 GLU N N 40 124.200 127.194 -2.994 1
1 456 . 14 1 1 A 41 41 ARG H H 41 7.610 7.103 0.507 1
1 457 . 14 1 1 A 41 41 ARG HA H 41 4.070 4.502 -0.432 1
1 464 . 14 1 1 A 41 41 ARG CA C 41 56.800 54.971 1.829 1
1 465 . 14 1 1 A 41 41 ARG CB C 41 33.600 32.714 0.886 1
1 468 . 14 1 1 A 41 41 ARG N N 41 120.000 120.267 -0.267 1
1 469 . 14 1 1 A 42 42 VAL H H 42 8.460 8.545 -0.085 1
1 470 . 14 1 1 A 42 42 VAL HA H 42 4.300 4.335 -0.035 1
1 478 . 14 1 1 A 42 42 VAL CA C 42 60.900 61.190 -0.290 1
1 479 . 14 1 1 A 42 42 VAL CB C 42 32.900 32.556 0.344 1
1 482 . 14 1 1 A 42 42 VAL N N 42 125.600 127.139 -1.539 1
1 483 . 14 1 1 A 43 43 TYR H H 43 9.070 8.627 0.443 1
1 484 . 14 1 1 A 43 43 TYR HA H 43 4.930 5.278 -0.348 1
1 491 . 14 1 1 A 43 43 TYR CA C 43 54.600 54.849 -0.249 1
1 492 . 14 1 1 A 43 43 TYR CB C 43 38.500 38.954 -0.454 1
1 495 . 14 1 1 A 43 43 TYR N N 43 124.800 126.371 -1.571 1
1 496 . 14 1 1 A 44 44 PRO HA H 44 4.260 4.377 -0.117 1
1 503 . 14 1 1 A 44 44 PRO CA C 44 63.200 62.730 0.470 1
1 504 . 14 1 1 A 44 44 PRO CB C 44 30.100 31.339 -1.239 1
1 507 . 14 1 1 A 45 45 LEU H H 45 8.270 8.179 0.091 1
1 508 . 14 1 1 A 45 45 LEU HA H 45 4.930 4.633 0.297 1
1 518 . 14 1 1 A 45 45 LEU CA C 45 53.800 53.898 -0.098 1
1 519 . 14 1 1 A 45 45 LEU CB C 45 45.600 43.995 1.605 1
1 523 . 14 1 1 A 45 45 LEU N N 45 125.800 123.782 2.018 1
1 524 . 14 1 1 A 46 46 ASN H H 46 9.120 8.469 0.651 1
1 525 . 14 1 1 A 46 46 ASN HA H 46 4.630 4.831 -0.201 1
1 530 . 14 1 1 A 46 46 ASN CA C 46 56.000 53.369 2.631 1
1 531 . 14 1 1 A 46 46 ASN CB C 46 39.000 39.307 -0.307 1
1 532 . 14 1 1 A 46 46 ASN N N 46 119.000 123.955 -4.955 1
1 534 . 14 1 1 A 47 47 ASN H H 47 8.460 8.665 -0.205 1
1 535 . 14 1 1 A 47 47 ASN HA H 47 5.260 4.790 0.470 1
1 540 . 14 1 1 A 47 47 ASN CA C 47 51.200 52.423 -1.223 1
1 541 . 14 1 1 A 47 47 ASN CB C 47 37.700 37.856 -0.156 1
1 542 . 14 1 1 A 47 47 ASN N N 47 118.500 122.222 -3.722 1
1 544 . 14 1 1 A 48 48 LEU H H 48 8.890 8.063 0.827 1
1 545 . 14 1 1 A 48 48 LEU HA H 48 4.070 4.067 0.003 1
1 555 . 14 1 1 A 48 48 LEU CA C 48 56.800 57.623 -0.823 1
1 556 . 14 1 1 A 48 48 LEU CB C 48 41.600 41.829 -0.229 1
1 560 . 14 1 1 A 48 48 LEU N N 48 127.100 127.833 -0.733 1
1 561 . 14 1 1 A 49 49 ASP H H 49 7.820 7.889 -0.069 1
1 562 . 14 1 1 A 49 49 ASP HA H 49 4.430 4.606 -0.176 1
1 565 . 14 1 1 A 49 49 ASP CA C 49 54.500 53.225 1.275 1
1 566 . 14 1 1 A 49 49 ASP CB C 49 40.100 42.626 -2.526 1
1 567 . 14 1 1 A 49 49 ASP N N 49 115.700 118.546 -2.846 1
1 568 . 14 1 1 A 50 50 GLN H H 50 7.770 8.435 -0.665 1
1 569 . 14 1 1 A 50 50 GLN HA H 50 3.880 4.604 -0.724 1
1 576 . 14 1 1 A 50 50 GLN CA C 50 56.000 55.235 0.765 1
1 577 . 14 1 1 A 50 50 GLN CB C 50 27.400 29.035 -1.635 1
1 579 . 14 1 1 A 50 50 GLN N N 50 115.300 121.164 -5.864 1
1 581 . 14 1 1 A 51 51 SER H H 51 6.370 7.484 -1.114 1
1 582 . 14 1 1 A 51 51 SER HA H 51 5.210 4.738 0.472 1
1 585 . 14 1 1 A 51 51 SER CA C 51 53.700 55.931 -2.231 1
1 586 . 14 1 1 A 51 51 SER CB C 51 66.100 64.279 1.821 1
1 587 . 14 1 1 A 51 51 SER N N 51 109.000 116.442 -7.442 1
1 588 . 14 1 1 A 52 52 PRO HA H 52 4.830 4.714 0.116 1
1 595 . 14 1 1 A 52 52 PRO CA C 52 64.000 63.954 0.046 1
1 596 . 14 1 1 A 52 52 PRO CB C 52 33.300 32.349 0.951 1
1 599 . 14 1 1 A 53 53 GLU H H 53 8.320 8.411 -0.091 1
1 600 . 14 1 1 A 53 53 GLU HA H 53 4.510 4.533 -0.023 1
1 605 . 14 1 1 A 53 53 GLU CA C 53 55.700 56.945 -1.245 1
1 606 . 14 1 1 A 53 53 GLU CB C 53 32.400 30.893 1.507 1
1 608 . 14 1 1 A 53 53 GLU N N 53 113.900 116.915 -3.015 1
1 609 . 14 1 1 A 54 54 HIS H H 54 7.070 7.842 -0.772 1
1 610 . 14 1 1 A 54 54 HIS HA H 54 4.750 5.297 -0.547 1
1 614 . 14 1 1 A 54 54 HIS CA C 54 54.100 54.456 -0.356 1
1 615 . 14 1 1 A 54 54 HIS CB C 54 31.100 33.843 -2.743 1
1 617 . 14 1 1 A 54 54 HIS N N 54 112.500 117.607 -5.107 1
1 618 . 14 1 1 A 55 55 PHE H H 55 7.900 8.446 -0.546 1
1 619 . 14 1 1 A 55 55 PHE HA H 55 5.580 5.715 -0.135 1
1 627 . 14 1 1 A 55 55 PHE CA C 55 55.400 55.096 0.304 1
1 628 . 14 1 1 A 55 55 PHE CB C 55 41.200 42.833 -1.633 1
1 632 . 14 1 1 A 55 55 PHE N N 55 114.900 119.025 -4.125 1
1 633 . 14 1 1 A 56 56 SER H H 56 7.690 8.685 -0.995 1
1 634 . 14 1 1 A 56 56 SER HA H 56 4.300 5.047 -0.747 1
1 637 . 14 1 1 A 56 56 SER CA C 56 57.800 57.664 0.136 1
1 638 . 14 1 1 A 56 56 SER CB C 56 65.300 66.034 -0.734 1
1 639 . 14 1 1 A 56 56 SER N N 56 112.900 116.257 -3.357 1
1 640 . 14 1 1 A 57 57 MET H H 57 8.750 9.158 -0.408 1
1 641 . 14 1 1 A 57 57 MET HA H 57 4.860 5.327 -0.467 1
1 649 . 14 1 1 A 57 57 MET CA C 57 54.400 54.289 0.111 1
1 650 . 14 1 1 A 57 57 MET CB C 57 36.000 34.827 1.173 1
1 653 . 14 1 1 A 57 57 MET N N 57 120.000 124.081 -4.081 1
1 654 . 14 1 1 A 58 58 ASP H H 58 10.180 8.505 1.675 1
1 655 . 14 1 1 A 58 58 ASP HA H 58 4.740 4.791 -0.051 1
1 658 . 14 1 1 A 58 58 ASP CA C 58 51.700 52.116 -0.416 1
1 659 . 14 1 1 A 58 58 ASP CB C 58 42.700 41.656 1.044 1
1 660 . 14 1 1 A 58 58 ASP N N 58 126.600 125.840 0.760 1
1 661 . 14 1 1 A 59 59 PRO HA H 59 4.400 4.271 0.129 1
1 668 . 14 1 1 A 59 59 PRO CA C 59 65.300 65.249 0.051 1
1 669 . 14 1 1 A 59 59 PRO CB C 59 32.300 31.964 0.336 1
1 672 . 14 1 1 A 60 60 ARG H H 60 8.520 8.633 -0.113 1
1 673 . 14 1 1 A 60 60 ARG HA H 60 4.120 4.019 0.101 1
1 680 . 14 1 1 A 60 60 ARG CA C 60 59.200 59.453 -0.253 1
1 681 . 14 1 1 A 60 60 ARG CB C 60 29.500 29.957 -0.457 1
1 684 . 14 1 1 A 60 60 ARG N N 60 118.700 119.088 -0.388 1
1 685 . 14 1 1 A 61 61 GLU H H 61 7.730 8.289 -0.559 1
1 686 . 14 1 1 A 61 61 GLU HA H 61 4.190 4.107 0.083 1
1 691 . 14 1 1 A 61 61 GLU CA C 61 59.000 59.191 -0.191 1
1 692 . 14 1 1 A 61 61 GLU CB C 61 30.200 29.305 0.895 1
1 694 . 14 1 1 A 61 61 GLU N N 61 119.800 119.679 0.121 1
1 695 . 14 1 1 A 62 62 GLN H H 62 8.220 7.993 0.227 1
1 696 . 14 1 1 A 62 62 GLN HA H 62 3.830 4.021 -0.191 1
1 703 . 14 1 1 A 62 62 GLN CA C 62 59.900 58.828 1.072 1
1 704 . 14 1 1 A 62 62 GLN CB C 62 29.000 28.397 0.603 1
1 706 . 14 1 1 A 62 62 GLN N N 62 118.700 119.664 -0.964 1
1 708 . 14 1 1 A 63 63 LEU H H 63 7.950 8.168 -0.218 1
1 709 . 14 1 1 A 63 63 LEU HA H 63 4.110 4.063 0.047 1
1 719 . 14 1 1 A 63 63 LEU CA C 63 58.000 58.054 -0.054 1
1 720 . 14 1 1 A 63 63 LEU CB C 63 41.400 41.541 -0.141 1
1 724 . 14 1 1 A 63 63 LEU N N 63 119.200 122.151 -2.951 1
1 725 . 14 1 1 A 64 64 THR H H 64 7.910 8.231 -0.321 1
1 726 . 14 1 1 A 64 64 THR HA H 64 3.790 3.918 -0.128 1
1 731 . 14 1 1 A 64 64 THR CA C 64 66.800 65.872 0.928 1
1 732 . 14 1 1 A 64 64 THR CB C 64 68.700 68.650 0.050 1
1 734 . 14 1 1 A 64 64 THR N N 64 116.000 114.339 1.661 1
1 735 . 14 1 1 A 65 65 ALA H H 65 7.520 7.531 -0.011 1
1 736 . 14 1 1 A 65 65 ALA HA H 65 3.970 3.754 0.216 1
1 740 . 14 1 1 A 65 65 ALA CA C 65 55.100 54.883 0.217 1
1 741 . 14 1 1 A 65 65 ALA CB C 65 17.900 18.082 -0.182 1
1 742 . 14 1 1 A 65 65 ALA N N 65 125.200 123.946 1.254 1
1 743 . 14 1 1 A 66 66 VAL H H 66 8.420 8.412 0.008 1
1 744 . 14 1 1 A 66 66 VAL HA H 66 3.840 3.385 0.455 1
1 752 . 14 1 1 A 66 66 VAL CA C 66 66.200 66.969 -0.769 1
1 753 . 14 1 1 A 66 66 VAL CB C 66 31.700 31.429 0.271 1
1 756 . 14 1 1 A 66 66 VAL N N 66 119.300 118.844 0.456 1
1 757 . 14 1 1 A 67 67 LYS H H 67 8.570 8.379 0.191 1
1 758 . 14 1 1 A 67 67 LYS HA H 67 3.960 3.920 0.040 1
1 767 . 14 1 1 A 67 67 LYS CA C 67 60.300 59.687 0.613 1
1 768 . 14 1 1 A 67 67 LYS CB C 67 32.200 32.311 -0.111 1
1 772 . 14 1 1 A 67 67 LYS N N 67 120.600 120.300 0.300 1
1 773 . 14 1 1 A 68 68 ASP H H 68 7.660 7.723 -0.063 1
1 774 . 14 1 1 A 68 68 ASP HA H 68 4.290 4.401 -0.111 1
1 777 . 14 1 1 A 68 68 ASP CA C 68 58.300 57.573 0.727 1
1 778 . 14 1 1 A 68 68 ASP CB C 68 42.700 40.846 1.854 1
1 779 . 14 1 1 A 68 68 ASP N N 68 121.500 119.454 2.046 1
1 780 . 14 1 1 A 69 69 MET H H 69 8.620 8.352 0.268 1
1 781 . 14 1 1 A 69 69 MET HA H 69 4.250 4.523 -0.273 1
1 789 . 14 1 1 A 69 69 MET CA C 69 60.300 58.796 1.504 1
1 790 . 14 1 1 A 69 69 MET CB C 69 32.700 32.223 0.477 1
1 793 . 14 1 1 A 69 69 MET N N 69 120.100 119.210 0.890 1
1 794 . 14 1 1 A 70 70 ARG H H 70 8.500 8.446 0.054 1
1 795 . 14 1 1 A 70 70 ARG HA H 70 4.110 4.307 -0.197 1
1 802 . 14 1 1 A 70 70 ARG CA C 70 59.200 58.480 0.720 1
1 803 . 14 1 1 A 70 70 ARG CB C 70 29.600 29.652 -0.052 1
1 806 . 14 1 1 A 70 70 ARG N N 70 119.000 118.357 0.643 1
1 807 . 14 1 1 A 71 71 LYS H H 71 8.020 7.726 0.294 1
1 808 . 14 1 1 A 71 71 LYS HA H 71 3.970 4.022 -0.052 1
1 817 . 14 1 1 A 71 71 LYS CA C 71 58.800 59.244 -0.444 1
1 818 . 14 1 1 A 71 71 LYS CB C 71 32.000 32.228 -0.228 1
1 822 . 14 1 1 A 71 71 LYS N N 71 121.100 119.808 1.292 1
1 823 . 14 1 1 A 72 72 ASN H H 72 6.960 7.228 -0.268 1
1 824 . 14 1 1 A 72 72 ASN HA H 72 4.090 4.632 -0.542 1
1 829 . 14 1 1 A 72 72 ASN CA C 72 53.300 52.868 0.432 1
1 830 . 14 1 1 A 72 72 ASN CB C 72 39.000 38.643 0.357 1
1 831 . 14 1 1 A 72 72 ASN N N 72 114.600 115.361 -0.761 1
1 833 . 14 1 1 A 73 73 GLY H H 73 7.560 7.530 0.030 1
1 834 . 14 1 1 A 73 73 GLY HA2 H 73 3.890 3.854 0.036 1
1 835 . 14 1 1 A 73 73 GLY HA3 H 73 3.760 3.956 -0.196 1
1 836 . 14 1 1 A 73 73 GLY CA C 73 45.900 45.166 0.734 1
1 837 . 14 1 1 A 73 73 GLY N N 73 106.700 106.730 -0.030 1
1 838 . 14 1 1 A 74 74 TRP H H 74 8.240 8.119 0.121 1
1 839 . 14 1 1 A 74 74 TRP HA H 74 5.260 5.024 0.236 1
1 848 . 14 1 1 A 74 74 TRP CA C 74 53.100 56.731 -3.631 1
1 849 . 14 1 1 A 74 74 TRP CB C 74 31.400 32.671 -1.271 1
1 855 . 14 1 1 A 74 74 TRP N N 74 120.700 119.867 0.833 1
1 857 . 14 1 1 A 75 75 VAL H H 75 9.410 9.517 -0.107 1
1 858 . 14 1 1 A 75 75 VAL HA H 75 4.800 4.882 -0.082 1
1 866 . 14 1 1 A 75 75 VAL CA C 75 58.500 59.138 -0.638 1
1 867 . 14 1 1 A 75 75 VAL CB C 75 35.500 35.411 0.089 1
1 870 . 14 1 1 A 75 75 VAL N N 75 112.100 115.753 -3.653 1
1 871 . 14 1 1 A 76 76 MET H H 76 8.800 8.784 0.016 1
1 872 . 14 1 1 A 76 76 MET HA H 76 4.650 4.631 0.019 1
1 880 . 14 1 1 A 76 76 MET CA C 76 56.900 55.459 1.441 1
1 881 . 14 1 1 A 76 76 MET CB C 76 32.600 33.064 -0.464 1
1 884 . 14 1 1 A 76 76 MET N N 76 122.400 122.964 -0.564 1
1 885 . 14 1 1 A 77 77 LEU H H 77 8.780 9.221 -0.441 1
1 886 . 14 1 1 A 77 77 LEU HA H 77 4.480 4.393 0.087 1
1 896 . 14 1 1 A 77 77 LEU CA C 77 54.100 56.065 -1.965 1
1 897 . 14 1 1 A 77 77 LEU CB C 77 44.700 42.905 1.795 1
1 901 . 14 1 1 A 77 77 LEU N N 77 125.600 127.759 -2.159 1
1 902 . 14 1 1 A 78 78 GLY H H 78 7.590 7.455 0.135 1
1 903 . 14 1 1 A 78 78 GLY HA2 H 78 5.150 4.003 1.147 1
1 904 . 14 1 1 A 78 78 GLY HA3 H 78 3.660 4.016 -0.356 1
1 905 . 14 1 1 A 78 78 GLY CA C 78 45.700 45.424 0.276 1
1 906 . 14 1 1 A 78 78 GLY N N 78 102.900 104.814 -1.914 1
1 907 . 14 1 1 A 79 79 ASN H H 79 8.520 8.258 0.262 1
1 908 . 14 1 1 A 79 79 ASN HA H 79 5.230 5.528 -0.298 1
1 913 . 14 1 1 A 79 79 ASN CA C 79 51.100 51.428 -0.328 1
1 914 . 14 1 1 A 79 79 ASN CB C 79 41.500 43.002 -1.502 1
1 915 . 14 1 1 A 79 79 ASN N N 79 115.600 116.621 -1.021 1
1 917 . 14 1 1 A 80 80 PHE H H 80 8.410 8.313 0.097 1
1 918 . 14 1 1 A 80 80 PHE HA H 80 6.120 5.819 0.301 1
1 926 . 14 1 1 A 80 80 PHE CA C 80 54.500 55.531 -1.031 1
1 927 . 14 1 1 A 80 80 PHE CB C 80 44.800 42.506 2.294 1
1 931 . 14 1 1 A 80 80 PHE N N 80 113.100 116.303 -3.203 1
1 932 . 14 1 1 A 81 81 HIS H H 81 8.310 8.938 -0.628 1
1 933 . 14 1 1 A 81 81 HIS HA H 81 5.300 5.958 -0.658 1
1 938 . 14 1 1 A 81 81 HIS CA C 81 54.400 54.451 -0.051 1
1 939 . 14 1 1 A 81 81 HIS CB C 81 30.300 32.273 -1.973 1
1 942 . 14 1 1 A 81 81 HIS N N 81 111.600 115.617 -4.017 1
1 943 . 14 1 1 A 82 82 SER H H 82 8.390 8.505 -0.115 1
1 944 . 14 1 1 A 82 82 SER HA H 82 5.510 5.422 0.088 1
1 947 . 14 1 1 A 82 82 SER CA C 82 54.800 57.013 -2.213 1
1 948 . 14 1 1 A 82 82 SER CB C 82 66.700 65.585 1.115 1
1 949 . 14 1 1 A 82 82 SER N N 82 112.700 116.456 -3.756 1
1 950 . 14 1 1 A 83 83 HIS H H 83 8.890 8.956 -0.066 1
1 951 . 14 1 1 A 83 83 HIS HA H 83 5.480 4.917 0.563 1
1 956 . 14 1 1 A 83 83 HIS CA C 83 49.900 54.084 -4.184 1
1 957 . 14 1 1 A 83 83 HIS CB C 83 32.000 31.195 0.805 1
1 960 . 14 1 1 A 83 83 HIS N N 83 115.200 123.374 -8.174 1
1 961 . 14 1 1 A 84 84 PRO HA H 84 3.940 4.437 -0.497 1
1 968 . 14 1 1 A 84 84 PRO CA C 84 65.600 65.096 0.504 1
1 969 . 14 1 1 A 84 84 PRO CB C 84 33.300 32.152 1.148 1
1 972 . 14 1 1 A 85 85 ALA H H 85 8.410 8.346 0.064 1
1 973 . 14 1 1 A 85 85 ALA HA H 85 4.670 4.476 0.194 1
1 977 . 14 1 1 A 85 85 ALA CA C 85 51.300 51.941 -0.641 1
1 978 . 14 1 1 A 85 85 ALA CB C 85 21.200 19.500 1.700 1
1 979 . 14 1 1 A 85 85 ALA N N 85 112.800 118.684 -5.884 1
1 980 . 14 1 1 A 86 86 THR H H 86 7.070 7.556 -0.486 1
1 981 . 14 1 1 A 86 86 THR HA H 86 4.960 5.047 -0.087 1
1 986 . 14 1 1 A 86 86 THR CA C 86 58.600 58.568 0.032 1
1 987 . 14 1 1 A 86 86 THR CB C 86 69.500 70.647 -1.147 1
1 989 . 14 1 1 A 86 86 THR N N 86 109.200 109.565 -0.365 1
1 990 . 14 1 1 A 87 87 PRO HA H 87 4.630 5.092 -0.462 1
1 997 . 14 1 1 A 87 87 PRO CA C 87 62.700 62.357 0.343 1
1 998 . 14 1 1 A 87 87 PRO CB C 87 33.500 33.043 0.457 1
1 1001 . 14 1 1 A 88 88 ALA H H 88 9.760 8.307 1.453 1
1 1002 . 14 1 1 A 88 88 ALA HA H 88 3.960 4.586 -0.626 1
1 1006 . 14 1 1 A 88 88 ALA CA C 88 51.700 51.385 0.315 1
1 1007 . 14 1 1 A 88 88 ALA CB C 88 16.300 20.043 -3.743 1
1 1008 . 14 1 1 A 88 88 ALA N N 88 127.600 122.223 5.377 1
1 1009 . 14 1 1 A 89 89 ARG H H 89 7.570 8.475 -0.905 1
1 1010 . 14 1 1 A 89 89 ARG HA H 89 4.280 3.264 1.016 1
1 1017 . 14 1 1 A 89 89 ARG CA C 89 53.200 56.853 -3.653 1
1 1018 . 14 1 1 A 89 89 ARG CB C 89 31.300 29.089 2.211 1
1 1021 . 14 1 1 A 89 89 ARG N N 89 118.300 115.054 3.246 1
1 1022 . 14 1 1 A 90 90 PRO HA H 90 4.510 4.623 -0.113 1
1 1029 . 14 1 1 A 90 90 PRO CA C 90 62.900 62.719 0.181 1
1 1030 . 14 1 1 A 90 90 PRO CB C 90 31.300 31.585 -0.285 1
1 1033 . 14 1 1 A 91 91 SER H H 91 9.630 8.662 0.968 1
1 1034 . 14 1 1 A 91 91 SER HA H 91 4.600 4.609 -0.009 1
1 1037 . 14 1 1 A 91 91 SER CA C 91 56.500 56.858 -0.358 1
1 1038 . 14 1 1 A 91 91 SER CB C 91 66.000 64.818 1.182 1
1 1039 . 14 1 1 A 91 91 SER N N 91 122.500 117.942 4.558 1
1 1040 . 14 1 1 A 92 92 ALA H H 92 8.910 8.861 0.049 1
1 1041 . 14 1 1 A 92 92 ALA HA H 92 3.980 3.961 0.019 1
1 1045 . 14 1 1 A 92 92 ALA CA C 92 55.900 55.323 0.577 1
1 1046 . 14 1 1 A 92 92 ALA CB C 92 17.800 18.038 -0.238 1
1 1047 . 14 1 1 A 92 92 ALA N N 92 123.000 126.625 -3.625 1
1 1048 . 14 1 1 A 93 93 GLU H H 93 8.370 8.010 0.360 1
1 1049 . 14 1 1 A 93 93 GLU HA H 93 4.070 3.941 0.129 1
1 1054 . 14 1 1 A 93 93 GLU CA C 93 58.900 59.592 -0.692 1
1 1055 . 14 1 1 A 93 93 GLU CB C 93 28.800 29.878 -1.078 1
1 1057 . 14 1 1 A 93 93 GLU N N 93 118.800 117.846 0.954 1
1 1058 . 14 1 1 A 94 94 ASP H H 94 7.770 8.235 -0.465 1
1 1059 . 14 1 1 A 94 94 ASP HA H 94 4.260 4.255 0.005 1
1 1062 . 14 1 1 A 94 94 ASP CA C 94 57.100 57.363 -0.263 1
1 1063 . 14 1 1 A 94 94 ASP CB C 94 40.200 42.036 -1.836 1
1 1064 . 14 1 1 A 94 94 ASP N N 94 119.200 119.440 -0.240 1
1 1065 . 14 1 1 A 95 95 LYS H H 95 7.830 8.358 -0.528 1
1 1066 . 14 1 1 A 95 95 LYS HA H 95 3.720 3.810 -0.090 1
1 1075 . 14 1 1 A 95 95 LYS CA C 95 59.500 59.366 0.134 1
1 1076 . 14 1 1 A 95 95 LYS CB C 95 31.900 32.391 -0.491 1
1 1080 . 14 1 1 A 95 95 LYS N N 95 116.400 119.525 -3.125 1
1 1081 . 14 1 1 A 96 96 ARG H H 96 7.570 7.225 0.345 1
1 1082 . 14 1 1 A 96 96 ARG HA H 96 3.940 3.954 -0.014 1
1 1089 . 14 1 1 A 96 96 ARG CA C 96 58.500 57.955 0.545 1
1 1090 . 14 1 1 A 96 96 ARG CB C 96 30.100 30.320 -0.220 1
1 1093 . 14 1 1 A 96 96 ARG N N 96 119.400 119.443 -0.043 1
1 1094 . 14 1 1 A 97 97 LEU H H 97 7.270 7.120 0.150 1
1 1095 . 14 1 1 A 97 97 LEU HA H 97 4.030 4.143 -0.113 1
1 1105 . 14 1 1 A 97 97 LEU CA C 97 54.400 54.073 0.327 1
1 1106 . 14 1 1 A 97 97 LEU CB C 97 41.600 41.168 0.432 1
1 1110 . 14 1 1 A 97 97 LEU N N 97 116.100 117.296 -1.196 1
1 1111 . 14 1 1 A 98 98 ALA H H 98 6.950 6.760 0.190 1
1 1112 . 14 1 1 A 98 98 ALA HA H 98 4.230 4.391 -0.161 1
1 1116 . 14 1 1 A 98 98 ALA CA C 98 50.800 50.187 0.613 1
1 1117 . 14 1 1 A 98 98 ALA CB C 98 16.700 20.613 -3.913 1
1 1118 . 14 1 1 A 98 98 ALA N N 98 124.800 121.965 2.835 1
1 1119 . 14 1 1 A 99 99 PHE H H 99 7.630 8.954 -1.324 1
1 1120 . 14 1 1 A 99 99 PHE HA H 99 4.490 4.762 -0.272 1
1 1128 . 14 1 1 A 99 99 PHE CA C 99 58.200 58.135 0.065 1
1 1129 . 14 1 1 A 99 99 PHE CB C 99 39.500 41.002 -1.502 1
1 1133 . 14 1 1 A 99 99 PHE N N 99 120.400 121.801 -1.401 1
1 1134 . 14 1 1 A 100 100 ASP H H 100 7.320 8.020 -0.700 1
1 1135 . 14 1 1 A 100 100 ASP HA H 100 5.240 5.113 0.127 1
1 1138 . 14 1 1 A 100 100 ASP CA C 100 49.900 50.773 -0.873 1
1 1139 . 14 1 1 A 100 100 ASP CB C 100 42.200 42.084 0.116 1
1 1140 . 14 1 1 A 100 100 ASP N N 100 118.200 120.304 -2.104 1
1 1141 . 14 1 1 A 101 101 PRO HA H 101 5.040 4.849 0.191 1
1 1148 . 14 1 1 A 101 101 PRO CA C 101 64.200 64.134 0.066 1
1 1149 . 14 1 1 A 101 101 PRO CB C 101 32.800 31.837 0.963 1
1 1152 . 14 1 1 A 102 102 SER H H 102 8.950 8.493 0.457 1
1 1153 . 14 1 1 A 102 102 SER HA H 102 4.530 4.403 0.127 1
1 1156 . 14 1 1 A 102 102 SER CA C 102 59.300 59.633 -0.333 1
1 1157 . 14 1 1 A 102 102 SER CB C 102 64.500 64.349 0.151 1
1 1158 . 14 1 1 A 102 102 SER N N 102 117.700 112.908 4.792 1
1 1159 . 14 1 1 A 103 103 LEU H H 103 6.850 7.449 -0.599 1
1 1160 . 14 1 1 A 103 103 LEU HA H 103 4.200 4.668 -0.468 1
1 1170 . 14 1 1 A 103 103 LEU CA C 103 53.700 53.169 0.531 1
1 1171 . 14 1 1 A 103 103 LEU CB C 103 41.800 44.495 -2.695 1
1 1175 . 14 1 1 A 103 103 LEU N N 103 121.100 120.688 0.412 1
1 1176 . 14 1 1 A 104 104 SER H H 104 8.080 8.727 -0.647 1
1 1177 . 14 1 1 A 104 104 SER HA H 104 4.310 5.114 -0.804 1
1 1180 . 14 1 1 A 104 104 SER CA C 104 60.300 56.572 3.728 1
1 1181 . 14 1 1 A 104 104 SER CB C 104 63.300 64.549 -1.249 1
1 1182 . 14 1 1 A 104 104 SER N N 104 116.100 116.774 -0.674 1
1 1183 . 14 1 1 A 105 105 TYR H H 105 8.790 9.361 -0.571 1
1 1184 . 14 1 1 A 105 105 TYR HA H 105 4.750 5.244 -0.494 1
1 1191 . 14 1 1 A 105 105 TYR CA C 105 57.100 56.704 0.396 1
1 1192 . 14 1 1 A 105 105 TYR CB C 105 37.700 38.664 -0.964 1
1 1195 . 14 1 1 A 105 105 TYR N N 105 122.700 126.569 -3.869 1
1 1196 . 14 1 1 A 106 106 LEU H H 106 8.750 8.883 -0.133 1
1 1197 . 14 1 1 A 106 106 LEU HA H 106 5.290 4.749 0.541 1
1 1207 . 14 1 1 A 106 106 LEU CA C 106 56.000 54.729 1.271 1
1 1208 . 14 1 1 A 106 106 LEU CB C 106 43.400 42.521 0.879 1
1 1212 . 14 1 1 A 106 106 LEU N N 106 125.200 125.752 -0.552 1
1 1213 . 14 1 1 A 107 107 ILE H H 107 9.480 8.666 0.814 1
1 1214 . 14 1 1 A 107 107 ILE HA H 107 4.630 4.872 -0.242 1
1 1224 . 14 1 1 A 107 107 ILE CA C 107 59.700 59.983 -0.283 1
1 1225 . 14 1 1 A 107 107 ILE CB C 107 40.500 40.530 -0.030 1
1 1229 . 14 1 1 A 107 107 ILE N N 107 123.800 123.531 0.269 1
1 1230 . 14 1 1 A 108 108 ILE H H 108 7.820 8.978 -1.158 1
1 1231 . 14 1 1 A 108 108 ILE HA H 108 4.950 5.097 -0.147 1
1 1241 . 14 1 1 A 108 108 ILE CA C 108 58.600 59.854 -1.254 1
1 1242 . 14 1 1 A 108 108 ILE CB C 108 41.700 40.210 1.490 1
1 1246 . 14 1 1 A 108 108 ILE N N 108 125.200 129.703 -4.503 1
1 1247 . 14 1 1 A 109 109 SER H H 109 9.780 8.882 0.898 1
1 1248 . 14 1 1 A 109 109 SER HA H 109 5.430 5.095 0.335 1
1 1251 . 14 1 1 A 109 109 SER CA C 109 56.400 56.427 -0.027 1
1 1252 . 14 1 1 A 109 109 SER CB C 109 64.900 64.619 0.281 1
1 1253 . 14 1 1 A 109 109 SER N N 109 120.300 121.504 -1.204 1
1 1254 . 14 1 1 A 110 110 LEU H H 110 8.110 9.184 -1.074 1
1 1255 . 14 1 1 A 110 110 LEU HA H 110 4.630 4.561 0.069 1
1 1265 . 14 1 1 A 110 110 LEU CA C 110 53.300 54.628 -1.328 1
1 1266 . 14 1 1 A 110 110 LEU CB C 110 41.100 41.576 -0.476 1
1 1270 . 14 1 1 A 110 110 LEU N N 110 130.700 129.747 0.953 1
1 1271 . 14 1 1 A 111 111 ALA H H 111 7.390 7.701 -0.311 1
1 1272 . 14 1 1 A 111 111 ALA HA H 111 3.920 4.555 -0.635 1
1 1276 . 14 1 1 A 111 111 ALA CA C 111 55.200 53.571 1.629 1
1 1277 . 14 1 1 A 111 111 ALA CB C 111 17.900 18.790 -0.890 1
1 1278 . 14 1 1 A 111 111 ALA N N 111 121.000 122.591 -1.591 1
1 1279 . 14 1 1 A 112 112 GLU H H 112 8.290 7.783 0.507 1
1 1280 . 14 1 1 A 112 112 GLU HA H 112 4.830 4.668 0.162 1
1 1285 . 14 1 1 A 112 112 GLU CA C 112 52.600 54.105 -1.505 1
1 1286 . 14 1 1 A 112 112 GLU CB C 112 29.300 30.162 -0.862 1
1 1288 . 14 1 1 A 112 112 GLU N N 112 116.400 117.167 -0.767 1
1 1289 . 14 1 1 A 113 113 PRO HA H 113 3.940 4.422 -0.482 1
1 1296 . 14 1 1 A 113 113 PRO CA C 113 65.600 64.167 1.433 1
1 1297 . 14 1 1 A 113 113 PRO CB C 113 31.900 31.920 -0.020 1
1 1300 . 14 1 1 A 114 114 GLN H H 114 8.610 8.766 -0.156 1
1 1301 . 14 1 1 A 114 114 GLN HA H 114 4.250 4.080 0.170 1
1 1308 . 14 1 1 A 114 114 GLN CA C 114 56.100 58.374 -2.274 1
1 1309 . 14 1 1 A 114 114 GLN CB C 114 28.300 29.220 -0.920 1
1 1311 . 14 1 1 A 114 114 GLN N N 114 113.500 118.160 -4.660 1
1 1313 . 14 1 1 A 115 115 LYS H H 115 8.040 7.363 0.677 1
1 1314 . 14 1 1 A 115 115 LYS HA H 115 4.620 4.732 -0.112 1
1 1323 . 14 1 1 A 115 115 LYS CA C 115 53.500 53.707 -0.207 1
1 1324 . 14 1 1 A 115 115 LYS CB C 115 33.400 33.310 0.090 1
1 1328 . 14 1 1 A 115 115 LYS N N 115 121.000 119.296 1.704 1
1 1329 . 14 1 1 A 116 116 PRO HA H 116 4.560 4.406 0.154 1
1 1336 . 14 1 1 A 116 116 PRO CA C 116 62.900 63.090 -0.190 1
1 1337 . 14 1 1 A 116 116 PRO CB C 116 32.500 32.154 0.346 1
1 1340 . 14 1 1 A 117 117 VAL H H 117 7.850 7.960 -0.110 1
1 1341 . 14 1 1 A 117 117 VAL HA H 117 4.360 4.177 0.183 1
1 1349 . 14 1 1 A 117 117 VAL CA C 117 61.200 61.828 -0.628 1
1 1350 . 14 1 1 A 117 117 VAL CB C 117 35.900 31.270 4.630 1
1 1353 . 14 1 1 A 117 117 VAL N N 117 120.600 122.852 -2.252 1
1 1354 . 14 1 1 A 118 118 CYS H H 118 8.820 8.929 -0.109 1
1 1355 . 14 1 1 A 118 118 CYS HA H 118 5.340 5.088 0.252 1
1 1358 . 14 1 1 A 118 118 CYS CA C 118 56.400 56.871 -0.471 1
1 1359 . 14 1 1 A 118 118 CYS CB C 118 28.700 30.159 -1.459 1
1 1360 . 14 1 1 A 118 118 CYS N N 118 127.100 127.782 -0.682 1
1 1361 . 14 1 1 A 119 119 LYS H H 119 8.530 8.320 0.210 1
1 1362 . 14 1 1 A 119 119 LYS HA H 119 4.590 4.768 -0.178 1
1 1371 . 14 1 1 A 119 119 LYS CA C 119 54.900 54.501 0.399 1
1 1372 . 14 1 1 A 119 119 LYS CB C 119 39.600 36.776 2.824 1
1 1376 . 14 1 1 A 119 119 LYS N N 119 126.400 127.139 -0.739 1
1 1377 . 14 1 1 A 120 120 SER H H 120 8.220 8.161 0.059 1
1 1378 . 14 1 1 A 120 120 SER HA H 120 4.870 4.766 0.104 1
1 1381 . 14 1 1 A 120 120 SER CA C 120 56.300 57.426 -1.126 1
1 1382 . 14 1 1 A 120 120 SER CB C 120 63.300 63.973 -0.673 1
1 1383 . 14 1 1 A 120 120 SER N N 120 114.500 117.700 -3.200 1
1 1384 . 14 1 1 A 121 121 PHE H H 121 8.450 9.452 -1.002 1
1 1385 . 14 1 1 A 121 121 PHE HA H 121 5.160 5.170 -0.010 1
1 1393 . 14 1 1 A 121 121 PHE CA C 121 57.200 56.418 0.782 1
1 1394 . 14 1 1 A 121 121 PHE CB C 121 42.700 41.282 1.418 1
1 1398 . 14 1 1 A 121 121 PHE N N 121 124.400 125.589 -1.189 1
1 1399 . 14 1 1 A 122 122 LEU H H 122 9.070 9.659 -0.589 1
1 1400 . 14 1 1 A 122 122 LEU HA H 122 5.270 4.997 0.273 1
1 1410 . 14 1 1 A 122 122 LEU CA C 122 53.300 53.901 -0.601 1
1 1411 . 14 1 1 A 122 122 LEU CB C 122 42.200 42.119 0.081 1
1 1415 . 14 1 1 A 122 122 LEU N N 122 120.900 124.065 -3.165 1
1 1416 . 14 1 1 A 123 123 ILE H H 123 9.730 9.324 0.406 1
1 1417 . 14 1 1 A 123 123 ILE HA H 123 4.290 4.573 -0.283 1
1 1427 . 14 1 1 A 123 123 ILE CA C 123 61.400 60.705 0.695 1
1 1428 . 14 1 1 A 123 123 ILE CB C 123 38.000 37.836 0.164 1
1 1432 . 14 1 1 A 123 123 ILE N N 123 125.900 125.754 0.146 1
1 1433 . 14 1 1 A 124 124 LYS H H 124 8.080 9.225 -1.145 1
1 1434 . 14 1 1 A 124 124 LYS HA H 124 4.720 4.706 0.014 1
1 1443 . 14 1 1 A 124 124 LYS CA C 124 54.100 54.840 -0.740 1
1 1444 . 14 1 1 A 124 124 LYS CB C 124 34.700 34.869 -0.169 1
1 1448 . 14 1 1 A 124 124 LYS N N 124 124.600 127.501 -2.901 1
1 1449 . 14 1 1 A 125 125 LYS H H 125 8.830 9.033 -0.203 1
1 1450 . 14 1 1 A 125 125 LYS HA H 125 4.000 3.925 0.075 1
1 1459 . 14 1 1 A 125 125 LYS CA C 125 59.000 59.944 -0.944 1
1 1460 . 14 1 1 A 125 125 LYS CB C 125 31.700 32.238 -0.538 1
1 1464 . 14 1 1 A 125 125 LYS N N 125 120.900 123.806 -2.906 1
1 1465 . 14 1 1 A 126 126 ASP H H 126 8.160 7.788 0.372 1
1 1466 . 14 1 1 A 126 126 ASP HA H 126 4.650 4.435 0.215 1
1 1469 . 14 1 1 A 126 126 ASP CA C 126 53.100 56.453 -3.353 1
1 1470 . 14 1 1 A 126 126 ASP CB C 126 40.300 41.840 -1.540 1
1 1471 . 14 1 1 A 126 126 ASP N N 126 113.200 118.901 -5.701 1
1 1472 . 14 1 1 A 127 127 GLY H H 127 7.370 7.349 0.021 1
1 1473 . 14 1 1 A 127 127 GLY HA2 H 127 4.300 4.074 0.226 1
1 1474 . 14 1 1 A 127 127 GLY HA3 H 127 3.900 4.084 -0.184 1
1 1475 . 14 1 1 A 127 127 GLY CA C 127 45.200 46.113 -0.913 1
1 1476 . 14 1 1 A 127 127 GLY N N 127 107.600 103.247 4.353 1
1 1477 . 14 1 1 A 128 128 VAL H H 128 8.130 8.449 -0.319 1
1 1478 . 14 1 1 A 128 128 VAL HA H 128 4.900 5.092 -0.192 1
1 1486 . 14 1 1 A 128 128 VAL CA C 128 60.900 60.224 0.676 1
1 1487 . 14 1 1 A 128 128 VAL CB C 128 34.000 34.190 -0.190 1
1 1490 . 14 1 1 A 128 128 VAL N N 128 118.900 119.918 -1.018 1
1 1491 . 14 1 1 A 129 129 ASP H H 129 9.250 9.300 -0.050 1
1 1492 . 14 1 1 A 129 129 ASP HA H 129 5.220 5.470 -0.250 1
1 1495 . 14 1 1 A 129 129 ASP CA C 129 52.300 52.598 -0.298 1
1 1496 . 14 1 1 A 129 129 ASP CB C 129 43.600 44.414 -0.814 1
1 1497 . 14 1 1 A 129 129 ASP N N 129 126.500 128.206 -1.706 1
1 1498 . 14 1 1 A 130 130 GLU H H 130 8.900 8.917 -0.017 1
1 1499 . 14 1 1 A 130 130 GLU HA H 130 4.420 4.642 -0.222 1
1 1504 . 14 1 1 A 130 130 GLU CA C 130 56.400 55.915 0.485 1
1 1505 . 14 1 1 A 130 130 GLU CB C 130 29.800 30.212 -0.412 1
1 1507 . 14 1 1 A 130 130 GLU N N 130 124.000 125.313 -1.313 1
1 1508 . 14 1 1 A 131 131 GLU H H 131 8.860 8.968 -0.108 1
1 1509 . 14 1 1 A 131 131 GLU HA H 131 4.430 4.865 -0.435 1
1 1514 . 14 1 1 A 131 131 GLU CA C 131 53.500 54.528 -1.028 1
1 1515 . 14 1 1 A 131 131 GLU CB C 131 32.500 33.171 -0.671 1
1 1517 . 14 1 1 A 131 131 GLU N N 131 129.200 125.243 3.957 1
1 1518 . 14 1 1 A 132 132 GLU H H 132 8.610 8.738 -0.128 1
1 1519 . 14 1 1 A 132 132 GLU HA H 132 4.050 5.021 -0.971 1
1 1524 . 14 1 1 A 132 132 GLU CA C 132 57.100 55.144 1.956 1
1 1525 . 14 1 1 A 132 132 GLU CB C 132 30.100 32.280 -2.180 1
1 1527 . 14 1 1 A 132 132 GLU N N 132 126.400 123.906 2.494 1
1 1528 . 14 1 1 A 133 133 ILE H H 133 8.200 8.806 -0.606 1
1 1529 . 14 1 1 A 133 133 ILE HA H 133 4.740 4.855 -0.115 1
1 1539 . 14 1 1 A 133 133 ILE CA C 133 60.000 59.471 0.529 1
1 1540 . 14 1 1 A 133 133 ILE CB C 133 39.300 39.152 0.148 1
1 1544 . 14 1 1 A 133 133 ILE N N 133 124.500 126.507 -2.007 1
1 1545 . 14 1 1 A 134 134 ILE H H 134 9.000 9.136 -0.136 1
1 1546 . 14 1 1 A 134 134 ILE HA H 134 4.190 4.806 -0.616 1
1 1556 . 14 1 1 A 134 134 ILE CA C 134 59.000 59.616 -0.616 1
1 1557 . 14 1 1 A 134 134 ILE CB C 134 38.300 38.565 -0.265 1
1 1561 . 14 1 1 A 134 134 ILE N N 134 130.900 128.155 2.745 1
1 1562 . 14 1 1 A 135 135 LEU H H 135 8.360 9.141 -0.781 1
1 1563 . 14 1 1 A 135 135 LEU HA H 135 5.190 5.598 -0.408 1
1 1573 . 14 1 1 A 135 135 LEU CA C 135 52.700 53.096 -0.396 1
1 1574 . 14 1 1 A 135 135 LEU CB C 135 42.800 44.076 -1.276 1
1 1578 . 14 1 1 A 135 135 LEU N N 135 127.100 128.164 -1.064 1
1 1579 . 14 1 1 A 136 136 LYS H H 136 8.790 8.407 0.383 1
1 1580 . 14 1 1 A 136 136 LYS HA H 136 4.330 4.679 -0.349 1
1 1589 . 14 1 1 A 136 136 LYS CA C 136 55.600 54.257 1.343 1
1 1590 . 14 1 1 A 136 136 LYS CB C 136 34.600 34.883 -0.283 1
1 1594 . 14 1 1 A 136 136 LYS N N 136 125.100 123.156 1.944 1
1 1595 . 14 1 1 A 137 137 GLU H H 137 8.850 8.597 0.253 1
1 1596 . 14 1 1 A 137 137 GLU HA H 137 4.240 4.247 -0.007 1
1 1601 . 14 1 1 A 137 137 GLU CA C 137 57.600 57.922 -0.322 1
1 1602 . 14 1 1 A 137 137 GLU CB C 137 29.900 30.630 -0.730 1
1 1604 . 14 1 1 A 137 137 GLU N N 137 121.100 121.662 -0.562 1
1 1605 . 14 1 1 A 138 138 GLU H H 138 8.150 7.681 0.469 1
1 1606 . 14 1 1 A 138 138 GLU HA H 138 4.370 4.795 -0.425 1
1 1611 . 14 1 1 A 138 138 GLU CA C 138 55.800 54.820 0.980 1
1 1612 . 14 1 1 A 138 138 GLU CB C 138 30.700 32.853 -2.153 1
1 1614 . 14 1 1 A 138 138 GLU N N 138 119.300 120.671 -1.371 1
1 1615 . 14 1 1 A 139 139 LEU H H 139 8.240 8.370 -0.130 1
1 1616 . 14 1 1 A 139 139 LEU HA H 139 4.180 4.229 -0.049 1
1 1626 . 14 1 1 A 139 139 LEU CA C 139 55.400 55.278 0.122 1
1 1627 . 14 1 1 A 139 139 LEU CB C 139 42.300 42.072 0.228 1
1 1631 . 14 1 1 A 139 139 LEU N N 139 122.800 124.876 -2.076 1
1 1632 . 14 1 1 A 140 140 GLU H H 140 8.250 8.590 -0.340 1
1 1633 . 14 1 1 A 140 140 GLU HA H 140 4.150 4.125 0.025 1
1 1638 . 14 1 1 A 140 140 GLU CA C 140 56.400 57.049 -0.649 1
1 1639 . 14 1 1 A 140 140 GLU CB C 140 29.900 29.858 0.042 1
1 1641 . 14 1 1 A 140 140 GLU N N 140 120.700 121.225 -0.525 1
1 1642 . 14 1 1 A 141 141 HIS H H 141 8.400 8.549 -0.149 1
1 13 . 15 1 1 A 2 2 ILE H H 2 8.780 8.843 -0.063 1
1 14 . 15 1 1 A 2 2 ILE HA H 2 5.060 4.813 0.247 1
1 24 . 15 1 1 A 2 2 ILE CA C 2 58.500 59.476 -0.976 1
1 25 . 15 1 1 A 2 2 ILE CB C 2 41.300 40.514 0.786 1
1 29 . 15 1 1 A 2 2 ILE N N 2 124.600 123.011 1.589 1
1 30 . 15 1 1 A 3 3 THR H H 3 8.280 9.084 -0.804 1
1 31 . 15 1 1 A 3 3 THR HA H 3 5.350 5.149 0.201 1
1 36 . 15 1 1 A 3 3 THR CA C 3 60.900 62.243 -1.343 1
1 37 . 15 1 1 A 3 3 THR CB C 3 69.900 69.630 0.270 1
1 39 . 15 1 1 A 3 3 THR N N 3 123.200 125.601 -2.401 1
1 40 . 15 1 1 A 4 4 LEU H H 4 8.710 9.033 -0.323 1
1 41 . 15 1 1 A 4 4 LEU HA H 4 5.040 5.119 -0.079 1
1 51 . 15 1 1 A 4 4 LEU CA C 4 53.800 53.335 0.465 1
1 52 . 15 1 1 A 4 4 LEU CB C 4 45.800 45.760 0.040 1
1 56 . 15 1 1 A 4 4 LEU N N 4 127.600 123.151 4.449 1
1 57 . 15 1 1 A 5 5 THR H H 5 8.440 8.401 0.039 1
1 58 . 15 1 1 A 5 5 THR HA H 5 5.040 5.164 -0.124 1
1 63 . 15 1 1 A 5 5 THR CA C 5 59.300 60.304 -1.004 1
1 64 . 15 1 1 A 5 5 THR CB C 5 71.000 71.508 -0.508 1
1 66 . 15 1 1 A 5 5 THR N N 5 109.500 111.829 -2.329 1
1 67 . 15 1 1 A 6 6 LYS H H 6 8.730 9.432 -0.702 1
1 68 . 15 1 1 A 6 6 LYS HA H 6 3.810 3.935 -0.125 1
1 77 . 15 1 1 A 6 6 LYS CA C 6 60.000 60.371 -0.371 1
1 78 . 15 1 1 A 6 6 LYS CB C 6 32.000 31.945 0.055 1
1 82 . 15 1 1 A 6 6 LYS N N 6 121.500 121.607 -0.107 1
1 83 . 15 1 1 A 7 7 LYS H H 7 8.290 7.906 0.384 1
1 84 . 15 1 1 A 7 7 LYS HA H 7 3.990 3.914 0.076 1
1 93 . 15 1 1 A 7 7 LYS CA C 7 59.200 59.409 -0.209 1
1 94 . 15 1 1 A 7 7 LYS CB C 7 32.400 31.866 0.534 1
1 98 . 15 1 1 A 7 7 LYS N N 7 118.800 120.090 -1.290 1
1 99 . 15 1 1 A 8 8 GLN H H 8 7.650 7.796 -0.146 1
1 100 . 15 1 1 A 8 8 GLN HA H 8 3.890 3.955 -0.065 1
1 107 . 15 1 1 A 8 8 GLN CA C 8 58.100 59.155 -1.055 1
1 108 . 15 1 1 A 8 8 GLN CB C 8 27.400 28.809 -1.409 1
1 110 . 15 1 1 A 8 8 GLN N N 8 119.800 118.020 1.780 1
1 112 . 15 1 1 A 9 9 MET H H 9 8.130 7.955 0.175 1
1 113 . 15 1 1 A 9 9 MET HA H 9 4.130 3.951 0.179 1
1 121 . 15 1 1 A 9 9 MET CA C 9 57.500 58.221 -0.721 1
1 122 . 15 1 1 A 9 9 MET CB C 9 30.900 31.900 -1.000 1
1 125 . 15 1 1 A 9 9 MET N N 9 118.300 119.692 -1.392 1
1 126 . 15 1 1 A 10 10 GLU H H 10 8.460 8.210 0.250 1
1 127 . 15 1 1 A 10 10 GLU HA H 10 3.890 3.944 -0.054 1
1 132 . 15 1 1 A 10 10 GLU CA C 10 59.100 59.559 -0.459 1
1 133 . 15 1 1 A 10 10 GLU CB C 10 28.500 29.270 -0.770 1
1 135 . 15 1 1 A 10 10 GLU N N 10 118.500 117.993 0.507 1
1 136 . 15 1 1 A 11 11 GLU H H 11 8.200 8.692 -0.492 1
1 137 . 15 1 1 A 11 11 GLU HA H 11 4.070 4.038 0.032 1
1 142 . 15 1 1 A 11 11 GLU CA C 11 59.200 59.279 -0.079 1
1 143 . 15 1 1 A 11 11 GLU CB C 11 28.900 29.276 -0.376 1
1 145 . 15 1 1 A 11 11 GLU N N 11 120.800 120.446 0.354 1
1 146 . 15 1 1 A 12 12 MET H H 12 7.780 8.251 -0.471 1
1 147 . 15 1 1 A 12 12 MET HA H 12 3.390 4.077 -0.687 1
1 155 . 15 1 1 A 12 12 MET CA C 12 60.600 58.463 2.137 1
1 156 . 15 1 1 A 12 12 MET CB C 12 33.900 33.011 0.889 1
1 159 . 15 1 1 A 12 12 MET N N 12 119.300 119.207 0.093 1
1 160 . 15 1 1 A 13 13 LEU H H 13 8.340 8.796 -0.456 1
1 161 . 15 1 1 A 13 13 LEU HA H 13 3.770 3.966 -0.196 1
1 171 . 15 1 1 A 13 13 LEU CA C 13 58.000 57.937 0.063 1
1 172 . 15 1 1 A 13 13 LEU CB C 13 41.400 41.546 -0.146 1
1 176 . 15 1 1 A 13 13 LEU N N 13 118.600 119.723 -1.123 1
1 177 . 15 1 1 A 14 14 ALA H H 14 8.620 8.591 0.029 1
1 178 . 15 1 1 A 14 14 ALA HA H 14 4.100 4.089 0.011 1
1 182 . 15 1 1 A 14 14 ALA CA C 14 55.200 55.262 -0.062 1
1 183 . 15 1 1 A 14 14 ALA CB C 14 17.800 18.146 -0.346 1
1 184 . 15 1 1 A 14 14 ALA N N 14 121.500 121.273 0.227 1
1 185 . 15 1 1 A 15 15 HIS H H 15 7.780 7.797 -0.017 1
1 186 . 15 1 1 A 15 15 HIS HA H 15 4.460 4.267 0.193 1
1 190 . 15 1 1 A 15 15 HIS CA C 15 59.000 59.636 -0.636 1
1 191 . 15 1 1 A 15 15 HIS CB C 15 29.300 29.600 -0.300 1
1 193 . 15 1 1 A 15 15 HIS N N 15 116.700 118.140 -1.440 1
1 194 . 15 1 1 A 16 16 ALA H H 16 8.390 8.715 -0.325 1
1 195 . 15 1 1 A 16 16 ALA HA H 16 4.100 3.958 0.142 1
1 199 . 15 1 1 A 16 16 ALA CA C 16 54.500 55.473 -0.973 1
1 200 . 15 1 1 A 16 16 ALA CB C 16 18.200 18.193 0.007 1
1 201 . 15 1 1 A 16 16 ALA N N 16 120.000 121.166 -1.166 1
1 202 . 15 1 1 A 17 17 ARG H H 17 8.820 8.093 0.727 1
1 203 . 15 1 1 A 17 17 ARG HA H 17 3.890 4.039 -0.149 1
1 210 . 15 1 1 A 17 17 ARG CA C 17 59.900 59.475 0.425 1
1 211 . 15 1 1 A 17 17 ARG CB C 17 30.100 29.653 0.447 1
1 214 . 15 1 1 A 17 17 ARG N N 17 118.900 117.673 1.227 1
1 215 . 15 1 1 A 18 18 GLN H H 18 8.130 8.036 0.094 1
1 216 . 15 1 1 A 18 18 GLN HA H 18 4.060 4.044 0.016 1
1 223 . 15 1 1 A 18 18 GLN CA C 18 57.900 58.535 -0.635 1
1 224 . 15 1 1 A 18 18 GLN CB C 18 28.000 28.335 -0.335 1
1 226 . 15 1 1 A 18 18 GLN N N 18 118.100 119.652 -1.552 1
1 228 . 15 1 1 A 19 19 ALA H H 19 7.090 7.567 -0.477 1
1 229 . 15 1 1 A 19 19 ALA HA H 19 4.220 4.319 -0.099 1
1 233 . 15 1 1 A 19 19 ALA CA C 19 52.300 51.533 0.767 1
1 234 . 15 1 1 A 19 19 ALA CB C 19 20.600 18.414 2.186 1
1 235 . 15 1 1 A 19 19 ALA N N 19 117.600 119.077 -1.477 1
1 236 . 15 1 1 A 20 20 LEU H H 20 7.020 7.270 -0.250 1
1 237 . 15 1 1 A 20 20 LEU HA H 20 4.110 4.397 -0.287 1
1 247 . 15 1 1 A 20 20 LEU CA C 20 54.600 53.525 1.075 1
1 248 . 15 1 1 A 20 20 LEU CB C 20 40.400 41.133 -0.733 1
1 252 . 15 1 1 A 20 20 LEU N N 20 117.900 120.597 -2.697 1
1 253 . 15 1 1 A 21 21 PRO HA H 21 4.320 4.622 -0.302 1
1 260 . 15 1 1 A 21 21 PRO CA C 21 63.700 63.806 -0.106 1
1 261 . 15 1 1 A 21 21 PRO CB C 21 35.000 32.513 2.487 1
1 264 . 15 1 1 A 22 22 ASN H H 22 8.690 7.942 0.748 1
1 265 . 15 1 1 A 22 22 ASN HA H 22 4.570 5.245 -0.675 1
1 270 . 15 1 1 A 22 22 ASN CA C 22 52.400 51.661 0.739 1
1 271 . 15 1 1 A 22 22 ASN CB C 22 40.000 41.160 -1.160 1
1 272 . 15 1 1 A 22 22 ASN N N 22 122.000 120.408 1.592 1
1 274 . 15 1 1 A 23 23 GLU H H 23 8.540 8.536 0.004 1
1 275 . 15 1 1 A 23 23 GLU HA H 23 4.050 4.821 -0.771 1
1 280 . 15 1 1 A 23 23 GLU CA C 23 57.300 56.731 0.569 1
1 281 . 15 1 1 A 23 23 GLU CB C 23 29.000 29.421 -0.421 1
1 283 . 15 1 1 A 23 23 GLU N N 23 116.100 119.750 -3.650 1
1 284 . 15 1 1 A 24 24 ALA H H 24 8.390 7.988 0.402 1
1 285 . 15 1 1 A 24 24 ALA HA H 24 5.040 4.405 0.635 1
1 289 . 15 1 1 A 24 24 ALA CA C 24 48.900 52.676 -3.776 1
1 290 . 15 1 1 A 24 24 ALA CB C 24 23.200 19.384 3.816 1
1 291 . 15 1 1 A 24 24 ALA N N 24 124.800 128.371 -3.571 1
1 292 . 15 1 1 A 25 25 CYS H H 25 8.910 8.923 -0.013 1
1 293 . 15 1 1 A 25 25 CYS HA H 25 5.000 5.452 -0.452 1
1 296 . 15 1 1 A 25 25 CYS CA C 25 55.000 57.717 -2.717 1
1 297 . 15 1 1 A 25 25 CYS CB C 25 32.600 31.930 0.670 1
1 298 . 15 1 1 A 25 25 CYS N N 25 111.700 121.137 -9.437 1
1 299 . 15 1 1 A 26 26 GLY H H 26 7.110 7.525 -0.415 1
1 300 . 15 1 1 A 26 26 GLY HA2 H 26 3.820 3.523 0.297 1
1 301 . 15 1 1 A 26 26 GLY HA3 H 26 4.070 3.922 0.148 1
1 302 . 15 1 1 A 26 26 GLY CA C 26 46.500 45.657 0.843 1
1 303 . 15 1 1 A 26 26 GLY N N 26 103.200 108.678 -5.478 1
1 304 . 15 1 1 A 27 27 LEU H H 27 8.830 8.256 0.574 1
1 305 . 15 1 1 A 27 27 LEU HA H 27 5.200 5.230 -0.030 1
1 315 . 15 1 1 A 27 27 LEU CA C 27 53.200 53.262 -0.062 1
1 316 . 15 1 1 A 27 27 LEU CB C 27 46.600 45.585 1.015 1
1 320 . 15 1 1 A 27 27 LEU N N 27 116.700 121.086 -4.386 1
1 321 . 15 1 1 A 28 28 LEU H H 28 8.060 8.673 -0.613 1
1 322 . 15 1 1 A 28 28 LEU HA H 28 5.200 5.165 0.035 1
1 332 . 15 1 1 A 28 28 LEU CA C 28 53.400 52.786 0.614 1
1 333 . 15 1 1 A 28 28 LEU CB C 28 44.900 44.733 0.167 1
1 337 . 15 1 1 A 28 28 LEU N N 28 118.200 121.817 -3.617 1
1 338 . 15 1 1 A 29 29 GLY H H 29 9.210 8.758 0.452 1
1 339 . 15 1 1 A 29 29 GLY HA2 H 29 3.750 4.138 -0.388 1
1 340 . 15 1 1 A 29 29 GLY HA3 H 29 5.800 4.237 1.563 1
1 341 . 15 1 1 A 29 29 GLY CA C 29 43.600 44.380 -0.780 1
1 342 . 15 1 1 A 29 29 GLY N N 29 109.500 112.012 -2.512 1
1 343 . 15 1 1 A 30 30 GLY H H 30 9.520 8.702 0.818 1
1 344 . 15 1 1 A 30 30 GLY HA2 H 30 3.210 3.745 -0.535 1
1 345 . 15 1 1 A 30 30 GLY HA3 H 30 4.800 4.171 0.629 1
1 346 . 15 1 1 A 30 30 GLY CA C 30 47.500 46.044 1.456 1
1 347 . 15 1 1 A 30 30 GLY N N 30 111.700 110.105 1.595 1
1 348 . 15 1 1 A 31 31 ARG H H 31 8.900 8.802 0.098 1
1 349 . 15 1 1 A 31 31 ARG HA H 31 5.170 5.244 -0.074 1
1 356 . 15 1 1 A 31 31 ARG CA C 31 54.200 54.627 -0.427 1
1 357 . 15 1 1 A 31 31 ARG CB C 31 34.200 34.348 -0.148 1
1 360 . 15 1 1 A 31 31 ARG N N 31 123.000 122.191 0.809 1
1 361 . 15 1 1 A 32 32 ARG H H 32 9.070 9.073 -0.003 1
1 362 . 15 1 1 A 32 32 ARG HA H 32 5.140 5.311 -0.171 1
1 369 . 15 1 1 A 32 32 ARG CA C 32 54.700 54.407 0.293 1
1 370 . 15 1 1 A 32 32 ARG CB C 32 33.700 33.174 0.526 1
1 373 . 15 1 1 A 32 32 ARG N N 32 121.500 120.763 0.737 1
1 374 . 15 1 1 A 33 33 ASP H H 33 8.640 8.843 -0.203 1
1 375 . 15 1 1 A 33 33 ASP HA H 33 4.850 4.978 -0.128 1
1 378 . 15 1 1 A 33 33 ASP CA C 33 53.400 52.598 0.802 1
1 379 . 15 1 1 A 33 33 ASP CB C 33 42.100 42.003 0.097 1
1 380 . 15 1 1 A 33 33 ASP N N 33 124.200 124.160 0.040 1
1 381 . 15 1 1 A 34 34 GLY H H 34 9.020 8.930 0.090 1
1 382 . 15 1 1 A 34 34 GLY HA2 H 34 3.670 3.853 -0.183 1
1 383 . 15 1 1 A 34 34 GLY HA3 H 34 4.000 3.855 0.145 1
1 384 . 15 1 1 A 34 34 GLY CA C 34 47.200 47.300 -0.100 1
1 385 . 15 1 1 A 34 34 GLY N N 34 115.900 115.768 0.132 1
1 386 . 15 1 1 A 35 35 ASP H H 35 9.070 8.345 0.725 1
1 387 . 15 1 1 A 35 35 ASP HA H 35 4.650 4.660 -0.010 1
1 390 . 15 1 1 A 35 35 ASP CA C 35 54.800 54.126 0.674 1
1 391 . 15 1 1 A 35 35 ASP CB C 35 41.000 41.825 -0.825 1
1 392 . 15 1 1 A 35 35 ASP N N 35 127.300 126.430 0.870 1
1 393 . 15 1 1 A 36 36 ASP H H 36 8.070 7.575 0.495 1
1 394 . 15 1 1 A 36 36 ASP HA H 36 4.950 4.603 0.347 1
1 397 . 15 1 1 A 36 36 ASP CA C 36 53.700 53.202 0.498 1
1 398 . 15 1 1 A 36 36 ASP CB C 36 41.700 42.371 -0.671 1
1 399 . 15 1 1 A 36 36 ASP N N 36 120.600 119.674 0.926 1
1 400 . 15 1 1 A 37 37 ARG H H 37 8.070 7.740 0.330 1
1 401 . 15 1 1 A 37 37 ARG HA H 37 4.850 4.945 -0.095 1
1 408 . 15 1 1 A 37 37 ARG CA C 37 55.400 54.225 1.175 1
1 409 . 15 1 1 A 37 37 ARG CB C 37 32.900 33.227 -0.327 1
1 412 . 15 1 1 A 37 37 ARG N N 37 120.800 121.233 -0.433 1
1 413 . 15 1 1 A 38 38 TRP H H 38 9.380 9.264 0.116 1
1 414 . 15 1 1 A 38 38 TRP HA H 38 4.840 5.382 -0.542 1
1 423 . 15 1 1 A 38 38 TRP CA C 38 57.000 55.817 1.183 1
1 424 . 15 1 1 A 38 38 TRP CB C 38 30.100 33.165 -3.065 1
1 430 . 15 1 1 A 38 38 TRP N N 38 124.900 123.208 1.692 1
1 432 . 15 1 1 A 39 39 VAL H H 39 8.450 9.562 -1.112 1
1 433 . 15 1 1 A 39 39 VAL HA H 39 3.390 4.330 -0.940 1
1 441 . 15 1 1 A 39 39 VAL CA C 39 64.500 61.415 3.085 1
1 442 . 15 1 1 A 39 39 VAL CB C 39 31.500 33.340 -1.840 1
1 445 . 15 1 1 A 39 39 VAL N N 39 124.400 123.772 0.628 1
1 446 . 15 1 1 A 40 40 GLU H H 40 9.080 8.351 0.729 1
1 447 . 15 1 1 A 40 40 GLU HA H 40 4.350 4.327 0.023 1
1 452 . 15 1 1 A 40 40 GLU CA C 40 54.900 56.664 -1.764 1
1 453 . 15 1 1 A 40 40 GLU CB C 40 29.500 32.031 -2.531 1
1 455 . 15 1 1 A 40 40 GLU N N 40 124.200 128.255 -4.055 1
1 456 . 15 1 1 A 41 41 ARG H H 41 7.610 6.958 0.652 1
1 457 . 15 1 1 A 41 41 ARG HA H 41 4.070 4.635 -0.565 1
1 464 . 15 1 1 A 41 41 ARG CA C 41 56.800 54.297 2.503 1
1 465 . 15 1 1 A 41 41 ARG CB C 41 33.600 32.431 1.169 1
1 468 . 15 1 1 A 41 41 ARG N N 41 120.000 119.009 0.991 1
1 469 . 15 1 1 A 42 42 VAL H H 42 8.460 8.684 -0.224 1
1 470 . 15 1 1 A 42 42 VAL HA H 42 4.300 4.381 -0.081 1
1 478 . 15 1 1 A 42 42 VAL CA C 42 60.900 61.166 -0.266 1
1 479 . 15 1 1 A 42 42 VAL CB C 42 32.900 33.156 -0.256 1
1 482 . 15 1 1 A 42 42 VAL N N 42 125.600 127.096 -1.496 1
1 483 . 15 1 1 A 43 43 TYR H H 43 9.070 8.324 0.746 1
1 484 . 15 1 1 A 43 43 TYR HA H 43 4.930 5.071 -0.141 1
1 491 . 15 1 1 A 43 43 TYR CA C 43 54.600 55.295 -0.695 1
1 492 . 15 1 1 A 43 43 TYR CB C 43 38.500 39.007 -0.507 1
1 495 . 15 1 1 A 43 43 TYR N N 43 124.800 126.623 -1.823 1
1 496 . 15 1 1 A 44 44 PRO HA H 44 4.260 4.480 -0.220 1
1 503 . 15 1 1 A 44 44 PRO CA C 44 63.200 62.297 0.903 1
1 504 . 15 1 1 A 44 44 PRO CB C 44 30.100 30.170 -0.070 1
1 507 . 15 1 1 A 45 45 LEU H H 45 8.270 7.885 0.385 1
1 508 . 15 1 1 A 45 45 LEU HA H 45 4.930 4.557 0.373 1
1 518 . 15 1 1 A 45 45 LEU CA C 45 53.800 53.599 0.201 1
1 519 . 15 1 1 A 45 45 LEU CB C 45 45.600 44.058 1.542 1
1 523 . 15 1 1 A 45 45 LEU N N 45 125.800 124.015 1.785 1
1 524 . 15 1 1 A 46 46 ASN H H 46 9.120 8.679 0.441 1
1 525 . 15 1 1 A 46 46 ASN HA H 46 4.630 5.574 -0.944 1
1 530 . 15 1 1 A 46 46 ASN CA C 46 56.000 52.412 3.588 1
1 531 . 15 1 1 A 46 46 ASN CB C 46 39.000 41.190 -2.190 1
1 532 . 15 1 1 A 46 46 ASN N N 46 119.000 120.945 -1.945 1
1 534 . 15 1 1 A 47 47 ASN H H 47 8.460 8.748 -0.288 1
1 535 . 15 1 1 A 47 47 ASN HA H 47 5.260 5.090 0.170 1
1 540 . 15 1 1 A 47 47 ASN CA C 47 51.200 52.646 -1.446 1
1 541 . 15 1 1 A 47 47 ASN CB C 47 37.700 38.628 -0.928 1
1 542 . 15 1 1 A 47 47 ASN N N 47 118.500 122.571 -4.071 1
1 544 . 15 1 1 A 48 48 LEU H H 48 8.890 9.102 -0.212 1
1 545 . 15 1 1 A 48 48 LEU HA H 48 4.070 4.175 -0.105 1
1 555 . 15 1 1 A 48 48 LEU CA C 48 56.800 57.077 -0.277 1
1 556 . 15 1 1 A 48 48 LEU CB C 48 41.600 42.066 -0.466 1
1 560 . 15 1 1 A 48 48 LEU N N 48 127.100 127.870 -0.770 1
1 561 . 15 1 1 A 49 49 ASP H H 49 7.820 7.963 -0.143 1
1 562 . 15 1 1 A 49 49 ASP HA H 49 4.430 4.818 -0.388 1
1 565 . 15 1 1 A 49 49 ASP CA C 49 54.500 53.041 1.459 1
1 566 . 15 1 1 A 49 49 ASP CB C 49 40.100 40.481 -0.381 1
1 567 . 15 1 1 A 49 49 ASP N N 49 115.700 118.279 -2.579 1
1 568 . 15 1 1 A 50 50 GLN H H 50 7.770 8.822 -1.052 1
1 569 . 15 1 1 A 50 50 GLN HA H 50 3.880 4.514 -0.634 1
1 576 . 15 1 1 A 50 50 GLN CA C 50 56.000 55.320 0.680 1
1 577 . 15 1 1 A 50 50 GLN CB C 50 27.400 27.130 0.270 1
1 579 . 15 1 1 A 50 50 GLN N N 50 115.300 125.650 -10.350 1
1 581 . 15 1 1 A 51 51 SER H H 51 6.370 8.258 -1.888 1
1 582 . 15 1 1 A 51 51 SER HA H 51 5.210 4.908 0.302 1
1 585 . 15 1 1 A 51 51 SER CA C 51 53.700 56.032 -2.332 1
1 586 . 15 1 1 A 51 51 SER CB C 51 66.100 66.137 -0.037 1
1 587 . 15 1 1 A 51 51 SER N N 51 109.000 121.008 -12.008 1
1 588 . 15 1 1 A 52 52 PRO HA H 52 4.830 4.623 0.207 1
1 595 . 15 1 1 A 52 52 PRO CA C 52 64.000 64.205 -0.205 1
1 596 . 15 1 1 A 52 52 PRO CB C 52 33.300 31.757 1.543 1
1 599 . 15 1 1 A 53 53 GLU H H 53 8.320 8.457 -0.137 1
1 600 . 15 1 1 A 53 53 GLU HA H 53 4.510 4.620 -0.110 1
1 605 . 15 1 1 A 53 53 GLU CA C 53 55.700 56.555 -0.855 1
1 606 . 15 1 1 A 53 53 GLU CB C 53 32.400 31.700 0.700 1
1 608 . 15 1 1 A 53 53 GLU N N 53 113.900 116.887 -2.987 1
1 609 . 15 1 1 A 54 54 HIS H H 54 7.070 7.879 -0.809 1
1 610 . 15 1 1 A 54 54 HIS HA H 54 4.750 5.275 -0.525 1
1 614 . 15 1 1 A 54 54 HIS CA C 54 54.100 54.468 -0.368 1
1 615 . 15 1 1 A 54 54 HIS CB C 54 31.100 33.904 -2.804 1
1 617 . 15 1 1 A 54 54 HIS N N 54 112.500 117.770 -5.270 1
1 618 . 15 1 1 A 55 55 PHE H H 55 7.900 8.796 -0.896 1
1 619 . 15 1 1 A 55 55 PHE HA H 55 5.580 5.532 0.048 1
1 627 . 15 1 1 A 55 55 PHE CA C 55 55.400 56.340 -0.940 1
1 628 . 15 1 1 A 55 55 PHE CB C 55 41.200 41.835 -0.635 1
1 632 . 15 1 1 A 55 55 PHE N N 55 114.900 119.186 -4.286 1
1 633 . 15 1 1 A 56 56 SER H H 56 7.690 9.358 -1.668 1
1 634 . 15 1 1 A 56 56 SER HA H 56 4.300 4.982 -0.682 1
1 637 . 15 1 1 A 56 56 SER CA C 56 57.800 57.505 0.295 1
1 638 . 15 1 1 A 56 56 SER CB C 56 65.300 66.273 -0.973 1
1 639 . 15 1 1 A 56 56 SER N N 56 112.900 116.901 -4.001 1
1 640 . 15 1 1 A 57 57 MET H H 57 8.750 8.491 0.259 1
1 641 . 15 1 1 A 57 57 MET HA H 57 4.860 4.746 0.114 1
1 649 . 15 1 1 A 57 57 MET CA C 57 54.400 54.705 -0.305 1
1 650 . 15 1 1 A 57 57 MET CB C 57 36.000 33.741 2.259 1
1 653 . 15 1 1 A 57 57 MET N N 57 120.000 123.121 -3.121 1
1 654 . 15 1 1 A 58 58 ASP H H 58 10.180 8.130 2.050 1
1 655 . 15 1 1 A 58 58 ASP HA H 58 4.740 4.751 -0.011 1
1 658 . 15 1 1 A 58 58 ASP CA C 58 51.700 54.834 -3.134 1
1 659 . 15 1 1 A 58 58 ASP CB C 58 42.700 39.863 2.837 1
1 660 . 15 1 1 A 58 58 ASP N N 58 126.600 119.255 7.345 1
1 661 . 15 1 1 A 59 59 PRO HA H 59 4.400 4.264 0.136 1
1 668 . 15 1 1 A 59 59 PRO CA C 59 65.300 65.342 -0.042 1
1 669 . 15 1 1 A 59 59 PRO CB C 59 32.300 32.116 0.184 1
1 672 . 15 1 1 A 60 60 ARG H H 60 8.520 8.771 -0.251 1
1 673 . 15 1 1 A 60 60 ARG HA H 60 4.120 4.041 0.079 1
1 680 . 15 1 1 A 60 60 ARG CA C 60 59.200 59.384 -0.184 1
1 681 . 15 1 1 A 60 60 ARG CB C 60 29.500 30.071 -0.571 1
1 684 . 15 1 1 A 60 60 ARG N N 60 118.700 119.002 -0.302 1
1 685 . 15 1 1 A 61 61 GLU H H 61 7.730 7.903 -0.173 1
1 686 . 15 1 1 A 61 61 GLU HA H 61 4.190 4.120 0.070 1
1 691 . 15 1 1 A 61 61 GLU CA C 61 59.000 59.048 -0.048 1
1 692 . 15 1 1 A 61 61 GLU CB C 61 30.200 29.450 0.750 1
1 694 . 15 1 1 A 61 61 GLU N N 61 119.800 119.885 -0.085 1
1 695 . 15 1 1 A 62 62 GLN H H 62 8.220 7.932 0.288 1
1 696 . 15 1 1 A 62 62 GLN HA H 62 3.830 4.066 -0.236 1
1 703 . 15 1 1 A 62 62 GLN CA C 62 59.900 58.742 1.158 1
1 704 . 15 1 1 A 62 62 GLN CB C 62 29.000 28.508 0.492 1
1 706 . 15 1 1 A 62 62 GLN N N 62 118.700 119.790 -1.090 1
1 708 . 15 1 1 A 63 63 LEU H H 63 7.950 7.818 0.132 1
1 709 . 15 1 1 A 63 63 LEU HA H 63 4.110 4.050 0.060 1
1 719 . 15 1 1 A 63 63 LEU CA C 63 58.000 58.129 -0.129 1
1 720 . 15 1 1 A 63 63 LEU CB C 63 41.400 41.673 -0.273 1
1 724 . 15 1 1 A 63 63 LEU N N 63 119.200 122.156 -2.956 1
1 725 . 15 1 1 A 64 64 THR H H 64 7.910 8.049 -0.139 1
1 726 . 15 1 1 A 64 64 THR HA H 64 3.790 3.912 -0.122 1
1 731 . 15 1 1 A 64 64 THR CA C 64 66.800 66.321 0.479 1
1 732 . 15 1 1 A 64 64 THR CB C 64 68.700 68.320 0.380 1
1 734 . 15 1 1 A 64 64 THR N N 64 116.000 114.655 1.345 1
1 735 . 15 1 1 A 65 65 ALA H H 65 7.520 7.556 -0.036 1
1 736 . 15 1 1 A 65 65 ALA HA H 65 3.970 3.973 -0.003 1
1 740 . 15 1 1 A 65 65 ALA CA C 65 55.100 55.082 0.018 1
1 741 . 15 1 1 A 65 65 ALA CB C 65 17.900 18.266 -0.366 1
1 742 . 15 1 1 A 65 65 ALA N N 65 125.200 123.382 1.818 1
1 743 . 15 1 1 A 66 66 VAL H H 66 8.420 8.042 0.378 1
1 744 . 15 1 1 A 66 66 VAL HA H 66 3.840 3.439 0.401 1
1 752 . 15 1 1 A 66 66 VAL CA C 66 66.200 67.026 -0.826 1
1 753 . 15 1 1 A 66 66 VAL CB C 66 31.700 31.498 0.202 1
1 756 . 15 1 1 A 66 66 VAL N N 66 119.300 118.999 0.301 1
1 757 . 15 1 1 A 67 67 LYS H H 67 8.570 8.457 0.113 1
1 758 . 15 1 1 A 67 67 LYS HA H 67 3.960 3.988 -0.028 1
1 767 . 15 1 1 A 67 67 LYS CA C 67 60.300 59.904 0.396 1
1 768 . 15 1 1 A 67 67 LYS CB C 67 32.200 32.280 -0.080 1
1 772 . 15 1 1 A 67 67 LYS N N 67 120.600 120.514 0.086 1
1 773 . 15 1 1 A 68 68 ASP H H 68 7.660 8.535 -0.875 1
1 774 . 15 1 1 A 68 68 ASP HA H 68 4.290 4.400 -0.110 1
1 777 . 15 1 1 A 68 68 ASP CA C 68 58.300 57.735 0.565 1
1 778 . 15 1 1 A 68 68 ASP CB C 68 42.700 41.188 1.512 1
1 779 . 15 1 1 A 68 68 ASP N N 68 121.500 119.759 1.741 1
1 780 . 15 1 1 A 69 69 MET H H 69 8.620 8.445 0.175 1
1 781 . 15 1 1 A 69 69 MET HA H 69 4.250 4.287 -0.037 1
1 789 . 15 1 1 A 69 69 MET CA C 69 60.300 58.700 1.600 1
1 790 . 15 1 1 A 69 69 MET CB C 69 32.700 32.154 0.546 1
1 793 . 15 1 1 A 69 69 MET N N 69 120.100 119.399 0.701 1
1 794 . 15 1 1 A 70 70 ARG H H 70 8.500 8.447 0.053 1
1 795 . 15 1 1 A 70 70 ARG HA H 70 4.110 4.150 -0.040 1
1 802 . 15 1 1 A 70 70 ARG CA C 70 59.200 59.213 -0.013 1
1 803 . 15 1 1 A 70 70 ARG CB C 70 29.600 29.791 -0.191 1
1 806 . 15 1 1 A 70 70 ARG N N 70 119.000 120.163 -1.163 1
1 807 . 15 1 1 A 71 71 LYS H H 71 8.020 8.276 -0.256 1
1 808 . 15 1 1 A 71 71 LYS HA H 71 3.970 4.089 -0.119 1
1 817 . 15 1 1 A 71 71 LYS CA C 71 58.800 59.316 -0.516 1
1 818 . 15 1 1 A 71 71 LYS CB C 71 32.000 32.133 -0.133 1
1 822 . 15 1 1 A 71 71 LYS N N 71 121.100 119.417 1.683 1
1 823 . 15 1 1 A 72 72 ASN H H 72 6.960 7.943 -0.983 1
1 824 . 15 1 1 A 72 72 ASN HA H 72 4.090 4.813 -0.723 1
1 829 . 15 1 1 A 72 72 ASN CA C 72 53.300 53.167 0.133 1
1 830 . 15 1 1 A 72 72 ASN CB C 72 39.000 39.026 -0.026 1
1 831 . 15 1 1 A 72 72 ASN N N 72 114.600 115.950 -1.350 1
1 833 . 15 1 1 A 73 73 GLY H H 73 7.560 7.762 -0.202 1
1 834 . 15 1 1 A 73 73 GLY HA2 H 73 3.890 3.775 0.115 1
1 835 . 15 1 1 A 73 73 GLY HA3 H 73 3.760 3.959 -0.199 1
1 836 . 15 1 1 A 73 73 GLY CA C 73 45.900 45.016 0.884 1
1 837 . 15 1 1 A 73 73 GLY N N 73 106.700 106.871 -0.171 1
1 838 . 15 1 1 A 74 74 TRP H H 74 8.240 7.745 0.495 1
1 839 . 15 1 1 A 74 74 TRP HA H 74 5.260 4.866 0.394 1
1 848 . 15 1 1 A 74 74 TRP CA C 74 53.100 57.190 -4.090 1
1 849 . 15 1 1 A 74 74 TRP CB C 74 31.400 31.883 -0.483 1
1 855 . 15 1 1 A 74 74 TRP N N 74 120.700 121.315 -0.615 1
1 857 . 15 1 1 A 75 75 VAL H H 75 9.410 9.386 0.024 1
1 858 . 15 1 1 A 75 75 VAL HA H 75 4.800 4.887 -0.087 1
1 866 . 15 1 1 A 75 75 VAL CA C 75 58.500 59.226 -0.726 1
1 867 . 15 1 1 A 75 75 VAL CB C 75 35.500 35.696 -0.196 1
1 870 . 15 1 1 A 75 75 VAL N N 75 112.100 116.644 -4.544 1
1 871 . 15 1 1 A 76 76 MET H H 76 8.800 8.774 0.026 1
1 872 . 15 1 1 A 76 76 MET HA H 76 4.650 4.620 0.030 1
1 880 . 15 1 1 A 76 76 MET CA C 76 56.900 55.583 1.317 1
1 881 . 15 1 1 A 76 76 MET CB C 76 32.600 32.913 -0.313 1
1 884 . 15 1 1 A 76 76 MET N N 76 122.400 122.831 -0.431 1
1 885 . 15 1 1 A 77 77 LEU H H 77 8.780 9.197 -0.417 1
1 886 . 15 1 1 A 77 77 LEU HA H 77 4.480 4.640 -0.160 1
1 896 . 15 1 1 A 77 77 LEU CA C 77 54.100 55.359 -1.259 1
1 897 . 15 1 1 A 77 77 LEU CB C 77 44.700 43.202 1.498 1
1 901 . 15 1 1 A 77 77 LEU N N 77 125.600 127.413 -1.813 1
1 902 . 15 1 1 A 78 78 GLY H H 78 7.590 7.491 0.099 1
1 903 . 15 1 1 A 78 78 GLY HA2 H 78 5.150 3.979 1.171 1
1 904 . 15 1 1 A 78 78 GLY HA3 H 78 3.660 3.996 -0.336 1
1 905 . 15 1 1 A 78 78 GLY CA C 78 45.700 45.594 0.106 1
1 906 . 15 1 1 A 78 78 GLY N N 78 102.900 104.894 -1.994 1
1 907 . 15 1 1 A 79 79 ASN H H 79 8.520 8.549 -0.029 1
1 908 . 15 1 1 A 79 79 ASN HA H 79 5.230 5.620 -0.390 1
1 913 . 15 1 1 A 79 79 ASN CA C 79 51.100 51.693 -0.593 1
1 914 . 15 1 1 A 79 79 ASN CB C 79 41.500 41.966 -0.466 1
1 915 . 15 1 1 A 79 79 ASN N N 79 115.600 117.773 -2.173 1
1 917 . 15 1 1 A 80 80 PHE H H 80 8.410 8.347 0.063 1
1 918 . 15 1 1 A 80 80 PHE HA H 80 6.120 6.015 0.105 1
1 926 . 15 1 1 A 80 80 PHE CA C 80 54.500 55.504 -1.004 1
1 927 . 15 1 1 A 80 80 PHE CB C 80 44.800 42.710 2.090 1
1 931 . 15 1 1 A 80 80 PHE N N 80 113.100 116.461 -3.361 1
1 932 . 15 1 1 A 81 81 HIS H H 81 8.310 9.078 -0.768 1
1 933 . 15 1 1 A 81 81 HIS HA H 81 5.300 5.895 -0.595 1
1 938 . 15 1 1 A 81 81 HIS CA C 81 54.400 54.500 -0.100 1
1 939 . 15 1 1 A 81 81 HIS CB C 81 30.300 32.340 -2.040 1
1 942 . 15 1 1 A 81 81 HIS N N 81 111.600 115.794 -4.194 1
1 943 . 15 1 1 A 82 82 SER H H 82 8.390 8.895 -0.505 1
1 944 . 15 1 1 A 82 82 SER HA H 82 5.510 5.569 -0.059 1
1 947 . 15 1 1 A 82 82 SER CA C 82 54.800 55.682 -0.882 1
1 948 . 15 1 1 A 82 82 SER CB C 82 66.700 66.163 0.537 1
1 949 . 15 1 1 A 82 82 SER N N 82 112.700 114.224 -1.524 1
1 950 . 15 1 1 A 83 83 HIS H H 83 8.890 9.102 -0.212 1
1 951 . 15 1 1 A 83 83 HIS HA H 83 5.480 4.822 0.658 1
1 956 . 15 1 1 A 83 83 HIS CA C 83 49.900 54.103 -4.203 1
1 957 . 15 1 1 A 83 83 HIS CB C 83 32.000 31.320 0.680 1
1 960 . 15 1 1 A 83 83 HIS N N 83 115.200 119.074 -3.874 1
1 961 . 15 1 1 A 84 84 PRO HA H 84 3.940 4.450 -0.510 1
1 968 . 15 1 1 A 84 84 PRO CA C 84 65.600 64.379 1.221 1
1 969 . 15 1 1 A 84 84 PRO CB C 84 33.300 32.122 1.178 1
1 972 . 15 1 1 A 85 85 ALA H H 85 8.410 8.297 0.113 1
1 973 . 15 1 1 A 85 85 ALA HA H 85 4.670 4.531 0.139 1
1 977 . 15 1 1 A 85 85 ALA CA C 85 51.300 51.568 -0.268 1
1 978 . 15 1 1 A 85 85 ALA CB C 85 21.200 20.024 1.176 1
1 979 . 15 1 1 A 85 85 ALA N N 85 112.800 119.945 -7.145 1
1 980 . 15 1 1 A 86 86 THR H H 86 7.070 7.526 -0.456 1
1 981 . 15 1 1 A 86 86 THR HA H 86 4.960 5.048 -0.088 1
1 986 . 15 1 1 A 86 86 THR CA C 86 58.600 58.602 -0.002 1
1 987 . 15 1 1 A 86 86 THR CB C 86 69.500 70.428 -0.928 1
1 989 . 15 1 1 A 86 86 THR N N 86 109.200 108.437 0.763 1
1 990 . 15 1 1 A 87 87 PRO HA H 87 4.630 4.681 -0.051 1
1 997 . 15 1 1 A 87 87 PRO CA C 87 62.700 62.385 0.315 1
1 998 . 15 1 1 A 87 87 PRO CB C 87 33.500 33.203 0.297 1
1 1001 . 15 1 1 A 88 88 ALA H H 88 9.760 8.421 1.339 1
1 1002 . 15 1 1 A 88 88 ALA HA H 88 3.960 4.635 -0.675 1
1 1006 . 15 1 1 A 88 88 ALA CA C 88 51.700 51.344 0.356 1
1 1007 . 15 1 1 A 88 88 ALA CB C 88 16.300 19.064 -2.764 1
1 1008 . 15 1 1 A 88 88 ALA N N 88 127.600 123.015 4.585 1
1 1009 . 15 1 1 A 89 89 ARG H H 89 7.570 8.164 -0.594 1
1 1010 . 15 1 1 A 89 89 ARG HA H 89 4.280 4.309 -0.029 1
1 1017 . 15 1 1 A 89 89 ARG CA C 89 53.200 54.084 -0.884 1
1 1018 . 15 1 1 A 89 89 ARG CB C 89 31.300 33.696 -2.396 1
1 1021 . 15 1 1 A 89 89 ARG N N 89 118.300 119.697 -1.397 1
1 1022 . 15 1 1 A 90 90 PRO HA H 90 4.510 4.517 -0.007 1
1 1029 . 15 1 1 A 90 90 PRO CA C 90 62.900 62.640 0.260 1
1 1030 . 15 1 1 A 90 90 PRO CB C 90 31.300 32.164 -0.864 1
1 1033 . 15 1 1 A 91 91 SER H H 91 9.630 8.491 1.139 1
1 1034 . 15 1 1 A 91 91 SER HA H 91 4.600 4.843 -0.243 1
1 1037 . 15 1 1 A 91 91 SER CA C 91 56.500 57.333 -0.833 1
1 1038 . 15 1 1 A 91 91 SER CB C 91 66.000 65.181 0.819 1
1 1039 . 15 1 1 A 91 91 SER N N 91 122.500 116.605 5.895 1
1 1040 . 15 1 1 A 92 92 ALA H H 92 8.910 9.030 -0.120 1
1 1041 . 15 1 1 A 92 92 ALA HA H 92 3.980 3.956 0.024 1
1 1045 . 15 1 1 A 92 92 ALA CA C 92 55.900 55.272 0.628 1
1 1046 . 15 1 1 A 92 92 ALA CB C 92 17.800 18.000 -0.200 1
1 1047 . 15 1 1 A 92 92 ALA N N 92 123.000 125.227 -2.227 1
1 1048 . 15 1 1 A 93 93 GLU H H 93 8.370 8.059 0.311 1
1 1049 . 15 1 1 A 93 93 GLU HA H 93 4.070 3.946 0.124 1
1 1054 . 15 1 1 A 93 93 GLU CA C 93 58.900 59.462 -0.562 1
1 1055 . 15 1 1 A 93 93 GLU CB C 93 28.800 29.399 -0.599 1
1 1057 . 15 1 1 A 93 93 GLU N N 93 118.800 118.080 0.720 1
1 1058 . 15 1 1 A 94 94 ASP H H 94 7.770 8.214 -0.444 1
1 1059 . 15 1 1 A 94 94 ASP HA H 94 4.260 4.373 -0.113 1
1 1062 . 15 1 1 A 94 94 ASP CA C 94 57.100 57.204 -0.104 1
1 1063 . 15 1 1 A 94 94 ASP CB C 94 40.200 40.819 -0.619 1
1 1064 . 15 1 1 A 94 94 ASP N N 94 119.200 120.038 -0.838 1
1 1065 . 15 1 1 A 95 95 LYS H H 95 7.830 8.059 -0.229 1
1 1066 . 15 1 1 A 95 95 LYS HA H 95 3.720 3.788 -0.068 1
1 1075 . 15 1 1 A 95 95 LYS CA C 95 59.500 58.974 0.526 1
1 1076 . 15 1 1 A 95 95 LYS CB C 95 31.900 31.893 0.007 1
1 1080 . 15 1 1 A 95 95 LYS N N 95 116.400 119.198 -2.798 1
1 1081 . 15 1 1 A 96 96 ARG H H 96 7.570 7.594 -0.024 1
1 1082 . 15 1 1 A 96 96 ARG HA H 96 3.940 4.003 -0.063 1
1 1089 . 15 1 1 A 96 96 ARG CA C 96 58.500 58.610 -0.110 1
1 1090 . 15 1 1 A 96 96 ARG CB C 96 30.100 29.924 0.176 1
1 1093 . 15 1 1 A 96 96 ARG N N 96 119.400 118.624 0.776 1
1 1094 . 15 1 1 A 97 97 LEU H H 97 7.270 7.440 -0.170 1
1 1095 . 15 1 1 A 97 97 LEU HA H 97 4.030 3.780 0.250 1
1 1105 . 15 1 1 A 97 97 LEU CA C 97 54.400 53.842 0.558 1
1 1106 . 15 1 1 A 97 97 LEU CB C 97 41.600 41.386 0.214 1
1 1110 . 15 1 1 A 97 97 LEU N N 97 116.100 116.455 -0.355 1
1 1111 . 15 1 1 A 98 98 ALA H H 98 6.950 6.843 0.107 1
1 1112 . 15 1 1 A 98 98 ALA HA H 98 4.230 4.418 -0.188 1
1 1116 . 15 1 1 A 98 98 ALA CA C 98 50.800 51.027 -0.227 1
1 1117 . 15 1 1 A 98 98 ALA CB C 98 16.700 18.213 -1.513 1
1 1118 . 15 1 1 A 98 98 ALA N N 98 124.800 123.284 1.516 1
1 1119 . 15 1 1 A 99 99 PHE H H 99 7.630 8.336 -0.706 1
1 1120 . 15 1 1 A 99 99 PHE HA H 99 4.490 4.691 -0.201 1
1 1128 . 15 1 1 A 99 99 PHE CA C 99 58.200 58.757 -0.557 1
1 1129 . 15 1 1 A 99 99 PHE CB C 99 39.500 39.956 -0.456 1
1 1133 . 15 1 1 A 99 99 PHE N N 99 120.400 122.545 -2.145 1
1 1134 . 15 1 1 A 100 100 ASP H H 100 7.320 8.005 -0.685 1
1 1135 . 15 1 1 A 100 100 ASP HA H 100 5.240 5.062 0.178 1
1 1138 . 15 1 1 A 100 100 ASP CA C 100 49.900 51.774 -1.874 1
1 1139 . 15 1 1 A 100 100 ASP CB C 100 42.200 41.497 0.703 1
1 1140 . 15 1 1 A 100 100 ASP N N 100 118.200 119.556 -1.356 1
1 1141 . 15 1 1 A 101 101 PRO HA H 101 5.040 4.852 0.188 1
1 1148 . 15 1 1 A 101 101 PRO CA C 101 64.200 64.178 0.022 1
1 1149 . 15 1 1 A 101 101 PRO CB C 101 32.800 31.964 0.836 1
1 1152 . 15 1 1 A 102 102 SER H H 102 8.950 7.997 0.953 1
1 1153 . 15 1 1 A 102 102 SER HA H 102 4.530 4.504 0.026 1
1 1156 . 15 1 1 A 102 102 SER CA C 102 59.300 59.029 0.271 1
1 1157 . 15 1 1 A 102 102 SER CB C 102 64.500 64.150 0.350 1
1 1158 . 15 1 1 A 102 102 SER N N 102 117.700 112.716 4.984 1
1 1159 . 15 1 1 A 103 103 LEU H H 103 6.850 7.503 -0.653 1
1 1160 . 15 1 1 A 103 103 LEU HA H 103 4.200 4.302 -0.102 1
1 1170 . 15 1 1 A 103 103 LEU CA C 103 53.700 53.734 -0.034 1
1 1171 . 15 1 1 A 103 103 LEU CB C 103 41.800 43.337 -1.537 1
1 1175 . 15 1 1 A 103 103 LEU N N 103 121.100 122.597 -1.497 1
1 1176 . 15 1 1 A 104 104 SER H H 104 8.080 8.868 -0.788 1
1 1177 . 15 1 1 A 104 104 SER HA H 104 4.310 4.842 -0.532 1
1 1180 . 15 1 1 A 104 104 SER CA C 104 60.300 58.148 2.152 1
1 1181 . 15 1 1 A 104 104 SER CB C 104 63.300 63.968 -0.668 1
1 1182 . 15 1 1 A 104 104 SER N N 104 116.100 119.677 -3.577 1
1 1183 . 15 1 1 A 105 105 TYR H H 105 8.790 9.081 -0.291 1
1 1184 . 15 1 1 A 105 105 TYR HA H 105 4.750 5.314 -0.564 1
1 1191 . 15 1 1 A 105 105 TYR CA C 105 57.100 56.657 0.443 1
1 1192 . 15 1 1 A 105 105 TYR CB C 105 37.700 39.014 -1.314 1
1 1195 . 15 1 1 A 105 105 TYR N N 105 122.700 125.721 -3.021 1
1 1196 . 15 1 1 A 106 106 LEU H H 106 8.750 9.163 -0.413 1
1 1197 . 15 1 1 A 106 106 LEU HA H 106 5.290 4.827 0.463 1
1 1207 . 15 1 1 A 106 106 LEU CA C 106 56.000 53.916 2.084 1
1 1208 . 15 1 1 A 106 106 LEU CB C 106 43.400 43.303 0.097 1
1 1212 . 15 1 1 A 106 106 LEU N N 106 125.200 125.671 -0.471 1
1 1213 . 15 1 1 A 107 107 ILE H H 107 9.480 9.097 0.383 1
1 1214 . 15 1 1 A 107 107 ILE HA H 107 4.630 5.026 -0.396 1
1 1224 . 15 1 1 A 107 107 ILE CA C 107 59.700 59.854 -0.154 1
1 1225 . 15 1 1 A 107 107 ILE CB C 107 40.500 40.477 0.023 1
1 1229 . 15 1 1 A 107 107 ILE N N 107 123.800 123.248 0.552 1
1 1230 . 15 1 1 A 108 108 ILE H H 108 7.820 9.020 -1.200 1
1 1231 . 15 1 1 A 108 108 ILE HA H 108 4.950 4.980 -0.030 1
1 1241 . 15 1 1 A 108 108 ILE CA C 108 58.600 59.914 -1.314 1
1 1242 . 15 1 1 A 108 108 ILE CB C 108 41.700 39.969 1.731 1
1 1246 . 15 1 1 A 108 108 ILE N N 108 125.200 129.357 -4.157 1
1 1247 . 15 1 1 A 109 109 SER H H 109 9.780 9.687 0.093 1
1 1248 . 15 1 1 A 109 109 SER HA H 109 5.430 5.090 0.340 1
1 1251 . 15 1 1 A 109 109 SER CA C 109 56.400 58.087 -1.687 1
1 1252 . 15 1 1 A 109 109 SER CB C 109 64.900 63.608 1.292 1
1 1253 . 15 1 1 A 109 109 SER N N 109 120.300 125.230 -4.930 1
1 1254 . 15 1 1 A 110 110 LEU H H 110 8.110 8.903 -0.793 1
1 1255 . 15 1 1 A 110 110 LEU HA H 110 4.630 4.636 -0.006 1
1 1265 . 15 1 1 A 110 110 LEU CA C 110 53.300 53.355 -0.055 1
1 1266 . 15 1 1 A 110 110 LEU CB C 110 41.100 41.868 -0.768 1
1 1270 . 15 1 1 A 110 110 LEU N N 110 130.700 128.518 2.182 1
1 1271 . 15 1 1 A 111 111 ALA H H 111 7.390 8.052 -0.662 1
1 1272 . 15 1 1 A 111 111 ALA HA H 111 3.920 4.413 -0.493 1
1 1276 . 15 1 1 A 111 111 ALA CA C 111 55.200 54.235 0.965 1
1 1277 . 15 1 1 A 111 111 ALA CB C 111 17.900 19.311 -1.411 1
1 1278 . 15 1 1 A 111 111 ALA N N 111 121.000 125.967 -4.967 1
1 1279 . 15 1 1 A 112 112 GLU H H 112 8.290 7.986 0.304 1
1 1280 . 15 1 1 A 112 112 GLU HA H 112 4.830 4.764 0.066 1
1 1285 . 15 1 1 A 112 112 GLU CA C 112 52.600 53.010 -0.410 1
1 1286 . 15 1 1 A 112 112 GLU CB C 112 29.300 31.378 -2.078 1
1 1288 . 15 1 1 A 112 112 GLU N N 112 116.400 116.522 -0.122 1
1 1289 . 15 1 1 A 113 113 PRO HA H 113 3.940 4.474 -0.534 1
1 1296 . 15 1 1 A 113 113 PRO CA C 113 65.600 64.429 1.171 1
1 1297 . 15 1 1 A 113 113 PRO CB C 113 31.900 31.813 0.087 1
1 1300 . 15 1 1 A 114 114 GLN H H 114 8.610 8.346 0.264 1
1 1301 . 15 1 1 A 114 114 GLN HA H 114 4.250 4.479 -0.229 1
1 1308 . 15 1 1 A 114 114 GLN CA C 114 56.100 55.974 0.126 1
1 1309 . 15 1 1 A 114 114 GLN CB C 114 28.300 29.664 -1.364 1
1 1311 . 15 1 1 A 114 114 GLN N N 114 113.500 116.817 -3.317 1
1 1313 . 15 1 1 A 115 115 LYS H H 115 8.040 7.401 0.639 1
1 1314 . 15 1 1 A 115 115 LYS HA H 115 4.620 4.638 -0.018 1
1 1323 . 15 1 1 A 115 115 LYS CA C 115 53.500 53.999 -0.499 1
1 1324 . 15 1 1 A 115 115 LYS CB C 115 33.400 32.934 0.466 1
1 1328 . 15 1 1 A 115 115 LYS N N 115 121.000 120.657 0.343 1
1 1329 . 15 1 1 A 116 116 PRO HA H 116 4.560 5.424 -0.864 1
1 1336 . 15 1 1 A 116 116 PRO CA C 116 62.900 62.023 0.877 1
1 1337 . 15 1 1 A 116 116 PRO CB C 116 32.500 32.043 0.457 1
1 1340 . 15 1 1 A 117 117 VAL H H 117 7.850 8.552 -0.702 1
1 1341 . 15 1 1 A 117 117 VAL HA H 117 4.360 4.437 -0.077 1
1 1349 . 15 1 1 A 117 117 VAL CA C 117 61.200 61.291 -0.091 1
1 1350 . 15 1 1 A 117 117 VAL CB C 117 35.900 33.348 2.552 1
1 1353 . 15 1 1 A 117 117 VAL N N 117 120.600 123.672 -3.072 1
1 1354 . 15 1 1 A 118 118 CYS H H 118 8.820 8.977 -0.157 1
1 1355 . 15 1 1 A 118 118 CYS HA H 118 5.340 5.448 -0.108 1
1 1358 . 15 1 1 A 118 118 CYS CA C 118 56.400 57.012 -0.612 1
1 1359 . 15 1 1 A 118 118 CYS CB C 118 28.700 29.526 -0.826 1
1 1360 . 15 1 1 A 118 118 CYS N N 118 127.100 126.224 0.876 1
1 1361 . 15 1 1 A 119 119 LYS H H 119 8.530 8.697 -0.167 1
1 1362 . 15 1 1 A 119 119 LYS HA H 119 4.590 4.943 -0.353 1
1 1371 . 15 1 1 A 119 119 LYS CA C 119 54.900 54.698 0.202 1
1 1372 . 15 1 1 A 119 119 LYS CB C 119 39.600 36.834 2.766 1
1 1376 . 15 1 1 A 119 119 LYS N N 119 126.400 125.258 1.142 1
1 1377 . 15 1 1 A 120 120 SER H H 120 8.220 8.226 -0.006 1
1 1378 . 15 1 1 A 120 120 SER HA H 120 4.870 5.227 -0.357 1
1 1381 . 15 1 1 A 120 120 SER CA C 120 56.300 56.241 0.059 1
1 1382 . 15 1 1 A 120 120 SER CB C 120 63.300 65.098 -1.798 1
1 1383 . 15 1 1 A 120 120 SER N N 120 114.500 116.718 -2.218 1
1 1384 . 15 1 1 A 121 121 PHE H H 121 8.450 9.377 -0.927 1
1 1385 . 15 1 1 A 121 121 PHE HA H 121 5.160 5.307 -0.147 1
1 1393 . 15 1 1 A 121 121 PHE CA C 121 57.200 56.277 0.923 1
1 1394 . 15 1 1 A 121 121 PHE CB C 121 42.700 42.382 0.318 1
1 1398 . 15 1 1 A 121 121 PHE N N 121 124.400 124.188 0.212 1
1 1399 . 15 1 1 A 122 122 LEU H H 122 9.070 9.568 -0.498 1
1 1400 . 15 1 1 A 122 122 LEU HA H 122 5.270 5.051 0.219 1
1 1410 . 15 1 1 A 122 122 LEU CA C 122 53.300 53.929 -0.629 1
1 1411 . 15 1 1 A 122 122 LEU CB C 122 42.200 42.382 -0.182 1
1 1415 . 15 1 1 A 122 122 LEU N N 122 120.900 123.900 -3.000 1
1 1416 . 15 1 1 A 123 123 ILE H H 123 9.730 9.158 0.572 1
1 1417 . 15 1 1 A 123 123 ILE HA H 123 4.290 4.493 -0.203 1
1 1427 . 15 1 1 A 123 123 ILE CA C 123 61.400 60.737 0.663 1
1 1428 . 15 1 1 A 123 123 ILE CB C 123 38.000 37.492 0.508 1
1 1432 . 15 1 1 A 123 123 ILE N N 123 125.900 125.481 0.419 1
1 1433 . 15 1 1 A 124 124 LYS H H 124 8.080 9.204 -1.124 1
1 1434 . 15 1 1 A 124 124 LYS HA H 124 4.720 4.690 0.030 1
1 1443 . 15 1 1 A 124 124 LYS CA C 124 54.100 54.957 -0.857 1
1 1444 . 15 1 1 A 124 124 LYS CB C 124 34.700 34.594 0.106 1
1 1448 . 15 1 1 A 124 124 LYS N N 124 124.600 127.315 -2.715 1
1 1449 . 15 1 1 A 125 125 LYS H H 125 8.830 9.031 -0.201 1
1 1450 . 15 1 1 A 125 125 LYS HA H 125 4.000 3.885 0.115 1
1 1459 . 15 1 1 A 125 125 LYS CA C 125 59.000 60.068 -1.068 1
1 1460 . 15 1 1 A 125 125 LYS CB C 125 31.700 32.542 -0.842 1
1 1464 . 15 1 1 A 125 125 LYS N N 125 120.900 123.895 -2.995 1
1 1465 . 15 1 1 A 126 126 ASP H H 126 8.160 7.977 0.183 1
1 1466 . 15 1 1 A 126 126 ASP HA H 126 4.650 4.426 0.224 1
1 1469 . 15 1 1 A 126 126 ASP CA C 126 53.100 56.390 -3.290 1
1 1470 . 15 1 1 A 126 126 ASP CB C 126 40.300 41.512 -1.212 1
1 1471 . 15 1 1 A 126 126 ASP N N 126 113.200 119.707 -6.507 1
1 1472 . 15 1 1 A 127 127 GLY H H 127 7.370 7.782 -0.412 1
1 1473 . 15 1 1 A 127 127 GLY HA2 H 127 4.300 4.084 0.216 1
1 1474 . 15 1 1 A 127 127 GLY HA3 H 127 3.900 4.097 -0.197 1
1 1475 . 15 1 1 A 127 127 GLY CA C 127 45.200 44.711 0.489 1
1 1476 . 15 1 1 A 127 127 GLY N N 127 107.600 107.267 0.333 1
1 1477 . 15 1 1 A 128 128 VAL H H 128 8.130 8.372 -0.242 1
1 1478 . 15 1 1 A 128 128 VAL HA H 128 4.900 5.234 -0.334 1
1 1486 . 15 1 1 A 128 128 VAL CA C 128 60.900 59.014 1.886 1
1 1487 . 15 1 1 A 128 128 VAL CB C 128 34.000 35.154 -1.154 1
1 1490 . 15 1 1 A 128 128 VAL N N 128 118.900 119.900 -1.000 1
1 1491 . 15 1 1 A 129 129 ASP H H 129 9.250 9.446 -0.196 1
1 1492 . 15 1 1 A 129 129 ASP HA H 129 5.220 5.344 -0.124 1
1 1495 . 15 1 1 A 129 129 ASP CA C 129 52.300 52.845 -0.545 1
1 1496 . 15 1 1 A 129 129 ASP CB C 129 43.600 44.313 -0.713 1
1 1497 . 15 1 1 A 129 129 ASP N N 129 126.500 128.316 -1.816 1
1 1498 . 15 1 1 A 130 130 GLU H H 130 8.900 8.652 0.248 1
1 1499 . 15 1 1 A 130 130 GLU HA H 130 4.420 4.465 -0.045 1
1 1504 . 15 1 1 A 130 130 GLU CA C 130 56.400 56.406 -0.006 1
1 1505 . 15 1 1 A 130 130 GLU CB C 130 29.800 29.977 -0.177 1
1 1507 . 15 1 1 A 130 130 GLU N N 130 124.000 122.360 1.640 1
1 1508 . 15 1 1 A 131 131 GLU H H 131 8.860 8.790 0.070 1
1 1509 . 15 1 1 A 131 131 GLU HA H 131 4.430 5.098 -0.668 1
1 1514 . 15 1 1 A 131 131 GLU CA C 131 53.500 54.541 -1.041 1
1 1515 . 15 1 1 A 131 131 GLU CB C 131 32.500 33.261 -0.761 1
1 1517 . 15 1 1 A 131 131 GLU N N 131 129.200 124.543 4.657 1
1 1518 . 15 1 1 A 132 132 GLU H H 132 8.610 8.682 -0.072 1
1 1519 . 15 1 1 A 132 132 GLU HA H 132 4.050 4.674 -0.624 1
1 1524 . 15 1 1 A 132 132 GLU CA C 132 57.100 55.637 1.463 1
1 1525 . 15 1 1 A 132 132 GLU CB C 132 30.100 31.155 -1.055 1
1 1527 . 15 1 1 A 132 132 GLU N N 132 126.400 126.878 -0.478 1
1 1528 . 15 1 1 A 133 133 ILE H H 133 8.200 8.710 -0.510 1
1 1529 . 15 1 1 A 133 133 ILE HA H 133 4.740 4.781 -0.041 1
1 1539 . 15 1 1 A 133 133 ILE CA C 133 60.000 59.617 0.383 1
1 1540 . 15 1 1 A 133 133 ILE CB C 133 39.300 38.169 1.131 1
1 1544 . 15 1 1 A 133 133 ILE N N 133 124.500 126.149 -1.649 1
1 1545 . 15 1 1 A 134 134 ILE H H 134 9.000 9.600 -0.600 1
1 1546 . 15 1 1 A 134 134 ILE HA H 134 4.190 4.830 -0.640 1
1 1556 . 15 1 1 A 134 134 ILE CA C 134 59.000 59.506 -0.506 1
1 1557 . 15 1 1 A 134 134 ILE CB C 134 38.300 38.800 -0.500 1
1 1561 . 15 1 1 A 134 134 ILE N N 134 130.900 128.761 2.139 1
1 1562 . 15 1 1 A 135 135 LEU H H 135 8.360 9.123 -0.763 1
1 1563 . 15 1 1 A 135 135 LEU HA H 135 5.190 5.143 0.047 1
1 1573 . 15 1 1 A 135 135 LEU CA C 135 52.700 53.735 -1.035 1
1 1574 . 15 1 1 A 135 135 LEU CB C 135 42.800 42.815 -0.015 1
1 1578 . 15 1 1 A 135 135 LEU N N 135 127.100 128.432 -1.332 1
1 1579 . 15 1 1 A 136 136 LYS H H 136 8.790 9.368 -0.578 1
1 1580 . 15 1 1 A 136 136 LYS HA H 136 4.330 4.644 -0.314 1
1 1589 . 15 1 1 A 136 136 LYS CA C 136 55.600 54.606 0.994 1
1 1590 . 15 1 1 A 136 136 LYS CB C 136 34.600 34.942 -0.342 1
1 1594 . 15 1 1 A 136 136 LYS N N 136 125.100 124.513 0.587 1
1 1595 . 15 1 1 A 137 137 GLU H H 137 8.850 8.669 0.181 1
1 1596 . 15 1 1 A 137 137 GLU HA H 137 4.240 4.597 -0.357 1
1 1601 . 15 1 1 A 137 137 GLU CA C 137 57.600 55.905 1.695 1
1 1602 . 15 1 1 A 137 137 GLU CB C 137 29.900 31.219 -1.319 1
1 1604 . 15 1 1 A 137 137 GLU N N 137 121.100 119.636 1.464 1
1 1605 . 15 1 1 A 138 138 GLU H H 138 8.150 7.494 0.656 1
1 1606 . 15 1 1 A 138 138 GLU HA H 138 4.370 4.491 -0.121 1
1 1611 . 15 1 1 A 138 138 GLU CA C 138 55.800 55.721 0.079 1
1 1612 . 15 1 1 A 138 138 GLU CB C 138 30.700 30.547 0.153 1
1 1614 . 15 1 1 A 138 138 GLU N N 138 119.300 118.763 0.537 1
1 1615 . 15 1 1 A 139 139 LEU H H 139 8.240 8.392 -0.152 1
1 1616 . 15 1 1 A 139 139 LEU HA H 139 4.180 4.364 -0.184 1
1 1626 . 15 1 1 A 139 139 LEU CA C 139 55.400 54.278 1.122 1
1 1627 . 15 1 1 A 139 139 LEU CB C 139 42.300 42.446 -0.146 1
1 1631 . 15 1 1 A 139 139 LEU N N 139 122.800 124.935 -2.135 1
1 1632 . 15 1 1 A 140 140 GLU H H 140 8.250 8.761 -0.511 1
1 1633 . 15 1 1 A 140 140 GLU HA H 140 4.150 5.035 -0.885 1
1 1638 . 15 1 1 A 140 140 GLU CA C 140 56.400 54.868 1.532 1
1 1639 . 15 1 1 A 140 140 GLU CB C 140 29.900 31.497 -1.597 1
1 1641 . 15 1 1 A 140 140 GLU N N 140 120.700 119.175 1.525 1
1 1642 . 15 1 1 A 141 141 HIS H H 141 8.400 8.892 -0.492 1
1 13 . 16 1 1 A 2 2 ILE H H 2 8.780 8.772 0.008 1
1 14 . 16 1 1 A 2 2 ILE HA H 2 5.060 4.990 0.070 1
1 24 . 16 1 1 A 2 2 ILE CA C 2 58.500 58.781 -0.281 1
1 25 . 16 1 1 A 2 2 ILE CB C 2 41.300 40.655 0.645 1
1 29 . 16 1 1 A 2 2 ILE N N 2 124.600 121.212 3.388 1
1 30 . 16 1 1 A 3 3 THR H H 3 8.280 8.860 -0.580 1
1 31 . 16 1 1 A 3 3 THR HA H 3 5.350 5.314 0.036 1
1 36 . 16 1 1 A 3 3 THR CA C 3 60.900 61.671 -0.771 1
1 37 . 16 1 1 A 3 3 THR CB C 3 69.900 70.470 -0.570 1
1 39 . 16 1 1 A 3 3 THR N N 3 123.200 123.457 -0.257 1
1 40 . 16 1 1 A 4 4 LEU H H 4 8.710 9.076 -0.366 1
1 41 . 16 1 1 A 4 4 LEU HA H 4 5.040 5.101 -0.061 1
1 51 . 16 1 1 A 4 4 LEU CA C 4 53.800 53.356 0.444 1
1 52 . 16 1 1 A 4 4 LEU CB C 4 45.800 45.864 -0.064 1
1 56 . 16 1 1 A 4 4 LEU N N 4 127.600 122.005 5.595 1
1 57 . 16 1 1 A 5 5 THR H H 5 8.440 8.172 0.268 1
1 58 . 16 1 1 A 5 5 THR HA H 5 5.040 5.325 -0.285 1
1 63 . 16 1 1 A 5 5 THR CA C 5 59.300 59.657 -0.357 1
1 64 . 16 1 1 A 5 5 THR CB C 5 71.000 71.974 -0.974 1
1 66 . 16 1 1 A 5 5 THR N N 5 109.500 111.293 -1.793 1
1 67 . 16 1 1 A 6 6 LYS H H 6 8.730 8.884 -0.154 1
1 68 . 16 1 1 A 6 6 LYS HA H 6 3.810 3.943 -0.133 1
1 77 . 16 1 1 A 6 6 LYS CA C 6 60.000 60.317 -0.317 1
1 78 . 16 1 1 A 6 6 LYS CB C 6 32.000 31.985 0.015 1
1 82 . 16 1 1 A 6 6 LYS N N 6 121.500 122.615 -1.115 1
1 83 . 16 1 1 A 7 7 LYS H H 7 8.290 7.929 0.361 1
1 84 . 16 1 1 A 7 7 LYS HA H 7 3.990 3.904 0.086 1
1 93 . 16 1 1 A 7 7 LYS CA C 7 59.200 59.488 -0.288 1
1 94 . 16 1 1 A 7 7 LYS CB C 7 32.400 32.113 0.287 1
1 98 . 16 1 1 A 7 7 LYS N N 7 118.800 118.696 0.104 1
1 99 . 16 1 1 A 8 8 GLN H H 8 7.650 7.384 0.266 1
1 100 . 16 1 1 A 8 8 GLN HA H 8 3.890 3.941 -0.051 1
1 107 . 16 1 1 A 8 8 GLN CA C 8 58.100 59.085 -0.985 1
1 108 . 16 1 1 A 8 8 GLN CB C 8 27.400 28.684 -1.284 1
1 110 . 16 1 1 A 8 8 GLN N N 8 119.800 118.152 1.648 1
1 112 . 16 1 1 A 9 9 MET H H 9 8.130 8.011 0.119 1
1 113 . 16 1 1 A 9 9 MET HA H 9 4.130 3.902 0.228 1
1 121 . 16 1 1 A 9 9 MET CA C 9 57.500 58.426 -0.926 1
1 122 . 16 1 1 A 9 9 MET CB C 9 30.900 31.939 -1.039 1
1 125 . 16 1 1 A 9 9 MET N N 9 118.300 119.537 -1.237 1
1 126 . 16 1 1 A 10 10 GLU H H 10 8.460 8.523 -0.063 1
1 127 . 16 1 1 A 10 10 GLU HA H 10 3.890 3.949 -0.059 1
1 132 . 16 1 1 A 10 10 GLU CA C 10 59.100 59.552 -0.452 1
1 133 . 16 1 1 A 10 10 GLU CB C 10 28.500 29.531 -1.031 1
1 135 . 16 1 1 A 10 10 GLU N N 10 118.500 118.016 0.484 1
1 136 . 16 1 1 A 11 11 GLU H H 11 8.200 8.399 -0.199 1
1 137 . 16 1 1 A 11 11 GLU HA H 11 4.070 4.022 0.048 1
1 142 . 16 1 1 A 11 11 GLU CA C 11 59.200 59.046 0.154 1
1 143 . 16 1 1 A 11 11 GLU CB C 11 28.900 29.210 -0.310 1
1 145 . 16 1 1 A 11 11 GLU N N 11 120.800 120.713 0.087 1
1 146 . 16 1 1 A 12 12 MET H H 12 7.780 8.427 -0.647 1
1 147 . 16 1 1 A 12 12 MET HA H 12 3.390 3.920 -0.530 1
1 155 . 16 1 1 A 12 12 MET CA C 12 60.600 58.414 2.186 1
1 156 . 16 1 1 A 12 12 MET CB C 12 33.900 33.266 0.634 1
1 159 . 16 1 1 A 12 12 MET N N 12 119.300 118.871 0.429 1
1 160 . 16 1 1 A 13 13 LEU H H 13 8.340 8.795 -0.455 1
1 161 . 16 1 1 A 13 13 LEU HA H 13 3.770 4.018 -0.248 1
1 171 . 16 1 1 A 13 13 LEU CA C 13 58.000 57.945 0.055 1
1 172 . 16 1 1 A 13 13 LEU CB C 13 41.400 41.717 -0.317 1
1 176 . 16 1 1 A 13 13 LEU N N 13 118.600 119.751 -1.151 1
1 177 . 16 1 1 A 14 14 ALA H H 14 8.620 8.748 -0.128 1
1 178 . 16 1 1 A 14 14 ALA HA H 14 4.100 4.092 0.008 1
1 182 . 16 1 1 A 14 14 ALA CA C 14 55.200 55.323 -0.123 1
1 183 . 16 1 1 A 14 14 ALA CB C 14 17.800 18.272 -0.472 1
1 184 . 16 1 1 A 14 14 ALA N N 14 121.500 121.019 0.481 1
1 185 . 16 1 1 A 15 15 HIS H H 15 7.780 7.631 0.149 1
1 186 . 16 1 1 A 15 15 HIS HA H 15 4.460 4.309 0.151 1
1 190 . 16 1 1 A 15 15 HIS CA C 15 59.000 59.753 -0.753 1
1 191 . 16 1 1 A 15 15 HIS CB C 15 29.300 29.640 -0.340 1
1 193 . 16 1 1 A 15 15 HIS N N 15 116.700 117.873 -1.173 1
1 194 . 16 1 1 A 16 16 ALA H H 16 8.390 8.757 -0.367 1
1 195 . 16 1 1 A 16 16 ALA HA H 16 4.100 4.018 0.082 1
1 199 . 16 1 1 A 16 16 ALA CA C 16 54.500 55.416 -0.916 1
1 200 . 16 1 1 A 16 16 ALA CB C 16 18.200 18.446 -0.246 1
1 201 . 16 1 1 A 16 16 ALA N N 16 120.000 121.248 -1.248 1
1 202 . 16 1 1 A 17 17 ARG H H 17 8.820 8.574 0.246 1
1 203 . 16 1 1 A 17 17 ARG HA H 17 3.890 4.162 -0.272 1
1 210 . 16 1 1 A 17 17 ARG CA C 17 59.900 59.998 -0.098 1
1 211 . 16 1 1 A 17 17 ARG CB C 17 30.100 29.953 0.147 1
1 214 . 16 1 1 A 17 17 ARG N N 17 118.900 117.696 1.204 1
1 215 . 16 1 1 A 18 18 GLN H H 18 8.130 7.694 0.436 1
1 216 . 16 1 1 A 18 18 GLN HA H 18 4.060 4.093 -0.033 1
1 223 . 16 1 1 A 18 18 GLN CA C 18 57.900 58.458 -0.558 1
1 224 . 16 1 1 A 18 18 GLN CB C 18 28.000 28.366 -0.366 1
1 226 . 16 1 1 A 18 18 GLN N N 18 118.100 118.786 -0.686 1
1 228 . 16 1 1 A 19 19 ALA H H 19 7.090 7.179 -0.089 1
1 229 . 16 1 1 A 19 19 ALA HA H 19 4.220 4.319 -0.099 1
1 233 . 16 1 1 A 19 19 ALA CA C 19 52.300 51.607 0.693 1
1 234 . 16 1 1 A 19 19 ALA CB C 19 20.600 19.431 1.169 1
1 235 . 16 1 1 A 19 19 ALA N N 19 117.600 119.282 -1.682 1
1 236 . 16 1 1 A 20 20 LEU H H 20 7.020 7.037 -0.017 1
1 237 . 16 1 1 A 20 20 LEU HA H 20 4.110 4.408 -0.298 1
1 247 . 16 1 1 A 20 20 LEU CA C 20 54.600 53.752 0.848 1
1 248 . 16 1 1 A 20 20 LEU CB C 20 40.400 41.291 -0.891 1
1 252 . 16 1 1 A 20 20 LEU N N 20 117.900 122.724 -4.824 1
1 253 . 16 1 1 A 21 21 PRO HA H 21 4.320 4.726 -0.406 1
1 260 . 16 1 1 A 21 21 PRO CA C 21 63.700 62.453 1.247 1
1 261 . 16 1 1 A 21 21 PRO CB C 21 35.000 29.520 5.480 1
1 264 . 16 1 1 A 22 22 ASN H H 22 8.690 7.950 0.740 1
1 265 . 16 1 1 A 22 22 ASN HA H 22 4.570 5.352 -0.782 1
1 270 . 16 1 1 A 22 22 ASN CA C 22 52.400 51.603 0.797 1
1 271 . 16 1 1 A 22 22 ASN CB C 22 40.000 41.950 -1.950 1
1 272 . 16 1 1 A 22 22 ASN N N 22 122.000 121.455 0.545 1
1 274 . 16 1 1 A 23 23 GLU H H 23 8.540 8.090 0.450 1
1 275 . 16 1 1 A 23 23 GLU HA H 23 4.050 5.243 -1.193 1
1 280 . 16 1 1 A 23 23 GLU CA C 23 57.300 55.809 1.491 1
1 281 . 16 1 1 A 23 23 GLU CB C 23 29.000 28.819 0.181 1
1 283 . 16 1 1 A 23 23 GLU N N 23 116.100 120.787 -4.687 1
1 284 . 16 1 1 A 24 24 ALA H H 24 8.390 8.129 0.261 1
1 285 . 16 1 1 A 24 24 ALA HA H 24 5.040 4.590 0.450 1
1 289 . 16 1 1 A 24 24 ALA CA C 24 48.900 52.991 -4.091 1
1 290 . 16 1 1 A 24 24 ALA CB C 24 23.200 18.969 4.231 1
1 291 . 16 1 1 A 24 24 ALA N N 24 124.800 127.613 -2.813 1
1 292 . 16 1 1 A 25 25 CYS H H 25 8.910 8.590 0.320 1
1 293 . 16 1 1 A 25 25 CYS HA H 25 5.000 5.715 -0.715 1
1 296 . 16 1 1 A 25 25 CYS CA C 25 55.000 57.218 -2.218 1
1 297 . 16 1 1 A 25 25 CYS CB C 25 32.600 31.403 1.197 1
1 298 . 16 1 1 A 25 25 CYS N N 25 111.700 123.395 -11.695 1
1 299 . 16 1 1 A 26 26 GLY H H 26 7.110 7.567 -0.457 1
1 300 . 16 1 1 A 26 26 GLY HA2 H 26 3.820 3.947 -0.127 1
1 301 . 16 1 1 A 26 26 GLY HA3 H 26 4.070 4.142 -0.072 1
1 302 . 16 1 1 A 26 26 GLY CA C 26 46.500 46.059 0.441 1
1 303 . 16 1 1 A 26 26 GLY N N 26 103.200 109.408 -6.208 1
1 304 . 16 1 1 A 27 27 LEU H H 27 8.830 8.703 0.127 1
1 305 . 16 1 1 A 27 27 LEU HA H 27 5.200 5.367 -0.167 1
1 315 . 16 1 1 A 27 27 LEU CA C 27 53.200 53.437 -0.237 1
1 316 . 16 1 1 A 27 27 LEU CB C 27 46.600 45.719 0.881 1
1 320 . 16 1 1 A 27 27 LEU N N 27 116.700 122.125 -5.425 1
1 321 . 16 1 1 A 28 28 LEU H H 28 8.060 8.741 -0.681 1
1 322 . 16 1 1 A 28 28 LEU HA H 28 5.200 5.419 -0.219 1
1 332 . 16 1 1 A 28 28 LEU CA C 28 53.400 53.023 0.377 1
1 333 . 16 1 1 A 28 28 LEU CB C 28 44.900 45.025 -0.125 1
1 337 . 16 1 1 A 28 28 LEU N N 28 118.200 121.642 -3.442 1
1 338 . 16 1 1 A 29 29 GLY H H 29 9.210 8.732 0.478 1
1 339 . 16 1 1 A 29 29 GLY HA2 H 29 3.750 4.243 -0.493 1
1 340 . 16 1 1 A 29 29 GLY HA3 H 29 5.800 4.327 1.473 1
1 341 . 16 1 1 A 29 29 GLY CA C 29 43.600 44.415 -0.815 1
1 342 . 16 1 1 A 29 29 GLY N N 29 109.500 111.879 -2.379 1
1 343 . 16 1 1 A 30 30 GLY H H 30 9.520 8.236 1.284 1
1 344 . 16 1 1 A 30 30 GLY HA2 H 30 3.210 3.641 -0.431 1
1 345 . 16 1 1 A 30 30 GLY HA3 H 30 4.800 4.046 0.754 1
1 346 . 16 1 1 A 30 30 GLY CA C 30 47.500 45.389 2.111 1
1 347 . 16 1 1 A 30 30 GLY N N 30 111.700 108.524 3.176 1
1 348 . 16 1 1 A 31 31 ARG H H 31 8.900 8.178 0.722 1
1 349 . 16 1 1 A 31 31 ARG HA H 31 5.170 5.376 -0.206 1
1 356 . 16 1 1 A 31 31 ARG CA C 31 54.200 54.704 -0.504 1
1 357 . 16 1 1 A 31 31 ARG CB C 31 34.200 33.402 0.798 1
1 360 . 16 1 1 A 31 31 ARG N N 31 123.000 121.229 1.771 1
1 361 . 16 1 1 A 32 32 ARG H H 32 9.070 9.055 0.015 1
1 362 . 16 1 1 A 32 32 ARG HA H 32 5.140 5.222 -0.082 1
1 369 . 16 1 1 A 32 32 ARG CA C 32 54.700 54.811 -0.111 1
1 370 . 16 1 1 A 32 32 ARG CB C 32 33.700 32.287 1.413 1
1 373 . 16 1 1 A 32 32 ARG N N 32 121.500 124.493 -2.993 1
1 374 . 16 1 1 A 33 33 ASP H H 33 8.640 8.899 -0.259 1
1 375 . 16 1 1 A 33 33 ASP HA H 33 4.850 5.035 -0.185 1
1 378 . 16 1 1 A 33 33 ASP CA C 33 53.400 53.279 0.121 1
1 379 . 16 1 1 A 33 33 ASP CB C 33 42.100 41.497 0.603 1
1 380 . 16 1 1 A 33 33 ASP N N 33 124.200 123.389 0.811 1
1 381 . 16 1 1 A 34 34 GLY H H 34 9.020 7.326 1.694 1
1 382 . 16 1 1 A 34 34 GLY HA2 H 34 3.670 4.128 -0.458 1
1 383 . 16 1 1 A 34 34 GLY HA3 H 34 4.000 4.131 -0.131 1
1 384 . 16 1 1 A 34 34 GLY CA C 34 47.200 44.975 2.225 1
1 385 . 16 1 1 A 34 34 GLY N N 34 115.900 107.362 8.538 1
1 386 . 16 1 1 A 35 35 ASP H H 35 9.070 8.752 0.318 1
1 387 . 16 1 1 A 35 35 ASP HA H 35 4.650 4.552 0.098 1
1 390 . 16 1 1 A 35 35 ASP CA C 35 54.800 54.648 0.152 1
1 391 . 16 1 1 A 35 35 ASP CB C 35 41.000 41.701 -0.701 1
1 392 . 16 1 1 A 35 35 ASP N N 35 127.300 126.383 0.917 1
1 393 . 16 1 1 A 36 36 ASP H H 36 8.070 7.515 0.555 1
1 394 . 16 1 1 A 36 36 ASP HA H 36 4.950 4.647 0.303 1
1 397 . 16 1 1 A 36 36 ASP CA C 36 53.700 52.344 1.356 1
1 398 . 16 1 1 A 36 36 ASP CB C 36 41.700 42.109 -0.409 1
1 399 . 16 1 1 A 36 36 ASP N N 36 120.600 117.368 3.232 1
1 400 . 16 1 1 A 37 37 ARG H H 37 8.070 8.512 -0.442 1
1 401 . 16 1 1 A 37 37 ARG HA H 37 4.850 5.128 -0.278 1
1 408 . 16 1 1 A 37 37 ARG CA C 37 55.400 54.147 1.253 1
1 409 . 16 1 1 A 37 37 ARG CB C 37 32.900 33.217 -0.317 1
1 412 . 16 1 1 A 37 37 ARG N N 37 120.800 119.826 0.974 1
1 413 . 16 1 1 A 38 38 TRP H H 38 9.380 9.115 0.265 1
1 414 . 16 1 1 A 38 38 TRP HA H 38 4.840 5.364 -0.524 1
1 423 . 16 1 1 A 38 38 TRP CA C 38 57.000 55.364 1.636 1
1 424 . 16 1 1 A 38 38 TRP CB C 38 30.100 31.587 -1.487 1
1 430 . 16 1 1 A 38 38 TRP N N 38 124.900 122.619 2.281 1
1 432 . 16 1 1 A 39 39 VAL H H 39 8.450 9.310 -0.860 1
1 433 . 16 1 1 A 39 39 VAL HA H 39 3.390 4.172 -0.782 1
1 441 . 16 1 1 A 39 39 VAL CA C 39 64.500 62.657 1.843 1
1 442 . 16 1 1 A 39 39 VAL CB C 39 31.500 31.515 -0.015 1
1 445 . 16 1 1 A 39 39 VAL N N 39 124.400 125.187 -0.787 1
1 446 . 16 1 1 A 40 40 GLU H H 40 9.080 8.408 0.672 1
1 447 . 16 1 1 A 40 40 GLU HA H 40 4.350 4.385 -0.035 1
1 452 . 16 1 1 A 40 40 GLU CA C 40 54.900 56.637 -1.737 1
1 453 . 16 1 1 A 40 40 GLU CB C 40 29.500 30.684 -1.184 1
1 455 . 16 1 1 A 40 40 GLU N N 40 124.200 124.009 0.191 1
1 456 . 16 1 1 A 41 41 ARG H H 41 7.610 7.550 0.060 1
1 457 . 16 1 1 A 41 41 ARG HA H 41 4.070 4.750 -0.680 1
1 464 . 16 1 1 A 41 41 ARG CA C 41 56.800 55.055 1.745 1
1 465 . 16 1 1 A 41 41 ARG CB C 41 33.600 33.403 0.197 1
1 468 . 16 1 1 A 41 41 ARG N N 41 120.000 119.564 0.436 1
1 469 . 16 1 1 A 42 42 VAL H H 42 8.460 8.507 -0.047 1
1 470 . 16 1 1 A 42 42 VAL HA H 42 4.300 4.539 -0.239 1
1 478 . 16 1 1 A 42 42 VAL CA C 42 60.900 61.526 -0.626 1
1 479 . 16 1 1 A 42 42 VAL CB C 42 32.900 32.419 0.481 1
1 482 . 16 1 1 A 42 42 VAL N N 42 125.600 127.074 -1.474 1
1 483 . 16 1 1 A 43 43 TYR H H 43 9.070 8.841 0.229 1
1 484 . 16 1 1 A 43 43 TYR HA H 43 4.930 5.073 -0.143 1
1 491 . 16 1 1 A 43 43 TYR CA C 43 54.600 55.481 -0.881 1
1 492 . 16 1 1 A 43 43 TYR CB C 43 38.500 39.130 -0.630 1
1 495 . 16 1 1 A 43 43 TYR N N 43 124.800 126.850 -2.050 1
1 496 . 16 1 1 A 44 44 PRO HA H 44 4.260 4.476 -0.216 1
1 503 . 16 1 1 A 44 44 PRO CA C 44 63.200 62.530 0.670 1
1 504 . 16 1 1 A 44 44 PRO CB C 44 30.100 31.797 -1.697 1
1 507 . 16 1 1 A 45 45 LEU H H 45 8.270 8.520 -0.250 1
1 508 . 16 1 1 A 45 45 LEU HA H 45 4.930 4.824 0.106 1
1 518 . 16 1 1 A 45 45 LEU CA C 45 53.800 53.505 0.295 1
1 519 . 16 1 1 A 45 45 LEU CB C 45 45.600 43.246 2.354 1
1 523 . 16 1 1 A 45 45 LEU N N 45 125.800 124.153 1.647 1
1 524 . 16 1 1 A 46 46 ASN H H 46 9.120 8.852 0.268 1
1 525 . 16 1 1 A 46 46 ASN HA H 46 4.630 4.816 -0.186 1
1 530 . 16 1 1 A 46 46 ASN CA C 46 56.000 53.486 2.514 1
1 531 . 16 1 1 A 46 46 ASN CB C 46 39.000 39.247 -0.247 1
1 532 . 16 1 1 A 46 46 ASN N N 46 119.000 119.849 -0.849 1
1 534 . 16 1 1 A 47 47 ASN H H 47 8.460 8.588 -0.128 1
1 535 . 16 1 1 A 47 47 ASN HA H 47 5.260 5.176 0.084 1
1 540 . 16 1 1 A 47 47 ASN CA C 47 51.200 52.124 -0.924 1
1 541 . 16 1 1 A 47 47 ASN CB C 47 37.700 38.255 -0.555 1
1 542 . 16 1 1 A 47 47 ASN N N 47 118.500 122.384 -3.884 1
1 544 . 16 1 1 A 48 48 LEU H H 48 8.890 8.488 0.402 1
1 545 . 16 1 1 A 48 48 LEU HA H 48 4.070 4.210 -0.140 1
1 555 . 16 1 1 A 48 48 LEU CA C 48 56.800 57.228 -0.428 1
1 556 . 16 1 1 A 48 48 LEU CB C 48 41.600 42.581 -0.981 1
1 560 . 16 1 1 A 48 48 LEU N N 48 127.100 127.984 -0.884 1
1 561 . 16 1 1 A 49 49 ASP H H 49 7.820 7.559 0.261 1
1 562 . 16 1 1 A 49 49 ASP HA H 49 4.430 4.842 -0.412 1
1 565 . 16 1 1 A 49 49 ASP CA C 49 54.500 53.375 1.125 1
1 566 . 16 1 1 A 49 49 ASP CB C 49 40.100 42.331 -2.231 1
1 567 . 16 1 1 A 49 49 ASP N N 49 115.700 117.670 -1.970 1
1 568 . 16 1 1 A 50 50 GLN H H 50 7.770 8.775 -1.005 1
1 569 . 16 1 1 A 50 50 GLN HA H 50 3.880 4.422 -0.542 1
1 576 . 16 1 1 A 50 50 GLN CA C 50 56.000 55.588 0.412 1
1 577 . 16 1 1 A 50 50 GLN CB C 50 27.400 27.179 0.221 1
1 579 . 16 1 1 A 50 50 GLN N N 50 115.300 125.104 -9.804 1
1 581 . 16 1 1 A 51 51 SER H H 51 6.370 7.392 -1.022 1
1 582 . 16 1 1 A 51 51 SER HA H 51 5.210 4.791 0.419 1
1 585 . 16 1 1 A 51 51 SER CA C 51 53.700 55.363 -1.663 1
1 586 . 16 1 1 A 51 51 SER CB C 51 66.100 65.200 0.900 1
1 587 . 16 1 1 A 51 51 SER N N 51 109.000 117.669 -8.669 1
1 588 . 16 1 1 A 52 52 PRO HA H 52 4.830 4.603 0.227 1
1 595 . 16 1 1 A 52 52 PRO CA C 52 64.000 63.801 0.199 1
1 596 . 16 1 1 A 52 52 PRO CB C 52 33.300 32.467 0.833 1
1 599 . 16 1 1 A 53 53 GLU H H 53 8.320 7.954 0.366 1
1 600 . 16 1 1 A 53 53 GLU HA H 53 4.510 4.635 -0.125 1
1 605 . 16 1 1 A 53 53 GLU CA C 53 55.700 56.336 -0.636 1
1 606 . 16 1 1 A 53 53 GLU CB C 53 32.400 31.711 0.689 1
1 608 . 16 1 1 A 53 53 GLU N N 53 113.900 117.081 -3.181 1
1 609 . 16 1 1 A 54 54 HIS H H 54 7.070 7.678 -0.608 1
1 610 . 16 1 1 A 54 54 HIS HA H 54 4.750 5.214 -0.464 1
1 614 . 16 1 1 A 54 54 HIS CA C 54 54.100 54.861 -0.761 1
1 615 . 16 1 1 A 54 54 HIS CB C 54 31.100 33.639 -2.539 1
1 617 . 16 1 1 A 54 54 HIS N N 54 112.500 118.274 -5.774 1
1 618 . 16 1 1 A 55 55 PHE H H 55 7.900 8.548 -0.648 1
1 619 . 16 1 1 A 55 55 PHE HA H 55 5.580 5.662 -0.082 1
1 627 . 16 1 1 A 55 55 PHE CA C 55 55.400 55.108 0.292 1
1 628 . 16 1 1 A 55 55 PHE CB C 55 41.200 42.250 -1.050 1
1 632 . 16 1 1 A 55 55 PHE N N 55 114.900 118.373 -3.473 1
1 633 . 16 1 1 A 56 56 SER H H 56 7.690 8.765 -1.075 1
1 634 . 16 1 1 A 56 56 SER HA H 56 4.300 4.926 -0.626 1
1 637 . 16 1 1 A 56 56 SER CA C 56 57.800 58.158 -0.358 1
1 638 . 16 1 1 A 56 56 SER CB C 56 65.300 64.412 0.888 1
1 639 . 16 1 1 A 56 56 SER N N 56 112.900 116.760 -3.860 1
1 640 . 16 1 1 A 57 57 MET H H 57 8.750 8.773 -0.023 1
1 641 . 16 1 1 A 57 57 MET HA H 57 4.860 4.932 -0.072 1
1 649 . 16 1 1 A 57 57 MET CA C 57 54.400 54.928 -0.528 1
1 650 . 16 1 1 A 57 57 MET CB C 57 36.000 34.018 1.982 1
1 653 . 16 1 1 A 57 57 MET N N 57 120.000 125.038 -5.038 1
1 654 . 16 1 1 A 58 58 ASP H H 58 10.180 8.681 1.499 1
1 655 . 16 1 1 A 58 58 ASP HA H 58 4.740 5.082 -0.342 1
1 658 . 16 1 1 A 58 58 ASP CA C 58 51.700 50.698 1.002 1
1 659 . 16 1 1 A 58 58 ASP CB C 58 42.700 42.964 -0.264 1
1 660 . 16 1 1 A 58 58 ASP N N 58 126.600 127.556 -0.956 1
1 661 . 16 1 1 A 59 59 PRO HA H 59 4.400 4.437 -0.037 1
1 668 . 16 1 1 A 59 59 PRO CA C 59 65.300 65.315 -0.015 1
1 669 . 16 1 1 A 59 59 PRO CB C 59 32.300 31.780 0.520 1
1 672 . 16 1 1 A 60 60 ARG H H 60 8.520 8.463 0.057 1
1 673 . 16 1 1 A 60 60 ARG HA H 60 4.120 4.032 0.088 1
1 680 . 16 1 1 A 60 60 ARG CA C 60 59.200 59.490 -0.290 1
1 681 . 16 1 1 A 60 60 ARG CB C 60 29.500 29.948 -0.448 1
1 684 . 16 1 1 A 60 60 ARG N N 60 118.700 118.912 -0.212 1
1 685 . 16 1 1 A 61 61 GLU H H 61 7.730 8.325 -0.595 1
1 686 . 16 1 1 A 61 61 GLU HA H 61 4.190 4.140 0.050 1
1 691 . 16 1 1 A 61 61 GLU CA C 61 59.000 59.075 -0.075 1
1 692 . 16 1 1 A 61 61 GLU CB C 61 30.200 29.609 0.591 1
1 694 . 16 1 1 A 61 61 GLU N N 61 119.800 119.649 0.151 1
1 695 . 16 1 1 A 62 62 GLN H H 62 8.220 8.272 -0.052 1
1 696 . 16 1 1 A 62 62 GLN HA H 62 3.830 3.986 -0.156 1
1 703 . 16 1 1 A 62 62 GLN CA C 62 59.900 58.996 0.904 1
1 704 . 16 1 1 A 62 62 GLN CB C 62 29.000 28.199 0.801 1
1 706 . 16 1 1 A 62 62 GLN N N 62 118.700 118.934 -0.234 1
1 708 . 16 1 1 A 63 63 LEU H H 63 7.950 8.011 -0.061 1
1 709 . 16 1 1 A 63 63 LEU HA H 63 4.110 4.067 0.043 1
1 719 . 16 1 1 A 63 63 LEU CA C 63 58.000 58.123 -0.123 1
1 720 . 16 1 1 A 63 63 LEU CB C 63 41.400 41.687 -0.287 1
1 724 . 16 1 1 A 63 63 LEU N N 63 119.200 122.165 -2.965 1
1 725 . 16 1 1 A 64 64 THR H H 64 7.910 8.011 -0.101 1
1 726 . 16 1 1 A 64 64 THR HA H 64 3.790 3.934 -0.144 1
1 731 . 16 1 1 A 64 64 THR CA C 64 66.800 66.398 0.402 1
1 732 . 16 1 1 A 64 64 THR CB C 64 68.700 68.418 0.282 1
1 734 . 16 1 1 A 64 64 THR N N 64 116.000 114.690 1.310 1
1 735 . 16 1 1 A 65 65 ALA H H 65 7.520 7.715 -0.195 1
1 736 . 16 1 1 A 65 65 ALA HA H 65 3.970 4.204 -0.234 1
1 740 . 16 1 1 A 65 65 ALA CA C 65 55.100 55.083 0.017 1
1 741 . 16 1 1 A 65 65 ALA CB C 65 17.900 18.118 -0.218 1
1 742 . 16 1 1 A 65 65 ALA N N 65 125.200 123.703 1.497 1
1 743 . 16 1 1 A 66 66 VAL H H 66 8.420 8.169 0.251 1
1 744 . 16 1 1 A 66 66 VAL HA H 66 3.840 3.337 0.503 1
1 752 . 16 1 1 A 66 66 VAL CA C 66 66.200 67.044 -0.844 1
1 753 . 16 1 1 A 66 66 VAL CB C 66 31.700 31.458 0.242 1
1 756 . 16 1 1 A 66 66 VAL N N 66 119.300 119.040 0.260 1
1 757 . 16 1 1 A 67 67 LYS H H 67 8.570 8.198 0.372 1
1 758 . 16 1 1 A 67 67 LYS HA H 67 3.960 3.983 -0.023 1
1 767 . 16 1 1 A 67 67 LYS CA C 67 60.300 59.834 0.466 1
1 768 . 16 1 1 A 67 67 LYS CB C 67 32.200 32.338 -0.138 1
1 772 . 16 1 1 A 67 67 LYS N N 67 120.600 119.949 0.651 1
1 773 . 16 1 1 A 68 68 ASP H H 68 7.660 7.872 -0.212 1
1 774 . 16 1 1 A 68 68 ASP HA H 68 4.290 4.489 -0.199 1
1 777 . 16 1 1 A 68 68 ASP CA C 68 58.300 57.694 0.606 1
1 778 . 16 1 1 A 68 68 ASP CB C 68 42.700 41.128 1.572 1
1 779 . 16 1 1 A 68 68 ASP N N 68 121.500 119.687 1.813 1
1 780 . 16 1 1 A 69 69 MET H H 69 8.620 8.104 0.516 1
1 781 . 16 1 1 A 69 69 MET HA H 69 4.250 4.224 0.026 1
1 789 . 16 1 1 A 69 69 MET CA C 69 60.300 58.557 1.743 1
1 790 . 16 1 1 A 69 69 MET CB C 69 32.700 31.831 0.869 1
1 793 . 16 1 1 A 69 69 MET N N 69 120.100 119.198 0.902 1
1 794 . 16 1 1 A 70 70 ARG H H 70 8.500 8.496 0.004 1
1 795 . 16 1 1 A 70 70 ARG HA H 70 4.110 4.084 0.026 1
1 802 . 16 1 1 A 70 70 ARG CA C 70 59.200 58.623 0.577 1
1 803 . 16 1 1 A 70 70 ARG CB C 70 29.600 29.562 0.038 1
1 806 . 16 1 1 A 70 70 ARG N N 70 119.000 118.128 0.872 1
1 807 . 16 1 1 A 71 71 LYS H H 71 8.020 7.990 0.030 1
1 808 . 16 1 1 A 71 71 LYS HA H 71 3.970 4.036 -0.066 1
1 817 . 16 1 1 A 71 71 LYS CA C 71 58.800 59.441 -0.641 1
1 818 . 16 1 1 A 71 71 LYS CB C 71 32.000 32.110 -0.110 1
1 822 . 16 1 1 A 71 71 LYS N N 71 121.100 119.809 1.291 1
1 823 . 16 1 1 A 72 72 ASN H H 72 6.960 7.829 -0.869 1
1 824 . 16 1 1 A 72 72 ASN HA H 72 4.090 4.711 -0.621 1
1 829 . 16 1 1 A 72 72 ASN CA C 72 53.300 53.245 0.055 1
1 830 . 16 1 1 A 72 72 ASN CB C 72 39.000 38.827 0.173 1
1 831 . 16 1 1 A 72 72 ASN N N 72 114.600 114.301 0.299 1
1 833 . 16 1 1 A 73 73 GLY H H 73 7.560 8.140 -0.580 1
1 834 . 16 1 1 A 73 73 GLY HA2 H 73 3.890 3.752 0.138 1
1 835 . 16 1 1 A 73 73 GLY HA3 H 73 3.760 3.836 -0.076 1
1 836 . 16 1 1 A 73 73 GLY CA C 73 45.900 45.550 0.350 1
1 837 . 16 1 1 A 73 73 GLY N N 73 106.700 107.336 -0.636 1
1 838 . 16 1 1 A 74 74 TRP H H 74 8.240 7.600 0.640 1
1 839 . 16 1 1 A 74 74 TRP HA H 74 5.260 4.972 0.288 1
1 848 . 16 1 1 A 74 74 TRP CA C 74 53.100 56.926 -3.826 1
1 849 . 16 1 1 A 74 74 TRP CB C 74 31.400 33.343 -1.943 1
1 855 . 16 1 1 A 74 74 TRP N N 74 120.700 120.401 0.299 1
1 857 . 16 1 1 A 75 75 VAL H H 75 9.410 9.151 0.259 1
1 858 . 16 1 1 A 75 75 VAL HA H 75 4.800 4.860 -0.060 1
1 866 . 16 1 1 A 75 75 VAL CA C 75 58.500 59.214 -0.714 1
1 867 . 16 1 1 A 75 75 VAL CB C 75 35.500 35.475 0.025 1
1 870 . 16 1 1 A 75 75 VAL N N 75 112.100 116.233 -4.133 1
1 871 . 16 1 1 A 76 76 MET H H 76 8.800 8.623 0.177 1
1 872 . 16 1 1 A 76 76 MET HA H 76 4.650 4.537 0.113 1
1 880 . 16 1 1 A 76 76 MET CA C 76 56.900 55.128 1.772 1
1 881 . 16 1 1 A 76 76 MET CB C 76 32.600 32.910 -0.310 1
1 884 . 16 1 1 A 76 76 MET N N 76 122.400 122.912 -0.512 1
1 885 . 16 1 1 A 77 77 LEU H H 77 8.780 8.788 -0.008 1
1 886 . 16 1 1 A 77 77 LEU HA H 77 4.480 4.329 0.151 1
1 896 . 16 1 1 A 77 77 LEU CA C 77 54.100 56.073 -1.973 1
1 897 . 16 1 1 A 77 77 LEU CB C 77 44.700 42.869 1.831 1
1 901 . 16 1 1 A 77 77 LEU N N 77 125.600 127.816 -2.216 1
1 902 . 16 1 1 A 78 78 GLY H H 78 7.590 6.942 0.648 1
1 903 . 16 1 1 A 78 78 GLY HA2 H 78 5.150 4.027 1.123 1
1 904 . 16 1 1 A 78 78 GLY HA3 H 78 3.660 4.069 -0.409 1
1 905 . 16 1 1 A 78 78 GLY CA C 78 45.700 45.660 0.040 1
1 906 . 16 1 1 A 78 78 GLY N N 78 102.900 104.722 -1.822 1
1 907 . 16 1 1 A 79 79 ASN H H 79 8.520 8.555 -0.035 1
1 908 . 16 1 1 A 79 79 ASN HA H 79 5.230 5.704 -0.474 1
1 913 . 16 1 1 A 79 79 ASN CA C 79 51.100 51.801 -0.701 1
1 914 . 16 1 1 A 79 79 ASN CB C 79 41.500 42.225 -0.725 1
1 915 . 16 1 1 A 79 79 ASN N N 79 115.600 118.065 -2.465 1
1 917 . 16 1 1 A 80 80 PHE H H 80 8.410 8.326 0.084 1
1 918 . 16 1 1 A 80 80 PHE HA H 80 6.120 6.001 0.119 1
1 926 . 16 1 1 A 80 80 PHE CA C 80 54.500 56.107 -1.607 1
1 927 . 16 1 1 A 80 80 PHE CB C 80 44.800 43.456 1.344 1
1 931 . 16 1 1 A 80 80 PHE N N 80 113.100 116.377 -3.277 1
1 932 . 16 1 1 A 81 81 HIS H H 81 8.310 9.221 -0.911 1
1 933 . 16 1 1 A 81 81 HIS HA H 81 5.300 5.996 -0.696 1
1 938 . 16 1 1 A 81 81 HIS CA C 81 54.400 54.725 -0.325 1
1 939 . 16 1 1 A 81 81 HIS CB C 81 30.300 32.509 -2.209 1
1 942 . 16 1 1 A 81 81 HIS N N 81 111.600 116.445 -4.845 1
1 943 . 16 1 1 A 82 82 SER H H 82 8.390 8.957 -0.567 1
1 944 . 16 1 1 A 82 82 SER HA H 82 5.510 5.561 -0.051 1
1 947 . 16 1 1 A 82 82 SER CA C 82 54.800 55.914 -1.114 1
1 948 . 16 1 1 A 82 82 SER CB C 82 66.700 66.237 0.463 1
1 949 . 16 1 1 A 82 82 SER N N 82 112.700 115.581 -2.881 1
1 950 . 16 1 1 A 83 83 HIS H H 83 8.890 9.237 -0.347 1
1 951 . 16 1 1 A 83 83 HIS HA H 83 5.480 4.842 0.638 1
1 956 . 16 1 1 A 83 83 HIS CA C 83 49.900 54.301 -4.401 1
1 957 . 16 1 1 A 83 83 HIS CB C 83 32.000 30.924 1.076 1
1 960 . 16 1 1 A 83 83 HIS N N 83 115.200 119.706 -4.506 1
1 961 . 16 1 1 A 84 84 PRO HA H 84 3.940 4.325 -0.385 1
1 968 . 16 1 1 A 84 84 PRO CA C 84 65.600 65.404 0.196 1
1 969 . 16 1 1 A 84 84 PRO CB C 84 33.300 31.746 1.554 1
1 972 . 16 1 1 A 85 85 ALA H H 85 8.410 8.214 0.196 1
1 973 . 16 1 1 A 85 85 ALA HA H 85 4.670 4.596 0.074 1
1 977 . 16 1 1 A 85 85 ALA CA C 85 51.300 52.008 -0.708 1
1 978 . 16 1 1 A 85 85 ALA CB C 85 21.200 20.832 0.368 1
1 979 . 16 1 1 A 85 85 ALA N N 85 112.800 119.195 -6.395 1
1 980 . 16 1 1 A 86 86 THR H H 86 7.070 7.432 -0.362 1
1 981 . 16 1 1 A 86 86 THR HA H 86 4.960 4.963 -0.003 1
1 986 . 16 1 1 A 86 86 THR CA C 86 58.600 58.981 -0.381 1
1 987 . 16 1 1 A 86 86 THR CB C 86 69.500 69.935 -0.435 1
1 989 . 16 1 1 A 86 86 THR N N 86 109.200 109.457 -0.257 1
1 990 . 16 1 1 A 87 87 PRO HA H 87 4.630 4.625 0.005 1
1 997 . 16 1 1 A 87 87 PRO CA C 87 62.700 62.520 0.180 1
1 998 . 16 1 1 A 87 87 PRO CB C 87 33.500 32.191 1.309 1
1 1001 . 16 1 1 A 88 88 ALA H H 88 9.760 8.340 1.420 1
1 1002 . 16 1 1 A 88 88 ALA HA H 88 3.960 4.423 -0.463 1
1 1006 . 16 1 1 A 88 88 ALA CA C 88 51.700 51.694 0.006 1
1 1007 . 16 1 1 A 88 88 ALA CB C 88 16.300 18.843 -2.543 1
1 1008 . 16 1 1 A 88 88 ALA N N 88 127.600 123.991 3.609 1
1 1009 . 16 1 1 A 89 89 ARG H H 89 7.570 7.836 -0.266 1
1 1010 . 16 1 1 A 89 89 ARG HA H 89 4.280 4.252 0.028 1
1 1017 . 16 1 1 A 89 89 ARG CA C 89 53.200 52.487 0.713 1
1 1018 . 16 1 1 A 89 89 ARG CB C 89 31.300 32.773 -1.473 1
1 1021 . 16 1 1 A 89 89 ARG N N 89 118.300 122.594 -4.294 1
1 1022 . 16 1 1 A 90 90 PRO HA H 90 4.510 4.355 0.155 1
1 1029 . 16 1 1 A 90 90 PRO CA C 90 62.900 62.913 -0.013 1
1 1030 . 16 1 1 A 90 90 PRO CB C 90 31.300 31.606 -0.306 1
1 1033 . 16 1 1 A 91 91 SER H H 91 9.630 8.763 0.867 1
1 1034 . 16 1 1 A 91 91 SER HA H 91 4.600 4.618 -0.018 1
1 1037 . 16 1 1 A 91 91 SER CA C 91 56.500 58.451 -1.951 1
1 1038 . 16 1 1 A 91 91 SER CB C 91 66.000 63.853 2.147 1
1 1039 . 16 1 1 A 91 91 SER N N 91 122.500 117.632 4.868 1
1 1040 . 16 1 1 A 92 92 ALA H H 92 8.910 9.088 -0.178 1
1 1041 . 16 1 1 A 92 92 ALA HA H 92 3.980 4.022 -0.042 1
1 1045 . 16 1 1 A 92 92 ALA CA C 92 55.900 55.409 0.491 1
1 1046 . 16 1 1 A 92 92 ALA CB C 92 17.800 18.117 -0.317 1
1 1047 . 16 1 1 A 92 92 ALA N N 92 123.000 129.830 -6.830 1
1 1048 . 16 1 1 A 93 93 GLU H H 93 8.370 8.144 0.226 1
1 1049 . 16 1 1 A 93 93 GLU HA H 93 4.070 4.082 -0.012 1
1 1054 . 16 1 1 A 93 93 GLU CA C 93 58.900 58.842 0.058 1
1 1055 . 16 1 1 A 93 93 GLU CB C 93 28.800 29.270 -0.470 1
1 1057 . 16 1 1 A 93 93 GLU N N 93 118.800 118.640 0.160 1
1 1058 . 16 1 1 A 94 94 ASP H H 94 7.770 8.395 -0.625 1
1 1059 . 16 1 1 A 94 94 ASP HA H 94 4.260 4.629 -0.369 1
1 1062 . 16 1 1 A 94 94 ASP CA C 94 57.100 57.407 -0.307 1
1 1063 . 16 1 1 A 94 94 ASP CB C 94 40.200 41.864 -1.664 1
1 1064 . 16 1 1 A 94 94 ASP N N 94 119.200 120.220 -1.020 1
1 1065 . 16 1 1 A 95 95 LYS H H 95 7.830 8.185 -0.355 1
1 1066 . 16 1 1 A 95 95 LYS HA H 95 3.720 3.816 -0.096 1
1 1075 . 16 1 1 A 95 95 LYS CA C 95 59.500 59.008 0.492 1
1 1076 . 16 1 1 A 95 95 LYS CB C 95 31.900 32.025 -0.125 1
1 1080 . 16 1 1 A 95 95 LYS N N 95 116.400 119.643 -3.243 1
1 1081 . 16 1 1 A 96 96 ARG H H 96 7.570 7.399 0.171 1
1 1082 . 16 1 1 A 96 96 ARG HA H 96 3.940 3.934 0.006 1
1 1089 . 16 1 1 A 96 96 ARG CA C 96 58.500 58.877 -0.377 1
1 1090 . 16 1 1 A 96 96 ARG CB C 96 30.100 30.127 -0.027 1
1 1093 . 16 1 1 A 96 96 ARG N N 96 119.400 118.934 0.466 1
1 1094 . 16 1 1 A 97 97 LEU H H 97 7.270 7.831 -0.561 1
1 1095 . 16 1 1 A 97 97 LEU HA H 97 4.030 4.070 -0.040 1
1 1105 . 16 1 1 A 97 97 LEU CA C 97 54.400 55.359 -0.959 1
1 1106 . 16 1 1 A 97 97 LEU CB C 97 41.600 41.767 -0.167 1
1 1110 . 16 1 1 A 97 97 LEU N N 97 116.100 118.521 -2.421 1
1 1111 . 16 1 1 A 98 98 ALA H H 98 6.950 7.259 -0.309 1
1 1112 . 16 1 1 A 98 98 ALA HA H 98 4.230 4.233 -0.003 1
1 1116 . 16 1 1 A 98 98 ALA CA C 98 50.800 50.960 -0.160 1
1 1117 . 16 1 1 A 98 98 ALA CB C 98 16.700 17.108 -0.408 1
1 1118 . 16 1 1 A 98 98 ALA N N 98 124.800 121.640 3.160 1
1 1119 . 16 1 1 A 99 99 PHE H H 99 7.630 8.214 -0.584 1
1 1120 . 16 1 1 A 99 99 PHE HA H 99 4.490 4.442 0.048 1
1 1128 . 16 1 1 A 99 99 PHE CA C 99 58.200 59.192 -0.992 1
1 1129 . 16 1 1 A 99 99 PHE CB C 99 39.500 39.079 0.421 1
1 1133 . 16 1 1 A 99 99 PHE N N 99 120.400 120.763 -0.363 1
1 1134 . 16 1 1 A 100 100 ASP H H 100 7.320 7.787 -0.467 1
1 1135 . 16 1 1 A 100 100 ASP HA H 100 5.240 4.890 0.350 1
1 1138 . 16 1 1 A 100 100 ASP CA C 100 49.900 52.913 -3.013 1
1 1139 . 16 1 1 A 100 100 ASP CB C 100 42.200 40.347 1.853 1
1 1140 . 16 1 1 A 100 100 ASP N N 100 118.200 120.671 -2.471 1
1 1141 . 16 1 1 A 101 101 PRO HA H 101 5.040 4.491 0.549 1
1 1148 . 16 1 1 A 101 101 PRO CA C 101 64.200 65.240 -1.040 1
1 1149 . 16 1 1 A 101 101 PRO CB C 101 32.800 31.737 1.063 1
1 1152 . 16 1 1 A 102 102 SER H H 102 8.950 7.920 1.030 1
1 1153 . 16 1 1 A 102 102 SER HA H 102 4.530 4.769 -0.239 1
1 1156 . 16 1 1 A 102 102 SER CA C 102 59.300 56.910 2.390 1
1 1157 . 16 1 1 A 102 102 SER CB C 102 64.500 63.893 0.607 1
1 1158 . 16 1 1 A 102 102 SER N N 102 117.700 112.125 5.575 1
1 1159 . 16 1 1 A 103 103 LEU H H 103 6.850 7.866 -1.016 1
1 1160 . 16 1 1 A 103 103 LEU HA H 103 4.200 4.168 0.032 1
1 1170 . 16 1 1 A 103 103 LEU CA C 103 53.700 54.096 -0.396 1
1 1171 . 16 1 1 A 103 103 LEU CB C 103 41.800 42.058 -0.258 1
1 1175 . 16 1 1 A 103 103 LEU N N 103 121.100 124.058 -2.958 1
1 1176 . 16 1 1 A 104 104 SER H H 104 8.080 8.418 -0.338 1
1 1177 . 16 1 1 A 104 104 SER HA H 104 4.310 4.421 -0.111 1
1 1180 . 16 1 1 A 104 104 SER CA C 104 60.300 58.180 2.120 1
1 1181 . 16 1 1 A 104 104 SER CB C 104 63.300 63.160 0.140 1
1 1182 . 16 1 1 A 104 104 SER N N 104 116.100 118.678 -2.578 1
1 1183 . 16 1 1 A 105 105 TYR H H 105 8.790 8.550 0.240 1
1 1184 . 16 1 1 A 105 105 TYR HA H 105 4.750 5.334 -0.584 1
1 1191 . 16 1 1 A 105 105 TYR CA C 105 57.100 57.094 0.006 1
1 1192 . 16 1 1 A 105 105 TYR CB C 105 37.700 40.141 -2.441 1
1 1195 . 16 1 1 A 105 105 TYR N N 105 122.700 127.341 -4.641 1
1 1196 . 16 1 1 A 106 106 LEU H H 106 8.750 9.330 -0.580 1
1 1197 . 16 1 1 A 106 106 LEU HA H 106 5.290 5.090 0.200 1
1 1207 . 16 1 1 A 106 106 LEU CA C 106 56.000 53.690 2.310 1
1 1208 . 16 1 1 A 106 106 LEU CB C 106 43.400 43.416 -0.016 1
1 1212 . 16 1 1 A 106 106 LEU N N 106 125.200 124.455 0.745 1
1 1213 . 16 1 1 A 107 107 ILE H H 107 9.480 9.365 0.115 1
1 1214 . 16 1 1 A 107 107 ILE HA H 107 4.630 5.104 -0.474 1
1 1224 . 16 1 1 A 107 107 ILE CA C 107 59.700 60.142 -0.442 1
1 1225 . 16 1 1 A 107 107 ILE CB C 107 40.500 40.558 -0.058 1
1 1229 . 16 1 1 A 107 107 ILE N N 107 123.800 122.922 0.878 1
1 1230 . 16 1 1 A 108 108 ILE H H 108 7.820 9.231 -1.411 1
1 1231 . 16 1 1 A 108 108 ILE HA H 108 4.950 4.966 -0.016 1
1 1241 . 16 1 1 A 108 108 ILE CA C 108 58.600 59.970 -1.370 1
1 1242 . 16 1 1 A 108 108 ILE CB C 108 41.700 39.778 1.922 1
1 1246 . 16 1 1 A 108 108 ILE N N 108 125.200 129.717 -4.517 1
1 1247 . 16 1 1 A 109 109 SER H H 109 9.780 9.266 0.514 1
1 1248 . 16 1 1 A 109 109 SER HA H 109 5.430 4.828 0.602 1
1 1251 . 16 1 1 A 109 109 SER CA C 109 56.400 56.367 0.033 1
1 1252 . 16 1 1 A 109 109 SER CB C 109 64.900 64.163 0.737 1
1 1253 . 16 1 1 A 109 109 SER N N 109 120.300 121.564 -1.264 1
1 1254 . 16 1 1 A 110 110 LEU H H 110 8.110 8.564 -0.454 1
1 1255 . 16 1 1 A 110 110 LEU HA H 110 4.630 4.610 0.020 1
1 1265 . 16 1 1 A 110 110 LEU CA C 110 53.300 54.393 -1.093 1
1 1266 . 16 1 1 A 110 110 LEU CB C 110 41.100 41.299 -0.199 1
1 1270 . 16 1 1 A 110 110 LEU N N 110 130.700 128.772 1.928 1
1 1271 . 16 1 1 A 111 111 ALA H H 111 7.390 7.742 -0.352 1
1 1272 . 16 1 1 A 111 111 ALA HA H 111 3.920 4.081 -0.161 1
1 1276 . 16 1 1 A 111 111 ALA CA C 111 55.200 54.778 0.422 1
1 1277 . 16 1 1 A 111 111 ALA CB C 111 17.900 18.982 -1.082 1
1 1278 . 16 1 1 A 111 111 ALA N N 111 121.000 123.204 -2.204 1
1 1279 . 16 1 1 A 112 112 GLU H H 112 8.290 7.914 0.376 1
1 1280 . 16 1 1 A 112 112 GLU HA H 112 4.830 4.648 0.182 1
1 1285 . 16 1 1 A 112 112 GLU CA C 112 52.600 53.046 -0.446 1
1 1286 . 16 1 1 A 112 112 GLU CB C 112 29.300 30.349 -1.049 1
1 1288 . 16 1 1 A 112 112 GLU N N 112 116.400 117.395 -0.995 1
1 1289 . 16 1 1 A 113 113 PRO HA H 113 3.940 4.388 -0.448 1
1 1296 . 16 1 1 A 113 113 PRO CA C 113 65.600 64.383 1.217 1
1 1297 . 16 1 1 A 113 113 PRO CB C 113 31.900 31.989 -0.089 1
1 1300 . 16 1 1 A 114 114 GLN H H 114 8.610 8.738 -0.128 1
1 1301 . 16 1 1 A 114 114 GLN HA H 114 4.250 4.111 0.139 1
1 1308 . 16 1 1 A 114 114 GLN CA C 114 56.100 58.181 -2.081 1
1 1309 . 16 1 1 A 114 114 GLN CB C 114 28.300 29.469 -1.169 1
1 1311 . 16 1 1 A 114 114 GLN N N 114 113.500 117.379 -3.879 1
1 1313 . 16 1 1 A 115 115 LYS H H 115 8.040 7.878 0.162 1
1 1314 . 16 1 1 A 115 115 LYS HA H 115 4.620 4.739 -0.119 1
1 1323 . 16 1 1 A 115 115 LYS CA C 115 53.500 53.685 -0.185 1
1 1324 . 16 1 1 A 115 115 LYS CB C 115 33.400 33.279 0.121 1
1 1328 . 16 1 1 A 115 115 LYS N N 115 121.000 119.654 1.346 1
1 1329 . 16 1 1 A 116 116 PRO HA H 116 4.560 4.590 -0.030 1
1 1336 . 16 1 1 A 116 116 PRO CA C 116 62.900 63.144 -0.244 1
1 1337 . 16 1 1 A 116 116 PRO CB C 116 32.500 32.058 0.442 1
1 1340 . 16 1 1 A 117 117 VAL H H 117 7.850 8.236 -0.386 1
1 1341 . 16 1 1 A 117 117 VAL HA H 117 4.360 4.271 0.089 1
1 1349 . 16 1 1 A 117 117 VAL CA C 117 61.200 61.859 -0.659 1
1 1350 . 16 1 1 A 117 117 VAL CB C 117 35.900 32.226 3.674 1
1 1353 . 16 1 1 A 117 117 VAL N N 117 120.600 123.548 -2.948 1
1 1354 . 16 1 1 A 118 118 CYS H H 118 8.820 8.970 -0.150 1
1 1355 . 16 1 1 A 118 118 CYS HA H 118 5.340 5.525 -0.185 1
1 1358 . 16 1 1 A 118 118 CYS CA C 118 56.400 56.986 -0.586 1
1 1359 . 16 1 1 A 118 118 CYS CB C 118 28.700 30.060 -1.360 1
1 1360 . 16 1 1 A 118 118 CYS N N 118 127.100 126.369 0.731 1
1 1361 . 16 1 1 A 119 119 LYS H H 119 8.530 8.831 -0.301 1
1 1362 . 16 1 1 A 119 119 LYS HA H 119 4.590 4.957 -0.367 1
1 1371 . 16 1 1 A 119 119 LYS CA C 119 54.900 54.693 0.207 1
1 1372 . 16 1 1 A 119 119 LYS CB C 119 39.600 36.661 2.939 1
1 1376 . 16 1 1 A 119 119 LYS N N 119 126.400 123.825 2.575 1
1 1377 . 16 1 1 A 120 120 SER H H 120 8.220 8.495 -0.275 1
1 1378 . 16 1 1 A 120 120 SER HA H 120 4.870 5.309 -0.439 1
1 1381 . 16 1 1 A 120 120 SER CA C 120 56.300 56.204 0.096 1
1 1382 . 16 1 1 A 120 120 SER CB C 120 63.300 65.052 -1.752 1
1 1383 . 16 1 1 A 120 120 SER N N 120 114.500 116.586 -2.086 1
1 1384 . 16 1 1 A 121 121 PHE H H 121 8.450 9.561 -1.111 1
1 1385 . 16 1 1 A 121 121 PHE HA H 121 5.160 5.205 -0.045 1
1 1393 . 16 1 1 A 121 121 PHE CA C 121 57.200 56.033 1.167 1
1 1394 . 16 1 1 A 121 121 PHE CB C 121 42.700 42.452 0.248 1
1 1398 . 16 1 1 A 121 121 PHE N N 121 124.400 124.306 0.094 1
1 1399 . 16 1 1 A 122 122 LEU H H 122 9.070 9.918 -0.848 1
1 1400 . 16 1 1 A 122 122 LEU HA H 122 5.270 4.969 0.301 1
1 1410 . 16 1 1 A 122 122 LEU CA C 122 53.300 53.697 -0.397 1
1 1411 . 16 1 1 A 122 122 LEU CB C 122 42.200 42.765 -0.565 1
1 1415 . 16 1 1 A 122 122 LEU N N 122 120.900 123.217 -2.317 1
1 1416 . 16 1 1 A 123 123 ILE H H 123 9.730 9.164 0.566 1
1 1417 . 16 1 1 A 123 123 ILE HA H 123 4.290 4.504 -0.214 1
1 1427 . 16 1 1 A 123 123 ILE CA C 123 61.400 60.947 0.453 1
1 1428 . 16 1 1 A 123 123 ILE CB C 123 38.000 37.676 0.324 1
1 1432 . 16 1 1 A 123 123 ILE N N 123 125.900 125.812 0.088 1
1 1433 . 16 1 1 A 124 124 LYS H H 124 8.080 9.059 -0.979 1
1 1434 . 16 1 1 A 124 124 LYS HA H 124 4.720 4.702 0.018 1
1 1443 . 16 1 1 A 124 124 LYS CA C 124 54.100 54.477 -0.377 1
1 1444 . 16 1 1 A 124 124 LYS CB C 124 34.700 34.789 -0.089 1
1 1448 . 16 1 1 A 124 124 LYS N N 124 124.600 127.873 -3.273 1
1 1449 . 16 1 1 A 125 125 LYS H H 125 8.830 8.924 -0.094 1
1 1450 . 16 1 1 A 125 125 LYS HA H 125 4.000 3.967 0.033 1
1 1459 . 16 1 1 A 125 125 LYS CA C 125 59.000 59.389 -0.389 1
1 1460 . 16 1 1 A 125 125 LYS CB C 125 31.700 32.453 -0.753 1
1 1464 . 16 1 1 A 125 125 LYS N N 125 120.900 123.710 -2.810 1
1 1465 . 16 1 1 A 126 126 ASP H H 126 8.160 8.061 0.099 1
1 1466 . 16 1 1 A 126 126 ASP HA H 126 4.650 4.359 0.291 1
1 1469 . 16 1 1 A 126 126 ASP CA C 126 53.100 56.844 -3.744 1
1 1470 . 16 1 1 A 126 126 ASP CB C 126 40.300 41.433 -1.133 1
1 1471 . 16 1 1 A 126 126 ASP N N 126 113.200 118.594 -5.394 1
1 1472 . 16 1 1 A 127 127 GLY H H 127 7.370 7.408 -0.038 1
1 1473 . 16 1 1 A 127 127 GLY HA2 H 127 4.300 4.089 0.211 1
1 1474 . 16 1 1 A 127 127 GLY HA3 H 127 3.900 4.098 -0.198 1
1 1475 . 16 1 1 A 127 127 GLY CA C 127 45.200 46.147 -0.947 1
1 1476 . 16 1 1 A 127 127 GLY N N 127 107.600 103.375 4.225 1
1 1477 . 16 1 1 A 128 128 VAL H H 128 8.130 8.410 -0.280 1
1 1478 . 16 1 1 A 128 128 VAL HA H 128 4.900 5.145 -0.245 1
1 1486 . 16 1 1 A 128 128 VAL CA C 128 60.900 58.942 1.958 1
1 1487 . 16 1 1 A 128 128 VAL CB C 128 34.000 35.479 -1.479 1
1 1490 . 16 1 1 A 128 128 VAL N N 128 118.900 120.833 -1.933 1
1 1491 . 16 1 1 A 129 129 ASP H H 129 9.250 9.351 -0.101 1
1 1492 . 16 1 1 A 129 129 ASP HA H 129 5.220 5.400 -0.180 1
1 1495 . 16 1 1 A 129 129 ASP CA C 129 52.300 52.862 -0.562 1
1 1496 . 16 1 1 A 129 129 ASP CB C 129 43.600 44.265 -0.665 1
1 1497 . 16 1 1 A 129 129 ASP N N 129 126.500 128.852 -2.352 1
1 1498 . 16 1 1 A 130 130 GLU H H 130 8.900 8.619 0.281 1
1 1499 . 16 1 1 A 130 130 GLU HA H 130 4.420 4.794 -0.374 1
1 1504 . 16 1 1 A 130 130 GLU CA C 130 56.400 55.582 0.818 1
1 1505 . 16 1 1 A 130 130 GLU CB C 130 29.800 30.535 -0.735 1
1 1507 . 16 1 1 A 130 130 GLU N N 130 124.000 122.436 1.564 1
1 1508 . 16 1 1 A 131 131 GLU H H 131 8.860 8.727 0.133 1
1 1509 . 16 1 1 A 131 131 GLU HA H 131 4.430 4.783 -0.353 1
1 1514 . 16 1 1 A 131 131 GLU CA C 131 53.500 54.991 -1.491 1
1 1515 . 16 1 1 A 131 131 GLU CB C 131 32.500 31.588 0.912 1
1 1517 . 16 1 1 A 131 131 GLU N N 131 129.200 125.294 3.906 1
1 1518 . 16 1 1 A 132 132 GLU H H 132 8.610 8.751 -0.141 1
1 1519 . 16 1 1 A 132 132 GLU HA H 132 4.050 4.609 -0.559 1
1 1524 . 16 1 1 A 132 132 GLU CA C 132 57.100 56.310 0.790 1
1 1525 . 16 1 1 A 132 132 GLU CB C 132 30.100 30.762 -0.662 1
1 1527 . 16 1 1 A 132 132 GLU N N 132 126.400 126.898 -0.498 1
1 1528 . 16 1 1 A 133 133 ILE H H 133 8.200 8.869 -0.669 1
1 1529 . 16 1 1 A 133 133 ILE HA H 133 4.740 4.945 -0.205 1
1 1539 . 16 1 1 A 133 133 ILE CA C 133 60.000 59.627 0.373 1
1 1540 . 16 1 1 A 133 133 ILE CB C 133 39.300 39.224 0.076 1
1 1544 . 16 1 1 A 133 133 ILE N N 133 124.500 124.497 0.003 1
1 1545 . 16 1 1 A 134 134 ILE H H 134 9.000 9.353 -0.353 1
1 1546 . 16 1 1 A 134 134 ILE HA H 134 4.190 4.858 -0.668 1
1 1556 . 16 1 1 A 134 134 ILE CA C 134 59.000 59.593 -0.593 1
1 1557 . 16 1 1 A 134 134 ILE CB C 134 38.300 39.386 -1.086 1
1 1561 . 16 1 1 A 134 134 ILE N N 134 130.900 127.887 3.013 1
1 1562 . 16 1 1 A 135 135 LEU H H 135 8.360 8.994 -0.634 1
1 1563 . 16 1 1 A 135 135 LEU HA H 135 5.190 5.376 -0.186 1
1 1573 . 16 1 1 A 135 135 LEU CA C 135 52.700 53.147 -0.447 1
1 1574 . 16 1 1 A 135 135 LEU CB C 135 42.800 43.857 -1.057 1
1 1578 . 16 1 1 A 135 135 LEU N N 135 127.100 127.447 -0.347 1
1 1579 . 16 1 1 A 136 136 LYS H H 136 8.790 8.192 0.598 1
1 1580 . 16 1 1 A 136 136 LYS HA H 136 4.330 4.834 -0.504 1
1 1589 . 16 1 1 A 136 136 LYS CA C 136 55.600 54.398 1.202 1
1 1590 . 16 1 1 A 136 136 LYS CB C 136 34.600 36.880 -2.280 1
1 1594 . 16 1 1 A 136 136 LYS N N 136 125.100 123.176 1.924 1
1 1595 . 16 1 1 A 137 137 GLU H H 137 8.850 8.907 -0.057 1
1 1596 . 16 1 1 A 137 137 GLU HA H 137 4.240 4.361 -0.121 1
1 1601 . 16 1 1 A 137 137 GLU CA C 137 57.600 57.513 0.087 1
1 1602 . 16 1 1 A 137 137 GLU CB C 137 29.900 30.856 -0.956 1
1 1604 . 16 1 1 A 137 137 GLU N N 137 121.100 120.204 0.896 1
1 1605 . 16 1 1 A 138 138 GLU H H 138 8.150 7.657 0.493 1
1 1606 . 16 1 1 A 138 138 GLU HA H 138 4.370 4.707 -0.337 1
1 1611 . 16 1 1 A 138 138 GLU CA C 138 55.800 55.414 0.386 1
1 1612 . 16 1 1 A 138 138 GLU CB C 138 30.700 31.184 -0.484 1
1 1614 . 16 1 1 A 138 138 GLU N N 138 119.300 118.636 0.664 1
1 1615 . 16 1 1 A 139 139 LEU H H 139 8.240 8.417 -0.177 1
1 1616 . 16 1 1 A 139 139 LEU HA H 139 4.180 4.602 -0.422 1
1 1626 . 16 1 1 A 139 139 LEU CA C 139 55.400 53.605 1.795 1
1 1627 . 16 1 1 A 139 139 LEU CB C 139 42.300 43.744 -1.444 1
1 1631 . 16 1 1 A 139 139 LEU N N 139 122.800 124.629 -1.829 1
1 1632 . 16 1 1 A 140 140 GLU H H 140 8.250 8.947 -0.697 1
1 1633 . 16 1 1 A 140 140 GLU HA H 140 4.150 4.245 -0.095 1
1 1638 . 16 1 1 A 140 140 GLU CA C 140 56.400 56.725 -0.325 1
1 1639 . 16 1 1 A 140 140 GLU CB C 140 29.900 28.791 1.109 1
1 1641 . 16 1 1 A 140 140 GLU N N 140 120.700 121.377 -0.677 1
1 1642 . 16 1 1 A 141 141 HIS H H 141 8.400 8.909 -0.509 1
1 13 . 17 1 1 A 2 2 ILE H H 2 8.780 8.782 -0.002 1
1 14 . 17 1 1 A 2 2 ILE HA H 2 5.060 5.134 -0.074 1
1 24 . 17 1 1 A 2 2 ILE CA C 2 58.500 59.465 -0.965 1
1 25 . 17 1 1 A 2 2 ILE CB C 2 41.300 40.640 0.660 1
1 29 . 17 1 1 A 2 2 ILE N N 2 124.600 126.642 -2.042 1
1 30 . 17 1 1 A 3 3 THR H H 3 8.280 9.075 -0.795 1
1 31 . 17 1 1 A 3 3 THR HA H 3 5.350 5.155 0.195 1
1 36 . 17 1 1 A 3 3 THR CA C 3 60.900 61.847 -0.947 1
1 37 . 17 1 1 A 3 3 THR CB C 3 69.900 70.336 -0.436 1
1 39 . 17 1 1 A 3 3 THR N N 3 123.200 124.411 -1.211 1
1 40 . 17 1 1 A 4 4 LEU H H 4 8.710 8.887 -0.177 1
1 41 . 17 1 1 A 4 4 LEU HA H 4 5.040 5.050 -0.010 1
1 51 . 17 1 1 A 4 4 LEU CA C 4 53.800 53.526 0.274 1
1 52 . 17 1 1 A 4 4 LEU CB C 4 45.800 45.796 0.004 1
1 56 . 17 1 1 A 4 4 LEU N N 4 127.600 122.648 4.952 1
1 57 . 17 1 1 A 5 5 THR H H 5 8.440 8.307 0.133 1
1 58 . 17 1 1 A 5 5 THR HA H 5 5.040 5.163 -0.123 1
1 63 . 17 1 1 A 5 5 THR CA C 5 59.300 60.266 -0.966 1
1 64 . 17 1 1 A 5 5 THR CB C 5 71.000 71.781 -0.781 1
1 66 . 17 1 1 A 5 5 THR N N 5 109.500 111.650 -2.150 1
1 67 . 17 1 1 A 6 6 LYS H H 6 8.730 8.768 -0.038 1
1 68 . 17 1 1 A 6 6 LYS HA H 6 3.810 3.975 -0.165 1
1 77 . 17 1 1 A 6 6 LYS CA C 6 60.000 60.298 -0.298 1
1 78 . 17 1 1 A 6 6 LYS CB C 6 32.000 32.012 -0.012 1
1 82 . 17 1 1 A 6 6 LYS N N 6 121.500 121.773 -0.273 1
1 83 . 17 1 1 A 7 7 LYS H H 7 8.290 7.871 0.419 1
1 84 . 17 1 1 A 7 7 LYS HA H 7 3.990 3.980 0.010 1
1 93 . 17 1 1 A 7 7 LYS CA C 7 59.200 59.795 -0.595 1
1 94 . 17 1 1 A 7 7 LYS CB C 7 32.400 32.087 0.313 1
1 98 . 17 1 1 A 7 7 LYS N N 7 118.800 120.458 -1.658 1
1 99 . 17 1 1 A 8 8 GLN H H 8 7.650 7.809 -0.159 1
1 100 . 17 1 1 A 8 8 GLN HA H 8 3.890 3.931 -0.041 1
1 107 . 17 1 1 A 8 8 GLN CA C 8 58.100 59.225 -1.125 1
1 108 . 17 1 1 A 8 8 GLN CB C 8 27.400 29.468 -2.068 1
1 110 . 17 1 1 A 8 8 GLN N N 8 119.800 118.555 1.245 1
1 112 . 17 1 1 A 9 9 MET H H 9 8.130 7.934 0.196 1
1 113 . 17 1 1 A 9 9 MET HA H 9 4.130 3.974 0.156 1
1 121 . 17 1 1 A 9 9 MET CA C 9 57.500 58.289 -0.789 1
1 122 . 17 1 1 A 9 9 MET CB C 9 30.900 31.860 -0.960 1
1 125 . 17 1 1 A 9 9 MET N N 9 118.300 119.672 -1.372 1
1 126 . 17 1 1 A 10 10 GLU H H 10 8.460 8.316 0.144 1
1 127 . 17 1 1 A 10 10 GLU HA H 10 3.890 3.944 -0.054 1
1 132 . 17 1 1 A 10 10 GLU CA C 10 59.100 59.450 -0.350 1
1 133 . 17 1 1 A 10 10 GLU CB C 10 28.500 29.112 -0.612 1
1 135 . 17 1 1 A 10 10 GLU N N 10 118.500 118.346 0.154 1
1 136 . 17 1 1 A 11 11 GLU H H 11 8.200 8.537 -0.337 1
1 137 . 17 1 1 A 11 11 GLU HA H 11 4.070 4.007 0.063 1
1 142 . 17 1 1 A 11 11 GLU CA C 11 59.200 59.111 0.089 1
1 143 . 17 1 1 A 11 11 GLU CB C 11 28.900 29.482 -0.582 1
1 145 . 17 1 1 A 11 11 GLU N N 11 120.800 120.436 0.364 1
1 146 . 17 1 1 A 12 12 MET H H 12 7.780 8.276 -0.496 1
1 147 . 17 1 1 A 12 12 MET HA H 12 3.390 3.826 -0.436 1
1 155 . 17 1 1 A 12 12 MET CA C 12 60.600 58.224 2.376 1
1 156 . 17 1 1 A 12 12 MET CB C 12 33.900 33.028 0.872 1
1 159 . 17 1 1 A 12 12 MET N N 12 119.300 118.923 0.377 1
1 160 . 17 1 1 A 13 13 LEU H H 13 8.340 8.733 -0.393 1
1 161 . 17 1 1 A 13 13 LEU HA H 13 3.770 3.958 -0.188 1
1 171 . 17 1 1 A 13 13 LEU CA C 13 58.000 57.930 0.070 1
1 172 . 17 1 1 A 13 13 LEU CB C 13 41.400 41.491 -0.091 1
1 176 . 17 1 1 A 13 13 LEU N N 13 118.600 119.685 -1.085 1
1 177 . 17 1 1 A 14 14 ALA H H 14 8.620 8.346 0.274 1
1 178 . 17 1 1 A 14 14 ALA HA H 14 4.100 4.083 0.017 1
1 182 . 17 1 1 A 14 14 ALA CA C 14 55.200 55.252 -0.052 1
1 183 . 17 1 1 A 14 14 ALA CB C 14 17.800 18.182 -0.382 1
1 184 . 17 1 1 A 14 14 ALA N N 14 121.500 121.284 0.216 1
1 185 . 17 1 1 A 15 15 HIS H H 15 7.780 7.715 0.065 1
1 186 . 17 1 1 A 15 15 HIS HA H 15 4.460 4.245 0.215 1
1 190 . 17 1 1 A 15 15 HIS CA C 15 59.000 59.631 -0.631 1
1 191 . 17 1 1 A 15 15 HIS CB C 15 29.300 29.485 -0.185 1
1 193 . 17 1 1 A 15 15 HIS N N 15 116.700 118.141 -1.441 1
1 194 . 17 1 1 A 16 16 ALA H H 16 8.390 8.483 -0.093 1
1 195 . 17 1 1 A 16 16 ALA HA H 16 4.100 3.899 0.201 1
1 199 . 17 1 1 A 16 16 ALA CA C 16 54.500 55.395 -0.895 1
1 200 . 17 1 1 A 16 16 ALA CB C 16 18.200 18.181 0.019 1
1 201 . 17 1 1 A 16 16 ALA N N 16 120.000 121.300 -1.300 1
1 202 . 17 1 1 A 17 17 ARG H H 17 8.820 8.363 0.457 1
1 203 . 17 1 1 A 17 17 ARG HA H 17 3.890 4.084 -0.194 1
1 210 . 17 1 1 A 17 17 ARG CA C 17 59.900 59.549 0.351 1
1 211 . 17 1 1 A 17 17 ARG CB C 17 30.100 29.872 0.228 1
1 214 . 17 1 1 A 17 17 ARG N N 17 118.900 117.454 1.446 1
1 215 . 17 1 1 A 18 18 GLN H H 18 8.130 7.897 0.233 1
1 216 . 17 1 1 A 18 18 GLN HA H 18 4.060 4.102 -0.042 1
1 223 . 17 1 1 A 18 18 GLN CA C 18 57.900 58.265 -0.365 1
1 224 . 17 1 1 A 18 18 GLN CB C 18 28.000 28.783 -0.783 1
1 226 . 17 1 1 A 18 18 GLN N N 18 118.100 119.273 -1.173 1
1 228 . 17 1 1 A 19 19 ALA H H 19 7.090 7.212 -0.122 1
1 229 . 17 1 1 A 19 19 ALA HA H 19 4.220 4.287 -0.067 1
1 233 . 17 1 1 A 19 19 ALA CA C 19 52.300 52.076 0.224 1
1 234 . 17 1 1 A 19 19 ALA CB C 19 20.600 19.583 1.017 1
1 235 . 17 1 1 A 19 19 ALA N N 19 117.600 120.048 -2.448 1
1 236 . 17 1 1 A 20 20 LEU H H 20 7.020 7.123 -0.103 1
1 237 . 17 1 1 A 20 20 LEU HA H 20 4.110 4.417 -0.307 1
1 247 . 17 1 1 A 20 20 LEU CA C 20 54.600 53.812 0.788 1
1 248 . 17 1 1 A 20 20 LEU CB C 20 40.400 41.236 -0.836 1
1 252 . 17 1 1 A 20 20 LEU N N 20 117.900 122.507 -4.607 1
1 253 . 17 1 1 A 21 21 PRO HA H 21 4.320 4.566 -0.246 1
1 260 . 17 1 1 A 21 21 PRO CA C 21 63.700 63.775 -0.075 1
1 261 . 17 1 1 A 21 21 PRO CB C 21 35.000 32.583 2.417 1
1 264 . 17 1 1 A 22 22 ASN H H 22 8.690 8.100 0.590 1
1 265 . 17 1 1 A 22 22 ASN HA H 22 4.570 5.089 -0.519 1
1 270 . 17 1 1 A 22 22 ASN CA C 22 52.400 52.099 0.301 1
1 271 . 17 1 1 A 22 22 ASN CB C 22 40.000 39.981 0.019 1
1 272 . 17 1 1 A 22 22 ASN N N 22 122.000 121.453 0.547 1
1 274 . 17 1 1 A 23 23 GLU H H 23 8.540 8.910 -0.370 1
1 275 . 17 1 1 A 23 23 GLU HA H 23 4.050 5.110 -1.060 1
1 280 . 17 1 1 A 23 23 GLU CA C 23 57.300 54.348 2.952 1
1 281 . 17 1 1 A 23 23 GLU CB C 23 29.000 33.498 -4.498 1
1 283 . 17 1 1 A 23 23 GLU N N 23 116.100 117.705 -1.605 1
1 284 . 17 1 1 A 24 24 ALA H H 24 8.390 8.927 -0.537 1
1 285 . 17 1 1 A 24 24 ALA HA H 24 5.040 5.458 -0.418 1
1 289 . 17 1 1 A 24 24 ALA CA C 24 48.900 50.096 -1.196 1
1 290 . 17 1 1 A 24 24 ALA CB C 24 23.200 22.396 0.804 1
1 291 . 17 1 1 A 24 24 ALA N N 24 124.800 122.272 2.528 1
1 292 . 17 1 1 A 25 25 CYS H H 25 8.910 8.986 -0.076 1
1 293 . 17 1 1 A 25 25 CYS HA H 25 5.000 5.508 -0.508 1
1 296 . 17 1 1 A 25 25 CYS CA C 25 55.000 57.931 -2.931 1
1 297 . 17 1 1 A 25 25 CYS CB C 25 32.600 30.884 1.716 1
1 298 . 17 1 1 A 25 25 CYS N N 25 111.700 119.337 -7.637 1
1 299 . 17 1 1 A 26 26 GLY H H 26 7.110 8.135 -1.025 1
1 300 . 17 1 1 A 26 26 GLY HA2 H 26 3.820 3.648 0.172 1
1 301 . 17 1 1 A 26 26 GLY HA3 H 26 4.070 3.987 0.083 1
1 302 . 17 1 1 A 26 26 GLY CA C 26 46.500 45.542 0.958 1
1 303 . 17 1 1 A 26 26 GLY N N 26 103.200 109.240 -6.040 1
1 304 . 17 1 1 A 27 27 LEU H H 27 8.830 9.074 -0.244 1
1 305 . 17 1 1 A 27 27 LEU HA H 27 5.200 5.308 -0.108 1
1 315 . 17 1 1 A 27 27 LEU CA C 27 53.200 53.358 -0.158 1
1 316 . 17 1 1 A 27 27 LEU CB C 27 46.600 45.565 1.035 1
1 320 . 17 1 1 A 27 27 LEU N N 27 116.700 120.818 -4.118 1
1 321 . 17 1 1 A 28 28 LEU H H 28 8.060 8.717 -0.657 1
1 322 . 17 1 1 A 28 28 LEU HA H 28 5.200 5.298 -0.098 1
1 332 . 17 1 1 A 28 28 LEU CA C 28 53.400 53.016 0.384 1
1 333 . 17 1 1 A 28 28 LEU CB C 28 44.900 44.814 0.086 1
1 337 . 17 1 1 A 28 28 LEU N N 28 118.200 121.728 -3.528 1
1 338 . 17 1 1 A 29 29 GLY H H 29 9.210 9.045 0.165 1
1 339 . 17 1 1 A 29 29 GLY HA2 H 29 3.750 4.371 -0.621 1
1 340 . 17 1 1 A 29 29 GLY HA3 H 29 5.800 4.430 1.370 1
1 341 . 17 1 1 A 29 29 GLY CA C 29 43.600 44.449 -0.849 1
1 342 . 17 1 1 A 29 29 GLY N N 29 109.500 112.101 -2.601 1
1 343 . 17 1 1 A 30 30 GLY H H 30 9.520 8.427 1.093 1
1 344 . 17 1 1 A 30 30 GLY HA2 H 30 3.210 3.494 -0.284 1
1 345 . 17 1 1 A 30 30 GLY HA3 H 30 4.800 4.096 0.704 1
1 346 . 17 1 1 A 30 30 GLY CA C 30 47.500 45.777 1.723 1
1 347 . 17 1 1 A 30 30 GLY N N 30 111.700 108.610 3.090 1
1 348 . 17 1 1 A 31 31 ARG H H 31 8.900 8.691 0.209 1
1 349 . 17 1 1 A 31 31 ARG HA H 31 5.170 5.137 0.033 1
1 356 . 17 1 1 A 31 31 ARG CA C 31 54.200 54.570 -0.370 1
1 357 . 17 1 1 A 31 31 ARG CB C 31 34.200 33.708 0.492 1
1 360 . 17 1 1 A 31 31 ARG N N 31 123.000 123.463 -0.463 1
1 361 . 17 1 1 A 32 32 ARG H H 32 9.070 9.334 -0.264 1
1 362 . 17 1 1 A 32 32 ARG HA H 32 5.140 5.366 -0.226 1
1 369 . 17 1 1 A 32 32 ARG CA C 32 54.700 54.755 -0.055 1
1 370 . 17 1 1 A 32 32 ARG CB C 32 33.700 33.383 0.317 1
1 373 . 17 1 1 A 32 32 ARG N N 32 121.500 121.455 0.045 1
1 374 . 17 1 1 A 33 33 ASP H H 33 8.640 9.290 -0.650 1
1 375 . 17 1 1 A 33 33 ASP HA H 33 4.850 4.967 -0.117 1
1 378 . 17 1 1 A 33 33 ASP CA C 33 53.400 53.849 -0.449 1
1 379 . 17 1 1 A 33 33 ASP CB C 33 42.100 41.958 0.142 1
1 380 . 17 1 1 A 33 33 ASP N N 33 124.200 122.184 2.016 1
1 381 . 17 1 1 A 34 34 GLY H H 34 9.020 8.114 0.906 1
1 382 . 17 1 1 A 34 34 GLY HA2 H 34 3.670 4.005 -0.335 1
1 383 . 17 1 1 A 34 34 GLY HA3 H 34 4.000 4.011 -0.011 1
1 384 . 17 1 1 A 34 34 GLY CA C 34 47.200 45.807 1.393 1
1 385 . 17 1 1 A 34 34 GLY N N 34 115.900 107.514 8.386 1
1 386 . 17 1 1 A 35 35 ASP H H 35 9.070 8.211 0.859 1
1 387 . 17 1 1 A 35 35 ASP HA H 35 4.650 4.452 0.198 1
1 390 . 17 1 1 A 35 35 ASP CA C 35 54.800 56.613 -1.813 1
1 391 . 17 1 1 A 35 35 ASP CB C 35 41.000 41.901 -0.901 1
1 392 . 17 1 1 A 35 35 ASP N N 35 127.300 122.099 5.201 1
1 393 . 17 1 1 A 36 36 ASP H H 36 8.070 7.768 0.302 1
1 394 . 17 1 1 A 36 36 ASP HA H 36 4.950 4.904 0.046 1
1 397 . 17 1 1 A 36 36 ASP CA C 36 53.700 52.624 1.076 1
1 398 . 17 1 1 A 36 36 ASP CB C 36 41.700 44.944 -3.244 1
1 399 . 17 1 1 A 36 36 ASP N N 36 120.600 116.429 4.171 1
1 400 . 17 1 1 A 37 37 ARG H H 37 8.070 8.356 -0.286 1
1 401 . 17 1 1 A 37 37 ARG HA H 37 4.850 5.225 -0.375 1
1 408 . 17 1 1 A 37 37 ARG CA C 37 55.400 54.473 0.927 1
1 409 . 17 1 1 A 37 37 ARG CB C 37 32.900 33.481 -0.581 1
1 412 . 17 1 1 A 37 37 ARG N N 37 120.800 119.089 1.711 1
1 413 . 17 1 1 A 38 38 TRP H H 38 9.380 10.061 -0.681 1
1 414 . 17 1 1 A 38 38 TRP HA H 38 4.840 5.463 -0.623 1
1 423 . 17 1 1 A 38 38 TRP CA C 38 57.000 55.485 1.515 1
1 424 . 17 1 1 A 38 38 TRP CB C 38 30.100 32.152 -2.052 1
1 430 . 17 1 1 A 38 38 TRP N N 38 124.900 123.330 1.570 1
1 432 . 17 1 1 A 39 39 VAL H H 39 8.450 9.379 -0.929 1
1 433 . 17 1 1 A 39 39 VAL HA H 39 3.390 4.157 -0.767 1
1 441 . 17 1 1 A 39 39 VAL CA C 39 64.500 62.422 2.078 1
1 442 . 17 1 1 A 39 39 VAL CB C 39 31.500 30.964 0.536 1
1 445 . 17 1 1 A 39 39 VAL N N 39 124.400 124.295 0.105 1
1 446 . 17 1 1 A 40 40 GLU H H 40 9.080 8.289 0.791 1
1 447 . 17 1 1 A 40 40 GLU HA H 40 4.350 4.493 -0.143 1
1 452 . 17 1 1 A 40 40 GLU CA C 40 54.900 56.750 -1.850 1
1 453 . 17 1 1 A 40 40 GLU CB C 40 29.500 30.883 -1.383 1
1 455 . 17 1 1 A 40 40 GLU N N 40 124.200 126.954 -2.754 1
1 456 . 17 1 1 A 41 41 ARG H H 41 7.610 7.132 0.478 1
1 457 . 17 1 1 A 41 41 ARG HA H 41 4.070 4.668 -0.598 1
1 464 . 17 1 1 A 41 41 ARG CA C 41 56.800 55.180 1.620 1
1 465 . 17 1 1 A 41 41 ARG CB C 41 33.600 32.977 0.623 1
1 468 . 17 1 1 A 41 41 ARG N N 41 120.000 119.848 0.152 1
1 469 . 17 1 1 A 42 42 VAL H H 42 8.460 8.720 -0.260 1
1 470 . 17 1 1 A 42 42 VAL HA H 42 4.300 4.525 -0.225 1
1 478 . 17 1 1 A 42 42 VAL CA C 42 60.900 61.180 -0.280 1
1 479 . 17 1 1 A 42 42 VAL CB C 42 32.900 32.833 0.067 1
1 482 . 17 1 1 A 42 42 VAL N N 42 125.600 127.335 -1.735 1
1 483 . 17 1 1 A 43 43 TYR H H 43 9.070 9.063 0.007 1
1 484 . 17 1 1 A 43 43 TYR HA H 43 4.930 5.242 -0.312 1
1 491 . 17 1 1 A 43 43 TYR CA C 43 54.600 54.992 -0.392 1
1 492 . 17 1 1 A 43 43 TYR CB C 43 38.500 38.932 -0.432 1
1 495 . 17 1 1 A 43 43 TYR N N 43 124.800 126.496 -1.696 1
1 496 . 17 1 1 A 44 44 PRO HA H 44 4.260 4.751 -0.491 1
1 503 . 17 1 1 A 44 44 PRO CA C 44 63.200 62.372 0.828 1
1 504 . 17 1 1 A 44 44 PRO CB C 44 30.100 30.905 -0.805 1
1 507 . 17 1 1 A 45 45 LEU H H 45 8.270 8.418 -0.148 1
1 508 . 17 1 1 A 45 45 LEU HA H 45 4.930 4.707 0.223 1
1 518 . 17 1 1 A 45 45 LEU CA C 45 53.800 53.748 0.052 1
1 519 . 17 1 1 A 45 45 LEU CB C 45 45.600 42.618 2.982 1
1 523 . 17 1 1 A 45 45 LEU N N 45 125.800 124.042 1.758 1
1 524 . 17 1 1 A 46 46 ASN H H 46 9.120 8.750 0.370 1
1 525 . 17 1 1 A 46 46 ASN HA H 46 4.630 5.060 -0.430 1
1 530 . 17 1 1 A 46 46 ASN CA C 46 56.000 53.336 2.664 1
1 531 . 17 1 1 A 46 46 ASN CB C 46 39.000 40.016 -1.016 1
1 532 . 17 1 1 A 46 46 ASN N N 46 119.000 119.150 -0.150 1
1 534 . 17 1 1 A 47 47 ASN H H 47 8.460 8.595 -0.135 1
1 535 . 17 1 1 A 47 47 ASN HA H 47 5.260 4.724 0.536 1
1 540 . 17 1 1 A 47 47 ASN CA C 47 51.200 52.559 -1.359 1
1 541 . 17 1 1 A 47 47 ASN CB C 47 37.700 38.211 -0.511 1
1 542 . 17 1 1 A 47 47 ASN N N 47 118.500 122.165 -3.665 1
1 544 . 17 1 1 A 48 48 LEU H H 48 8.890 8.308 0.582 1
1 545 . 17 1 1 A 48 48 LEU HA H 48 4.070 4.006 0.064 1
1 555 . 17 1 1 A 48 48 LEU CA C 48 56.800 57.829 -1.029 1
1 556 . 17 1 1 A 48 48 LEU CB C 48 41.600 41.527 0.073 1
1 560 . 17 1 1 A 48 48 LEU N N 48 127.100 126.226 0.874 1
1 561 . 17 1 1 A 49 49 ASP H H 49 7.820 7.263 0.557 1
1 562 . 17 1 1 A 49 49 ASP HA H 49 4.430 4.439 -0.009 1
1 565 . 17 1 1 A 49 49 ASP CA C 49 54.500 57.355 -2.855 1
1 566 . 17 1 1 A 49 49 ASP CB C 49 40.100 41.289 -1.189 1
1 567 . 17 1 1 A 49 49 ASP N N 49 115.700 120.425 -4.725 1
1 568 . 17 1 1 A 50 50 GLN H H 50 7.770 8.644 -0.874 1
1 569 . 17 1 1 A 50 50 GLN HA H 50 3.880 3.926 -0.046 1
1 576 . 17 1 1 A 50 50 GLN CA C 50 56.000 57.149 -1.149 1
1 577 . 17 1 1 A 50 50 GLN CB C 50 27.400 27.801 -0.401 1
1 579 . 17 1 1 A 50 50 GLN N N 50 115.300 118.964 -3.664 1
1 581 . 17 1 1 A 51 51 SER H H 51 6.370 7.927 -1.557 1
1 582 . 17 1 1 A 51 51 SER HA H 51 5.210 4.948 0.262 1
1 585 . 17 1 1 A 51 51 SER CA C 51 53.700 55.449 -1.749 1
1 586 . 17 1 1 A 51 51 SER CB C 51 66.100 65.011 1.089 1
1 587 . 17 1 1 A 51 51 SER N N 51 109.000 114.660 -5.660 1
1 588 . 17 1 1 A 52 52 PRO HA H 52 4.830 4.704 0.126 1
1 595 . 17 1 1 A 52 52 PRO CA C 52 64.000 64.269 -0.269 1
1 596 . 17 1 1 A 52 52 PRO CB C 52 33.300 31.928 1.372 1
1 599 . 17 1 1 A 53 53 GLU H H 53 8.320 8.593 -0.273 1
1 600 . 17 1 1 A 53 53 GLU HA H 53 4.510 4.592 -0.082 1
1 605 . 17 1 1 A 53 53 GLU CA C 53 55.700 56.749 -1.049 1
1 606 . 17 1 1 A 53 53 GLU CB C 53 32.400 30.464 1.936 1
1 608 . 17 1 1 A 53 53 GLU N N 53 113.900 116.865 -2.965 1
1 609 . 17 1 1 A 54 54 HIS H H 54 7.070 7.457 -0.387 1
1 610 . 17 1 1 A 54 54 HIS HA H 54 4.750 5.314 -0.564 1
1 614 . 17 1 1 A 54 54 HIS CA C 54 54.100 54.212 -0.112 1
1 615 . 17 1 1 A 54 54 HIS CB C 54 31.100 34.299 -3.199 1
1 617 . 17 1 1 A 54 54 HIS N N 54 112.500 118.074 -5.574 1
1 618 . 17 1 1 A 55 55 PHE H H 55 7.900 8.810 -0.910 1
1 619 . 17 1 1 A 55 55 PHE HA H 55 5.580 4.791 0.789 1
1 627 . 17 1 1 A 55 55 PHE CA C 55 55.400 57.931 -2.531 1
1 628 . 17 1 1 A 55 55 PHE CB C 55 41.200 41.574 -0.374 1
1 632 . 17 1 1 A 55 55 PHE N N 55 114.900 122.907 -8.007 1
1 633 . 17 1 1 A 56 56 SER H H 56 7.690 8.504 -0.814 1
1 634 . 17 1 1 A 56 56 SER HA H 56 4.300 4.873 -0.573 1
1 637 . 17 1 1 A 56 56 SER CA C 56 57.800 57.434 0.366 1
1 638 . 17 1 1 A 56 56 SER CB C 56 65.300 66.337 -1.037 1
1 639 . 17 1 1 A 56 56 SER N N 56 112.900 122.549 -9.649 1
1 640 . 17 1 1 A 57 57 MET H H 57 8.750 9.035 -0.285 1
1 641 . 17 1 1 A 57 57 MET HA H 57 4.860 5.109 -0.249 1
1 649 . 17 1 1 A 57 57 MET CA C 57 54.400 53.457 0.943 1
1 650 . 17 1 1 A 57 57 MET CB C 57 36.000 35.836 0.164 1
1 653 . 17 1 1 A 57 57 MET N N 57 120.000 122.929 -2.929 1
1 654 . 17 1 1 A 58 58 ASP H H 58 10.180 8.588 1.592 1
1 655 . 17 1 1 A 58 58 ASP HA H 58 4.740 4.805 -0.065 1
1 658 . 17 1 1 A 58 58 ASP CA C 58 51.700 51.990 -0.290 1
1 659 . 17 1 1 A 58 58 ASP CB C 58 42.700 42.174 0.526 1
1 660 . 17 1 1 A 58 58 ASP N N 58 126.600 121.784 4.816 1
1 661 . 17 1 1 A 59 59 PRO HA H 59 4.400 4.276 0.124 1
1 668 . 17 1 1 A 59 59 PRO CA C 59 65.300 65.298 0.002 1
1 669 . 17 1 1 A 59 59 PRO CB C 59 32.300 31.929 0.371 1
1 672 . 17 1 1 A 60 60 ARG H H 60 8.520 8.793 -0.273 1
1 673 . 17 1 1 A 60 60 ARG HA H 60 4.120 4.015 0.105 1
1 680 . 17 1 1 A 60 60 ARG CA C 60 59.200 59.210 -0.010 1
1 681 . 17 1 1 A 60 60 ARG CB C 60 29.500 29.773 -0.273 1
1 684 . 17 1 1 A 60 60 ARG N N 60 118.700 118.803 -0.103 1
1 685 . 17 1 1 A 61 61 GLU H H 61 7.730 8.243 -0.513 1
1 686 . 17 1 1 A 61 61 GLU HA H 61 4.190 4.094 0.096 1
1 691 . 17 1 1 A 61 61 GLU CA C 61 59.000 59.043 -0.043 1
1 692 . 17 1 1 A 61 61 GLU CB C 61 30.200 29.421 0.779 1
1 694 . 17 1 1 A 61 61 GLU N N 61 119.800 120.148 -0.348 1
1 695 . 17 1 1 A 62 62 GLN H H 62 8.220 7.859 0.361 1
1 696 . 17 1 1 A 62 62 GLN HA H 62 3.830 3.948 -0.118 1
1 703 . 17 1 1 A 62 62 GLN CA C 62 59.900 58.907 0.993 1
1 704 . 17 1 1 A 62 62 GLN CB C 62 29.000 28.272 0.728 1
1 706 . 17 1 1 A 62 62 GLN N N 62 118.700 118.807 -0.107 1
1 708 . 17 1 1 A 63 63 LEU H H 63 7.950 8.149 -0.199 1
1 709 . 17 1 1 A 63 63 LEU HA H 63 4.110 4.019 0.091 1
1 719 . 17 1 1 A 63 63 LEU CA C 63 58.000 58.205 -0.205 1
1 720 . 17 1 1 A 63 63 LEU CB C 63 41.400 41.583 -0.183 1
1 724 . 17 1 1 A 63 63 LEU N N 63 119.200 122.290 -3.090 1
1 725 . 17 1 1 A 64 64 THR H H 64 7.910 7.933 -0.023 1
1 726 . 17 1 1 A 64 64 THR HA H 64 3.790 3.878 -0.088 1
1 731 . 17 1 1 A 64 64 THR CA C 64 66.800 66.301 0.499 1
1 732 . 17 1 1 A 64 64 THR CB C 64 68.700 68.506 0.194 1
1 734 . 17 1 1 A 64 64 THR N N 64 116.000 114.575 1.425 1
1 735 . 17 1 1 A 65 65 ALA H H 65 7.520 7.624 -0.104 1
1 736 . 17 1 1 A 65 65 ALA HA H 65 3.970 4.018 -0.048 1
1 740 . 17 1 1 A 65 65 ALA CA C 65 55.100 55.012 0.088 1
1 741 . 17 1 1 A 65 65 ALA CB C 65 17.900 18.072 -0.172 1
1 742 . 17 1 1 A 65 65 ALA N N 65 125.200 123.623 1.577 1
1 743 . 17 1 1 A 66 66 VAL H H 66 8.420 8.070 0.350 1
1 744 . 17 1 1 A 66 66 VAL HA H 66 3.840 3.307 0.533 1
1 752 . 17 1 1 A 66 66 VAL CA C 66 66.200 66.952 -0.752 1
1 753 . 17 1 1 A 66 66 VAL CB C 66 31.700 31.483 0.217 1
1 756 . 17 1 1 A 66 66 VAL N N 66 119.300 118.843 0.457 1
1 757 . 17 1 1 A 67 67 LYS H H 67 8.570 8.088 0.482 1
1 758 . 17 1 1 A 67 67 LYS HA H 67 3.960 3.926 0.034 1
1 767 . 17 1 1 A 67 67 LYS CA C 67 60.300 60.459 -0.159 1
1 768 . 17 1 1 A 67 67 LYS CB C 67 32.200 32.223 -0.023 1
1 772 . 17 1 1 A 67 67 LYS N N 67 120.600 119.465 1.135 1
1 773 . 17 1 1 A 68 68 ASP H H 68 7.660 8.078 -0.418 1
1 774 . 17 1 1 A 68 68 ASP HA H 68 4.290 4.449 -0.159 1
1 777 . 17 1 1 A 68 68 ASP CA C 68 58.300 57.850 0.450 1
1 778 . 17 1 1 A 68 68 ASP CB C 68 42.700 41.139 1.561 1
1 779 . 17 1 1 A 68 68 ASP N N 68 121.500 119.826 1.674 1
1 780 . 17 1 1 A 69 69 MET H H 69 8.620 7.950 0.670 1
1 781 . 17 1 1 A 69 69 MET HA H 69 4.250 4.477 -0.227 1
1 789 . 17 1 1 A 69 69 MET CA C 69 60.300 58.810 1.490 1
1 790 . 17 1 1 A 69 69 MET CB C 69 32.700 32.886 -0.186 1
1 793 . 17 1 1 A 69 69 MET N N 69 120.100 118.440 1.660 1
1 794 . 17 1 1 A 70 70 ARG H H 70 8.500 8.493 0.007 1
1 795 . 17 1 1 A 70 70 ARG HA H 70 4.110 4.037 0.073 1
1 802 . 17 1 1 A 70 70 ARG CA C 70 59.200 59.469 -0.269 1
1 803 . 17 1 1 A 70 70 ARG CB C 70 29.600 29.809 -0.209 1
1 806 . 17 1 1 A 70 70 ARG N N 70 119.000 118.828 0.172 1
1 807 . 17 1 1 A 71 71 LYS H H 71 8.020 7.904 0.116 1
1 808 . 17 1 1 A 71 71 LYS HA H 71 3.970 4.052 -0.082 1
1 817 . 17 1 1 A 71 71 LYS CA C 71 58.800 59.259 -0.459 1
1 818 . 17 1 1 A 71 71 LYS CB C 71 32.000 32.216 -0.216 1
1 822 . 17 1 1 A 71 71 LYS N N 71 121.100 120.242 0.858 1
1 823 . 17 1 1 A 72 72 ASN H H 72 6.960 8.002 -1.042 1
1 824 . 17 1 1 A 72 72 ASN HA H 72 4.090 4.547 -0.457 1
1 829 . 17 1 1 A 72 72 ASN CA C 72 53.300 52.868 0.432 1
1 830 . 17 1 1 A 72 72 ASN CB C 72 39.000 38.787 0.213 1
1 831 . 17 1 1 A 72 72 ASN N N 72 114.600 113.952 0.648 1
1 833 . 17 1 1 A 73 73 GLY H H 73 7.560 8.031 -0.471 1
1 834 . 17 1 1 A 73 73 GLY HA2 H 73 3.890 3.809 0.081 1
1 835 . 17 1 1 A 73 73 GLY HA3 H 73 3.760 3.890 -0.130 1
1 836 . 17 1 1 A 73 73 GLY CA C 73 45.900 45.552 0.348 1
1 837 . 17 1 1 A 73 73 GLY N N 73 106.700 106.164 0.536 1
1 838 . 17 1 1 A 74 74 TRP H H 74 8.240 8.093 0.147 1
1 839 . 17 1 1 A 74 74 TRP HA H 74 5.260 4.729 0.531 1
1 848 . 17 1 1 A 74 74 TRP CA C 74 53.100 57.376 -4.276 1
1 849 . 17 1 1 A 74 74 TRP CB C 74 31.400 30.357 1.043 1
1 855 . 17 1 1 A 74 74 TRP N N 74 120.700 120.914 -0.214 1
1 857 . 17 1 1 A 75 75 VAL H H 75 9.410 8.855 0.555 1
1 858 . 17 1 1 A 75 75 VAL HA H 75 4.800 4.846 -0.046 1
1 866 . 17 1 1 A 75 75 VAL CA C 75 58.500 59.223 -0.723 1
1 867 . 17 1 1 A 75 75 VAL CB C 75 35.500 35.116 0.384 1
1 870 . 17 1 1 A 75 75 VAL N N 75 112.100 116.139 -4.039 1
1 871 . 17 1 1 A 76 76 MET H H 76 8.800 8.770 0.030 1
1 872 . 17 1 1 A 76 76 MET HA H 76 4.650 4.599 0.051 1
1 880 . 17 1 1 A 76 76 MET CA C 76 56.900 55.161 1.739 1
1 881 . 17 1 1 A 76 76 MET CB C 76 32.600 32.334 0.266 1
1 884 . 17 1 1 A 76 76 MET N N 76 122.400 123.876 -1.476 1
1 885 . 17 1 1 A 77 77 LEU H H 77 8.780 8.714 0.066 1
1 886 . 17 1 1 A 77 77 LEU HA H 77 4.480 4.198 0.282 1
1 896 . 17 1 1 A 77 77 LEU CA C 77 54.100 57.278 -3.178 1
1 897 . 17 1 1 A 77 77 LEU CB C 77 44.700 42.692 2.008 1
1 901 . 17 1 1 A 77 77 LEU N N 77 125.600 128.255 -2.655 1
1 902 . 17 1 1 A 78 78 GLY H H 78 7.590 7.170 0.420 1
1 903 . 17 1 1 A 78 78 GLY HA2 H 78 5.150 4.123 1.027 1
1 904 . 17 1 1 A 78 78 GLY HA3 H 78 3.660 4.132 -0.472 1
1 905 . 17 1 1 A 78 78 GLY CA C 78 45.700 46.019 -0.319 1
1 906 . 17 1 1 A 78 78 GLY N N 78 102.900 103.214 -0.314 1
1 907 . 17 1 1 A 79 79 ASN H H 79 8.520 8.686 -0.166 1
1 908 . 17 1 1 A 79 79 ASN HA H 79 5.230 5.501 -0.271 1
1 913 . 17 1 1 A 79 79 ASN CA C 79 51.100 51.925 -0.825 1
1 914 . 17 1 1 A 79 79 ASN CB C 79 41.500 41.064 0.436 1
1 915 . 17 1 1 A 79 79 ASN N N 79 115.600 118.680 -3.080 1
1 917 . 17 1 1 A 80 80 PHE H H 80 8.410 8.136 0.274 1
1 918 . 17 1 1 A 80 80 PHE HA H 80 6.120 5.936 0.184 1
1 926 . 17 1 1 A 80 80 PHE CA C 80 54.500 55.241 -0.741 1
1 927 . 17 1 1 A 80 80 PHE CB C 80 44.800 42.770 2.030 1
1 931 . 17 1 1 A 80 80 PHE N N 80 113.100 116.429 -3.329 1
1 932 . 17 1 1 A 81 81 HIS H H 81 8.310 9.284 -0.974 1
1 933 . 17 1 1 A 81 81 HIS HA H 81 5.300 5.371 -0.071 1
1 938 . 17 1 1 A 81 81 HIS CA C 81 54.400 54.314 0.086 1
1 939 . 17 1 1 A 81 81 HIS CB C 81 30.300 32.936 -2.636 1
1 942 . 17 1 1 A 81 81 HIS N N 81 111.600 121.880 -10.280 1
1 943 . 17 1 1 A 82 82 SER H H 82 8.390 9.579 -1.189 1
1 944 . 17 1 1 A 82 82 SER HA H 82 5.510 5.417 0.093 1
1 947 . 17 1 1 A 82 82 SER CA C 82 54.800 56.107 -1.307 1
1 948 . 17 1 1 A 82 82 SER CB C 82 66.700 66.479 0.221 1
1 949 . 17 1 1 A 82 82 SER N N 82 112.700 122.719 -10.019 1
1 950 . 17 1 1 A 83 83 HIS H H 83 8.890 8.760 0.130 1
1 951 . 17 1 1 A 83 83 HIS HA H 83 5.480 4.827 0.653 1
1 956 . 17 1 1 A 83 83 HIS CA C 83 49.900 53.666 -3.766 1
1 957 . 17 1 1 A 83 83 HIS CB C 83 32.000 32.618 -0.618 1
1 960 . 17 1 1 A 83 83 HIS N N 83 115.200 121.443 -6.243 1
1 961 . 17 1 1 A 84 84 PRO HA H 84 3.940 4.467 -0.527 1
1 968 . 17 1 1 A 84 84 PRO CA C 84 65.600 64.609 0.991 1
1 969 . 17 1 1 A 84 84 PRO CB C 84 33.300 32.145 1.155 1
1 972 . 17 1 1 A 85 85 ALA H H 85 8.410 8.312 0.098 1
1 973 . 17 1 1 A 85 85 ALA HA H 85 4.670 4.524 0.146 1
1 977 . 17 1 1 A 85 85 ALA CA C 85 51.300 51.592 -0.292 1
1 978 . 17 1 1 A 85 85 ALA CB C 85 21.200 19.639 1.561 1
1 979 . 17 1 1 A 85 85 ALA N N 85 112.800 119.137 -6.337 1
1 980 . 17 1 1 A 86 86 THR H H 86 7.070 7.470 -0.400 1
1 981 . 17 1 1 A 86 86 THR HA H 86 4.960 5.013 -0.053 1
1 986 . 17 1 1 A 86 86 THR CA C 86 58.600 58.508 0.092 1
1 987 . 17 1 1 A 86 86 THR CB C 86 69.500 70.349 -0.849 1
1 989 . 17 1 1 A 86 86 THR N N 86 109.200 108.814 0.386 1
1 990 . 17 1 1 A 87 87 PRO HA H 87 4.630 4.958 -0.328 1
1 997 . 17 1 1 A 87 87 PRO CA C 87 62.700 62.357 0.343 1
1 998 . 17 1 1 A 87 87 PRO CB C 87 33.500 33.088 0.412 1
1 1001 . 17 1 1 A 88 88 ALA H H 88 9.760 8.414 1.346 1
1 1002 . 17 1 1 A 88 88 ALA HA H 88 3.960 4.476 -0.516 1
1 1006 . 17 1 1 A 88 88 ALA CA C 88 51.700 51.712 -0.012 1
1 1007 . 17 1 1 A 88 88 ALA CB C 88 16.300 17.670 -1.370 1
1 1008 . 17 1 1 A 88 88 ALA N N 88 127.600 121.579 6.021 1
1 1009 . 17 1 1 A 89 89 ARG H H 89 7.570 8.113 -0.543 1
1 1010 . 17 1 1 A 89 89 ARG HA H 89 4.280 4.530 -0.250 1
1 1017 . 17 1 1 A 89 89 ARG CA C 89 53.200 52.530 0.670 1
1 1018 . 17 1 1 A 89 89 ARG CB C 89 31.300 32.174 -0.874 1
1 1021 . 17 1 1 A 89 89 ARG N N 89 118.300 119.973 -1.673 1
1 1022 . 17 1 1 A 90 90 PRO HA H 90 4.510 4.587 -0.077 1
1 1029 . 17 1 1 A 90 90 PRO CA C 90 62.900 62.514 0.386 1
1 1030 . 17 1 1 A 90 90 PRO CB C 90 31.300 32.013 -0.713 1
1 1033 . 17 1 1 A 91 91 SER H H 91 9.630 8.565 1.065 1
1 1034 . 17 1 1 A 91 91 SER HA H 91 4.600 4.664 -0.064 1
1 1037 . 17 1 1 A 91 91 SER CA C 91 56.500 57.387 -0.887 1
1 1038 . 17 1 1 A 91 91 SER CB C 91 66.000 64.498 1.502 1
1 1039 . 17 1 1 A 91 91 SER N N 91 122.500 117.618 4.882 1
1 1040 . 17 1 1 A 92 92 ALA H H 92 8.910 9.041 -0.131 1
1 1041 . 17 1 1 A 92 92 ALA HA H 92 3.980 3.983 -0.003 1
1 1045 . 17 1 1 A 92 92 ALA CA C 92 55.900 55.330 0.570 1
1 1046 . 17 1 1 A 92 92 ALA CB C 92 17.800 18.050 -0.250 1
1 1047 . 17 1 1 A 92 92 ALA N N 92 123.000 127.863 -4.863 1
1 1048 . 17 1 1 A 93 93 GLU H H 93 8.370 8.021 0.349 1
1 1049 . 17 1 1 A 93 93 GLU HA H 93 4.070 4.021 0.049 1
1 1054 . 17 1 1 A 93 93 GLU CA C 93 58.900 58.947 -0.047 1
1 1055 . 17 1 1 A 93 93 GLU CB C 93 28.800 29.366 -0.566 1
1 1057 . 17 1 1 A 93 93 GLU N N 93 118.800 118.804 -0.004 1
1 1058 . 17 1 1 A 94 94 ASP H H 94 7.770 8.202 -0.432 1
1 1059 . 17 1 1 A 94 94 ASP HA H 94 4.260 4.298 -0.038 1
1 1062 . 17 1 1 A 94 94 ASP CA C 94 57.100 57.264 -0.164 1
1 1063 . 17 1 1 A 94 94 ASP CB C 94 40.200 40.975 -0.775 1
1 1064 . 17 1 1 A 94 94 ASP N N 94 119.200 120.444 -1.244 1
1 1065 . 17 1 1 A 95 95 LYS H H 95 7.830 8.253 -0.423 1
1 1066 . 17 1 1 A 95 95 LYS HA H 95 3.720 3.797 -0.077 1
1 1075 . 17 1 1 A 95 95 LYS CA C 95 59.500 58.844 0.656 1
1 1076 . 17 1 1 A 95 95 LYS CB C 95 31.900 31.994 -0.094 1
1 1080 . 17 1 1 A 95 95 LYS N N 95 116.400 118.492 -2.092 1
1 1081 . 17 1 1 A 96 96 ARG H H 96 7.570 7.709 -0.139 1
1 1082 . 17 1 1 A 96 96 ARG HA H 96 3.940 3.977 -0.037 1
1 1089 . 17 1 1 A 96 96 ARG CA C 96 58.500 58.104 0.396 1
1 1090 . 17 1 1 A 96 96 ARG CB C 96 30.100 30.143 -0.043 1
1 1093 . 17 1 1 A 96 96 ARG N N 96 119.400 118.274 1.126 1
1 1094 . 17 1 1 A 97 97 LEU H H 97 7.270 7.372 -0.102 1
1 1095 . 17 1 1 A 97 97 LEU HA H 97 4.030 3.825 0.205 1
1 1105 . 17 1 1 A 97 97 LEU CA C 97 54.400 55.236 -0.836 1
1 1106 . 17 1 1 A 97 97 LEU CB C 97 41.600 41.211 0.389 1
1 1110 . 17 1 1 A 97 97 LEU N N 97 116.100 116.979 -0.879 1
1 1111 . 17 1 1 A 98 98 ALA H H 98 6.950 7.069 -0.119 1
1 1112 . 17 1 1 A 98 98 ALA HA H 98 4.230 4.238 -0.008 1
1 1116 . 17 1 1 A 98 98 ALA CA C 98 50.800 51.119 -0.319 1
1 1117 . 17 1 1 A 98 98 ALA CB C 98 16.700 18.552 -1.852 1
1 1118 . 17 1 1 A 98 98 ALA N N 98 124.800 123.039 1.761 1
1 1119 . 17 1 1 A 99 99 PHE H H 99 7.630 8.076 -0.446 1
1 1120 . 17 1 1 A 99 99 PHE HA H 99 4.490 4.566 -0.076 1
1 1128 . 17 1 1 A 99 99 PHE CA C 99 58.200 59.108 -0.908 1
1 1129 . 17 1 1 A 99 99 PHE CB C 99 39.500 39.896 -0.396 1
1 1133 . 17 1 1 A 99 99 PHE N N 99 120.400 122.372 -1.972 1
1 1134 . 17 1 1 A 100 100 ASP H H 100 7.320 7.935 -0.615 1
1 1135 . 17 1 1 A 100 100 ASP HA H 100 5.240 4.967 0.273 1
1 1138 . 17 1 1 A 100 100 ASP CA C 100 49.900 51.029 -1.129 1
1 1139 . 17 1 1 A 100 100 ASP CB C 100 42.200 42.799 -0.599 1
1 1140 . 17 1 1 A 100 100 ASP N N 100 118.200 119.807 -1.607 1
1 1141 . 17 1 1 A 101 101 PRO HA H 101 5.040 4.476 0.564 1
1 1148 . 17 1 1 A 101 101 PRO CA C 101 64.200 64.063 0.137 1
1 1149 . 17 1 1 A 101 101 PRO CB C 101 32.800 31.702 1.098 1
1 1152 . 17 1 1 A 102 102 SER H H 102 8.950 8.208 0.742 1
1 1153 . 17 1 1 A 102 102 SER HA H 102 4.530 4.657 -0.127 1
1 1156 . 17 1 1 A 102 102 SER CA C 102 59.300 59.333 -0.033 1
1 1157 . 17 1 1 A 102 102 SER CB C 102 64.500 65.233 -0.733 1
1 1158 . 17 1 1 A 102 102 SER N N 102 117.700 112.077 5.623 1
1 1159 . 17 1 1 A 103 103 LEU H H 103 6.850 8.585 -1.735 1
1 1160 . 17 1 1 A 103 103 LEU HA H 103 4.200 4.156 0.044 1
1 1170 . 17 1 1 A 103 103 LEU CA C 103 53.700 57.102 -3.402 1
1 1171 . 17 1 1 A 103 103 LEU CB C 103 41.800 40.838 0.962 1
1 1175 . 17 1 1 A 103 103 LEU N N 103 121.100 120.773 0.327 1
1 1176 . 17 1 1 A 104 104 SER H H 104 8.080 8.775 -0.695 1
1 1177 . 17 1 1 A 104 104 SER HA H 104 4.310 5.116 -0.806 1
1 1180 . 17 1 1 A 104 104 SER CA C 104 60.300 57.689 2.611 1
1 1181 . 17 1 1 A 104 104 SER CB C 104 63.300 64.660 -1.360 1
1 1182 . 17 1 1 A 104 104 SER N N 104 116.100 117.035 -0.935 1
1 1183 . 17 1 1 A 105 105 TYR H H 105 8.790 9.106 -0.316 1
1 1184 . 17 1 1 A 105 105 TYR HA H 105 4.750 5.005 -0.255 1
1 1191 . 17 1 1 A 105 105 TYR CA C 105 57.100 56.602 0.498 1
1 1192 . 17 1 1 A 105 105 TYR CB C 105 37.700 39.347 -1.647 1
1 1195 . 17 1 1 A 105 105 TYR N N 105 122.700 127.903 -5.203 1
1 1196 . 17 1 1 A 106 106 LEU H H 106 8.750 8.998 -0.248 1
1 1197 . 17 1 1 A 106 106 LEU HA H 106 5.290 5.051 0.239 1
1 1207 . 17 1 1 A 106 106 LEU CA C 106 56.000 54.167 1.833 1
1 1208 . 17 1 1 A 106 106 LEU CB C 106 43.400 42.434 0.966 1
1 1212 . 17 1 1 A 106 106 LEU N N 106 125.200 129.212 -4.012 1
1 1213 . 17 1 1 A 107 107 ILE H H 107 9.480 9.220 0.260 1
1 1214 . 17 1 1 A 107 107 ILE HA H 107 4.630 5.376 -0.746 1
1 1224 . 17 1 1 A 107 107 ILE CA C 107 59.700 60.137 -0.437 1
1 1225 . 17 1 1 A 107 107 ILE CB C 107 40.500 39.726 0.774 1
1 1229 . 17 1 1 A 107 107 ILE N N 107 123.800 125.229 -1.429 1
1 1230 . 17 1 1 A 108 108 ILE H H 108 7.820 9.528 -1.708 1
1 1231 . 17 1 1 A 108 108 ILE HA H 108 4.950 5.149 -0.199 1
1 1241 . 17 1 1 A 108 108 ILE CA C 108 58.600 59.877 -1.277 1
1 1242 . 17 1 1 A 108 108 ILE CB C 108 41.700 38.975 2.725 1
1 1246 . 17 1 1 A 108 108 ILE N N 108 125.200 130.067 -4.867 1
1 1247 . 17 1 1 A 109 109 SER H H 109 9.780 9.368 0.412 1
1 1248 . 17 1 1 A 109 109 SER HA H 109 5.430 4.767 0.663 1
1 1251 . 17 1 1 A 109 109 SER CA C 109 56.400 56.656 -0.256 1
1 1252 . 17 1 1 A 109 109 SER CB C 109 64.900 63.544 1.356 1
1 1253 . 17 1 1 A 109 109 SER N N 109 120.300 122.120 -1.820 1
1 1254 . 17 1 1 A 110 110 LEU H H 110 8.110 8.975 -0.865 1
1 1255 . 17 1 1 A 110 110 LEU HA H 110 4.630 4.634 -0.004 1
1 1265 . 17 1 1 A 110 110 LEU CA C 110 53.300 54.457 -1.157 1
1 1266 . 17 1 1 A 110 110 LEU CB C 110 41.100 41.792 -0.692 1
1 1270 . 17 1 1 A 110 110 LEU N N 110 130.700 129.685 1.015 1
1 1271 . 17 1 1 A 111 111 ALA H H 111 7.390 8.109 -0.719 1
1 1272 . 17 1 1 A 111 111 ALA HA H 111 3.920 4.442 -0.522 1
1 1276 . 17 1 1 A 111 111 ALA CA C 111 55.200 54.120 1.080 1
1 1277 . 17 1 1 A 111 111 ALA CB C 111 17.900 18.566 -0.666 1
1 1278 . 17 1 1 A 111 111 ALA N N 111 121.000 122.438 -1.438 1
1 1279 . 17 1 1 A 112 112 GLU H H 112 8.290 7.835 0.455 1
1 1280 . 17 1 1 A 112 112 GLU HA H 112 4.830 4.784 0.046 1
1 1285 . 17 1 1 A 112 112 GLU CA C 112 52.600 52.901 -0.301 1
1 1286 . 17 1 1 A 112 112 GLU CB C 112 29.300 32.843 -3.543 1
1 1288 . 17 1 1 A 112 112 GLU N N 112 116.400 117.145 -0.745 1
1 1289 . 17 1 1 A 113 113 PRO HA H 113 3.940 4.541 -0.601 1
1 1296 . 17 1 1 A 113 113 PRO CA C 113 65.600 64.300 1.300 1
1 1297 . 17 1 1 A 113 113 PRO CB C 113 31.900 31.991 -0.091 1
1 1300 . 17 1 1 A 114 114 GLN H H 114 8.610 8.549 0.061 1
1 1301 . 17 1 1 A 114 114 GLN HA H 114 4.250 4.301 -0.051 1
1 1308 . 17 1 1 A 114 114 GLN CA C 114 56.100 56.644 -0.544 1
1 1309 . 17 1 1 A 114 114 GLN CB C 114 28.300 29.333 -1.033 1
1 1311 . 17 1 1 A 114 114 GLN N N 114 113.500 116.561 -3.061 1
1 1313 . 17 1 1 A 115 115 LYS H H 115 8.040 7.706 0.334 1
1 1314 . 17 1 1 A 115 115 LYS HA H 115 4.620 4.646 -0.026 1
1 1323 . 17 1 1 A 115 115 LYS CA C 115 53.500 53.978 -0.478 1
1 1324 . 17 1 1 A 115 115 LYS CB C 115 33.400 33.227 0.173 1
1 1328 . 17 1 1 A 115 115 LYS N N 115 121.000 119.863 1.137 1
1 1329 . 17 1 1 A 116 116 PRO HA H 116 4.560 5.007 -0.447 1
1 1336 . 17 1 1 A 116 116 PRO CA C 116 62.900 62.377 0.523 1
1 1337 . 17 1 1 A 116 116 PRO CB C 116 32.500 31.910 0.590 1
1 1340 . 17 1 1 A 117 117 VAL H H 117 7.850 8.377 -0.527 1
1 1341 . 17 1 1 A 117 117 VAL HA H 117 4.360 4.211 0.149 1
1 1349 . 17 1 1 A 117 117 VAL CA C 117 61.200 61.910 -0.710 1
1 1350 . 17 1 1 A 117 117 VAL CB C 117 35.900 31.780 4.120 1
1 1353 . 17 1 1 A 117 117 VAL N N 117 120.600 123.610 -3.010 1
1 1354 . 17 1 1 A 118 118 CYS H H 118 8.820 8.871 -0.051 1
1 1355 . 17 1 1 A 118 118 CYS HA H 118 5.340 5.452 -0.112 1
1 1358 . 17 1 1 A 118 118 CYS CA C 118 56.400 56.982 -0.582 1
1 1359 . 17 1 1 A 118 118 CYS CB C 118 28.700 29.627 -0.927 1
1 1360 . 17 1 1 A 118 118 CYS N N 118 127.100 126.397 0.703 1
1 1361 . 17 1 1 A 119 119 LYS H H 119 8.530 8.912 -0.382 1
1 1362 . 17 1 1 A 119 119 LYS HA H 119 4.590 4.795 -0.205 1
1 1371 . 17 1 1 A 119 119 LYS CA C 119 54.900 54.456 0.444 1
1 1372 . 17 1 1 A 119 119 LYS CB C 119 39.600 36.249 3.351 1
1 1376 . 17 1 1 A 119 119 LYS N N 119 126.400 126.122 0.278 1
1 1377 . 17 1 1 A 120 120 SER H H 120 8.220 8.626 -0.406 1
1 1378 . 17 1 1 A 120 120 SER HA H 120 4.870 5.222 -0.352 1
1 1381 . 17 1 1 A 120 120 SER CA C 120 56.300 56.373 -0.073 1
1 1382 . 17 1 1 A 120 120 SER CB C 120 63.300 65.126 -1.826 1
1 1383 . 17 1 1 A 120 120 SER N N 120 114.500 116.775 -2.275 1
1 1384 . 17 1 1 A 121 121 PHE H H 121 8.450 9.674 -1.224 1
1 1385 . 17 1 1 A 121 121 PHE HA H 121 5.160 5.031 0.129 1
1 1393 . 17 1 1 A 121 121 PHE CA C 121 57.200 56.404 0.796 1
1 1394 . 17 1 1 A 121 121 PHE CB C 121 42.700 42.097 0.603 1
1 1398 . 17 1 1 A 121 121 PHE N N 121 124.400 124.884 -0.484 1
1 1399 . 17 1 1 A 122 122 LEU H H 122 9.070 9.762 -0.692 1
1 1400 . 17 1 1 A 122 122 LEU HA H 122 5.270 4.995 0.275 1
1 1410 . 17 1 1 A 122 122 LEU CA C 122 53.300 53.728 -0.428 1
1 1411 . 17 1 1 A 122 122 LEU CB C 122 42.200 42.133 0.067 1
1 1415 . 17 1 1 A 122 122 LEU N N 122 120.900 124.258 -3.358 1
1 1416 . 17 1 1 A 123 123 ILE H H 123 9.730 8.400 1.330 1
1 1417 . 17 1 1 A 123 123 ILE HA H 123 4.290 4.463 -0.173 1
1 1427 . 17 1 1 A 123 123 ILE CA C 123 61.400 60.870 0.530 1
1 1428 . 17 1 1 A 123 123 ILE CB C 123 38.000 37.291 0.709 1
1 1432 . 17 1 1 A 123 123 ILE N N 123 125.900 125.866 0.034 1
1 1433 . 17 1 1 A 124 124 LYS H H 124 8.080 8.545 -0.465 1
1 1434 . 17 1 1 A 124 124 LYS HA H 124 4.720 4.691 0.029 1
1 1443 . 17 1 1 A 124 124 LYS CA C 124 54.100 54.341 -0.241 1
1 1444 . 17 1 1 A 124 124 LYS CB C 124 34.700 34.752 -0.052 1
1 1448 . 17 1 1 A 124 124 LYS N N 124 124.600 128.166 -3.566 1
1 1449 . 17 1 1 A 125 125 LYS H H 125 8.830 8.854 -0.024 1
1 1450 . 17 1 1 A 125 125 LYS HA H 125 4.000 3.940 0.060 1
1 1459 . 17 1 1 A 125 125 LYS CA C 125 59.000 59.534 -0.534 1
1 1460 . 17 1 1 A 125 125 LYS CB C 125 31.700 32.478 -0.778 1
1 1464 . 17 1 1 A 125 125 LYS N N 125 120.900 123.405 -2.505 1
1 1465 . 17 1 1 A 126 126 ASP H H 126 8.160 8.162 -0.002 1
1 1466 . 17 1 1 A 126 126 ASP HA H 126 4.650 4.705 -0.055 1
1 1469 . 17 1 1 A 126 126 ASP CA C 126 53.100 54.087 -0.987 1
1 1470 . 17 1 1 A 126 126 ASP CB C 126 40.300 41.555 -1.255 1
1 1471 . 17 1 1 A 126 126 ASP N N 126 113.200 117.324 -4.124 1
1 1472 . 17 1 1 A 127 127 GLY H H 127 7.370 7.452 -0.082 1
1 1473 . 17 1 1 A 127 127 GLY HA2 H 127 4.300 4.035 0.265 1
1 1474 . 17 1 1 A 127 127 GLY HA3 H 127 3.900 4.047 -0.147 1
1 1475 . 17 1 1 A 127 127 GLY CA C 127 45.200 45.666 -0.466 1
1 1476 . 17 1 1 A 127 127 GLY N N 127 107.600 106.824 0.776 1
1 1477 . 17 1 1 A 128 128 VAL H H 128 8.130 8.384 -0.254 1
1 1478 . 17 1 1 A 128 128 VAL HA H 128 4.900 5.110 -0.210 1
1 1486 . 17 1 1 A 128 128 VAL CA C 128 60.900 59.054 1.846 1
1 1487 . 17 1 1 A 128 128 VAL CB C 128 34.000 35.313 -1.313 1
1 1490 . 17 1 1 A 128 128 VAL N N 128 118.900 119.590 -0.690 1
1 1491 . 17 1 1 A 129 129 ASP H H 129 9.250 8.900 0.350 1
1 1492 . 17 1 1 A 129 129 ASP HA H 129 5.220 5.372 -0.152 1
1 1495 . 17 1 1 A 129 129 ASP CA C 129 52.300 52.719 -0.419 1
1 1496 . 17 1 1 A 129 129 ASP CB C 129 43.600 44.359 -0.759 1
1 1497 . 17 1 1 A 129 129 ASP N N 129 126.500 127.829 -1.329 1
1 1498 . 17 1 1 A 130 130 GLU H H 130 8.900 8.806 0.094 1
1 1499 . 17 1 1 A 130 130 GLU HA H 130 4.420 4.573 -0.153 1
1 1504 . 17 1 1 A 130 130 GLU CA C 130 56.400 56.357 0.043 1
1 1505 . 17 1 1 A 130 130 GLU CB C 130 29.800 30.012 -0.212 1
1 1507 . 17 1 1 A 130 130 GLU N N 130 124.000 124.127 -0.127 1
1 1508 . 17 1 1 A 131 131 GLU H H 131 8.860 9.108 -0.248 1
1 1509 . 17 1 1 A 131 131 GLU HA H 131 4.430 4.826 -0.396 1
1 1514 . 17 1 1 A 131 131 GLU CA C 131 53.500 54.771 -1.271 1
1 1515 . 17 1 1 A 131 131 GLU CB C 131 32.500 32.041 0.459 1
1 1517 . 17 1 1 A 131 131 GLU N N 131 129.200 124.743 4.457 1
1 1518 . 17 1 1 A 132 132 GLU H H 132 8.610 8.440 0.170 1
1 1519 . 17 1 1 A 132 132 GLU HA H 132 4.050 4.102 -0.052 1
1 1524 . 17 1 1 A 132 132 GLU CA C 132 57.100 56.645 0.455 1
1 1525 . 17 1 1 A 132 132 GLU CB C 132 30.100 29.868 0.232 1
1 1527 . 17 1 1 A 132 132 GLU N N 132 126.400 124.086 2.314 1
1 1528 . 17 1 1 A 133 133 ILE H H 133 8.200 8.769 -0.569 1
1 1529 . 17 1 1 A 133 133 ILE HA H 133 4.740 4.699 0.041 1
1 1539 . 17 1 1 A 133 133 ILE CA C 133 60.000 59.595 0.405 1
1 1540 . 17 1 1 A 133 133 ILE CB C 133 39.300 38.738 0.562 1
1 1544 . 17 1 1 A 133 133 ILE N N 133 124.500 125.000 -0.500 1
1 1545 . 17 1 1 A 134 134 ILE H H 134 9.000 9.231 -0.231 1
1 1546 . 17 1 1 A 134 134 ILE HA H 134 4.190 4.807 -0.617 1
1 1556 . 17 1 1 A 134 134 ILE CA C 134 59.000 59.480 -0.480 1
1 1557 . 17 1 1 A 134 134 ILE CB C 134 38.300 39.346 -1.046 1
1 1561 . 17 1 1 A 134 134 ILE N N 134 130.900 128.909 1.991 1
1 1562 . 17 1 1 A 135 135 LEU H H 135 8.360 8.997 -0.637 1
1 1563 . 17 1 1 A 135 135 LEU HA H 135 5.190 5.207 -0.017 1
1 1573 . 17 1 1 A 135 135 LEU CA C 135 52.700 53.619 -0.919 1
1 1574 . 17 1 1 A 135 135 LEU CB C 135 42.800 43.865 -1.065 1
1 1578 . 17 1 1 A 135 135 LEU N N 135 127.100 127.945 -0.845 1
1 1579 . 17 1 1 A 136 136 LYS H H 136 8.790 8.747 0.043 1
1 1580 . 17 1 1 A 136 136 LYS HA H 136 4.330 4.792 -0.462 1
1 1589 . 17 1 1 A 136 136 LYS CA C 136 55.600 54.516 1.084 1
1 1590 . 17 1 1 A 136 136 LYS CB C 136 34.600 34.868 -0.268 1
1 1594 . 17 1 1 A 136 136 LYS N N 136 125.100 123.046 2.054 1
1 1595 . 17 1 1 A 137 137 GLU H H 137 8.850 8.695 0.155 1
1 1596 . 17 1 1 A 137 137 GLU HA H 137 4.240 4.154 0.086 1
1 1601 . 17 1 1 A 137 137 GLU CA C 137 57.600 58.773 -1.173 1
1 1602 . 17 1 1 A 137 137 GLU CB C 137 29.900 30.785 -0.885 1
1 1604 . 17 1 1 A 137 137 GLU N N 137 121.100 122.376 -1.276 1
1 1605 . 17 1 1 A 138 138 GLU H H 138 8.150 7.753 0.397 1
1 1606 . 17 1 1 A 138 138 GLU HA H 138 4.370 4.715 -0.345 1
1 1611 . 17 1 1 A 138 138 GLU CA C 138 55.800 55.626 0.174 1
1 1612 . 17 1 1 A 138 138 GLU CB C 138 30.700 33.247 -2.547 1
1 1614 . 17 1 1 A 138 138 GLU N N 138 119.300 118.670 0.630 1
1 1615 . 17 1 1 A 139 139 LEU H H 139 8.240 8.595 -0.355 1
1 1616 . 17 1 1 A 139 139 LEU HA H 139 4.180 4.337 -0.157 1
1 1626 . 17 1 1 A 139 139 LEU CA C 139 55.400 55.410 -0.010 1
1 1627 . 17 1 1 A 139 139 LEU CB C 139 42.300 42.041 0.259 1
1 1631 . 17 1 1 A 139 139 LEU N N 139 122.800 124.014 -1.214 1
1 1632 . 17 1 1 A 140 140 GLU H H 140 8.250 8.449 -0.199 1
1 1633 . 17 1 1 A 140 140 GLU HA H 140 4.150 4.785 -0.635 1
1 1638 . 17 1 1 A 140 140 GLU CA C 140 56.400 55.808 0.592 1
1 1639 . 17 1 1 A 140 140 GLU CB C 140 29.900 30.475 -0.575 1
1 1641 . 17 1 1 A 140 140 GLU N N 140 120.700 122.335 -1.635 1
1 1642 . 17 1 1 A 141 141 HIS H H 141 8.400 8.808 -0.408 1
1 13 . 18 1 1 A 2 2 ILE H H 2 8.780 8.392 0.388 1
1 14 . 18 1 1 A 2 2 ILE HA H 2 5.060 5.001 0.059 1
1 24 . 18 1 1 A 2 2 ILE CA C 2 58.500 59.140 -0.640 1
1 25 . 18 1 1 A 2 2 ILE CB C 2 41.300 40.727 0.573 1
1 29 . 18 1 1 A 2 2 ILE N N 2 124.600 121.604 2.996 1
1 30 . 18 1 1 A 3 3 THR H H 3 8.280 8.978 -0.698 1
1 31 . 18 1 1 A 3 3 THR HA H 3 5.350 5.234 0.116 1
1 36 . 18 1 1 A 3 3 THR CA C 3 60.900 61.873 -0.973 1
1 37 . 18 1 1 A 3 3 THR CB C 3 69.900 70.423 -0.523 1
1 39 . 18 1 1 A 3 3 THR N N 3 123.200 124.560 -1.360 1
1 40 . 18 1 1 A 4 4 LEU H H 4 8.710 8.894 -0.184 1
1 41 . 18 1 1 A 4 4 LEU HA H 4 5.040 5.025 0.015 1
1 51 . 18 1 1 A 4 4 LEU CA C 4 53.800 53.533 0.267 1
1 52 . 18 1 1 A 4 4 LEU CB C 4 45.800 45.675 0.125 1
1 56 . 18 1 1 A 4 4 LEU N N 4 127.600 122.709 4.891 1
1 57 . 18 1 1 A 5 5 THR H H 5 8.440 8.256 0.184 1
1 58 . 18 1 1 A 5 5 THR HA H 5 5.040 4.776 0.264 1
1 63 . 18 1 1 A 5 5 THR CA C 5 59.300 60.091 -0.791 1
1 64 . 18 1 1 A 5 5 THR CB C 5 71.000 71.633 -0.633 1
1 66 . 18 1 1 A 5 5 THR N N 5 109.500 111.621 -2.121 1
1 67 . 18 1 1 A 6 6 LYS H H 6 8.730 8.955 -0.225 1
1 68 . 18 1 1 A 6 6 LYS HA H 6 3.810 3.934 -0.124 1
1 77 . 18 1 1 A 6 6 LYS CA C 6 60.000 60.336 -0.336 1
1 78 . 18 1 1 A 6 6 LYS CB C 6 32.000 32.010 -0.010 1
1 82 . 18 1 1 A 6 6 LYS N N 6 121.500 122.526 -1.026 1
1 83 . 18 1 1 A 7 7 LYS H H 7 8.290 7.925 0.365 1
1 84 . 18 1 1 A 7 7 LYS HA H 7 3.990 3.931 0.059 1
1 93 . 18 1 1 A 7 7 LYS CA C 7 59.200 59.473 -0.273 1
1 94 . 18 1 1 A 7 7 LYS CB C 7 32.400 31.871 0.529 1
1 98 . 18 1 1 A 7 7 LYS N N 7 118.800 118.698 0.102 1
1 99 . 18 1 1 A 8 8 GLN H H 8 7.650 7.576 0.074 1
1 100 . 18 1 1 A 8 8 GLN HA H 8 3.890 3.997 -0.107 1
1 107 . 18 1 1 A 8 8 GLN CA C 8 58.100 59.150 -1.050 1
1 108 . 18 1 1 A 8 8 GLN CB C 8 27.400 28.637 -1.237 1
1 110 . 18 1 1 A 8 8 GLN N N 8 119.800 118.135 1.665 1
1 112 . 18 1 1 A 9 9 MET H H 9 8.130 7.933 0.197 1
1 113 . 18 1 1 A 9 9 MET HA H 9 4.130 4.012 0.118 1
1 121 . 18 1 1 A 9 9 MET CA C 9 57.500 58.232 -0.732 1
1 122 . 18 1 1 A 9 9 MET CB C 9 30.900 32.029 -1.129 1
1 125 . 18 1 1 A 9 9 MET N N 9 118.300 119.702 -1.402 1
1 126 . 18 1 1 A 10 10 GLU H H 10 8.460 8.345 0.115 1
1 127 . 18 1 1 A 10 10 GLU HA H 10 3.890 3.946 -0.056 1
1 132 . 18 1 1 A 10 10 GLU CA C 10 59.100 59.652 -0.552 1
1 133 . 18 1 1 A 10 10 GLU CB C 10 28.500 29.189 -0.689 1
1 135 . 18 1 1 A 10 10 GLU N N 10 118.500 117.953 0.547 1
1 136 . 18 1 1 A 11 11 GLU H H 11 8.200 8.129 0.071 1
1 137 . 18 1 1 A 11 11 GLU HA H 11 4.070 4.034 0.036 1
1 142 . 18 1 1 A 11 11 GLU CA C 11 59.200 59.208 -0.008 1
1 143 . 18 1 1 A 11 11 GLU CB C 11 28.900 29.613 -0.713 1
1 145 . 18 1 1 A 11 11 GLU N N 11 120.800 120.241 0.559 1
1 146 . 18 1 1 A 12 12 MET H H 12 7.780 8.221 -0.441 1
1 147 . 18 1 1 A 12 12 MET HA H 12 3.390 4.020 -0.630 1
1 155 . 18 1 1 A 12 12 MET CA C 12 60.600 58.620 1.980 1
1 156 . 18 1 1 A 12 12 MET CB C 12 33.900 32.965 0.935 1
1 159 . 18 1 1 A 12 12 MET N N 12 119.300 119.182 0.118 1
1 160 . 18 1 1 A 13 13 LEU H H 13 8.340 8.676 -0.336 1
1 161 . 18 1 1 A 13 13 LEU HA H 13 3.770 3.983 -0.213 1
1 171 . 18 1 1 A 13 13 LEU CA C 13 58.000 57.946 0.054 1
1 172 . 18 1 1 A 13 13 LEU CB C 13 41.400 41.588 -0.188 1
1 176 . 18 1 1 A 13 13 LEU N N 13 118.600 119.885 -1.285 1
1 177 . 18 1 1 A 14 14 ALA H H 14 8.620 8.528 0.092 1
1 178 . 18 1 1 A 14 14 ALA HA H 14 4.100 4.079 0.021 1
1 182 . 18 1 1 A 14 14 ALA CA C 14 55.200 55.275 -0.075 1
1 183 . 18 1 1 A 14 14 ALA CB C 14 17.800 18.290 -0.490 1
1 184 . 18 1 1 A 14 14 ALA N N 14 121.500 121.372 0.128 1
1 185 . 18 1 1 A 15 15 HIS H H 15 7.780 7.843 -0.063 1
1 186 . 18 1 1 A 15 15 HIS HA H 15 4.460 4.271 0.189 1
1 190 . 18 1 1 A 15 15 HIS CA C 15 59.000 59.877 -0.877 1
1 191 . 18 1 1 A 15 15 HIS CB C 15 29.300 29.429 -0.129 1
1 193 . 18 1 1 A 15 15 HIS N N 15 116.700 118.079 -1.379 1
1 194 . 18 1 1 A 16 16 ALA H H 16 8.390 8.473 -0.083 1
1 195 . 18 1 1 A 16 16 ALA HA H 16 4.100 3.979 0.121 1
1 199 . 18 1 1 A 16 16 ALA CA C 16 54.500 55.413 -0.913 1
1 200 . 18 1 1 A 16 16 ALA CB C 16 18.200 18.387 -0.187 1
1 201 . 18 1 1 A 16 16 ALA N N 16 120.000 121.363 -1.363 1
1 202 . 18 1 1 A 17 17 ARG H H 17 8.820 8.493 0.327 1
1 203 . 18 1 1 A 17 17 ARG HA H 17 3.890 4.058 -0.168 1
1 210 . 18 1 1 A 17 17 ARG CA C 17 59.900 58.953 0.947 1
1 211 . 18 1 1 A 17 17 ARG CB C 17 30.100 30.099 0.001 1
1 214 . 18 1 1 A 17 17 ARG N N 17 118.900 117.180 1.720 1
1 215 . 18 1 1 A 18 18 GLN H H 18 8.130 7.676 0.454 1
1 216 . 18 1 1 A 18 18 GLN HA H 18 4.060 4.078 -0.018 1
1 223 . 18 1 1 A 18 18 GLN CA C 18 57.900 58.258 -0.358 1
1 224 . 18 1 1 A 18 18 GLN CB C 18 28.000 28.647 -0.647 1
1 226 . 18 1 1 A 18 18 GLN N N 18 118.100 119.342 -1.242 1
1 228 . 18 1 1 A 19 19 ALA H H 19 7.090 7.274 -0.184 1
1 229 . 18 1 1 A 19 19 ALA HA H 19 4.220 4.153 0.067 1
1 233 . 18 1 1 A 19 19 ALA CA C 19 52.300 53.099 -0.799 1
1 234 . 18 1 1 A 19 19 ALA CB C 19 20.600 19.475 1.125 1
1 235 . 18 1 1 A 19 19 ALA N N 19 117.600 120.568 -2.968 1
1 236 . 18 1 1 A 20 20 LEU H H 20 7.020 7.026 -0.006 1
1 237 . 18 1 1 A 20 20 LEU HA H 20 4.110 4.389 -0.279 1
1 247 . 18 1 1 A 20 20 LEU CA C 20 54.600 53.879 0.721 1
1 248 . 18 1 1 A 20 20 LEU CB C 20 40.400 41.252 -0.852 1
1 252 . 18 1 1 A 20 20 LEU N N 20 117.900 122.105 -4.205 1
1 253 . 18 1 1 A 21 21 PRO HA H 21 4.320 4.623 -0.303 1
1 260 . 18 1 1 A 21 21 PRO CA C 21 63.700 63.634 0.066 1
1 261 . 18 1 1 A 21 21 PRO CB C 21 35.000 32.366 2.634 1
1 264 . 18 1 1 A 22 22 ASN H H 22 8.690 8.105 0.585 1
1 265 . 18 1 1 A 22 22 ASN HA H 22 4.570 5.062 -0.492 1
1 270 . 18 1 1 A 22 22 ASN CA C 22 52.400 52.297 0.103 1
1 271 . 18 1 1 A 22 22 ASN CB C 22 40.000 40.101 -0.101 1
1 272 . 18 1 1 A 22 22 ASN N N 22 122.000 120.998 1.002 1
1 274 . 18 1 1 A 23 23 GLU H H 23 8.540 8.411 0.129 1
1 275 . 18 1 1 A 23 23 GLU HA H 23 4.050 4.876 -0.826 1
1 280 . 18 1 1 A 23 23 GLU CA C 23 57.300 55.230 2.070 1
1 281 . 18 1 1 A 23 23 GLU CB C 23 29.000 31.134 -2.134 1
1 283 . 18 1 1 A 23 23 GLU N N 23 116.100 118.378 -2.278 1
1 284 . 18 1 1 A 24 24 ALA H H 24 8.390 8.726 -0.336 1
1 285 . 18 1 1 A 24 24 ALA HA H 24 5.040 5.252 -0.212 1
1 289 . 18 1 1 A 24 24 ALA CA C 24 48.900 51.090 -2.190 1
1 290 . 18 1 1 A 24 24 ALA CB C 24 23.200 21.598 1.602 1
1 291 . 18 1 1 A 24 24 ALA N N 24 124.800 121.806 2.994 1
1 292 . 18 1 1 A 25 25 CYS H H 25 8.910 9.273 -0.363 1
1 293 . 18 1 1 A 25 25 CYS HA H 25 5.000 5.324 -0.324 1
1 296 . 18 1 1 A 25 25 CYS CA C 25 55.000 56.911 -1.911 1
1 297 . 18 1 1 A 25 25 CYS CB C 25 32.600 31.298 1.302 1
1 298 . 18 1 1 A 25 25 CYS N N 25 111.700 121.329 -9.629 1
1 299 . 18 1 1 A 26 26 GLY H H 26 7.110 7.928 -0.818 1
1 300 . 18 1 1 A 26 26 GLY HA2 H 26 3.820 3.934 -0.114 1
1 301 . 18 1 1 A 26 26 GLY HA3 H 26 4.070 4.053 0.017 1
1 302 . 18 1 1 A 26 26 GLY CA C 26 46.500 46.026 0.474 1
1 303 . 18 1 1 A 26 26 GLY N N 26 103.200 106.600 -3.400 1
1 304 . 18 1 1 A 27 27 LEU H H 27 8.830 8.959 -0.129 1
1 305 . 18 1 1 A 27 27 LEU HA H 27 5.200 5.283 -0.083 1
1 315 . 18 1 1 A 27 27 LEU CA C 27 53.200 53.317 -0.117 1
1 316 . 18 1 1 A 27 27 LEU CB C 27 46.600 45.570 1.030 1
1 320 . 18 1 1 A 27 27 LEU N N 27 116.700 121.891 -5.191 1
1 321 . 18 1 1 A 28 28 LEU H H 28 8.060 8.775 -0.715 1
1 322 . 18 1 1 A 28 28 LEU HA H 28 5.200 5.225 -0.025 1
1 332 . 18 1 1 A 28 28 LEU CA C 28 53.400 52.858 0.542 1
1 333 . 18 1 1 A 28 28 LEU CB C 28 44.900 44.757 0.143 1
1 337 . 18 1 1 A 28 28 LEU N N 28 118.200 121.889 -3.689 1
1 338 . 18 1 1 A 29 29 GLY H H 29 9.210 9.071 0.139 1
1 339 . 18 1 1 A 29 29 GLY HA2 H 29 3.750 4.276 -0.526 1
1 340 . 18 1 1 A 29 29 GLY HA3 H 29 5.800 4.300 1.500 1
1 341 . 18 1 1 A 29 29 GLY CA C 29 43.600 44.460 -0.860 1
1 342 . 18 1 1 A 29 29 GLY N N 29 109.500 112.259 -2.759 1
1 343 . 18 1 1 A 30 30 GLY H H 30 9.520 8.611 0.909 1
1 344 . 18 1 1 A 30 30 GLY HA2 H 30 3.210 3.883 -0.673 1
1 345 . 18 1 1 A 30 30 GLY HA3 H 30 4.800 4.264 0.536 1
1 346 . 18 1 1 A 30 30 GLY CA C 30 47.500 46.116 1.384 1
1 347 . 18 1 1 A 30 30 GLY N N 30 111.700 109.695 2.005 1
1 348 . 18 1 1 A 31 31 ARG H H 31 8.900 8.540 0.360 1
1 349 . 18 1 1 A 31 31 ARG HA H 31 5.170 5.165 0.005 1
1 356 . 18 1 1 A 31 31 ARG CA C 31 54.200 54.855 -0.655 1
1 357 . 18 1 1 A 31 31 ARG CB C 31 34.200 33.575 0.625 1
1 360 . 18 1 1 A 31 31 ARG N N 31 123.000 121.839 1.161 1
1 361 . 18 1 1 A 32 32 ARG H H 32 9.070 9.011 0.059 1
1 362 . 18 1 1 A 32 32 ARG HA H 32 5.140 5.332 -0.192 1
1 369 . 18 1 1 A 32 32 ARG CA C 32 54.700 54.899 -0.199 1
1 370 . 18 1 1 A 32 32 ARG CB C 32 33.700 32.370 1.330 1
1 373 . 18 1 1 A 32 32 ARG N N 32 121.500 121.827 -0.327 1
1 374 . 18 1 1 A 33 33 ASP H H 33 8.640 9.002 -0.362 1
1 375 . 18 1 1 A 33 33 ASP HA H 33 4.850 4.987 -0.137 1
1 378 . 18 1 1 A 33 33 ASP CA C 33 53.400 52.633 0.767 1
1 379 . 18 1 1 A 33 33 ASP CB C 33 42.100 41.748 0.352 1
1 380 . 18 1 1 A 33 33 ASP N N 33 124.200 124.364 -0.164 1
1 381 . 18 1 1 A 34 34 GLY H H 34 9.020 8.417 0.603 1
1 382 . 18 1 1 A 34 34 GLY HA2 H 34 3.670 3.839 -0.169 1
1 383 . 18 1 1 A 34 34 GLY HA3 H 34 4.000 3.854 0.146 1
1 384 . 18 1 1 A 34 34 GLY CA C 34 47.200 46.111 1.089 1
1 385 . 18 1 1 A 34 34 GLY N N 34 115.900 110.309 5.591 1
1 386 . 18 1 1 A 35 35 ASP H H 35 9.070 8.671 0.399 1
1 387 . 18 1 1 A 35 35 ASP HA H 35 4.650 4.526 0.124 1
1 390 . 18 1 1 A 35 35 ASP CA C 35 54.800 55.743 -0.943 1
1 391 . 18 1 1 A 35 35 ASP CB C 35 41.000 40.454 0.546 1
1 392 . 18 1 1 A 35 35 ASP N N 35 127.300 123.340 3.960 1
1 393 . 18 1 1 A 36 36 ASP H H 36 8.070 8.139 -0.069 1
1 394 . 18 1 1 A 36 36 ASP HA H 36 4.950 4.532 0.418 1
1 397 . 18 1 1 A 36 36 ASP CA C 36 53.700 53.293 0.407 1
1 398 . 18 1 1 A 36 36 ASP CB C 36 41.700 41.065 0.635 1
1 399 . 18 1 1 A 36 36 ASP N N 36 120.600 120.760 -0.160 1
1 400 . 18 1 1 A 37 37 ARG H H 37 8.070 8.238 -0.168 1
1 401 . 18 1 1 A 37 37 ARG HA H 37 4.850 4.915 -0.065 1
1 408 . 18 1 1 A 37 37 ARG CA C 37 55.400 54.378 1.022 1
1 409 . 18 1 1 A 37 37 ARG CB C 37 32.900 33.307 -0.407 1
1 412 . 18 1 1 A 37 37 ARG N N 37 120.800 121.364 -0.564 1
1 413 . 18 1 1 A 38 38 TRP H H 38 9.380 9.485 -0.105 1
1 414 . 18 1 1 A 38 38 TRP HA H 38 4.840 5.514 -0.674 1
1 423 . 18 1 1 A 38 38 TRP CA C 38 57.000 55.515 1.485 1
1 424 . 18 1 1 A 38 38 TRP CB C 38 30.100 32.309 -2.209 1
1 430 . 18 1 1 A 38 38 TRP N N 38 124.900 127.298 -2.398 1
1 432 . 18 1 1 A 39 39 VAL H H 39 8.450 9.325 -0.875 1
1 433 . 18 1 1 A 39 39 VAL HA H 39 3.390 4.155 -0.765 1
1 441 . 18 1 1 A 39 39 VAL CA C 39 64.500 63.020 1.480 1
1 442 . 18 1 1 A 39 39 VAL CB C 39 31.500 30.784 0.716 1
1 445 . 18 1 1 A 39 39 VAL N N 39 124.400 124.794 -0.394 1
1 446 . 18 1 1 A 40 40 GLU H H 40 9.080 8.287 0.793 1
1 447 . 18 1 1 A 40 40 GLU HA H 40 4.350 4.542 -0.192 1
1 452 . 18 1 1 A 40 40 GLU CA C 40 54.900 56.352 -1.452 1
1 453 . 18 1 1 A 40 40 GLU CB C 40 29.500 30.433 -0.933 1
1 455 . 18 1 1 A 40 40 GLU N N 40 124.200 126.493 -2.293 1
1 456 . 18 1 1 A 41 41 ARG H H 41 7.610 7.673 -0.063 1
1 457 . 18 1 1 A 41 41 ARG HA H 41 4.070 4.576 -0.506 1
1 464 . 18 1 1 A 41 41 ARG CA C 41 56.800 54.592 2.208 1
1 465 . 18 1 1 A 41 41 ARG CB C 41 33.600 33.102 0.498 1
1 468 . 18 1 1 A 41 41 ARG N N 41 120.000 116.431 3.569 1
1 469 . 18 1 1 A 42 42 VAL H H 42 8.460 8.390 0.070 1
1 470 . 18 1 1 A 42 42 VAL HA H 42 4.300 4.843 -0.543 1
1 478 . 18 1 1 A 42 42 VAL CA C 42 60.900 60.930 -0.030 1
1 479 . 18 1 1 A 42 42 VAL CB C 42 32.900 35.030 -2.130 1
1 482 . 18 1 1 A 42 42 VAL N N 42 125.600 121.085 4.515 1
1 483 . 18 1 1 A 43 43 TYR H H 43 9.070 8.654 0.416 1
1 484 . 18 1 1 A 43 43 TYR HA H 43 4.930 5.350 -0.420 1
1 491 . 18 1 1 A 43 43 TYR CA C 43 54.600 54.848 -0.248 1
1 492 . 18 1 1 A 43 43 TYR CB C 43 38.500 39.029 -0.529 1
1 495 . 18 1 1 A 43 43 TYR N N 43 124.800 125.903 -1.103 1
1 496 . 18 1 1 A 44 44 PRO HA H 44 4.260 4.458 -0.198 1
1 503 . 18 1 1 A 44 44 PRO CA C 44 63.200 62.582 0.618 1
1 504 . 18 1 1 A 44 44 PRO CB C 44 30.100 31.032 -0.932 1
1 507 . 18 1 1 A 45 45 LEU H H 45 8.270 8.207 0.063 1
1 508 . 18 1 1 A 45 45 LEU HA H 45 4.930 4.442 0.488 1
1 518 . 18 1 1 A 45 45 LEU CA C 45 53.800 54.005 -0.205 1
1 519 . 18 1 1 A 45 45 LEU CB C 45 45.600 43.956 1.644 1
1 523 . 18 1 1 A 45 45 LEU N N 45 125.800 123.633 2.167 1
1 524 . 18 1 1 A 46 46 ASN H H 46 9.120 8.504 0.616 1
1 525 . 18 1 1 A 46 46 ASN HA H 46 4.630 5.083 -0.453 1
1 530 . 18 1 1 A 46 46 ASN CA C 46 56.000 53.412 2.588 1
1 531 . 18 1 1 A 46 46 ASN CB C 46 39.000 40.027 -1.027 1
1 532 . 18 1 1 A 46 46 ASN N N 46 119.000 121.529 -2.529 1
1 534 . 18 1 1 A 47 47 ASN H H 47 8.460 9.011 -0.551 1
1 535 . 18 1 1 A 47 47 ASN HA H 47 5.260 4.808 0.452 1
1 540 . 18 1 1 A 47 47 ASN CA C 47 51.200 52.706 -1.506 1
1 541 . 18 1 1 A 47 47 ASN CB C 47 37.700 38.159 -0.459 1
1 542 . 18 1 1 A 47 47 ASN N N 47 118.500 122.166 -3.666 1
1 544 . 18 1 1 A 48 48 LEU H H 48 8.890 8.018 0.872 1
1 545 . 18 1 1 A 48 48 LEU HA H 48 4.070 4.085 -0.015 1
1 555 . 18 1 1 A 48 48 LEU CA C 48 56.800 57.417 -0.617 1
1 556 . 18 1 1 A 48 48 LEU CB C 48 41.600 41.759 -0.159 1
1 560 . 18 1 1 A 48 48 LEU N N 48 127.100 127.041 0.059 1
1 561 . 18 1 1 A 49 49 ASP H H 49 7.820 8.176 -0.356 1
1 562 . 18 1 1 A 49 49 ASP HA H 49 4.430 4.926 -0.496 1
1 565 . 18 1 1 A 49 49 ASP CA C 49 54.500 53.521 0.979 1
1 566 . 18 1 1 A 49 49 ASP CB C 49 40.100 41.820 -1.720 1
1 567 . 18 1 1 A 49 49 ASP N N 49 115.700 118.785 -3.085 1
1 568 . 18 1 1 A 50 50 GLN H H 50 7.770 8.597 -0.827 1
1 569 . 18 1 1 A 50 50 GLN HA H 50 3.880 4.252 -0.372 1
1 576 . 18 1 1 A 50 50 GLN CA C 50 56.000 56.203 -0.203 1
1 577 . 18 1 1 A 50 50 GLN CB C 50 27.400 28.079 -0.679 1
1 579 . 18 1 1 A 50 50 GLN N N 50 115.300 121.459 -6.159 1
1 581 . 18 1 1 A 51 51 SER H H 51 6.370 7.699 -1.329 1
1 582 . 18 1 1 A 51 51 SER HA H 51 5.210 4.933 0.277 1
1 585 . 18 1 1 A 51 51 SER CA C 51 53.700 55.789 -2.089 1
1 586 . 18 1 1 A 51 51 SER CB C 51 66.100 66.080 0.020 1
1 587 . 18 1 1 A 51 51 SER N N 51 109.000 115.161 -6.161 1
1 588 . 18 1 1 A 52 52 PRO HA H 52 4.830 4.556 0.274 1
1 595 . 18 1 1 A 52 52 PRO CA C 52 64.000 64.044 -0.044 1
1 596 . 18 1 1 A 52 52 PRO CB C 52 33.300 32.261 1.039 1
1 599 . 18 1 1 A 53 53 GLU H H 53 8.320 8.435 -0.115 1
1 600 . 18 1 1 A 53 53 GLU HA H 53 4.510 4.331 0.179 1
1 605 . 18 1 1 A 53 53 GLU CA C 53 55.700 57.485 -1.785 1
1 606 . 18 1 1 A 53 53 GLU CB C 53 32.400 30.770 1.630 1
1 608 . 18 1 1 A 53 53 GLU N N 53 113.900 117.256 -3.356 1
1 609 . 18 1 1 A 54 54 HIS H H 54 7.070 7.411 -0.341 1
1 610 . 18 1 1 A 54 54 HIS HA H 54 4.750 5.346 -0.596 1
1 614 . 18 1 1 A 54 54 HIS CA C 54 54.100 54.007 0.093 1
1 615 . 18 1 1 A 54 54 HIS CB C 54 31.100 33.166 -2.066 1
1 617 . 18 1 1 A 54 54 HIS N N 54 112.500 117.091 -4.591 1
1 618 . 18 1 1 A 55 55 PHE H H 55 7.900 9.040 -1.140 1
1 619 . 18 1 1 A 55 55 PHE HA H 55 5.580 5.244 0.336 1
1 627 . 18 1 1 A 55 55 PHE CA C 55 55.400 55.836 -0.436 1
1 628 . 18 1 1 A 55 55 PHE CB C 55 41.200 42.195 -0.995 1
1 632 . 18 1 1 A 55 55 PHE N N 55 114.900 123.087 -8.187 1
1 633 . 18 1 1 A 56 56 SER H H 56 7.690 8.606 -0.916 1
1 634 . 18 1 1 A 56 56 SER HA H 56 4.300 4.845 -0.545 1
1 637 . 18 1 1 A 56 56 SER CA C 56 57.800 57.315 0.485 1
1 638 . 18 1 1 A 56 56 SER CB C 56 65.300 65.555 -0.255 1
1 639 . 18 1 1 A 56 56 SER N N 56 112.900 123.388 -10.488 1
1 640 . 18 1 1 A 57 57 MET H H 57 8.750 8.776 -0.026 1
1 641 . 18 1 1 A 57 57 MET HA H 57 4.860 5.154 -0.294 1
1 649 . 18 1 1 A 57 57 MET CA C 57 54.400 53.906 0.494 1
1 650 . 18 1 1 A 57 57 MET CB C 57 36.000 35.244 0.756 1
1 653 . 18 1 1 A 57 57 MET N N 57 120.000 124.238 -4.238 1
1 654 . 18 1 1 A 58 58 ASP H H 58 10.180 8.453 1.727 1
1 655 . 18 1 1 A 58 58 ASP HA H 58 4.740 4.757 -0.017 1
1 658 . 18 1 1 A 58 58 ASP CA C 58 51.700 51.901 -0.201 1
1 659 . 18 1 1 A 58 58 ASP CB C 58 42.700 42.018 0.682 1
1 660 . 18 1 1 A 58 58 ASP N N 58 126.600 123.450 3.150 1
1 661 . 18 1 1 A 59 59 PRO HA H 59 4.400 4.258 0.142 1
1 668 . 18 1 1 A 59 59 PRO CA C 59 65.300 65.279 0.021 1
1 669 . 18 1 1 A 59 59 PRO CB C 59 32.300 31.788 0.512 1
1 672 . 18 1 1 A 60 60 ARG H H 60 8.520 8.998 -0.478 1
1 673 . 18 1 1 A 60 60 ARG HA H 60 4.120 4.037 0.083 1
1 680 . 18 1 1 A 60 60 ARG CA C 60 59.200 58.944 0.256 1
1 681 . 18 1 1 A 60 60 ARG CB C 60 29.500 29.652 -0.152 1
1 684 . 18 1 1 A 60 60 ARG N N 60 118.700 116.554 2.146 1
1 685 . 18 1 1 A 61 61 GLU H H 61 7.730 8.207 -0.477 1
1 686 . 18 1 1 A 61 61 GLU HA H 61 4.190 4.139 0.051 1
1 691 . 18 1 1 A 61 61 GLU CA C 61 59.000 58.993 0.007 1
1 692 . 18 1 1 A 61 61 GLU CB C 61 30.200 29.254 0.946 1
1 694 . 18 1 1 A 61 61 GLU N N 61 119.800 119.107 0.693 1
1 695 . 18 1 1 A 62 62 GLN H H 62 8.220 7.935 0.285 1
1 696 . 18 1 1 A 62 62 GLN HA H 62 3.830 3.968 -0.138 1
1 703 . 18 1 1 A 62 62 GLN CA C 62 59.900 58.701 1.199 1
1 704 . 18 1 1 A 62 62 GLN CB C 62 29.000 28.481 0.519 1
1 706 . 18 1 1 A 62 62 GLN N N 62 118.700 119.694 -0.994 1
1 708 . 18 1 1 A 63 63 LEU H H 63 7.950 8.032 -0.082 1
1 709 . 18 1 1 A 63 63 LEU HA H 63 4.110 4.009 0.101 1
1 719 . 18 1 1 A 63 63 LEU CA C 63 58.000 58.207 -0.207 1
1 720 . 18 1 1 A 63 63 LEU CB C 63 41.400 41.522 -0.122 1
1 724 . 18 1 1 A 63 63 LEU N N 63 119.200 122.268 -3.068 1
1 725 . 18 1 1 A 64 64 THR H H 64 7.910 7.852 0.058 1
1 726 . 18 1 1 A 64 64 THR HA H 64 3.790 3.880 -0.090 1
1 731 . 18 1 1 A 64 64 THR CA C 64 66.800 66.248 0.552 1
1 732 . 18 1 1 A 64 64 THR CB C 64 68.700 68.346 0.354 1
1 734 . 18 1 1 A 64 64 THR N N 64 116.000 114.555 1.445 1
1 735 . 18 1 1 A 65 65 ALA H H 65 7.520 7.328 0.192 1
1 736 . 18 1 1 A 65 65 ALA HA H 65 3.970 3.632 0.338 1
1 740 . 18 1 1 A 65 65 ALA CA C 65 55.100 54.695 0.405 1
1 741 . 18 1 1 A 65 65 ALA CB C 65 17.900 17.656 0.244 1
1 742 . 18 1 1 A 65 65 ALA N N 65 125.200 123.262 1.938 1
1 743 . 18 1 1 A 66 66 VAL H H 66 8.420 7.826 0.594 1
1 744 . 18 1 1 A 66 66 VAL HA H 66 3.840 3.390 0.450 1
1 752 . 18 1 1 A 66 66 VAL CA C 66 66.200 67.021 -0.821 1
1 753 . 18 1 1 A 66 66 VAL CB C 66 31.700 31.478 0.222 1
1 756 . 18 1 1 A 66 66 VAL N N 66 119.300 118.806 0.494 1
1 757 . 18 1 1 A 67 67 LYS H H 67 8.570 8.037 0.533 1
1 758 . 18 1 1 A 67 67 LYS HA H 67 3.960 3.907 0.053 1
1 767 . 18 1 1 A 67 67 LYS CA C 67 60.300 60.288 0.012 1
1 768 . 18 1 1 A 67 67 LYS CB C 67 32.200 32.069 0.131 1
1 772 . 18 1 1 A 67 67 LYS N N 67 120.600 119.368 1.232 1
1 773 . 18 1 1 A 68 68 ASP H H 68 7.660 7.814 -0.154 1
1 774 . 18 1 1 A 68 68 ASP HA H 68 4.290 4.440 -0.150 1
1 777 . 18 1 1 A 68 68 ASP CA C 68 58.300 57.556 0.744 1
1 778 . 18 1 1 A 68 68 ASP CB C 68 42.700 40.958 1.742 1
1 779 . 18 1 1 A 68 68 ASP N N 68 121.500 119.549 1.951 1
1 780 . 18 1 1 A 69 69 MET H H 69 8.620 8.110 0.510 1
1 781 . 18 1 1 A 69 69 MET HA H 69 4.250 4.277 -0.027 1
1 789 . 18 1 1 A 69 69 MET CA C 69 60.300 58.659 1.641 1
1 790 . 18 1 1 A 69 69 MET CB C 69 32.700 32.021 0.679 1
1 793 . 18 1 1 A 69 69 MET N N 69 120.100 119.323 0.777 1
1 794 . 18 1 1 A 70 70 ARG H H 70 8.500 8.602 -0.102 1
1 795 . 18 1 1 A 70 70 ARG HA H 70 4.110 4.105 0.005 1
1 802 . 18 1 1 A 70 70 ARG CA C 70 59.200 58.737 0.463 1
1 803 . 18 1 1 A 70 70 ARG CB C 70 29.600 29.712 -0.112 1
1 806 . 18 1 1 A 70 70 ARG N N 70 119.000 118.117 0.883 1
1 807 . 18 1 1 A 71 71 LYS H H 71 8.020 7.774 0.246 1
1 808 . 18 1 1 A 71 71 LYS HA H 71 3.970 4.019 -0.049 1
1 817 . 18 1 1 A 71 71 LYS CA C 71 58.800 59.303 -0.503 1
1 818 . 18 1 1 A 71 71 LYS CB C 71 32.000 32.217 -0.217 1
1 822 . 18 1 1 A 71 71 LYS N N 71 121.100 119.766 1.334 1
1 823 . 18 1 1 A 72 72 ASN H H 72 6.960 8.176 -1.216 1
1 824 . 18 1 1 A 72 72 ASN HA H 72 4.090 4.637 -0.547 1
1 829 . 18 1 1 A 72 72 ASN CA C 72 53.300 52.916 0.384 1
1 830 . 18 1 1 A 72 72 ASN CB C 72 39.000 38.990 0.010 1
1 831 . 18 1 1 A 72 72 ASN N N 72 114.600 114.128 0.472 1
1 833 . 18 1 1 A 73 73 GLY H H 73 7.560 7.899 -0.339 1
1 834 . 18 1 1 A 73 73 GLY HA2 H 73 3.890 3.813 0.077 1
1 835 . 18 1 1 A 73 73 GLY HA3 H 73 3.760 3.911 -0.151 1
1 836 . 18 1 1 A 73 73 GLY CA C 73 45.900 46.080 -0.180 1
1 837 . 18 1 1 A 73 73 GLY N N 73 106.700 107.791 -1.091 1
1 838 . 18 1 1 A 74 74 TRP H H 74 8.240 7.618 0.622 1
1 839 . 18 1 1 A 74 74 TRP HA H 74 5.260 4.869 0.391 1
1 848 . 18 1 1 A 74 74 TRP CA C 74 53.100 57.185 -4.085 1
1 849 . 18 1 1 A 74 74 TRP CB C 74 31.400 32.120 -0.720 1
1 855 . 18 1 1 A 74 74 TRP N N 74 120.700 119.782 0.918 1
1 857 . 18 1 1 A 75 75 VAL H H 75 9.410 8.994 0.416 1
1 858 . 18 1 1 A 75 75 VAL HA H 75 4.800 4.946 -0.146 1
1 866 . 18 1 1 A 75 75 VAL CA C 75 58.500 59.072 -0.572 1
1 867 . 18 1 1 A 75 75 VAL CB C 75 35.500 35.664 -0.164 1
1 870 . 18 1 1 A 75 75 VAL N N 75 112.100 115.532 -3.432 1
1 871 . 18 1 1 A 76 76 MET H H 76 8.800 8.769 0.031 1
1 872 . 18 1 1 A 76 76 MET HA H 76 4.650 4.676 -0.026 1
1 880 . 18 1 1 A 76 76 MET CA C 76 56.900 55.642 1.258 1
1 881 . 18 1 1 A 76 76 MET CB C 76 32.600 33.080 -0.480 1
1 884 . 18 1 1 A 76 76 MET N N 76 122.400 122.945 -0.545 1
1 885 . 18 1 1 A 77 77 LEU H H 77 8.780 9.484 -0.704 1
1 886 . 18 1 1 A 77 77 LEU HA H 77 4.480 4.638 -0.158 1
1 896 . 18 1 1 A 77 77 LEU CA C 77 54.100 54.736 -0.636 1
1 897 . 18 1 1 A 77 77 LEU CB C 77 44.700 42.333 2.367 1
1 901 . 18 1 1 A 77 77 LEU N N 77 125.600 127.758 -2.158 1
1 902 . 18 1 1 A 78 78 GLY H H 78 7.590 7.390 0.200 1
1 903 . 18 1 1 A 78 78 GLY HA2 H 78 5.150 3.942 1.208 1
1 904 . 18 1 1 A 78 78 GLY HA3 H 78 3.660 3.978 -0.318 1
1 905 . 18 1 1 A 78 78 GLY CA C 78 45.700 43.903 1.797 1
1 906 . 18 1 1 A 78 78 GLY N N 78 102.900 106.285 -3.385 1
1 907 . 18 1 1 A 79 79 ASN H H 79 8.520 8.303 0.217 1
1 908 . 18 1 1 A 79 79 ASN HA H 79 5.230 5.629 -0.399 1
1 913 . 18 1 1 A 79 79 ASN CA C 79 51.100 51.551 -0.451 1
1 914 . 18 1 1 A 79 79 ASN CB C 79 41.500 42.865 -1.365 1
1 915 . 18 1 1 A 79 79 ASN N N 79 115.600 116.481 -0.881 1
1 917 . 18 1 1 A 80 80 PHE H H 80 8.410 8.595 -0.185 1
1 918 . 18 1 1 A 80 80 PHE HA H 80 6.120 6.152 -0.032 1
1 926 . 18 1 1 A 80 80 PHE CA C 80 54.500 55.285 -0.785 1
1 927 . 18 1 1 A 80 80 PHE CB C 80 44.800 42.711 2.089 1
1 931 . 18 1 1 A 80 80 PHE N N 80 113.100 116.527 -3.427 1
1 932 . 18 1 1 A 81 81 HIS H H 81 8.310 9.549 -1.239 1
1 933 . 18 1 1 A 81 81 HIS HA H 81 5.300 5.324 -0.024 1
1 938 . 18 1 1 A 81 81 HIS CA C 81 54.400 54.222 0.178 1
1 939 . 18 1 1 A 81 81 HIS CB C 81 30.300 33.148 -2.848 1
1 942 . 18 1 1 A 81 81 HIS N N 81 111.600 118.877 -7.277 1
1 943 . 18 1 1 A 82 82 SER H H 82 8.390 8.429 -0.039 1
1 944 . 18 1 1 A 82 82 SER HA H 82 5.510 5.450 0.060 1
1 947 . 18 1 1 A 82 82 SER CA C 82 54.800 57.416 -2.616 1
1 948 . 18 1 1 A 82 82 SER CB C 82 66.700 65.757 0.943 1
1 949 . 18 1 1 A 82 82 SER N N 82 112.700 117.885 -5.185 1
1 950 . 18 1 1 A 83 83 HIS H H 83 8.890 9.276 -0.386 1
1 951 . 18 1 1 A 83 83 HIS HA H 83 5.480 4.938 0.542 1
1 956 . 18 1 1 A 83 83 HIS CA C 83 49.900 54.027 -4.127 1
1 957 . 18 1 1 A 83 83 HIS CB C 83 32.000 31.336 0.664 1
1 960 . 18 1 1 A 83 83 HIS N N 83 115.200 123.238 -8.038 1
1 961 . 18 1 1 A 84 84 PRO HA H 84 3.940 4.457 -0.517 1
1 968 . 18 1 1 A 84 84 PRO CA C 84 65.600 65.097 0.503 1
1 969 . 18 1 1 A 84 84 PRO CB C 84 33.300 32.133 1.167 1
1 972 . 18 1 1 A 85 85 ALA H H 85 8.410 8.327 0.083 1
1 973 . 18 1 1 A 85 85 ALA HA H 85 4.670 4.582 0.088 1
1 977 . 18 1 1 A 85 85 ALA CA C 85 51.300 51.409 -0.109 1
1 978 . 18 1 1 A 85 85 ALA CB C 85 21.200 19.758 1.442 1
1 979 . 18 1 1 A 85 85 ALA N N 85 112.800 118.656 -5.856 1
1 980 . 18 1 1 A 86 86 THR H H 86 7.070 7.528 -0.458 1
1 981 . 18 1 1 A 86 86 THR HA H 86 4.960 5.059 -0.099 1
1 986 . 18 1 1 A 86 86 THR CA C 86 58.600 58.485 0.115 1
1 987 . 18 1 1 A 86 86 THR CB C 86 69.500 70.364 -0.864 1
1 989 . 18 1 1 A 86 86 THR N N 86 109.200 108.909 0.291 1
1 990 . 18 1 1 A 87 87 PRO HA H 87 4.630 4.783 -0.153 1
1 997 . 18 1 1 A 87 87 PRO CA C 87 62.700 62.417 0.283 1
1 998 . 18 1 1 A 87 87 PRO CB C 87 33.500 32.923 0.577 1
1 1001 . 18 1 1 A 88 88 ALA H H 88 9.760 8.410 1.350 1
1 1002 . 18 1 1 A 88 88 ALA HA H 88 3.960 4.561 -0.601 1
1 1006 . 18 1 1 A 88 88 ALA CA C 88 51.700 51.567 0.133 1
1 1007 . 18 1 1 A 88 88 ALA CB C 88 16.300 18.547 -2.247 1
1 1008 . 18 1 1 A 88 88 ALA N N 88 127.600 123.646 3.954 1
1 1009 . 18 1 1 A 89 89 ARG H H 89 7.570 7.857 -0.287 1
1 1010 . 18 1 1 A 89 89 ARG HA H 89 4.280 4.022 0.258 1
1 1017 . 18 1 1 A 89 89 ARG CA C 89 53.200 53.325 -0.125 1
1 1018 . 18 1 1 A 89 89 ARG CB C 89 31.300 33.376 -2.076 1
1 1021 . 18 1 1 A 89 89 ARG N N 89 118.300 122.285 -3.985 1
1 1022 . 18 1 1 A 90 90 PRO HA H 90 4.510 4.444 0.066 1
1 1029 . 18 1 1 A 90 90 PRO CA C 90 62.900 62.665 0.235 1
1 1030 . 18 1 1 A 90 90 PRO CB C 90 31.300 31.474 -0.174 1
1 1033 . 18 1 1 A 91 91 SER H H 91 9.630 8.161 1.469 1
1 1034 . 18 1 1 A 91 91 SER HA H 91 4.600 4.537 0.063 1
1 1037 . 18 1 1 A 91 91 SER CA C 91 56.500 58.465 -1.965 1
1 1038 . 18 1 1 A 91 91 SER CB C 91 66.000 64.353 1.647 1
1 1039 . 18 1 1 A 91 91 SER N N 91 122.500 118.329 4.171 1
1 1040 . 18 1 1 A 92 92 ALA H H 92 8.910 8.945 -0.035 1
1 1041 . 18 1 1 A 92 92 ALA HA H 92 3.980 3.932 0.048 1
1 1045 . 18 1 1 A 92 92 ALA CA C 92 55.900 55.386 0.514 1
1 1046 . 18 1 1 A 92 92 ALA CB C 92 17.800 18.119 -0.319 1
1 1047 . 18 1 1 A 92 92 ALA N N 92 123.000 125.190 -2.190 1
1 1048 . 18 1 1 A 93 93 GLU H H 93 8.370 7.990 0.380 1
1 1049 . 18 1 1 A 93 93 GLU HA H 93 4.070 3.950 0.120 1
1 1054 . 18 1 1 A 93 93 GLU CA C 93 58.900 60.057 -1.157 1
1 1055 . 18 1 1 A 93 93 GLU CB C 93 28.800 29.500 -0.700 1
1 1057 . 18 1 1 A 93 93 GLU N N 93 118.800 117.734 1.066 1
1 1058 . 18 1 1 A 94 94 ASP H H 94 7.770 8.264 -0.494 1
1 1059 . 18 1 1 A 94 94 ASP HA H 94 4.260 4.375 -0.115 1
1 1062 . 18 1 1 A 94 94 ASP CA C 94 57.100 56.594 0.506 1
1 1063 . 18 1 1 A 94 94 ASP CB C 94 40.200 40.133 0.067 1
1 1064 . 18 1 1 A 94 94 ASP N N 94 119.200 120.388 -1.188 1
1 1065 . 18 1 1 A 95 95 LYS H H 95 7.830 8.136 -0.306 1
1 1066 . 18 1 1 A 95 95 LYS HA H 95 3.720 3.827 -0.107 1
1 1075 . 18 1 1 A 95 95 LYS CA C 95 59.500 59.206 0.294 1
1 1076 . 18 1 1 A 95 95 LYS CB C 95 31.900 32.058 -0.158 1
1 1080 . 18 1 1 A 95 95 LYS N N 95 116.400 120.873 -4.473 1
1 1081 . 18 1 1 A 96 96 ARG H H 96 7.570 7.508 0.062 1
1 1082 . 18 1 1 A 96 96 ARG HA H 96 3.940 4.048 -0.108 1
1 1089 . 18 1 1 A 96 96 ARG CA C 96 58.500 58.145 0.355 1
1 1090 . 18 1 1 A 96 96 ARG CB C 96 30.100 30.409 -0.309 1
1 1093 . 18 1 1 A 96 96 ARG N N 96 119.400 118.604 0.796 1
1 1094 . 18 1 1 A 97 97 LEU H H 97 7.270 7.200 0.070 1
1 1095 . 18 1 1 A 97 97 LEU HA H 97 4.030 3.999 0.031 1
1 1105 . 18 1 1 A 97 97 LEU CA C 97 54.400 53.632 0.768 1
1 1106 . 18 1 1 A 97 97 LEU CB C 97 41.600 40.908 0.692 1
1 1110 . 18 1 1 A 97 97 LEU N N 97 116.100 116.605 -0.505 1
1 1111 . 18 1 1 A 98 98 ALA H H 98 6.950 6.738 0.212 1
1 1112 . 18 1 1 A 98 98 ALA HA H 98 4.230 3.866 0.364 1
1 1116 . 18 1 1 A 98 98 ALA CA C 98 50.800 50.597 0.203 1
1 1117 . 18 1 1 A 98 98 ALA CB C 98 16.700 18.731 -2.031 1
1 1118 . 18 1 1 A 98 98 ALA N N 98 124.800 123.744 1.056 1
1 1119 . 18 1 1 A 99 99 PHE H H 99 7.630 8.819 -1.189 1
1 1120 . 18 1 1 A 99 99 PHE HA H 99 4.490 4.715 -0.225 1
1 1128 . 18 1 1 A 99 99 PHE CA C 99 58.200 58.947 -0.747 1
1 1129 . 18 1 1 A 99 99 PHE CB C 99 39.500 40.389 -0.889 1
1 1133 . 18 1 1 A 99 99 PHE N N 99 120.400 122.592 -2.192 1
1 1134 . 18 1 1 A 100 100 ASP H H 100 7.320 8.124 -0.804 1
1 1135 . 18 1 1 A 100 100 ASP HA H 100 5.240 5.199 0.041 1
1 1138 . 18 1 1 A 100 100 ASP CA C 100 49.900 51.442 -1.542 1
1 1139 . 18 1 1 A 100 100 ASP CB C 100 42.200 41.350 0.850 1
1 1140 . 18 1 1 A 100 100 ASP N N 100 118.200 119.139 -0.939 1
1 1141 . 18 1 1 A 101 101 PRO HA H 101 5.040 4.794 0.246 1
1 1148 . 18 1 1 A 101 101 PRO CA C 101 64.200 64.365 -0.165 1
1 1149 . 18 1 1 A 101 101 PRO CB C 101 32.800 31.911 0.889 1
1 1152 . 18 1 1 A 102 102 SER H H 102 8.950 8.199 0.751 1
1 1153 . 18 1 1 A 102 102 SER HA H 102 4.530 4.580 -0.050 1
1 1156 . 18 1 1 A 102 102 SER CA C 102 59.300 59.278 0.022 1
1 1157 . 18 1 1 A 102 102 SER CB C 102 64.500 63.826 0.674 1
1 1158 . 18 1 1 A 102 102 SER N N 102 117.700 112.358 5.342 1
1 1159 . 18 1 1 A 103 103 LEU H H 103 6.850 7.645 -0.795 1
1 1160 . 18 1 1 A 103 103 LEU HA H 103 4.200 4.773 -0.573 1
1 1170 . 18 1 1 A 103 103 LEU CA C 103 53.700 53.419 0.281 1
1 1171 . 18 1 1 A 103 103 LEU CB C 103 41.800 43.241 -1.441 1
1 1175 . 18 1 1 A 103 103 LEU N N 103 121.100 123.581 -2.481 1
1 1176 . 18 1 1 A 104 104 SER H H 104 8.080 8.636 -0.556 1
1 1177 . 18 1 1 A 104 104 SER HA H 104 4.310 5.182 -0.872 1
1 1180 . 18 1 1 A 104 104 SER CA C 104 60.300 57.188 3.112 1
1 1181 . 18 1 1 A 104 104 SER CB C 104 63.300 65.276 -1.976 1
1 1182 . 18 1 1 A 104 104 SER N N 104 116.100 116.802 -0.702 1
1 1183 . 18 1 1 A 105 105 TYR H H 105 8.790 9.452 -0.662 1
1 1184 . 18 1 1 A 105 105 TYR HA H 105 4.750 5.328 -0.578 1
1 1191 . 18 1 1 A 105 105 TYR CA C 105 57.100 56.781 0.319 1
1 1192 . 18 1 1 A 105 105 TYR CB C 105 37.700 39.209 -1.509 1
1 1195 . 18 1 1 A 105 105 TYR N N 105 122.700 124.933 -2.233 1
1 1196 . 18 1 1 A 106 106 LEU H H 106 8.750 8.714 0.036 1
1 1197 . 18 1 1 A 106 106 LEU HA H 106 5.290 4.922 0.368 1
1 1207 . 18 1 1 A 106 106 LEU CA C 106 56.000 54.299 1.701 1
1 1208 . 18 1 1 A 106 106 LEU CB C 106 43.400 43.058 0.342 1
1 1212 . 18 1 1 A 106 106 LEU N N 106 125.200 125.222 -0.022 1
1 1213 . 18 1 1 A 107 107 ILE H H 107 9.480 8.878 0.602 1
1 1214 . 18 1 1 A 107 107 ILE HA H 107 4.630 5.420 -0.790 1
1 1224 . 18 1 1 A 107 107 ILE CA C 107 59.700 59.886 -0.186 1
1 1225 . 18 1 1 A 107 107 ILE CB C 107 40.500 40.953 -0.453 1
1 1229 . 18 1 1 A 107 107 ILE N N 107 123.800 123.309 0.491 1
1 1230 . 18 1 1 A 108 108 ILE H H 108 7.820 9.619 -1.799 1
1 1231 . 18 1 1 A 108 108 ILE HA H 108 4.950 5.399 -0.449 1
1 1241 . 18 1 1 A 108 108 ILE CA C 108 58.600 60.024 -1.424 1
1 1242 . 18 1 1 A 108 108 ILE CB C 108 41.700 39.046 2.654 1
1 1246 . 18 1 1 A 108 108 ILE N N 108 125.200 129.756 -4.556 1
1 1247 . 18 1 1 A 109 109 SER H H 109 9.780 8.957 0.823 1
1 1248 . 18 1 1 A 109 109 SER HA H 109 5.430 4.876 0.554 1
1 1251 . 18 1 1 A 109 109 SER CA C 109 56.400 56.263 0.137 1
1 1252 . 18 1 1 A 109 109 SER CB C 109 64.900 64.396 0.504 1
1 1253 . 18 1 1 A 109 109 SER N N 109 120.300 121.978 -1.678 1
1 1254 . 18 1 1 A 110 110 LEU H H 110 8.110 8.878 -0.768 1
1 1255 . 18 1 1 A 110 110 LEU HA H 110 4.630 4.651 -0.021 1
1 1265 . 18 1 1 A 110 110 LEU CA C 110 53.300 54.439 -1.139 1
1 1266 . 18 1 1 A 110 110 LEU CB C 110 41.100 41.327 -0.227 1
1 1270 . 18 1 1 A 110 110 LEU N N 110 130.700 129.193 1.507 1
1 1271 . 18 1 1 A 111 111 ALA H H 111 7.390 7.782 -0.392 1
1 1272 . 18 1 1 A 111 111 ALA HA H 111 3.920 4.216 -0.296 1
1 1276 . 18 1 1 A 111 111 ALA CA C 111 55.200 54.389 0.811 1
1 1277 . 18 1 1 A 111 111 ALA CB C 111 17.900 18.508 -0.608 1
1 1278 . 18 1 1 A 111 111 ALA N N 111 121.000 123.034 -2.034 1
1 1279 . 18 1 1 A 112 112 GLU H H 112 8.290 7.854 0.436 1
1 1280 . 18 1 1 A 112 112 GLU HA H 112 4.830 4.702 0.128 1
1 1285 . 18 1 1 A 112 112 GLU CA C 112 52.600 53.161 -0.561 1
1 1286 . 18 1 1 A 112 112 GLU CB C 112 29.300 30.435 -1.135 1
1 1288 . 18 1 1 A 112 112 GLU N N 112 116.400 117.743 -1.343 1
1 1289 . 18 1 1 A 113 113 PRO HA H 113 3.940 4.438 -0.498 1
1 1296 . 18 1 1 A 113 113 PRO CA C 113 65.600 64.409 1.191 1
1 1297 . 18 1 1 A 113 113 PRO CB C 113 31.900 32.132 -0.232 1
1 1300 . 18 1 1 A 114 114 GLN H H 114 8.610 8.545 0.065 1
1 1301 . 18 1 1 A 114 114 GLN HA H 114 4.250 4.229 0.021 1
1 1308 . 18 1 1 A 114 114 GLN CA C 114 56.100 57.063 -0.963 1
1 1309 . 18 1 1 A 114 114 GLN CB C 114 28.300 29.605 -1.305 1
1 1311 . 18 1 1 A 114 114 GLN N N 114 113.500 116.629 -3.129 1
1 1313 . 18 1 1 A 115 115 LYS H H 115 8.040 7.935 0.105 1
1 1314 . 18 1 1 A 115 115 LYS HA H 115 4.620 4.748 -0.128 1
1 1323 . 18 1 1 A 115 115 LYS CA C 115 53.500 53.708 -0.208 1
1 1324 . 18 1 1 A 115 115 LYS CB C 115 33.400 33.224 0.176 1
1 1328 . 18 1 1 A 115 115 LYS N N 115 121.000 119.170 1.830 1
1 1329 . 18 1 1 A 116 116 PRO HA H 116 4.560 4.798 -0.238 1
1 1336 . 18 1 1 A 116 116 PRO CA C 116 62.900 62.787 0.113 1
1 1337 . 18 1 1 A 116 116 PRO CB C 116 32.500 32.378 0.122 1
1 1340 . 18 1 1 A 117 117 VAL H H 117 7.850 8.248 -0.398 1
1 1341 . 18 1 1 A 117 117 VAL HA H 117 4.360 4.309 0.051 1
1 1349 . 18 1 1 A 117 117 VAL CA C 117 61.200 61.842 -0.642 1
1 1350 . 18 1 1 A 117 117 VAL CB C 117 35.900 31.676 4.224 1
1 1353 . 18 1 1 A 117 117 VAL N N 117 120.600 123.012 -2.412 1
1 1354 . 18 1 1 A 118 118 CYS H H 118 8.820 8.933 -0.113 1
1 1355 . 18 1 1 A 118 118 CYS HA H 118 5.340 5.440 -0.100 1
1 1358 . 18 1 1 A 118 118 CYS CA C 118 56.400 57.113 -0.713 1
1 1359 . 18 1 1 A 118 118 CYS CB C 118 28.700 29.342 -0.642 1
1 1360 . 18 1 1 A 118 118 CYS N N 118 127.100 126.806 0.294 1
1 1361 . 18 1 1 A 119 119 LYS H H 119 8.530 8.277 0.253 1
1 1362 . 18 1 1 A 119 119 LYS HA H 119 4.590 4.768 -0.178 1
1 1371 . 18 1 1 A 119 119 LYS CA C 119 54.900 54.606 0.294 1
1 1372 . 18 1 1 A 119 119 LYS CB C 119 39.600 36.627 2.973 1
1 1376 . 18 1 1 A 119 119 LYS N N 119 126.400 125.542 0.858 1
1 1377 . 18 1 1 A 120 120 SER H H 120 8.220 8.167 0.053 1
1 1378 . 18 1 1 A 120 120 SER HA H 120 4.870 4.973 -0.103 1
1 1381 . 18 1 1 A 120 120 SER CA C 120 56.300 56.915 -0.615 1
1 1382 . 18 1 1 A 120 120 SER CB C 120 63.300 63.972 -0.672 1
1 1383 . 18 1 1 A 120 120 SER N N 120 114.500 117.028 -2.528 1
1 1384 . 18 1 1 A 121 121 PHE H H 121 8.450 9.176 -0.726 1
1 1385 . 18 1 1 A 121 121 PHE HA H 121 5.160 5.082 0.078 1
1 1393 . 18 1 1 A 121 121 PHE CA C 121 57.200 56.273 0.927 1
1 1394 . 18 1 1 A 121 121 PHE CB C 121 42.700 42.058 0.642 1
1 1398 . 18 1 1 A 121 121 PHE N N 121 124.400 125.243 -0.843 1
1 1399 . 18 1 1 A 122 122 LEU H H 122 9.070 9.675 -0.605 1
1 1400 . 18 1 1 A 122 122 LEU HA H 122 5.270 4.954 0.316 1
1 1410 . 18 1 1 A 122 122 LEU CA C 122 53.300 53.749 -0.449 1
1 1411 . 18 1 1 A 122 122 LEU CB C 122 42.200 42.151 0.049 1
1 1415 . 18 1 1 A 122 122 LEU N N 122 120.900 124.197 -3.297 1
1 1416 . 18 1 1 A 123 123 ILE H H 123 9.730 9.016 0.714 1
1 1417 . 18 1 1 A 123 123 ILE HA H 123 4.290 4.553 -0.263 1
1 1427 . 18 1 1 A 123 123 ILE CA C 123 61.400 60.802 0.598 1
1 1428 . 18 1 1 A 123 123 ILE CB C 123 38.000 37.581 0.419 1
1 1432 . 18 1 1 A 123 123 ILE N N 123 125.900 125.714 0.186 1
1 1433 . 18 1 1 A 124 124 LYS H H 124 8.080 9.091 -1.011 1
1 1434 . 18 1 1 A 124 124 LYS HA H 124 4.720 4.684 0.036 1
1 1443 . 18 1 1 A 124 124 LYS CA C 124 54.100 54.436 -0.336 1
1 1444 . 18 1 1 A 124 124 LYS CB C 124 34.700 34.574 0.126 1
1 1448 . 18 1 1 A 124 124 LYS N N 124 124.600 127.814 -3.214 1
1 1449 . 18 1 1 A 125 125 LYS H H 125 8.830 8.902 -0.072 1
1 1450 . 18 1 1 A 125 125 LYS HA H 125 4.000 3.893 0.107 1
1 1459 . 18 1 1 A 125 125 LYS CA C 125 59.000 59.987 -0.987 1
1 1460 . 18 1 1 A 125 125 LYS CB C 125 31.700 32.309 -0.609 1
1 1464 . 18 1 1 A 125 125 LYS N N 125 120.900 123.814 -2.914 1
1 1465 . 18 1 1 A 126 126 ASP H H 126 8.160 8.089 0.071 1
1 1466 . 18 1 1 A 126 126 ASP HA H 126 4.650 4.439 0.211 1
1 1469 . 18 1 1 A 126 126 ASP CA C 126 53.100 56.850 -3.750 1
1 1470 . 18 1 1 A 126 126 ASP CB C 126 40.300 41.505 -1.205 1
1 1471 . 18 1 1 A 126 126 ASP N N 126 113.200 118.830 -5.630 1
1 1472 . 18 1 1 A 127 127 GLY H H 127 7.370 7.670 -0.300 1
1 1473 . 18 1 1 A 127 127 GLY HA2 H 127 4.300 4.102 0.198 1
1 1474 . 18 1 1 A 127 127 GLY HA3 H 127 3.900 4.111 -0.211 1
1 1475 . 18 1 1 A 127 127 GLY CA C 127 45.200 45.282 -0.082 1
1 1476 . 18 1 1 A 127 127 GLY N N 127 107.600 103.265 4.335 1
1 1477 . 18 1 1 A 128 128 VAL H H 128 8.130 8.426 -0.296 1
1 1478 . 18 1 1 A 128 128 VAL HA H 128 4.900 5.344 -0.444 1
1 1486 . 18 1 1 A 128 128 VAL CA C 128 60.900 59.430 1.470 1
1 1487 . 18 1 1 A 128 128 VAL CB C 128 34.000 34.841 -0.841 1
1 1490 . 18 1 1 A 128 128 VAL N N 128 118.900 121.052 -2.152 1
1 1491 . 18 1 1 A 129 129 ASP H H 129 9.250 9.262 -0.012 1
1 1492 . 18 1 1 A 129 129 ASP HA H 129 5.220 5.396 -0.176 1
1 1495 . 18 1 1 A 129 129 ASP CA C 129 52.300 52.562 -0.262 1
1 1496 . 18 1 1 A 129 129 ASP CB C 129 43.600 44.359 -0.759 1
1 1497 . 18 1 1 A 129 129 ASP N N 129 126.500 128.100 -1.600 1
1 1498 . 18 1 1 A 130 130 GLU H H 130 8.900 8.882 0.018 1
1 1499 . 18 1 1 A 130 130 GLU HA H 130 4.420 4.828 -0.408 1
1 1504 . 18 1 1 A 130 130 GLU CA C 130 56.400 55.765 0.635 1
1 1505 . 18 1 1 A 130 130 GLU CB C 130 29.800 31.116 -1.316 1
1 1507 . 18 1 1 A 130 130 GLU N N 130 124.000 128.100 -4.100 1
1 1508 . 18 1 1 A 131 131 GLU H H 131 8.860 9.214 -0.354 1
1 1509 . 18 1 1 A 131 131 GLU HA H 131 4.430 4.903 -0.473 1
1 1514 . 18 1 1 A 131 131 GLU CA C 131 53.500 54.832 -1.332 1
1 1515 . 18 1 1 A 131 131 GLU CB C 131 32.500 32.919 -0.419 1
1 1517 . 18 1 1 A 131 131 GLU N N 131 129.200 127.502 1.698 1
1 1518 . 18 1 1 A 132 132 GLU H H 132 8.610 8.579 0.031 1
1 1519 . 18 1 1 A 132 132 GLU HA H 132 4.050 4.508 -0.458 1
1 1524 . 18 1 1 A 132 132 GLU CA C 132 57.100 55.813 1.287 1
1 1525 . 18 1 1 A 132 132 GLU CB C 132 30.100 30.822 -0.722 1
1 1527 . 18 1 1 A 132 132 GLU N N 132 126.400 123.673 2.727 1
1 1528 . 18 1 1 A 133 133 ILE H H 133 8.200 8.562 -0.362 1
1 1529 . 18 1 1 A 133 133 ILE HA H 133 4.740 4.726 0.014 1
1 1539 . 18 1 1 A 133 133 ILE CA C 133 60.000 59.709 0.291 1
1 1540 . 18 1 1 A 133 133 ILE CB C 133 39.300 39.476 -0.176 1
1 1544 . 18 1 1 A 133 133 ILE N N 133 124.500 123.083 1.417 1
1 1545 . 18 1 1 A 134 134 ILE H H 134 9.000 9.626 -0.626 1
1 1546 . 18 1 1 A 134 134 ILE HA H 134 4.190 4.815 -0.625 1
1 1556 . 18 1 1 A 134 134 ILE CA C 134 59.000 59.506 -0.506 1
1 1557 . 18 1 1 A 134 134 ILE CB C 134 38.300 38.566 -0.266 1
1 1561 . 18 1 1 A 134 134 ILE N N 134 130.900 128.202 2.698 1
1 1562 . 18 1 1 A 135 135 LEU H H 135 8.360 9.061 -0.701 1
1 1563 . 18 1 1 A 135 135 LEU HA H 135 5.190 5.234 -0.044 1
1 1573 . 18 1 1 A 135 135 LEU CA C 135 52.700 53.564 -0.864 1
1 1574 . 18 1 1 A 135 135 LEU CB C 135 42.800 43.097 -0.297 1
1 1578 . 18 1 1 A 135 135 LEU N N 135 127.100 128.558 -1.458 1
1 1579 . 18 1 1 A 136 136 LYS H H 136 8.790 9.300 -0.510 1
1 1580 . 18 1 1 A 136 136 LYS HA H 136 4.330 4.478 -0.148 1
1 1589 . 18 1 1 A 136 136 LYS CA C 136 55.600 55.197 0.403 1
1 1590 . 18 1 1 A 136 136 LYS CB C 136 34.600 33.507 1.093 1
1 1594 . 18 1 1 A 136 136 LYS N N 136 125.100 123.618 1.482 1
1 1595 . 18 1 1 A 137 137 GLU H H 137 8.850 8.758 0.092 1
1 1596 . 18 1 1 A 137 137 GLU HA H 137 4.240 4.108 0.132 1
1 1601 . 18 1 1 A 137 137 GLU CA C 137 57.600 58.919 -1.319 1
1 1602 . 18 1 1 A 137 137 GLU CB C 137 29.900 30.686 -0.786 1
1 1604 . 18 1 1 A 137 137 GLU N N 137 121.100 122.324 -1.224 1
1 1605 . 18 1 1 A 138 138 GLU H H 138 8.150 7.715 0.435 1
1 1606 . 18 1 1 A 138 138 GLU HA H 138 4.370 4.691 -0.321 1
1 1611 . 18 1 1 A 138 138 GLU CA C 138 55.800 55.317 0.483 1
1 1612 . 18 1 1 A 138 138 GLU CB C 138 30.700 33.035 -2.335 1
1 1614 . 18 1 1 A 138 138 GLU N N 138 119.300 118.436 0.864 1
1 1615 . 18 1 1 A 139 139 LEU H H 139 8.240 8.580 -0.340 1
1 1616 . 18 1 1 A 139 139 LEU HA H 139 4.180 4.340 -0.160 1
1 1626 . 18 1 1 A 139 139 LEU CA C 139 55.400 55.395 0.005 1
1 1627 . 18 1 1 A 139 139 LEU CB C 139 42.300 42.071 0.229 1
1 1631 . 18 1 1 A 139 139 LEU N N 139 122.800 122.977 -0.177 1
1 1632 . 18 1 1 A 140 140 GLU H H 140 8.250 8.665 -0.415 1
1 1633 . 18 1 1 A 140 140 GLU HA H 140 4.150 4.548 -0.398 1
1 1638 . 18 1 1 A 140 140 GLU CA C 140 56.400 55.517 0.883 1
1 1639 . 18 1 1 A 140 140 GLU CB C 140 29.900 30.822 -0.922 1
1 1641 . 18 1 1 A 140 140 GLU N N 140 120.700 123.287 -2.587 1
1 1642 . 18 1 1 A 141 141 HIS H H 141 8.400 8.303 0.097 1
1 13 . 19 1 1 A 2 2 ILE H H 2 8.780 8.282 0.498 1
1 14 . 19 1 1 A 2 2 ILE HA H 2 5.060 5.144 -0.084 1
1 24 . 19 1 1 A 2 2 ILE CA C 2 58.500 58.711 -0.211 1
1 25 . 19 1 1 A 2 2 ILE CB C 2 41.300 40.807 0.493 1
1 29 . 19 1 1 A 2 2 ILE N N 2 124.600 121.204 3.396 1
1 30 . 19 1 1 A 3 3 THR H H 3 8.280 9.044 -0.764 1
1 31 . 19 1 1 A 3 3 THR HA H 3 5.350 5.430 -0.080 1
1 36 . 19 1 1 A 3 3 THR CA C 3 60.900 61.841 -0.941 1
1 37 . 19 1 1 A 3 3 THR CB C 3 69.900 70.491 -0.591 1
1 39 . 19 1 1 A 3 3 THR N N 3 123.200 124.066 -0.866 1
1 40 . 19 1 1 A 4 4 LEU H H 4 8.710 9.084 -0.374 1
1 41 . 19 1 1 A 4 4 LEU HA H 4 5.040 5.233 -0.193 1
1 51 . 19 1 1 A 4 4 LEU CA C 4 53.800 53.350 0.450 1
1 52 . 19 1 1 A 4 4 LEU CB C 4 45.800 45.976 -0.176 1
1 56 . 19 1 1 A 4 4 LEU N N 4 127.600 123.075 4.525 1
1 57 . 19 1 1 A 5 5 THR H H 5 8.440 8.229 0.211 1
1 58 . 19 1 1 A 5 5 THR HA H 5 5.040 5.118 -0.078 1
1 63 . 19 1 1 A 5 5 THR CA C 5 59.300 60.068 -0.768 1
1 64 . 19 1 1 A 5 5 THR CB C 5 71.000 72.005 -1.005 1
1 66 . 19 1 1 A 5 5 THR N N 5 109.500 111.481 -1.981 1
1 67 . 19 1 1 A 6 6 LYS H H 6 8.730 8.534 0.196 1
1 68 . 19 1 1 A 6 6 LYS HA H 6 3.810 3.984 -0.174 1
1 77 . 19 1 1 A 6 6 LYS CA C 6 60.000 60.218 -0.218 1
1 78 . 19 1 1 A 6 6 LYS CB C 6 32.000 32.131 -0.131 1
1 82 . 19 1 1 A 6 6 LYS N N 6 121.500 121.460 0.040 1
1 83 . 19 1 1 A 7 7 LYS H H 7 8.290 7.953 0.337 1
1 84 . 19 1 1 A 7 7 LYS HA H 7 3.990 3.913 0.077 1
1 93 . 19 1 1 A 7 7 LYS CA C 7 59.200 59.356 -0.156 1
1 94 . 19 1 1 A 7 7 LYS CB C 7 32.400 31.970 0.430 1
1 98 . 19 1 1 A 7 7 LYS N N 7 118.800 120.171 -1.371 1
1 99 . 19 1 1 A 8 8 GLN H H 8 7.650 7.467 0.183 1
1 100 . 19 1 1 A 8 8 GLN HA H 8 3.890 3.904 -0.014 1
1 107 . 19 1 1 A 8 8 GLN CA C 8 58.100 59.115 -1.015 1
1 108 . 19 1 1 A 8 8 GLN CB C 8 27.400 28.877 -1.477 1
1 110 . 19 1 1 A 8 8 GLN N N 8 119.800 118.188 1.612 1
1 112 . 19 1 1 A 9 9 MET H H 9 8.130 7.878 0.252 1
1 113 . 19 1 1 A 9 9 MET HA H 9 4.130 3.950 0.180 1
1 121 . 19 1 1 A 9 9 MET CA C 9 57.500 58.270 -0.770 1
1 122 . 19 1 1 A 9 9 MET CB C 9 30.900 31.920 -1.020 1
1 125 . 19 1 1 A 9 9 MET N N 9 118.300 119.684 -1.384 1
1 126 . 19 1 1 A 10 10 GLU H H 10 8.460 8.274 0.186 1
1 127 . 19 1 1 A 10 10 GLU HA H 10 3.890 3.976 -0.086 1
1 132 . 19 1 1 A 10 10 GLU CA C 10 59.100 59.369 -0.269 1
1 133 . 19 1 1 A 10 10 GLU CB C 10 28.500 29.159 -0.659 1
1 135 . 19 1 1 A 10 10 GLU N N 10 118.500 118.053 0.447 1
1 136 . 19 1 1 A 11 11 GLU H H 11 8.200 8.048 0.152 1
1 137 . 19 1 1 A 11 11 GLU HA H 11 4.070 4.005 0.065 1
1 142 . 19 1 1 A 11 11 GLU CA C 11 59.200 59.160 0.040 1
1 143 . 19 1 1 A 11 11 GLU CB C 11 28.900 29.746 -0.846 1
1 145 . 19 1 1 A 11 11 GLU N N 11 120.800 120.928 -0.128 1
1 146 . 19 1 1 A 12 12 MET H H 12 7.780 8.300 -0.520 1
1 147 . 19 1 1 A 12 12 MET HA H 12 3.390 4.028 -0.638 1
1 155 . 19 1 1 A 12 12 MET CA C 12 60.600 58.626 1.974 1
1 156 . 19 1 1 A 12 12 MET CB C 12 33.900 32.771 1.129 1
1 159 . 19 1 1 A 12 12 MET N N 12 119.300 119.460 -0.160 1
1 160 . 19 1 1 A 13 13 LEU H H 13 8.340 8.495 -0.155 1
1 161 . 19 1 1 A 13 13 LEU HA H 13 3.770 3.988 -0.218 1
1 171 . 19 1 1 A 13 13 LEU CA C 13 58.000 57.953 0.047 1
1 172 . 19 1 1 A 13 13 LEU CB C 13 41.400 41.439 -0.039 1
1 176 . 19 1 1 A 13 13 LEU N N 13 118.600 119.842 -1.242 1
1 177 . 19 1 1 A 14 14 ALA H H 14 8.620 8.269 0.351 1
1 178 . 19 1 1 A 14 14 ALA HA H 14 4.100 4.089 0.011 1
1 182 . 19 1 1 A 14 14 ALA CA C 14 55.200 54.943 0.257 1
1 183 . 19 1 1 A 14 14 ALA CB C 14 17.800 18.254 -0.454 1
1 184 . 19 1 1 A 14 14 ALA N N 14 121.500 120.893 0.607 1
1 185 . 19 1 1 A 15 15 HIS H H 15 7.780 7.841 -0.061 1
1 186 . 19 1 1 A 15 15 HIS HA H 15 4.460 4.294 0.166 1
1 190 . 19 1 1 A 15 15 HIS CA C 15 59.000 59.926 -0.926 1
1 191 . 19 1 1 A 15 15 HIS CB C 15 29.300 29.863 -0.563 1
1 193 . 19 1 1 A 15 15 HIS N N 15 116.700 117.940 -1.240 1
1 194 . 19 1 1 A 16 16 ALA H H 16 8.390 8.492 -0.102 1
1 195 . 19 1 1 A 16 16 ALA HA H 16 4.100 3.849 0.251 1
1 199 . 19 1 1 A 16 16 ALA CA C 16 54.500 55.334 -0.834 1
1 200 . 19 1 1 A 16 16 ALA CB C 16 18.200 18.288 -0.088 1
1 201 . 19 1 1 A 16 16 ALA N N 16 120.000 121.086 -1.086 1
1 202 . 19 1 1 A 17 17 ARG H H 17 8.820 8.132 0.688 1
1 203 . 19 1 1 A 17 17 ARG HA H 17 3.890 4.040 -0.150 1
1 210 . 19 1 1 A 17 17 ARG CA C 17 59.900 58.884 1.016 1
1 211 . 19 1 1 A 17 17 ARG CB C 17 30.100 29.847 0.253 1
1 214 . 19 1 1 A 17 17 ARG N N 17 118.900 117.166 1.734 1
1 215 . 19 1 1 A 18 18 GLN H H 18 8.130 7.924 0.206 1
1 216 . 19 1 1 A 18 18 GLN HA H 18 4.060 4.069 -0.009 1
1 223 . 19 1 1 A 18 18 GLN CA C 18 57.900 58.993 -1.093 1
1 224 . 19 1 1 A 18 18 GLN CB C 18 28.000 28.773 -0.773 1
1 226 . 19 1 1 A 18 18 GLN N N 18 118.100 119.255 -1.155 1
1 228 . 19 1 1 A 19 19 ALA H H 19 7.090 7.176 -0.086 1
1 229 . 19 1 1 A 19 19 ALA HA H 19 4.220 4.324 -0.104 1
1 233 . 19 1 1 A 19 19 ALA CA C 19 52.300 51.900 0.400 1
1 234 . 19 1 1 A 19 19 ALA CB C 19 20.600 19.501 1.099 1
1 235 . 19 1 1 A 19 19 ALA N N 19 117.600 119.611 -2.011 1
1 236 . 19 1 1 A 20 20 LEU H H 20 7.020 7.423 -0.403 1
1 237 . 19 1 1 A 20 20 LEU HA H 20 4.110 4.382 -0.272 1
1 247 . 19 1 1 A 20 20 LEU CA C 20 54.600 53.864 0.736 1
1 248 . 19 1 1 A 20 20 LEU CB C 20 40.400 41.475 -1.075 1
1 252 . 19 1 1 A 20 20 LEU N N 20 117.900 122.834 -4.934 1
1 253 . 19 1 1 A 21 21 PRO HA H 21 4.320 4.611 -0.291 1
1 260 . 19 1 1 A 21 21 PRO CA C 21 63.700 63.813 -0.113 1
1 261 . 19 1 1 A 21 21 PRO CB C 21 35.000 32.585 2.415 1
1 264 . 19 1 1 A 22 22 ASN H H 22 8.690 8.301 0.389 1
1 265 . 19 1 1 A 22 22 ASN HA H 22 4.570 5.091 -0.521 1
1 270 . 19 1 1 A 22 22 ASN CA C 22 52.400 52.486 -0.086 1
1 271 . 19 1 1 A 22 22 ASN CB C 22 40.000 39.998 0.002 1
1 272 . 19 1 1 A 22 22 ASN N N 22 122.000 122.185 -0.185 1
1 274 . 19 1 1 A 23 23 GLU H H 23 8.540 7.949 0.591 1
1 275 . 19 1 1 A 23 23 GLU HA H 23 4.050 4.638 -0.588 1
1 280 . 19 1 1 A 23 23 GLU CA C 23 57.300 56.026 1.274 1
1 281 . 19 1 1 A 23 23 GLU CB C 23 29.000 30.732 -1.732 1
1 283 . 19 1 1 A 23 23 GLU N N 23 116.100 119.932 -3.832 1
1 284 . 19 1 1 A 24 24 ALA H H 24 8.390 8.492 -0.102 1
1 285 . 19 1 1 A 24 24 ALA HA H 24 5.040 5.188 -0.148 1
1 289 . 19 1 1 A 24 24 ALA CA C 24 48.900 50.069 -1.169 1
1 290 . 19 1 1 A 24 24 ALA CB C 24 23.200 21.185 2.015 1
1 291 . 19 1 1 A 24 24 ALA N N 24 124.800 122.950 1.850 1
1 292 . 19 1 1 A 25 25 CYS H H 25 8.910 9.073 -0.163 1
1 293 . 19 1 1 A 25 25 CYS HA H 25 5.000 5.062 -0.062 1
1 296 . 19 1 1 A 25 25 CYS CA C 25 55.000 56.846 -1.846 1
1 297 . 19 1 1 A 25 25 CYS CB C 25 32.600 30.769 1.831 1
1 298 . 19 1 1 A 25 25 CYS N N 25 111.700 121.002 -9.302 1
1 299 . 19 1 1 A 26 26 GLY H H 26 7.110 7.669 -0.559 1
1 300 . 19 1 1 A 26 26 GLY HA2 H 26 3.820 3.810 0.010 1
1 301 . 19 1 1 A 26 26 GLY HA3 H 26 4.070 4.133 -0.063 1
1 302 . 19 1 1 A 26 26 GLY CA C 26 46.500 45.721 0.779 1
1 303 . 19 1 1 A 26 26 GLY N N 26 103.200 107.587 -4.387 1
1 304 . 19 1 1 A 27 27 LEU H H 27 8.830 8.922 -0.092 1
1 305 . 19 1 1 A 27 27 LEU HA H 27 5.200 5.397 -0.197 1
1 315 . 19 1 1 A 27 27 LEU CA C 27 53.200 53.561 -0.361 1
1 316 . 19 1 1 A 27 27 LEU CB C 27 46.600 45.806 0.794 1
1 320 . 19 1 1 A 27 27 LEU N N 27 116.700 121.139 -4.439 1
1 321 . 19 1 1 A 28 28 LEU H H 28 8.060 8.774 -0.714 1
1 322 . 19 1 1 A 28 28 LEU HA H 28 5.200 5.230 -0.030 1
1 332 . 19 1 1 A 28 28 LEU CA C 28 53.400 52.940 0.460 1
1 333 . 19 1 1 A 28 28 LEU CB C 28 44.900 45.125 -0.225 1
1 337 . 19 1 1 A 28 28 LEU N N 28 118.200 121.366 -3.166 1
1 338 . 19 1 1 A 29 29 GLY H H 29 9.210 9.264 -0.054 1
1 339 . 19 1 1 A 29 29 GLY HA2 H 29 3.750 4.284 -0.534 1
1 340 . 19 1 1 A 29 29 GLY HA3 H 29 5.800 4.303 1.497 1
1 341 . 19 1 1 A 29 29 GLY CA C 29 43.600 44.415 -0.815 1
1 342 . 19 1 1 A 29 29 GLY N N 29 109.500 111.719 -2.219 1
1 343 . 19 1 1 A 30 30 GLY H H 30 9.520 8.234 1.286 1
1 344 . 19 1 1 A 30 30 GLY HA2 H 30 3.210 3.873 -0.663 1
1 345 . 19 1 1 A 30 30 GLY HA3 H 30 4.800 4.229 0.571 1
1 346 . 19 1 1 A 30 30 GLY CA C 30 47.500 45.857 1.643 1
1 347 . 19 1 1 A 30 30 GLY N N 30 111.700 108.604 3.096 1
1 348 . 19 1 1 A 31 31 ARG H H 31 8.900 8.422 0.478 1
1 349 . 19 1 1 A 31 31 ARG HA H 31 5.170 5.281 -0.111 1
1 356 . 19 1 1 A 31 31 ARG CA C 31 54.200 54.575 -0.375 1
1 357 . 19 1 1 A 31 31 ARG CB C 31 34.200 34.667 -0.467 1
1 360 . 19 1 1 A 31 31 ARG N N 31 123.000 122.375 0.625 1
1 361 . 19 1 1 A 32 32 ARG H H 32 9.070 9.083 -0.013 1
1 362 . 19 1 1 A 32 32 ARG HA H 32 5.140 5.318 -0.178 1
1 369 . 19 1 1 A 32 32 ARG CA C 32 54.700 54.661 0.039 1
1 370 . 19 1 1 A 32 32 ARG CB C 32 33.700 33.066 0.634 1
1 373 . 19 1 1 A 32 32 ARG N N 32 121.500 120.922 0.578 1
1 374 . 19 1 1 A 33 33 ASP H H 33 8.640 8.942 -0.302 1
1 375 . 19 1 1 A 33 33 ASP HA H 33 4.850 5.067 -0.217 1
1 378 . 19 1 1 A 33 33 ASP CA C 33 53.400 53.407 -0.007 1
1 379 . 19 1 1 A 33 33 ASP CB C 33 42.100 41.469 0.631 1
1 380 . 19 1 1 A 33 33 ASP N N 33 124.200 122.777 1.423 1
1 381 . 19 1 1 A 34 34 GLY H H 34 9.020 7.448 1.572 1
1 382 . 19 1 1 A 34 34 GLY HA2 H 34 3.670 4.114 -0.444 1
1 383 . 19 1 1 A 34 34 GLY HA3 H 34 4.000 4.122 -0.122 1
1 384 . 19 1 1 A 34 34 GLY CA C 34 47.200 45.096 2.104 1
1 385 . 19 1 1 A 34 34 GLY N N 34 115.900 106.793 9.107 1
1 386 . 19 1 1 A 35 35 ASP H H 35 9.070 8.612 0.458 1
1 387 . 19 1 1 A 35 35 ASP HA H 35 4.650 4.638 0.012 1
1 390 . 19 1 1 A 35 35 ASP CA C 35 54.800 54.085 0.715 1
1 391 . 19 1 1 A 35 35 ASP CB C 35 41.000 41.156 -0.156 1
1 392 . 19 1 1 A 35 35 ASP N N 35 127.300 126.433 0.867 1
1 393 . 19 1 1 A 36 36 ASP H H 36 8.070 7.762 0.308 1
1 394 . 19 1 1 A 36 36 ASP HA H 36 4.950 5.338 -0.388 1
1 397 . 19 1 1 A 36 36 ASP CA C 36 53.700 52.791 0.909 1
1 398 . 19 1 1 A 36 36 ASP CB C 36 41.700 43.114 -1.414 1
1 399 . 19 1 1 A 36 36 ASP N N 36 120.600 118.350 2.250 1
1 400 . 19 1 1 A 37 37 ARG H H 37 8.070 8.607 -0.537 1
1 401 . 19 1 1 A 37 37 ARG HA H 37 4.850 4.962 -0.112 1
1 408 . 19 1 1 A 37 37 ARG CA C 37 55.400 54.167 1.233 1
1 409 . 19 1 1 A 37 37 ARG CB C 37 32.900 33.085 -0.185 1
1 412 . 19 1 1 A 37 37 ARG N N 37 120.800 120.037 0.763 1
1 413 . 19 1 1 A 38 38 TRP H H 38 9.380 9.545 -0.165 1
1 414 . 19 1 1 A 38 38 TRP HA H 38 4.840 5.575 -0.735 1
1 423 . 19 1 1 A 38 38 TRP CA C 38 57.000 55.881 1.119 1
1 424 . 19 1 1 A 38 38 TRP CB C 38 30.100 31.313 -1.213 1
1 430 . 19 1 1 A 38 38 TRP N N 38 124.900 123.390 1.510 1
1 432 . 19 1 1 A 39 39 VAL H H 39 8.450 9.432 -0.982 1
1 433 . 19 1 1 A 39 39 VAL HA H 39 3.390 4.228 -0.838 1
1 441 . 19 1 1 A 39 39 VAL CA C 39 64.500 62.618 1.882 1
1 442 . 19 1 1 A 39 39 VAL CB C 39 31.500 31.111 0.389 1
1 445 . 19 1 1 A 39 39 VAL N N 39 124.400 125.219 -0.819 1
1 446 . 19 1 1 A 40 40 GLU H H 40 9.080 8.297 0.783 1
1 447 . 19 1 1 A 40 40 GLU HA H 40 4.350 4.576 -0.226 1
1 452 . 19 1 1 A 40 40 GLU CA C 40 54.900 56.359 -1.459 1
1 453 . 19 1 1 A 40 40 GLU CB C 40 29.500 31.128 -1.628 1
1 455 . 19 1 1 A 40 40 GLU N N 40 124.200 126.739 -2.539 1
1 456 . 19 1 1 A 41 41 ARG H H 41 7.610 7.306 0.304 1
1 457 . 19 1 1 A 41 41 ARG HA H 41 4.070 4.662 -0.592 1
1 464 . 19 1 1 A 41 41 ARG CA C 41 56.800 54.476 2.324 1
1 465 . 19 1 1 A 41 41 ARG CB C 41 33.600 33.122 0.478 1
1 468 . 19 1 1 A 41 41 ARG N N 41 120.000 120.923 -0.923 1
1 469 . 19 1 1 A 42 42 VAL H H 42 8.460 8.630 -0.170 1
1 470 . 19 1 1 A 42 42 VAL HA H 42 4.300 4.580 -0.280 1
1 478 . 19 1 1 A 42 42 VAL CA C 42 60.900 60.994 -0.094 1
1 479 . 19 1 1 A 42 42 VAL CB C 42 32.900 34.340 -1.440 1
1 482 . 19 1 1 A 42 42 VAL N N 42 125.600 125.675 -0.075 1
1 483 . 19 1 1 A 43 43 TYR H H 43 9.070 8.874 0.196 1
1 484 . 19 1 1 A 43 43 TYR HA H 43 4.930 5.197 -0.267 1
1 491 . 19 1 1 A 43 43 TYR CA C 43 54.600 54.991 -0.391 1
1 492 . 19 1 1 A 43 43 TYR CB C 43 38.500 39.032 -0.532 1
1 495 . 19 1 1 A 43 43 TYR N N 43 124.800 126.136 -1.336 1
1 496 . 19 1 1 A 44 44 PRO HA H 44 4.260 4.231 0.029 1
1 503 . 19 1 1 A 44 44 PRO CA C 44 63.200 62.092 1.108 1
1 504 . 19 1 1 A 44 44 PRO CB C 44 30.100 29.154 0.946 1
1 507 . 19 1 1 A 45 45 LEU H H 45 8.270 7.918 0.352 1
1 508 . 19 1 1 A 45 45 LEU HA H 45 4.930 4.575 0.355 1
1 518 . 19 1 1 A 45 45 LEU CA C 45 53.800 54.180 -0.380 1
1 519 . 19 1 1 A 45 45 LEU CB C 45 45.600 42.363 3.237 1
1 523 . 19 1 1 A 45 45 LEU N N 45 125.800 123.615 2.185 1
1 524 . 19 1 1 A 46 46 ASN H H 46 9.120 8.720 0.400 1
1 525 . 19 1 1 A 46 46 ASN HA H 46 4.630 5.298 -0.668 1
1 530 . 19 1 1 A 46 46 ASN CA C 46 56.000 52.696 3.304 1
1 531 . 19 1 1 A 46 46 ASN CB C 46 39.000 40.909 -1.909 1
1 532 . 19 1 1 A 46 46 ASN N N 46 119.000 119.716 -0.716 1
1 534 . 19 1 1 A 47 47 ASN H H 47 8.460 8.677 -0.217 1
1 535 . 19 1 1 A 47 47 ASN HA H 47 5.260 5.011 0.249 1
1 540 . 19 1 1 A 47 47 ASN CA C 47 51.200 52.193 -0.993 1
1 541 . 19 1 1 A 47 47 ASN CB C 47 37.700 39.517 -1.817 1
1 542 . 19 1 1 A 47 47 ASN N N 47 118.500 122.720 -4.220 1
1 544 . 19 1 1 A 48 48 LEU H H 48 8.890 8.780 0.110 1
1 545 . 19 1 1 A 48 48 LEU HA H 48 4.070 4.189 -0.119 1
1 555 . 19 1 1 A 48 48 LEU CA C 48 56.800 56.755 0.045 1
1 556 . 19 1 1 A 48 48 LEU CB C 48 41.600 42.084 -0.484 1
1 560 . 19 1 1 A 48 48 LEU N N 48 127.100 128.633 -1.533 1
1 561 . 19 1 1 A 49 49 ASP H H 49 7.820 7.993 -0.173 1
1 562 . 19 1 1 A 49 49 ASP HA H 49 4.430 5.042 -0.612 1
1 565 . 19 1 1 A 49 49 ASP CA C 49 54.500 52.952 1.548 1
1 566 . 19 1 1 A 49 49 ASP CB C 49 40.100 42.719 -2.619 1
1 567 . 19 1 1 A 49 49 ASP N N 49 115.700 118.306 -2.606 1
1 568 . 19 1 1 A 50 50 GLN H H 50 7.770 8.668 -0.898 1
1 569 . 19 1 1 A 50 50 GLN HA H 50 3.880 4.863 -0.983 1
1 576 . 19 1 1 A 50 50 GLN CA C 50 56.000 54.897 1.103 1
1 577 . 19 1 1 A 50 50 GLN CB C 50 27.400 29.898 -2.498 1
1 579 . 19 1 1 A 50 50 GLN N N 50 115.300 120.759 -5.459 1
1 581 . 19 1 1 A 51 51 SER H H 51 6.370 8.319 -1.949 1
1 582 . 19 1 1 A 51 51 SER HA H 51 5.210 5.092 0.118 1
1 585 . 19 1 1 A 51 51 SER CA C 51 53.700 55.788 -2.088 1
1 586 . 19 1 1 A 51 51 SER CB C 51 66.100 65.698 0.402 1
1 587 . 19 1 1 A 51 51 SER N N 51 109.000 119.279 -10.279 1
1 588 . 19 1 1 A 52 52 PRO HA H 52 4.830 4.604 0.226 1
1 595 . 19 1 1 A 52 52 PRO CA C 52 64.000 63.950 0.050 1
1 596 . 19 1 1 A 52 52 PRO CB C 52 33.300 32.885 0.415 1
1 599 . 19 1 1 A 53 53 GLU H H 53 8.320 7.810 0.510 1
1 600 . 19 1 1 A 53 53 GLU HA H 53 4.510 4.564 -0.054 1
1 605 . 19 1 1 A 53 53 GLU CA C 53 55.700 57.361 -1.661 1
1 606 . 19 1 1 A 53 53 GLU CB C 53 32.400 32.837 -0.437 1
1 608 . 19 1 1 A 53 53 GLU N N 53 113.900 118.014 -4.114 1
1 609 . 19 1 1 A 54 54 HIS H H 54 7.070 8.188 -1.118 1
1 610 . 19 1 1 A 54 54 HIS HA H 54 4.750 5.012 -0.262 1
1 614 . 19 1 1 A 54 54 HIS CA C 54 54.100 53.631 0.469 1
1 615 . 19 1 1 A 54 54 HIS CB C 54 31.100 32.285 -1.185 1
1 617 . 19 1 1 A 54 54 HIS N N 54 112.500 116.228 -3.728 1
1 618 . 19 1 1 A 55 55 PHE H H 55 7.900 8.407 -0.507 1
1 619 . 19 1 1 A 55 55 PHE HA H 55 5.580 5.728 -0.148 1
1 627 . 19 1 1 A 55 55 PHE CA C 55 55.400 55.114 0.286 1
1 628 . 19 1 1 A 55 55 PHE CB C 55 41.200 42.616 -1.416 1
1 632 . 19 1 1 A 55 55 PHE N N 55 114.900 119.743 -4.843 1
1 633 . 19 1 1 A 56 56 SER H H 56 7.690 9.145 -1.455 1
1 634 . 19 1 1 A 56 56 SER HA H 56 4.300 5.320 -1.020 1
1 637 . 19 1 1 A 56 56 SER CA C 56 57.800 57.480 0.320 1
1 638 . 19 1 1 A 56 56 SER CB C 56 65.300 66.178 -0.878 1
1 639 . 19 1 1 A 56 56 SER N N 56 112.900 116.262 -3.362 1
1 640 . 19 1 1 A 57 57 MET H H 57 8.750 9.024 -0.274 1
1 641 . 19 1 1 A 57 57 MET HA H 57 4.860 5.256 -0.396 1
1 649 . 19 1 1 A 57 57 MET CA C 57 54.400 54.208 0.192 1
1 650 . 19 1 1 A 57 57 MET CB C 57 36.000 36.127 -0.127 1
1 653 . 19 1 1 A 57 57 MET N N 57 120.000 123.646 -3.646 1
1 654 . 19 1 1 A 58 58 ASP H H 58 10.180 9.113 1.067 1
1 655 . 19 1 1 A 58 58 ASP HA H 58 4.740 5.051 -0.311 1
1 658 . 19 1 1 A 58 58 ASP CA C 58 51.700 51.172 0.528 1
1 659 . 19 1 1 A 58 58 ASP CB C 58 42.700 42.691 0.009 1
1 660 . 19 1 1 A 58 58 ASP N N 58 126.600 122.356 4.244 1
1 661 . 19 1 1 A 59 59 PRO HA H 59 4.400 4.384 0.016 1
1 668 . 19 1 1 A 59 59 PRO CA C 59 65.300 64.744 0.556 1
1 669 . 19 1 1 A 59 59 PRO CB C 59 32.300 32.127 0.173 1
1 672 . 19 1 1 A 60 60 ARG H H 60 8.520 8.791 -0.271 1
1 673 . 19 1 1 A 60 60 ARG HA H 60 4.120 4.055 0.065 1
1 680 . 19 1 1 A 60 60 ARG CA C 60 59.200 58.984 0.216 1
1 681 . 19 1 1 A 60 60 ARG CB C 60 29.500 29.846 -0.346 1
1 684 . 19 1 1 A 60 60 ARG N N 60 118.700 116.263 2.437 1
1 685 . 19 1 1 A 61 61 GLU H H 61 7.730 8.326 -0.596 1
1 686 . 19 1 1 A 61 61 GLU HA H 61 4.190 4.040 0.150 1
1 691 . 19 1 1 A 61 61 GLU CA C 61 59.000 59.426 -0.426 1
1 692 . 19 1 1 A 61 61 GLU CB C 61 30.200 28.936 1.264 1
1 694 . 19 1 1 A 61 61 GLU N N 61 119.800 118.378 1.422 1
1 695 . 19 1 1 A 62 62 GLN H H 62 8.220 7.718 0.502 1
1 696 . 19 1 1 A 62 62 GLN HA H 62 3.830 3.931 -0.101 1
1 703 . 19 1 1 A 62 62 GLN CA C 62 59.900 58.936 0.964 1
1 704 . 19 1 1 A 62 62 GLN CB C 62 29.000 28.054 0.946 1
1 706 . 19 1 1 A 62 62 GLN N N 62 118.700 119.237 -0.537 1
1 708 . 19 1 1 A 63 63 LEU H H 63 7.950 7.832 0.118 1
1 709 . 19 1 1 A 63 63 LEU HA H 63 4.110 4.008 0.102 1
1 719 . 19 1 1 A 63 63 LEU CA C 63 58.000 57.972 0.028 1
1 720 . 19 1 1 A 63 63 LEU CB C 63 41.400 41.605 -0.205 1
1 724 . 19 1 1 A 63 63 LEU N N 63 119.200 122.065 -2.865 1
1 725 . 19 1 1 A 64 64 THR H H 64 7.910 8.293 -0.383 1
1 726 . 19 1 1 A 64 64 THR HA H 64 3.790 3.873 -0.083 1
1 731 . 19 1 1 A 64 64 THR CA C 64 66.800 66.242 0.558 1
1 732 . 19 1 1 A 64 64 THR CB C 64 68.700 68.181 0.519 1
1 734 . 19 1 1 A 64 64 THR N N 64 116.000 114.303 1.697 1
1 735 . 19 1 1 A 65 65 ALA H H 65 7.520 7.466 0.054 1
1 736 . 19 1 1 A 65 65 ALA HA H 65 3.970 3.461 0.509 1
1 740 . 19 1 1 A 65 65 ALA CA C 65 55.100 54.611 0.489 1
1 741 . 19 1 1 A 65 65 ALA CB C 65 17.900 17.659 0.241 1
1 742 . 19 1 1 A 65 65 ALA N N 65 125.200 123.430 1.770 1
1 743 . 19 1 1 A 66 66 VAL H H 66 8.420 7.643 0.777 1
1 744 . 19 1 1 A 66 66 VAL HA H 66 3.840 3.411 0.429 1
1 752 . 19 1 1 A 66 66 VAL CA C 66 66.200 67.048 -0.848 1
1 753 . 19 1 1 A 66 66 VAL CB C 66 31.700 31.463 0.237 1
1 756 . 19 1 1 A 66 66 VAL N N 66 119.300 118.914 0.386 1
1 757 . 19 1 1 A 67 67 LYS H H 67 8.570 8.381 0.189 1
1 758 . 19 1 1 A 67 67 LYS HA H 67 3.960 3.977 -0.017 1
1 767 . 19 1 1 A 67 67 LYS CA C 67 60.300 59.830 0.470 1
1 768 . 19 1 1 A 67 67 LYS CB C 67 32.200 32.202 -0.002 1
1 772 . 19 1 1 A 67 67 LYS N N 67 120.600 119.938 0.662 1
1 773 . 19 1 1 A 68 68 ASP H H 68 7.660 7.970 -0.310 1
1 774 . 19 1 1 A 68 68 ASP HA H 68 4.290 4.424 -0.134 1
1 777 . 19 1 1 A 68 68 ASP CA C 68 58.300 57.794 0.506 1
1 778 . 19 1 1 A 68 68 ASP CB C 68 42.700 41.218 1.482 1
1 779 . 19 1 1 A 68 68 ASP N N 68 121.500 119.709 1.791 1
1 780 . 19 1 1 A 69 69 MET H H 69 8.620 8.205 0.415 1
1 781 . 19 1 1 A 69 69 MET HA H 69 4.250 4.541 -0.291 1
1 789 . 19 1 1 A 69 69 MET CA C 69 60.300 58.863 1.437 1
1 790 . 19 1 1 A 69 69 MET CB C 69 32.700 33.320 -0.620 1
1 793 . 19 1 1 A 69 69 MET N N 69 120.100 118.520 1.580 1
1 794 . 19 1 1 A 70 70 ARG H H 70 8.500 8.708 -0.208 1
1 795 . 19 1 1 A 70 70 ARG HA H 70 4.110 4.136 -0.026 1
1 802 . 19 1 1 A 70 70 ARG CA C 70 59.200 58.502 0.698 1
1 803 . 19 1 1 A 70 70 ARG CB C 70 29.600 29.561 0.039 1
1 806 . 19 1 1 A 70 70 ARG N N 70 119.000 118.100 0.900 1
1 807 . 19 1 1 A 71 71 LYS H H 71 8.020 7.527 0.493 1
1 808 . 19 1 1 A 71 71 LYS HA H 71 3.970 4.027 -0.057 1
1 817 . 19 1 1 A 71 71 LYS CA C 71 58.800 59.257 -0.457 1
1 818 . 19 1 1 A 71 71 LYS CB C 71 32.000 32.173 -0.173 1
1 822 . 19 1 1 A 71 71 LYS N N 71 121.100 119.812 1.288 1
1 823 . 19 1 1 A 72 72 ASN H H 72 6.960 7.468 -0.508 1
1 824 . 19 1 1 A 72 72 ASN HA H 72 4.090 4.624 -0.534 1
1 829 . 19 1 1 A 72 72 ASN CA C 72 53.300 52.930 0.370 1
1 830 . 19 1 1 A 72 72 ASN CB C 72 39.000 38.692 0.308 1
1 831 . 19 1 1 A 72 72 ASN N N 72 114.600 115.505 -0.905 1
1 833 . 19 1 1 A 73 73 GLY H H 73 7.560 7.986 -0.426 1
1 834 . 19 1 1 A 73 73 GLY HA2 H 73 3.890 3.848 0.042 1
1 835 . 19 1 1 A 73 73 GLY HA3 H 73 3.760 3.952 -0.192 1
1 836 . 19 1 1 A 73 73 GLY CA C 73 45.900 44.868 1.032 1
1 837 . 19 1 1 A 73 73 GLY N N 73 106.700 106.866 -0.166 1
1 838 . 19 1 1 A 74 74 TRP H H 74 8.240 8.178 0.062 1
1 839 . 19 1 1 A 74 74 TRP HA H 74 5.260 4.757 0.503 1
1 848 . 19 1 1 A 74 74 TRP CA C 74 53.100 57.480 -4.380 1
1 849 . 19 1 1 A 74 74 TRP CB C 74 31.400 30.591 0.809 1
1 855 . 19 1 1 A 74 74 TRP N N 74 120.700 121.152 -0.452 1
1 857 . 19 1 1 A 75 75 VAL H H 75 9.410 9.289 0.121 1
1 858 . 19 1 1 A 75 75 VAL HA H 75 4.800 4.883 -0.083 1
1 866 . 19 1 1 A 75 75 VAL CA C 75 58.500 59.085 -0.585 1
1 867 . 19 1 1 A 75 75 VAL CB C 75 35.500 35.584 -0.084 1
1 870 . 19 1 1 A 75 75 VAL N N 75 112.100 115.147 -3.047 1
1 871 . 19 1 1 A 76 76 MET H H 76 8.800 8.740 0.060 1
1 872 . 19 1 1 A 76 76 MET HA H 76 4.650 4.520 0.130 1
1 880 . 19 1 1 A 76 76 MET CA C 76 56.900 55.391 1.509 1
1 881 . 19 1 1 A 76 76 MET CB C 76 32.600 32.311 0.289 1
1 884 . 19 1 1 A 76 76 MET N N 76 122.400 123.382 -0.982 1
1 885 . 19 1 1 A 77 77 LEU H H 77 8.780 8.642 0.138 1
1 886 . 19 1 1 A 77 77 LEU HA H 77 4.480 4.247 0.233 1
1 896 . 19 1 1 A 77 77 LEU CA C 77 54.100 56.434 -2.334 1
1 897 . 19 1 1 A 77 77 LEU CB C 77 44.700 42.629 2.071 1
1 901 . 19 1 1 A 77 77 LEU N N 77 125.600 128.452 -2.852 1
1 902 . 19 1 1 A 78 78 GLY H H 78 7.590 7.009 0.581 1
1 903 . 19 1 1 A 78 78 GLY HA2 H 78 5.150 3.959 1.191 1
1 904 . 19 1 1 A 78 78 GLY HA3 H 78 3.660 3.999 -0.339 1
1 905 . 19 1 1 A 78 78 GLY CA C 78 45.700 45.623 0.077 1
1 906 . 19 1 1 A 78 78 GLY N N 78 102.900 103.916 -1.016 1
1 907 . 19 1 1 A 79 79 ASN H H 79 8.520 8.618 -0.098 1
1 908 . 19 1 1 A 79 79 ASN HA H 79 5.230 5.652 -0.422 1
1 913 . 19 1 1 A 79 79 ASN CA C 79 51.100 51.605 -0.505 1
1 914 . 19 1 1 A 79 79 ASN CB C 79 41.500 42.401 -0.901 1
1 915 . 19 1 1 A 79 79 ASN N N 79 115.600 117.992 -2.392 1
1 917 . 19 1 1 A 80 80 PHE H H 80 8.410 8.566 -0.156 1
1 918 . 19 1 1 A 80 80 PHE HA H 80 6.120 5.656 0.464 1
1 926 . 19 1 1 A 80 80 PHE CA C 80 54.500 56.112 -1.612 1
1 927 . 19 1 1 A 80 80 PHE CB C 80 44.800 43.328 1.472 1
1 931 . 19 1 1 A 80 80 PHE N N 80 113.100 116.265 -3.165 1
1 932 . 19 1 1 A 81 81 HIS H H 81 8.310 8.769 -0.459 1
1 933 . 19 1 1 A 81 81 HIS HA H 81 5.300 5.389 -0.089 1
1 938 . 19 1 1 A 81 81 HIS CA C 81 54.400 54.217 0.183 1
1 939 . 19 1 1 A 81 81 HIS CB C 81 30.300 32.109 -1.809 1
1 942 . 19 1 1 A 81 81 HIS N N 81 111.600 116.119 -4.519 1
1 943 . 19 1 1 A 82 82 SER H H 82 8.390 8.650 -0.260 1
1 944 . 19 1 1 A 82 82 SER HA H 82 5.510 5.443 0.067 1
1 947 . 19 1 1 A 82 82 SER CA C 82 54.800 55.678 -0.878 1
1 948 . 19 1 1 A 82 82 SER CB C 82 66.700 66.135 0.565 1
1 949 . 19 1 1 A 82 82 SER N N 82 112.700 114.017 -1.317 1
1 950 . 19 1 1 A 83 83 HIS H H 83 8.890 8.613 0.277 1
1 951 . 19 1 1 A 83 83 HIS HA H 83 5.480 4.844 0.636 1
1 956 . 19 1 1 A 83 83 HIS CA C 83 49.900 54.343 -4.443 1
1 957 . 19 1 1 A 83 83 HIS CB C 83 32.000 30.815 1.185 1
1 960 . 19 1 1 A 83 83 HIS N N 83 115.200 119.242 -4.042 1
1 961 . 19 1 1 A 84 84 PRO HA H 84 3.940 4.362 -0.422 1
1 968 . 19 1 1 A 84 84 PRO CA C 84 65.600 65.270 0.330 1
1 969 . 19 1 1 A 84 84 PRO CB C 84 33.300 31.790 1.510 1
1 972 . 19 1 1 A 85 85 ALA H H 85 8.410 8.116 0.294 1
1 973 . 19 1 1 A 85 85 ALA HA H 85 4.670 4.543 0.127 1
1 977 . 19 1 1 A 85 85 ALA CA C 85 51.300 51.202 0.098 1
1 978 . 19 1 1 A 85 85 ALA CB C 85 21.200 19.130 2.070 1
1 979 . 19 1 1 A 85 85 ALA N N 85 112.800 119.211 -6.411 1
1 980 . 19 1 1 A 86 86 THR H H 86 7.070 8.203 -1.133 1
1 981 . 19 1 1 A 86 86 THR HA H 86 4.960 4.968 -0.008 1
1 986 . 19 1 1 A 86 86 THR CA C 86 58.600 58.786 -0.186 1
1 987 . 19 1 1 A 86 86 THR CB C 86 69.500 70.284 -0.784 1
1 989 . 19 1 1 A 86 86 THR N N 86 109.200 111.320 -2.120 1
1 990 . 19 1 1 A 87 87 PRO HA H 87 4.630 4.700 -0.070 1
1 997 . 19 1 1 A 87 87 PRO CA C 87 62.700 62.600 0.100 1
1 998 . 19 1 1 A 87 87 PRO CB C 87 33.500 32.976 0.524 1
1 1001 . 19 1 1 A 88 88 ALA H H 88 9.760 8.425 1.335 1
1 1002 . 19 1 1 A 88 88 ALA HA H 88 3.960 4.526 -0.566 1
1 1006 . 19 1 1 A 88 88 ALA CA C 88 51.700 51.655 0.045 1
1 1007 . 19 1 1 A 88 88 ALA CB C 88 16.300 17.732 -1.432 1
1 1008 . 19 1 1 A 88 88 ALA N N 88 127.600 123.791 3.809 1
1 1009 . 19 1 1 A 89 89 ARG H H 89 7.570 7.973 -0.403 1
1 1010 . 19 1 1 A 89 89 ARG HA H 89 4.280 4.047 0.233 1
1 1017 . 19 1 1 A 89 89 ARG CA C 89 53.200 53.609 -0.409 1
1 1018 . 19 1 1 A 89 89 ARG CB C 89 31.300 33.428 -2.128 1
1 1021 . 19 1 1 A 89 89 ARG N N 89 118.300 122.675 -4.375 1
1 1022 . 19 1 1 A 90 90 PRO HA H 90 4.510 4.830 -0.320 1
1 1029 . 19 1 1 A 90 90 PRO CA C 90 62.900 62.513 0.387 1
1 1030 . 19 1 1 A 90 90 PRO CB C 90 31.300 32.057 -0.757 1
1 1033 . 19 1 1 A 91 91 SER H H 91 9.630 8.750 0.880 1
1 1034 . 19 1 1 A 91 91 SER HA H 91 4.600 4.773 -0.173 1
1 1037 . 19 1 1 A 91 91 SER CA C 91 56.500 57.302 -0.802 1
1 1038 . 19 1 1 A 91 91 SER CB C 91 66.000 64.644 1.356 1
1 1039 . 19 1 1 A 91 91 SER N N 91 122.500 117.720 4.780 1
1 1040 . 19 1 1 A 92 92 ALA H H 92 8.910 8.952 -0.042 1
1 1041 . 19 1 1 A 92 92 ALA HA H 92 3.980 3.951 0.029 1
1 1045 . 19 1 1 A 92 92 ALA CA C 92 55.900 55.342 0.558 1
1 1046 . 19 1 1 A 92 92 ALA CB C 92 17.800 18.206 -0.406 1
1 1047 . 19 1 1 A 92 92 ALA N N 92 123.000 123.960 -0.960 1
1 1048 . 19 1 1 A 93 93 GLU H H 93 8.370 7.970 0.400 1
1 1049 . 19 1 1 A 93 93 GLU HA H 93 4.070 3.887 0.183 1
1 1054 . 19 1 1 A 93 93 GLU CA C 93 58.900 59.939 -1.039 1
1 1055 . 19 1 1 A 93 93 GLU CB C 93 28.800 29.716 -0.916 1
1 1057 . 19 1 1 A 93 93 GLU N N 93 118.800 117.687 1.113 1
1 1058 . 19 1 1 A 94 94 ASP H H 94 7.770 8.338 -0.568 1
1 1059 . 19 1 1 A 94 94 ASP HA H 94 4.260 4.478 -0.218 1
1 1062 . 19 1 1 A 94 94 ASP CA C 94 57.100 56.628 0.472 1
1 1063 . 19 1 1 A 94 94 ASP CB C 94 40.200 40.323 -0.123 1
1 1064 . 19 1 1 A 94 94 ASP N N 94 119.200 120.407 -1.207 1
1 1065 . 19 1 1 A 95 95 LYS H H 95 7.830 8.127 -0.297 1
1 1066 . 19 1 1 A 95 95 LYS HA H 95 3.720 3.909 -0.189 1
1 1075 . 19 1 1 A 95 95 LYS CA C 95 59.500 59.708 -0.208 1
1 1076 . 19 1 1 A 95 95 LYS CB C 95 31.900 32.211 -0.311 1
1 1080 . 19 1 1 A 95 95 LYS N N 95 116.400 121.354 -4.954 1
1 1081 . 19 1 1 A 96 96 ARG H H 96 7.570 7.863 -0.293 1
1 1082 . 19 1 1 A 96 96 ARG HA H 96 3.940 3.901 0.039 1
1 1089 . 19 1 1 A 96 96 ARG CA C 96 58.500 57.956 0.544 1
1 1090 . 19 1 1 A 96 96 ARG CB C 96 30.100 29.158 0.942 1
1 1093 . 19 1 1 A 96 96 ARG N N 96 119.400 119.026 0.374 1
1 1094 . 19 1 1 A 97 97 LEU H H 97 7.270 7.094 0.176 1
1 1095 . 19 1 1 A 97 97 LEU HA H 97 4.030 4.057 -0.027 1
1 1105 . 19 1 1 A 97 97 LEU CA C 97 54.400 55.079 -0.679 1
1 1106 . 19 1 1 A 97 97 LEU CB C 97 41.600 41.455 0.145 1
1 1110 . 19 1 1 A 97 97 LEU N N 97 116.100 117.914 -1.814 1
1 1111 . 19 1 1 A 98 98 ALA H H 98 6.950 6.966 -0.016 1
1 1112 . 19 1 1 A 98 98 ALA HA H 98 4.230 4.532 -0.302 1
1 1116 . 19 1 1 A 98 98 ALA CA C 98 50.800 50.519 0.281 1
1 1117 . 19 1 1 A 98 98 ALA CB C 98 16.700 19.062 -2.362 1
1 1118 . 19 1 1 A 98 98 ALA N N 98 124.800 123.732 1.068 1
1 1119 . 19 1 1 A 99 99 PHE H H 99 7.630 8.916 -1.286 1
1 1120 . 19 1 1 A 99 99 PHE HA H 99 4.490 4.606 -0.116 1
1 1128 . 19 1 1 A 99 99 PHE CA C 99 58.200 58.745 -0.545 1
1 1129 . 19 1 1 A 99 99 PHE CB C 99 39.500 39.949 -0.449 1
1 1133 . 19 1 1 A 99 99 PHE N N 99 120.400 122.512 -2.112 1
1 1134 . 19 1 1 A 100 100 ASP H H 100 7.320 7.558 -0.238 1
1 1135 . 19 1 1 A 100 100 ASP HA H 100 5.240 5.139 0.101 1
1 1138 . 19 1 1 A 100 100 ASP CA C 100 49.900 51.187 -1.287 1
1 1139 . 19 1 1 A 100 100 ASP CB C 100 42.200 41.660 0.540 1
1 1140 . 19 1 1 A 100 100 ASP N N 100 118.200 120.381 -2.181 1
1 1141 . 19 1 1 A 101 101 PRO HA H 101 5.040 4.827 0.213 1
1 1148 . 19 1 1 A 101 101 PRO CA C 101 64.200 64.159 0.041 1
1 1149 . 19 1 1 A 101 101 PRO CB C 101 32.800 31.879 0.921 1
1 1152 . 19 1 1 A 102 102 SER H H 102 8.950 7.773 1.177 1
1 1153 . 19 1 1 A 102 102 SER HA H 102 4.530 4.646 -0.116 1
1 1156 . 19 1 1 A 102 102 SER CA C 102 59.300 59.181 0.119 1
1 1157 . 19 1 1 A 102 102 SER CB C 102 64.500 63.714 0.786 1
1 1158 . 19 1 1 A 102 102 SER N N 102 117.700 112.525 5.175 1
1 1159 . 19 1 1 A 103 103 LEU H H 103 6.850 7.406 -0.556 1
1 1160 . 19 1 1 A 103 103 LEU HA H 103 4.200 4.348 -0.148 1
1 1170 . 19 1 1 A 103 103 LEU CA C 103 53.700 54.274 -0.574 1
1 1171 . 19 1 1 A 103 103 LEU CB C 103 41.800 41.884 -0.084 1
1 1175 . 19 1 1 A 103 103 LEU N N 103 121.100 123.806 -2.706 1
1 1176 . 19 1 1 A 104 104 SER H H 104 8.080 8.658 -0.578 1
1 1177 . 19 1 1 A 104 104 SER HA H 104 4.310 4.879 -0.569 1
1 1180 . 19 1 1 A 104 104 SER CA C 104 60.300 57.834 2.466 1
1 1181 . 19 1 1 A 104 104 SER CB C 104 63.300 63.955 -0.655 1
1 1182 . 19 1 1 A 104 104 SER N N 104 116.100 118.269 -2.169 1
1 1183 . 19 1 1 A 105 105 TYR H H 105 8.790 9.370 -0.580 1
1 1184 . 19 1 1 A 105 105 TYR HA H 105 4.750 5.466 -0.716 1
1 1191 . 19 1 1 A 105 105 TYR CA C 105 57.100 56.583 0.517 1
1 1192 . 19 1 1 A 105 105 TYR CB C 105 37.700 40.656 -2.956 1
1 1195 . 19 1 1 A 105 105 TYR N N 105 122.700 125.889 -3.189 1
1 1196 . 19 1 1 A 106 106 LEU H H 106 8.750 8.999 -0.249 1
1 1197 . 19 1 1 A 106 106 LEU HA H 106 5.290 5.337 -0.047 1
1 1207 . 19 1 1 A 106 106 LEU CA C 106 56.000 53.509 2.491 1
1 1208 . 19 1 1 A 106 106 LEU CB C 106 43.400 44.259 -0.859 1
1 1212 . 19 1 1 A 106 106 LEU N N 106 125.200 124.097 1.103 1
1 1213 . 19 1 1 A 107 107 ILE H H 107 9.480 9.514 -0.034 1
1 1214 . 19 1 1 A 107 107 ILE HA H 107 4.630 4.677 -0.047 1
1 1224 . 19 1 1 A 107 107 ILE CA C 107 59.700 60.019 -0.319 1
1 1225 . 19 1 1 A 107 107 ILE CB C 107 40.500 39.477 1.023 1
1 1229 . 19 1 1 A 107 107 ILE N N 107 123.800 123.098 0.702 1
1 1230 . 19 1 1 A 108 108 ILE H H 108 7.820 9.114 -1.294 1
1 1231 . 19 1 1 A 108 108 ILE HA H 108 4.950 4.911 0.039 1
1 1241 . 19 1 1 A 108 108 ILE CA C 108 58.600 60.052 -1.452 1
1 1242 . 19 1 1 A 108 108 ILE CB C 108 41.700 39.392 2.308 1
1 1246 . 19 1 1 A 108 108 ILE N N 108 125.200 130.096 -4.896 1
1 1247 . 19 1 1 A 109 109 SER H H 109 9.780 8.668 1.112 1
1 1248 . 19 1 1 A 109 109 SER HA H 109 5.430 5.072 0.358 1
1 1251 . 19 1 1 A 109 109 SER CA C 109 56.400 56.412 -0.012 1
1 1252 . 19 1 1 A 109 109 SER CB C 109 64.900 64.584 0.316 1
1 1253 . 19 1 1 A 109 109 SER N N 109 120.300 121.917 -1.617 1
1 1254 . 19 1 1 A 110 110 LEU H H 110 8.110 8.647 -0.537 1
1 1255 . 19 1 1 A 110 110 LEU HA H 110 4.630 4.641 -0.011 1
1 1265 . 19 1 1 A 110 110 LEU CA C 110 53.300 54.463 -1.163 1
1 1266 . 19 1 1 A 110 110 LEU CB C 110 41.100 41.568 -0.468 1
1 1270 . 19 1 1 A 110 110 LEU N N 110 130.700 129.028 1.672 1
1 1271 . 19 1 1 A 111 111 ALA H H 111 7.390 7.857 -0.467 1
1 1272 . 19 1 1 A 111 111 ALA HA H 111 3.920 4.159 -0.239 1
1 1276 . 19 1 1 A 111 111 ALA CA C 111 55.200 54.249 0.951 1
1 1277 . 19 1 1 A 111 111 ALA CB C 111 17.900 19.107 -1.207 1
1 1278 . 19 1 1 A 111 111 ALA N N 111 121.000 123.032 -2.032 1
1 1279 . 19 1 1 A 112 112 GLU H H 112 8.290 7.876 0.414 1
1 1280 . 19 1 1 A 112 112 GLU HA H 112 4.830 4.688 0.142 1
1 1285 . 19 1 1 A 112 112 GLU CA C 112 52.600 53.527 -0.927 1
1 1286 . 19 1 1 A 112 112 GLU CB C 112 29.300 30.331 -1.031 1
1 1288 . 19 1 1 A 112 112 GLU N N 112 116.400 116.941 -0.541 1
1 1289 . 19 1 1 A 113 113 PRO HA H 113 3.940 4.465 -0.525 1
1 1296 . 19 1 1 A 113 113 PRO CA C 113 65.600 64.320 1.280 1
1 1297 . 19 1 1 A 113 113 PRO CB C 113 31.900 31.984 -0.084 1
1 1300 . 19 1 1 A 114 114 GLN H H 114 8.610 8.635 -0.025 1
1 1301 . 19 1 1 A 114 114 GLN HA H 114 4.250 4.130 0.120 1
1 1308 . 19 1 1 A 114 114 GLN CA C 114 56.100 57.937 -1.837 1
1 1309 . 19 1 1 A 114 114 GLN CB C 114 28.300 27.790 0.510 1
1 1311 . 19 1 1 A 114 114 GLN N N 114 113.500 115.426 -1.926 1
1 1313 . 19 1 1 A 115 115 LYS H H 115 8.040 7.764 0.276 1
1 1314 . 19 1 1 A 115 115 LYS HA H 115 4.620 4.739 -0.119 1
1 1323 . 19 1 1 A 115 115 LYS CA C 115 53.500 53.690 -0.190 1
1 1324 . 19 1 1 A 115 115 LYS CB C 115 33.400 33.226 0.174 1
1 1328 . 19 1 1 A 115 115 LYS N N 115 121.000 118.374 2.626 1
1 1329 . 19 1 1 A 116 116 PRO HA H 116 4.560 4.444 0.116 1
1 1336 . 19 1 1 A 116 116 PRO CA C 116 62.900 63.229 -0.329 1
1 1337 . 19 1 1 A 116 116 PRO CB C 116 32.500 32.096 0.404 1
1 1340 . 19 1 1 A 117 117 VAL H H 117 7.850 8.536 -0.686 1
1 1341 . 19 1 1 A 117 117 VAL HA H 117 4.360 4.258 0.102 1
1 1349 . 19 1 1 A 117 117 VAL CA C 117 61.200 61.714 -0.514 1
1 1350 . 19 1 1 A 117 117 VAL CB C 117 35.900 32.080 3.820 1
1 1353 . 19 1 1 A 117 117 VAL N N 117 120.600 123.514 -2.914 1
1 1354 . 19 1 1 A 118 118 CYS H H 118 8.820 8.988 -0.168 1
1 1355 . 19 1 1 A 118 118 CYS HA H 118 5.340 5.405 -0.065 1
1 1358 . 19 1 1 A 118 118 CYS CA C 118 56.400 57.058 -0.658 1
1 1359 . 19 1 1 A 118 118 CYS CB C 118 28.700 29.695 -0.995 1
1 1360 . 19 1 1 A 118 118 CYS N N 118 127.100 126.662 0.438 1
1 1361 . 19 1 1 A 119 119 LYS H H 119 8.530 8.662 -0.132 1
1 1362 . 19 1 1 A 119 119 LYS HA H 119 4.590 4.947 -0.357 1
1 1371 . 19 1 1 A 119 119 LYS CA C 119 54.900 54.748 0.152 1
1 1372 . 19 1 1 A 119 119 LYS CB C 119 39.600 36.810 2.790 1
1 1376 . 19 1 1 A 119 119 LYS N N 119 126.400 125.579 0.821 1
1 1377 . 19 1 1 A 120 120 SER H H 120 8.220 8.679 -0.459 1
1 1378 . 19 1 1 A 120 120 SER HA H 120 4.870 5.386 -0.516 1
1 1381 . 19 1 1 A 120 120 SER CA C 120 56.300 56.310 -0.010 1
1 1382 . 19 1 1 A 120 120 SER CB C 120 63.300 65.263 -1.963 1
1 1383 . 19 1 1 A 120 120 SER N N 120 114.500 116.976 -2.476 1
1 1384 . 19 1 1 A 121 121 PHE H H 121 8.450 9.517 -1.067 1
1 1385 . 19 1 1 A 121 121 PHE HA H 121 5.160 5.224 -0.064 1
1 1393 . 19 1 1 A 121 121 PHE CA C 121 57.200 56.249 0.951 1
1 1394 . 19 1 1 A 121 121 PHE CB C 121 42.700 42.449 0.251 1
1 1398 . 19 1 1 A 121 121 PHE N N 121 124.400 124.186 0.214 1
1 1399 . 19 1 1 A 122 122 LEU H H 122 9.070 9.842 -0.772 1
1 1400 . 19 1 1 A 122 122 LEU HA H 122 5.270 5.009 0.261 1
1 1410 . 19 1 1 A 122 122 LEU CA C 122 53.300 53.927 -0.627 1
1 1411 . 19 1 1 A 122 122 LEU CB C 122 42.200 41.722 0.478 1
1 1415 . 19 1 1 A 122 122 LEU N N 122 120.900 124.369 -3.469 1
1 1416 . 19 1 1 A 123 123 ILE H H 123 9.730 8.855 0.875 1
1 1417 . 19 1 1 A 123 123 ILE HA H 123 4.290 4.466 -0.176 1
1 1427 . 19 1 1 A 123 123 ILE CA C 123 61.400 60.661 0.739 1
1 1428 . 19 1 1 A 123 123 ILE CB C 123 38.000 37.099 0.901 1
1 1432 . 19 1 1 A 123 123 ILE N N 123 125.900 126.009 -0.109 1
1 1433 . 19 1 1 A 124 124 LYS H H 124 8.080 8.879 -0.799 1
1 1434 . 19 1 1 A 124 124 LYS HA H 124 4.720 4.662 0.058 1
1 1443 . 19 1 1 A 124 124 LYS CA C 124 54.100 54.452 -0.352 1
1 1444 . 19 1 1 A 124 124 LYS CB C 124 34.700 34.782 -0.082 1
1 1448 . 19 1 1 A 124 124 LYS N N 124 124.600 127.776 -3.176 1
1 1449 . 19 1 1 A 125 125 LYS H H 125 8.830 8.889 -0.059 1
1 1450 . 19 1 1 A 125 125 LYS HA H 125 4.000 3.913 0.087 1
1 1459 . 19 1 1 A 125 125 LYS CA C 125 59.000 59.760 -0.760 1
1 1460 . 19 1 1 A 125 125 LYS CB C 125 31.700 32.332 -0.632 1
1 1464 . 19 1 1 A 125 125 LYS N N 125 120.900 123.778 -2.878 1
1 1465 . 19 1 1 A 126 126 ASP H H 126 8.160 7.858 0.302 1
1 1466 . 19 1 1 A 126 126 ASP HA H 126 4.650 4.368 0.282 1
1 1469 . 19 1 1 A 126 126 ASP CA C 126 53.100 56.987 -3.887 1
1 1470 . 19 1 1 A 126 126 ASP CB C 126 40.300 41.535 -1.235 1
1 1471 . 19 1 1 A 126 126 ASP N N 126 113.200 118.830 -5.630 1
1 1472 . 19 1 1 A 127 127 GLY H H 127 7.370 7.529 -0.159 1
1 1473 . 19 1 1 A 127 127 GLY HA2 H 127 4.300 3.995 0.305 1
1 1474 . 19 1 1 A 127 127 GLY HA3 H 127 3.900 4.009 -0.109 1
1 1475 . 19 1 1 A 127 127 GLY CA C 127 45.200 45.845 -0.645 1
1 1476 . 19 1 1 A 127 127 GLY N N 127 107.600 103.038 4.562 1
1 1477 . 19 1 1 A 128 128 VAL H H 128 8.130 8.456 -0.326 1
1 1478 . 19 1 1 A 128 128 VAL HA H 128 4.900 5.165 -0.265 1
1 1486 . 19 1 1 A 128 128 VAL CA C 128 60.900 60.764 0.136 1
1 1487 . 19 1 1 A 128 128 VAL CB C 128 34.000 34.602 -0.602 1
1 1490 . 19 1 1 A 128 128 VAL N N 128 118.900 121.313 -2.413 1
1 1491 . 19 1 1 A 129 129 ASP H H 129 9.250 9.112 0.138 1
1 1492 . 19 1 1 A 129 129 ASP HA H 129 5.220 5.383 -0.163 1
1 1495 . 19 1 1 A 129 129 ASP CA C 129 52.300 52.838 -0.538 1
1 1496 . 19 1 1 A 129 129 ASP CB C 129 43.600 44.941 -1.341 1
1 1497 . 19 1 1 A 129 129 ASP N N 129 126.500 128.042 -1.542 1
1 1498 . 19 1 1 A 130 130 GLU H H 130 8.900 8.839 0.061 1
1 1499 . 19 1 1 A 130 130 GLU HA H 130 4.420 4.891 -0.471 1
1 1504 . 19 1 1 A 130 130 GLU CA C 130 56.400 55.681 0.719 1
1 1505 . 19 1 1 A 130 130 GLU CB C 130 29.800 30.615 -0.815 1
1 1507 . 19 1 1 A 130 130 GLU N N 130 124.000 124.405 -0.405 1
1 1508 . 19 1 1 A 131 131 GLU H H 131 8.860 8.713 0.147 1
1 1509 . 19 1 1 A 131 131 GLU HA H 131 4.430 4.818 -0.388 1
1 1514 . 19 1 1 A 131 131 GLU CA C 131 53.500 55.302 -1.802 1
1 1515 . 19 1 1 A 131 131 GLU CB C 131 32.500 31.629 0.871 1
1 1517 . 19 1 1 A 131 131 GLU N N 131 129.200 125.309 3.891 1
1 1518 . 19 1 1 A 132 132 GLU H H 132 8.610 8.690 -0.080 1
1 1519 . 19 1 1 A 132 132 GLU HA H 132 4.050 4.852 -0.802 1
1 1524 . 19 1 1 A 132 132 GLU CA C 132 57.100 55.458 1.642 1
1 1525 . 19 1 1 A 132 132 GLU CB C 132 30.100 31.478 -1.378 1
1 1527 . 19 1 1 A 132 132 GLU N N 132 126.400 124.846 1.554 1
1 1528 . 19 1 1 A 133 133 ILE H H 133 8.200 8.911 -0.711 1
1 1529 . 19 1 1 A 133 133 ILE HA H 133 4.740 4.759 -0.019 1
1 1539 . 19 1 1 A 133 133 ILE CA C 133 60.000 59.512 0.488 1
1 1540 . 19 1 1 A 133 133 ILE CB C 133 39.300 38.832 0.468 1
1 1544 . 19 1 1 A 133 133 ILE N N 133 124.500 126.774 -2.274 1
1 1545 . 19 1 1 A 134 134 ILE H H 134 9.000 9.726 -0.726 1
1 1546 . 19 1 1 A 134 134 ILE HA H 134 4.190 4.758 -0.568 1
1 1556 . 19 1 1 A 134 134 ILE CA C 134 59.000 60.340 -1.340 1
1 1557 . 19 1 1 A 134 134 ILE CB C 134 38.300 40.619 -2.319 1
1 1561 . 19 1 1 A 134 134 ILE N N 134 130.900 128.460 2.440 1
1 1562 . 19 1 1 A 135 135 LEU H H 135 8.360 8.865 -0.505 1
1 1563 . 19 1 1 A 135 135 LEU HA H 135 5.190 5.556 -0.366 1
1 1573 . 19 1 1 A 135 135 LEU CA C 135 52.700 53.149 -0.449 1
1 1574 . 19 1 1 A 135 135 LEU CB C 135 42.800 44.496 -1.696 1
1 1578 . 19 1 1 A 135 135 LEU N N 135 127.100 126.953 0.147 1
1 1579 . 19 1 1 A 136 136 LYS H H 136 8.790 8.635 0.155 1
1 1580 . 19 1 1 A 136 136 LYS HA H 136 4.330 4.782 -0.452 1
1 1589 . 19 1 1 A 136 136 LYS CA C 136 55.600 54.323 1.277 1
1 1590 . 19 1 1 A 136 136 LYS CB C 136 34.600 34.895 -0.295 1
1 1594 . 19 1 1 A 136 136 LYS N N 136 125.100 122.705 2.395 1
1 1595 . 19 1 1 A 137 137 GLU H H 137 8.850 8.730 0.120 1
1 1596 . 19 1 1 A 137 137 GLU HA H 137 4.240 4.191 0.049 1
1 1601 . 19 1 1 A 137 137 GLU CA C 137 57.600 58.308 -0.708 1
1 1602 . 19 1 1 A 137 137 GLU CB C 137 29.900 30.832 -0.932 1
1 1604 . 19 1 1 A 137 137 GLU N N 137 121.100 122.365 -1.265 1
1 1605 . 19 1 1 A 138 138 GLU H H 138 8.150 7.806 0.344 1
1 1606 . 19 1 1 A 138 138 GLU HA H 138 4.370 4.784 -0.414 1
1 1611 . 19 1 1 A 138 138 GLU CA C 138 55.800 55.156 0.644 1
1 1612 . 19 1 1 A 138 138 GLU CB C 138 30.700 33.080 -2.380 1
1 1614 . 19 1 1 A 138 138 GLU N N 138 119.300 119.116 0.184 1
1 1615 . 19 1 1 A 139 139 LEU H H 139 8.240 8.759 -0.519 1
1 1616 . 19 1 1 A 139 139 LEU HA H 139 4.180 4.506 -0.326 1
1 1626 . 19 1 1 A 139 139 LEU CA C 139 55.400 54.334 1.066 1
1 1627 . 19 1 1 A 139 139 LEU CB C 139 42.300 42.458 -0.158 1
1 1631 . 19 1 1 A 139 139 LEU N N 139 122.800 124.708 -1.908 1
1 1632 . 19 1 1 A 140 140 GLU H H 140 8.250 8.945 -0.695 1
1 1633 . 19 1 1 A 140 140 GLU HA H 140 4.150 4.281 -0.131 1
1 1638 . 19 1 1 A 140 140 GLU CA C 140 56.400 56.787 -0.387 1
1 1639 . 19 1 1 A 140 140 GLU CB C 140 29.900 30.084 -0.184 1
1 1641 . 19 1 1 A 140 140 GLU N N 140 120.700 121.570 -0.870 1
1 1642 . 19 1 1 A 141 141 HIS H H 141 8.400 7.729 0.671 1
1 13 . 20 1 1 A 2 2 ILE H H 2 8.780 8.651 0.129 1
1 14 . 20 1 1 A 2 2 ILE HA H 2 5.060 5.001 0.059 1
1 24 . 20 1 1 A 2 2 ILE CA C 2 58.500 58.922 -0.422 1
1 25 . 20 1 1 A 2 2 ILE CB C 2 41.300 40.670 0.630 1
1 29 . 20 1 1 A 2 2 ILE N N 2 124.600 121.348 3.252 1
1 30 . 20 1 1 A 3 3 THR H H 3 8.280 9.045 -0.765 1
1 31 . 20 1 1 A 3 3 THR HA H 3 5.350 5.302 0.048 1
1 36 . 20 1 1 A 3 3 THR CA C 3 60.900 61.566 -0.666 1
1 37 . 20 1 1 A 3 3 THR CB C 3 69.900 70.636 -0.736 1
1 39 . 20 1 1 A 3 3 THR N N 3 123.200 124.264 -1.064 1
1 40 . 20 1 1 A 4 4 LEU H H 4 8.710 9.076 -0.366 1
1 41 . 20 1 1 A 4 4 LEU HA H 4 5.040 5.017 0.023 1
1 51 . 20 1 1 A 4 4 LEU CA C 4 53.800 53.575 0.225 1
1 52 . 20 1 1 A 4 4 LEU CB C 4 45.800 45.716 0.084 1
1 56 . 20 1 1 A 4 4 LEU N N 4 127.600 121.662 5.938 1
1 57 . 20 1 1 A 5 5 THR H H 5 8.440 8.545 -0.105 1
1 58 . 20 1 1 A 5 5 THR HA H 5 5.040 5.003 0.037 1
1 63 . 20 1 1 A 5 5 THR CA C 5 59.300 60.383 -1.083 1
1 64 . 20 1 1 A 5 5 THR CB C 5 71.000 71.574 -0.574 1
1 66 . 20 1 1 A 5 5 THR N N 5 109.500 111.770 -2.270 1
1 67 . 20 1 1 A 6 6 LYS H H 6 8.730 9.015 -0.285 1
1 68 . 20 1 1 A 6 6 LYS HA H 6 3.810 3.952 -0.142 1
1 77 . 20 1 1 A 6 6 LYS CA C 6 60.000 59.037 0.963 1
1 78 . 20 1 1 A 6 6 LYS CB C 6 32.000 32.152 -0.152 1
1 82 . 20 1 1 A 6 6 LYS N N 6 121.500 119.986 1.514 1
1 83 . 20 1 1 A 7 7 LYS H H 7 8.290 7.825 0.465 1
1 84 . 20 1 1 A 7 7 LYS HA H 7 3.990 3.976 0.014 1
1 93 . 20 1 1 A 7 7 LYS CA C 7 59.200 59.934 -0.734 1
1 94 . 20 1 1 A 7 7 LYS CB C 7 32.400 32.093 0.307 1
1 98 . 20 1 1 A 7 7 LYS N N 7 118.800 119.588 -0.788 1
1 99 . 20 1 1 A 8 8 GLN H H 8 7.650 7.670 -0.020 1
1 100 . 20 1 1 A 8 8 GLN HA H 8 3.890 4.014 -0.124 1
1 107 . 20 1 1 A 8 8 GLN CA C 8 58.100 59.004 -0.904 1
1 108 . 20 1 1 A 8 8 GLN CB C 8 27.400 27.995 -0.595 1
1 110 . 20 1 1 A 8 8 GLN N N 8 119.800 118.430 1.370 1
1 112 . 20 1 1 A 9 9 MET H H 9 8.130 8.092 0.038 1
1 113 . 20 1 1 A 9 9 MET HA H 9 4.130 4.017 0.113 1
1 121 . 20 1 1 A 9 9 MET CA C 9 57.500 58.236 -0.736 1
1 122 . 20 1 1 A 9 9 MET CB C 9 30.900 31.870 -0.970 1
1 125 . 20 1 1 A 9 9 MET N N 9 118.300 119.952 -1.652 1
1 126 . 20 1 1 A 10 10 GLU H H 10 8.460 8.298 0.162 1
1 127 . 20 1 1 A 10 10 GLU HA H 10 3.890 3.982 -0.092 1
1 132 . 20 1 1 A 10 10 GLU CA C 10 59.100 59.437 -0.337 1
1 133 . 20 1 1 A 10 10 GLU CB C 10 28.500 29.019 -0.519 1
1 135 . 20 1 1 A 10 10 GLU N N 10 118.500 118.323 0.177 1
1 136 . 20 1 1 A 11 11 GLU H H 11 8.200 8.141 0.059 1
1 137 . 20 1 1 A 11 11 GLU HA H 11 4.070 4.040 0.030 1
1 142 . 20 1 1 A 11 11 GLU CA C 11 59.200 59.208 -0.008 1
1 143 . 20 1 1 A 11 11 GLU CB C 11 28.900 29.782 -0.882 1
1 145 . 20 1 1 A 11 11 GLU N N 11 120.800 120.969 -0.169 1
1 146 . 20 1 1 A 12 12 MET H H 12 7.780 8.173 -0.393 1
1 147 . 20 1 1 A 12 12 MET HA H 12 3.390 3.974 -0.584 1
1 155 . 20 1 1 A 12 12 MET CA C 12 60.600 58.445 2.155 1
1 156 . 20 1 1 A 12 12 MET CB C 12 33.900 32.767 1.133 1
1 159 . 20 1 1 A 12 12 MET N N 12 119.300 119.371 -0.071 1
1 160 . 20 1 1 A 13 13 LEU H H 13 8.340 8.657 -0.317 1
1 161 . 20 1 1 A 13 13 LEU HA H 13 3.770 3.999 -0.229 1
1 171 . 20 1 1 A 13 13 LEU CA C 13 58.000 57.908 0.092 1
1 172 . 20 1 1 A 13 13 LEU CB C 13 41.400 41.419 -0.019 1
1 176 . 20 1 1 A 13 13 LEU N N 13 118.600 119.748 -1.148 1
1 177 . 20 1 1 A 14 14 ALA H H 14 8.620 8.447 0.173 1
1 178 . 20 1 1 A 14 14 ALA HA H 14 4.100 4.086 0.014 1
1 182 . 20 1 1 A 14 14 ALA CA C 14 55.200 55.235 -0.035 1
1 183 . 20 1 1 A 14 14 ALA CB C 14 17.800 18.244 -0.444 1
1 184 . 20 1 1 A 14 14 ALA N N 14 121.500 121.425 0.075 1
1 185 . 20 1 1 A 15 15 HIS H H 15 7.780 7.899 -0.119 1
1 186 . 20 1 1 A 15 15 HIS HA H 15 4.460 4.267 0.193 1
1 190 . 20 1 1 A 15 15 HIS CA C 15 59.000 59.843 -0.843 1
1 191 . 20 1 1 A 15 15 HIS CB C 15 29.300 29.376 -0.076 1
1 193 . 20 1 1 A 15 15 HIS N N 15 116.700 118.094 -1.394 1
1 194 . 20 1 1 A 16 16 ALA H H 16 8.390 8.590 -0.200 1
1 195 . 20 1 1 A 16 16 ALA HA H 16 4.100 3.934 0.166 1
1 199 . 20 1 1 A 16 16 ALA CA C 16 54.500 55.361 -0.861 1
1 200 . 20 1 1 A 16 16 ALA CB C 16 18.200 18.366 -0.166 1
1 201 . 20 1 1 A 16 16 ALA N N 16 120.000 121.200 -1.200 1
1 202 . 20 1 1 A 17 17 ARG H H 17 8.820 8.429 0.391 1
1 203 . 20 1 1 A 17 17 ARG HA H 17 3.890 4.026 -0.136 1
1 210 . 20 1 1 A 17 17 ARG CA C 17 59.900 58.936 0.964 1
1 211 . 20 1 1 A 17 17 ARG CB C 17 30.100 30.070 0.030 1
1 214 . 20 1 1 A 17 17 ARG N N 17 118.900 117.197 1.703 1
1 215 . 20 1 1 A 18 18 GLN H H 18 8.130 7.726 0.404 1
1 216 . 20 1 1 A 18 18 GLN HA H 18 4.060 4.101 -0.041 1
1 223 . 20 1 1 A 18 18 GLN CA C 18 57.900 58.570 -0.670 1
1 224 . 20 1 1 A 18 18 GLN CB C 18 28.000 28.770 -0.770 1
1 226 . 20 1 1 A 18 18 GLN N N 18 118.100 119.334 -1.234 1
1 228 . 20 1 1 A 19 19 ALA H H 19 7.090 7.228 -0.138 1
1 229 . 20 1 1 A 19 19 ALA HA H 19 4.220 4.280 -0.060 1
1 233 . 20 1 1 A 19 19 ALA CA C 19 52.300 52.033 0.267 1
1 234 . 20 1 1 A 19 19 ALA CB C 19 20.600 19.510 1.090 1
1 235 . 20 1 1 A 19 19 ALA N N 19 117.600 119.696 -2.096 1
1 236 . 20 1 1 A 20 20 LEU H H 20 7.020 7.121 -0.101 1
1 237 . 20 1 1 A 20 20 LEU HA H 20 4.110 4.391 -0.281 1
1 247 . 20 1 1 A 20 20 LEU CA C 20 54.600 53.868 0.732 1
1 248 . 20 1 1 A 20 20 LEU CB C 20 40.400 41.342 -0.942 1
1 252 . 20 1 1 A 20 20 LEU N N 20 117.900 122.598 -4.698 1
1 253 . 20 1 1 A 21 21 PRO HA H 21 4.320 4.637 -0.317 1
1 260 . 20 1 1 A 21 21 PRO CA C 21 63.700 63.686 0.014 1
1 261 . 20 1 1 A 21 21 PRO CB C 21 35.000 32.099 2.901 1
1 264 . 20 1 1 A 22 22 ASN H H 22 8.690 8.189 0.501 1
1 265 . 20 1 1 A 22 22 ASN HA H 22 4.570 5.077 -0.507 1
1 270 . 20 1 1 A 22 22 ASN CA C 22 52.400 51.902 0.498 1
1 271 . 20 1 1 A 22 22 ASN CB C 22 40.000 40.939 -0.939 1
1 272 . 20 1 1 A 22 22 ASN N N 22 122.000 120.806 1.194 1
1 274 . 20 1 1 A 23 23 GLU H H 23 8.540 8.531 0.009 1
1 275 . 20 1 1 A 23 23 GLU HA H 23 4.050 4.542 -0.492 1
1 280 . 20 1 1 A 23 23 GLU CA C 23 57.300 57.571 -0.271 1
1 281 . 20 1 1 A 23 23 GLU CB C 23 29.000 30.453 -1.453 1
1 283 . 20 1 1 A 23 23 GLU N N 23 116.100 119.610 -3.510 1
1 284 . 20 1 1 A 24 24 ALA H H 24 8.390 8.451 -0.061 1
1 285 . 20 1 1 A 24 24 ALA HA H 24 5.040 4.962 0.078 1
1 289 . 20 1 1 A 24 24 ALA CA C 24 48.900 51.139 -2.239 1
1 290 . 20 1 1 A 24 24 ALA CB C 24 23.200 20.391 2.809 1
1 291 . 20 1 1 A 24 24 ALA N N 24 124.800 122.870 1.930 1
1 292 . 20 1 1 A 25 25 CYS H H 25 8.910 8.629 0.281 1
1 293 . 20 1 1 A 25 25 CYS HA H 25 5.000 5.525 -0.525 1
1 296 . 20 1 1 A 25 25 CYS CA C 25 55.000 56.829 -1.829 1
1 297 . 20 1 1 A 25 25 CYS CB C 25 32.600 31.055 1.545 1
1 298 . 20 1 1 A 25 25 CYS N N 25 111.700 121.993 -10.293 1
1 299 . 20 1 1 A 26 26 GLY H H 26 7.110 7.442 -0.332 1
1 300 . 20 1 1 A 26 26 GLY HA2 H 26 3.820 3.766 0.054 1
1 301 . 20 1 1 A 26 26 GLY HA3 H 26 4.070 4.075 -0.005 1
1 302 . 20 1 1 A 26 26 GLY CA C 26 46.500 45.735 0.765 1
1 303 . 20 1 1 A 26 26 GLY N N 26 103.200 107.009 -3.809 1
1 304 . 20 1 1 A 27 27 LEU H H 27 8.830 9.023 -0.193 1
1 305 . 20 1 1 A 27 27 LEU HA H 27 5.200 5.259 -0.059 1
1 315 . 20 1 1 A 27 27 LEU CA C 27 53.200 53.283 -0.083 1
1 316 . 20 1 1 A 27 27 LEU CB C 27 46.600 45.549 1.051 1
1 320 . 20 1 1 A 27 27 LEU N N 27 116.700 121.723 -5.023 1
1 321 . 20 1 1 A 28 28 LEU H H 28 8.060 8.826 -0.766 1
1 322 . 20 1 1 A 28 28 LEU HA H 28 5.200 5.281 -0.081 1
1 332 . 20 1 1 A 28 28 LEU CA C 28 53.400 52.880 0.520 1
1 333 . 20 1 1 A 28 28 LEU CB C 28 44.900 44.765 0.135 1
1 337 . 20 1 1 A 28 28 LEU N N 28 118.200 121.756 -3.556 1
1 338 . 20 1 1 A 29 29 GLY H H 29 9.210 9.015 0.195 1
1 339 . 20 1 1 A 29 29 GLY HA2 H 29 3.750 4.293 -0.543 1
1 340 . 20 1 1 A 29 29 GLY HA3 H 29 5.800 4.387 1.413 1
1 341 . 20 1 1 A 29 29 GLY CA C 29 43.600 44.529 -0.929 1
1 342 . 20 1 1 A 29 29 GLY N N 29 109.500 112.301 -2.801 1
1 343 . 20 1 1 A 30 30 GLY H H 30 9.520 8.560 0.960 1
1 344 . 20 1 1 A 30 30 GLY HA2 H 30 3.210 3.637 -0.427 1
1 345 . 20 1 1 A 30 30 GLY HA3 H 30 4.800 4.144 0.656 1
1 346 . 20 1 1 A 30 30 GLY CA C 30 47.500 45.948 1.552 1
1 347 . 20 1 1 A 30 30 GLY N N 30 111.700 109.749 1.951 1
1 348 . 20 1 1 A 31 31 ARG H H 31 8.900 8.616 0.284 1
1 349 . 20 1 1 A 31 31 ARG HA H 31 5.170 5.150 0.020 1
1 356 . 20 1 1 A 31 31 ARG CA C 31 54.200 54.618 -0.418 1
1 357 . 20 1 1 A 31 31 ARG CB C 31 34.200 33.547 0.653 1
1 360 . 20 1 1 A 31 31 ARG N N 31 123.000 122.391 0.609 1
1 361 . 20 1 1 A 32 32 ARG H H 32 9.070 9.061 0.009 1
1 362 . 20 1 1 A 32 32 ARG HA H 32 5.140 5.403 -0.263 1
1 369 . 20 1 1 A 32 32 ARG CA C 32 54.700 54.855 -0.155 1
1 370 . 20 1 1 A 32 32 ARG CB C 32 33.700 32.340 1.360 1
1 373 . 20 1 1 A 32 32 ARG N N 32 121.500 121.566 -0.066 1
1 374 . 20 1 1 A 33 33 ASP H H 33 8.640 9.021 -0.381 1
1 375 . 20 1 1 A 33 33 ASP HA H 33 4.850 5.035 -0.185 1
1 378 . 20 1 1 A 33 33 ASP CA C 33 53.400 53.255 0.145 1
1 379 . 20 1 1 A 33 33 ASP CB C 33 42.100 41.604 0.496 1
1 380 . 20 1 1 A 33 33 ASP N N 33 124.200 124.335 -0.135 1
1 381 . 20 1 1 A 34 34 GLY H H 34 9.020 7.462 1.558 1
1 382 . 20 1 1 A 34 34 GLY HA2 H 34 3.670 4.094 -0.424 1
1 383 . 20 1 1 A 34 34 GLY HA3 H 34 4.000 4.097 -0.097 1
1 384 . 20 1 1 A 34 34 GLY CA C 34 47.200 45.327 1.873 1
1 385 . 20 1 1 A 34 34 GLY N N 34 115.900 107.249 8.651 1
1 386 . 20 1 1 A 35 35 ASP H H 35 9.070 8.796 0.274 1
1 387 . 20 1 1 A 35 35 ASP HA H 35 4.650 4.706 -0.056 1
1 390 . 20 1 1 A 35 35 ASP CA C 35 54.800 54.526 0.274 1
1 391 . 20 1 1 A 35 35 ASP CB C 35 41.000 42.308 -1.308 1
1 392 . 20 1 1 A 35 35 ASP N N 35 127.300 126.469 0.831 1
1 393 . 20 1 1 A 36 36 ASP H H 36 8.070 7.551 0.519 1
1 394 . 20 1 1 A 36 36 ASP HA H 36 4.950 4.315 0.635 1
1 397 . 20 1 1 A 36 36 ASP CA C 36 53.700 53.830 -0.130 1
1 398 . 20 1 1 A 36 36 ASP CB C 36 41.700 40.989 0.711 1
1 399 . 20 1 1 A 36 36 ASP N N 36 120.600 118.024 2.576 1
1 400 . 20 1 1 A 37 37 ARG H H 37 8.070 7.959 0.111 1
1 401 . 20 1 1 A 37 37 ARG HA H 37 4.850 5.068 -0.218 1
1 408 . 20 1 1 A 37 37 ARG CA C 37 55.400 54.250 1.150 1
1 409 . 20 1 1 A 37 37 ARG CB C 37 32.900 32.330 0.570 1
1 412 . 20 1 1 A 37 37 ARG N N 37 120.800 121.978 -1.178 1
1 413 . 20 1 1 A 38 38 TRP H H 38 9.380 9.587 -0.207 1
1 414 . 20 1 1 A 38 38 TRP HA H 38 4.840 5.534 -0.694 1
1 423 . 20 1 1 A 38 38 TRP CA C 38 57.000 55.687 1.313 1
1 424 . 20 1 1 A 38 38 TRP CB C 38 30.100 31.405 -1.305 1
1 430 . 20 1 1 A 38 38 TRP N N 38 124.900 123.731 1.169 1
1 432 . 20 1 1 A 39 39 VAL H H 39 8.450 9.467 -1.017 1
1 433 . 20 1 1 A 39 39 VAL HA H 39 3.390 4.098 -0.708 1
1 441 . 20 1 1 A 39 39 VAL CA C 39 64.500 62.837 1.663 1
1 442 . 20 1 1 A 39 39 VAL CB C 39 31.500 31.166 0.334 1
1 445 . 20 1 1 A 39 39 VAL N N 39 124.400 125.327 -0.927 1
1 446 . 20 1 1 A 40 40 GLU H H 40 9.080 8.645 0.435 1
1 447 . 20 1 1 A 40 40 GLU HA H 40 4.350 4.424 -0.074 1
1 452 . 20 1 1 A 40 40 GLU CA C 40 54.900 57.332 -2.432 1
1 453 . 20 1 1 A 40 40 GLU CB C 40 29.500 31.157 -1.657 1
1 455 . 20 1 1 A 40 40 GLU N N 40 124.200 127.107 -2.907 1
1 456 . 20 1 1 A 41 41 ARG H H 41 7.610 7.106 0.504 1
1 457 . 20 1 1 A 41 41 ARG HA H 41 4.070 4.683 -0.613 1
1 464 . 20 1 1 A 41 41 ARG CA C 41 56.800 55.092 1.708 1
1 465 . 20 1 1 A 41 41 ARG CB C 41 33.600 32.749 0.851 1
1 468 . 20 1 1 A 41 41 ARG N N 41 120.000 120.652 -0.652 1
1 469 . 20 1 1 A 42 42 VAL H H 42 8.460 8.688 -0.228 1
1 470 . 20 1 1 A 42 42 VAL HA H 42 4.300 4.500 -0.200 1
1 478 . 20 1 1 A 42 42 VAL CA C 42 60.900 61.806 -0.906 1
1 479 . 20 1 1 A 42 42 VAL CB C 42 32.900 32.004 0.896 1
1 482 . 20 1 1 A 42 42 VAL N N 42 125.600 127.016 -1.416 1
1 483 . 20 1 1 A 43 43 TYR H H 43 9.070 9.085 -0.015 1
1 484 . 20 1 1 A 43 43 TYR HA H 43 4.930 5.089 -0.159 1
1 491 . 20 1 1 A 43 43 TYR CA C 43 54.600 55.399 -0.799 1
1 492 . 20 1 1 A 43 43 TYR CB C 43 38.500 39.014 -0.514 1
1 495 . 20 1 1 A 43 43 TYR N N 43 124.800 126.984 -2.184 1
1 496 . 20 1 1 A 44 44 PRO HA H 44 4.260 4.495 -0.235 1
1 503 . 20 1 1 A 44 44 PRO CA C 44 63.200 62.398 0.802 1
1 504 . 20 1 1 A 44 44 PRO CB C 44 30.100 30.256 -0.156 1
1 507 . 20 1 1 A 45 45 LEU H H 45 8.270 7.909 0.361 1
1 508 . 20 1 1 A 45 45 LEU HA H 45 4.930 4.518 0.412 1
1 518 . 20 1 1 A 45 45 LEU CA C 45 53.800 54.360 -0.560 1
1 519 . 20 1 1 A 45 45 LEU CB C 45 45.600 43.459 2.141 1
1 523 . 20 1 1 A 45 45 LEU N N 45 125.800 123.991 1.809 1
1 524 . 20 1 1 A 46 46 ASN H H 46 9.120 8.372 0.748 1
1 525 . 20 1 1 A 46 46 ASN HA H 46 4.630 4.980 -0.350 1
1 530 . 20 1 1 A 46 46 ASN CA C 46 56.000 53.463 2.537 1
1 531 . 20 1 1 A 46 46 ASN CB C 46 39.000 39.492 -0.492 1
1 532 . 20 1 1 A 46 46 ASN N N 46 119.000 123.126 -4.126 1
1 534 . 20 1 1 A 47 47 ASN H H 47 8.460 9.087 -0.627 1
1 535 . 20 1 1 A 47 47 ASN HA H 47 5.260 4.896 0.364 1
1 540 . 20 1 1 A 47 47 ASN CA C 47 51.200 53.472 -2.272 1
1 541 . 20 1 1 A 47 47 ASN CB C 47 37.700 38.663 -0.963 1
1 542 . 20 1 1 A 47 47 ASN N N 47 118.500 122.555 -4.055 1
1 544 . 20 1 1 A 48 48 LEU H H 48 8.890 8.738 0.152 1
1 545 . 20 1 1 A 48 48 LEU HA H 48 4.070 3.922 0.148 1
1 555 . 20 1 1 A 48 48 LEU CA C 48 56.800 58.279 -1.479 1
1 556 . 20 1 1 A 48 48 LEU CB C 48 41.600 41.906 -0.306 1
1 560 . 20 1 1 A 48 48 LEU N N 48 127.100 126.371 0.729 1
1 561 . 20 1 1 A 49 49 ASP H H 49 7.820 7.945 -0.125 1
1 562 . 20 1 1 A 49 49 ASP HA H 49 4.430 4.525 -0.095 1
1 565 . 20 1 1 A 49 49 ASP CA C 49 54.500 56.830 -2.330 1
1 566 . 20 1 1 A 49 49 ASP CB C 49 40.100 41.791 -1.691 1
1 567 . 20 1 1 A 49 49 ASP N N 49 115.700 115.733 -0.033 1
1 568 . 20 1 1 A 50 50 GLN H H 50 7.770 8.098 -0.328 1
1 569 . 20 1 1 A 50 50 GLN HA H 50 3.880 4.018 -0.138 1
1 576 . 20 1 1 A 50 50 GLN CA C 50 56.000 56.785 -0.785 1
1 577 . 20 1 1 A 50 50 GLN CB C 50 27.400 27.232 0.168 1
1 579 . 20 1 1 A 50 50 GLN N N 50 115.300 119.270 -3.970 1
1 581 . 20 1 1 A 51 51 SER H H 51 6.370 7.782 -1.412 1
1 582 . 20 1 1 A 51 51 SER HA H 51 5.210 4.520 0.690 1
1 585 . 20 1 1 A 51 51 SER CA C 51 53.700 57.359 -3.659 1
1 586 . 20 1 1 A 51 51 SER CB C 51 66.100 62.956 3.144 1
1 587 . 20 1 1 A 51 51 SER N N 51 109.000 115.149 -6.149 1
1 588 . 20 1 1 A 52 52 PRO HA H 52 4.830 4.579 0.251 1
1 595 . 20 1 1 A 52 52 PRO CA C 52 64.000 64.331 -0.331 1
1 596 . 20 1 1 A 52 52 PRO CB C 52 33.300 31.777 1.523 1
1 599 . 20 1 1 A 53 53 GLU H H 53 8.320 8.251 0.069 1
1 600 . 20 1 1 A 53 53 GLU HA H 53 4.510 4.334 0.176 1
1 605 . 20 1 1 A 53 53 GLU CA C 53 55.700 58.206 -2.506 1
1 606 . 20 1 1 A 53 53 GLU CB C 53 32.400 31.181 1.219 1
1 608 . 20 1 1 A 53 53 GLU N N 53 113.900 116.515 -2.615 1
1 609 . 20 1 1 A 54 54 HIS H H 54 7.070 7.754 -0.684 1
1 610 . 20 1 1 A 54 54 HIS HA H 54 4.750 5.431 -0.681 1
1 614 . 20 1 1 A 54 54 HIS CA C 54 54.100 54.707 -0.607 1
1 615 . 20 1 1 A 54 54 HIS CB C 54 31.100 33.154 -2.054 1
1 617 . 20 1 1 A 54 54 HIS N N 54 112.500 115.371 -2.871 1
1 618 . 20 1 1 A 55 55 PHE H H 55 7.900 8.929 -1.029 1
1 619 . 20 1 1 A 55 55 PHE HA H 55 5.580 5.628 -0.048 1
1 627 . 20 1 1 A 55 55 PHE CA C 55 55.400 55.675 -0.275 1
1 628 . 20 1 1 A 55 55 PHE CB C 55 41.200 42.766 -1.566 1
1 632 . 20 1 1 A 55 55 PHE N N 55 114.900 117.334 -2.434 1
1 633 . 20 1 1 A 56 56 SER H H 56 7.690 8.902 -1.212 1
1 634 . 20 1 1 A 56 56 SER HA H 56 4.300 4.778 -0.478 1
1 637 . 20 1 1 A 56 56 SER CA C 56 57.800 57.597 0.203 1
1 638 . 20 1 1 A 56 56 SER CB C 56 65.300 66.877 -1.577 1
1 639 . 20 1 1 A 56 56 SER N N 56 112.900 115.273 -2.373 1
1 640 . 20 1 1 A 57 57 MET H H 57 8.750 8.968 -0.218 1
1 641 . 20 1 1 A 57 57 MET HA H 57 4.860 5.181 -0.321 1
1 649 . 20 1 1 A 57 57 MET CA C 57 54.400 54.097 0.303 1
1 650 . 20 1 1 A 57 57 MET CB C 57 36.000 35.597 0.403 1
1 653 . 20 1 1 A 57 57 MET N N 57 120.000 123.221 -3.221 1
1 654 . 20 1 1 A 58 58 ASP H H 58 10.180 8.604 1.576 1
1 655 . 20 1 1 A 58 58 ASP HA H 58 4.740 4.873 -0.133 1
1 658 . 20 1 1 A 58 58 ASP CA C 58 51.700 51.788 -0.088 1
1 659 . 20 1 1 A 58 58 ASP CB C 58 42.700 42.545 0.155 1
1 660 . 20 1 1 A 58 58 ASP N N 58 126.600 122.811 3.789 1
1 661 . 20 1 1 A 59 59 PRO HA H 59 4.400 4.347 0.053 1
1 668 . 20 1 1 A 59 59 PRO CA C 59 65.300 64.723 0.577 1
1 669 . 20 1 1 A 59 59 PRO CB C 59 32.300 32.190 0.110 1
1 672 . 20 1 1 A 60 60 ARG H H 60 8.520 8.200 0.320 1
1 673 . 20 1 1 A 60 60 ARG HA H 60 4.120 4.082 0.038 1
1 680 . 20 1 1 A 60 60 ARG CA C 60 59.200 59.294 -0.094 1
1 681 . 20 1 1 A 60 60 ARG CB C 60 29.500 29.776 -0.276 1
1 684 . 20 1 1 A 60 60 ARG N N 60 118.700 118.455 0.245 1
1 685 . 20 1 1 A 61 61 GLU H H 61 7.730 8.231 -0.501 1
1 686 . 20 1 1 A 61 61 GLU HA H 61 4.190 4.125 0.065 1
1 691 . 20 1 1 A 61 61 GLU CA C 61 59.000 59.012 -0.012 1
1 692 . 20 1 1 A 61 61 GLU CB C 61 30.200 29.604 0.596 1
1 694 . 20 1 1 A 61 61 GLU N N 61 119.800 118.529 1.271 1
1 695 . 20 1 1 A 62 62 GLN H H 62 8.220 7.861 0.359 1
1 696 . 20 1 1 A 62 62 GLN HA H 62 3.830 4.033 -0.203 1
1 703 . 20 1 1 A 62 62 GLN CA C 62 59.900 58.553 1.347 1
1 704 . 20 1 1 A 62 62 GLN CB C 62 29.000 28.112 0.888 1
1 706 . 20 1 1 A 62 62 GLN N N 62 118.700 119.858 -1.158 1
1 708 . 20 1 1 A 63 63 LEU H H 63 7.950 8.063 -0.113 1
1 709 . 20 1 1 A 63 63 LEU HA H 63 4.110 4.036 0.074 1
1 719 . 20 1 1 A 63 63 LEU CA C 63 58.000 58.178 -0.178 1
1 720 . 20 1 1 A 63 63 LEU CB C 63 41.400 41.492 -0.092 1
1 724 . 20 1 1 A 63 63 LEU N N 63 119.200 121.208 -2.008 1
1 725 . 20 1 1 A 64 64 THR H H 64 7.910 7.847 0.063 1
1 726 . 20 1 1 A 64 64 THR HA H 64 3.790 3.924 -0.134 1
1 731 . 20 1 1 A 64 64 THR CA C 64 66.800 66.361 0.439 1
1 732 . 20 1 1 A 64 64 THR CB C 64 68.700 68.294 0.406 1
1 734 . 20 1 1 A 64 64 THR N N 64 116.000 114.480 1.520 1
1 735 . 20 1 1 A 65 65 ALA H H 65 7.520 7.528 -0.008 1
1 736 . 20 1 1 A 65 65 ALA HA H 65 3.970 4.123 -0.153 1
1 740 . 20 1 1 A 65 65 ALA CA C 65 55.100 55.016 0.084 1
1 741 . 20 1 1 A 65 65 ALA CB C 65 17.900 18.069 -0.169 1
1 742 . 20 1 1 A 65 65 ALA N N 65 125.200 123.696 1.504 1
1 743 . 20 1 1 A 66 66 VAL H H 66 8.420 8.173 0.247 1
1 744 . 20 1 1 A 66 66 VAL HA H 66 3.840 3.272 0.568 1
1 752 . 20 1 1 A 66 66 VAL CA C 66 66.200 67.059 -0.859 1
1 753 . 20 1 1 A 66 66 VAL CB C 66 31.700 31.371 0.329 1
1 756 . 20 1 1 A 66 66 VAL N N 66 119.300 118.894 0.406 1
1 757 . 20 1 1 A 67 67 LYS H H 67 8.570 8.057 0.513 1
1 758 . 20 1 1 A 67 67 LYS HA H 67 3.960 3.925 0.035 1
1 767 . 20 1 1 A 67 67 LYS CA C 67 60.300 59.234 1.066 1
1 768 . 20 1 1 A 67 67 LYS CB C 67 32.200 32.207 -0.007 1
1 772 . 20 1 1 A 67 67 LYS N N 67 120.600 119.923 0.677 1
1 773 . 20 1 1 A 68 68 ASP H H 68 7.660 7.704 -0.044 1
1 774 . 20 1 1 A 68 68 ASP HA H 68 4.290 4.429 -0.139 1
1 777 . 20 1 1 A 68 68 ASP CA C 68 58.300 57.671 0.629 1
1 778 . 20 1 1 A 68 68 ASP CB C 68 42.700 41.029 1.671 1
1 779 . 20 1 1 A 68 68 ASP N N 68 121.500 119.278 2.222 1
1 780 . 20 1 1 A 69 69 MET H H 69 8.620 8.224 0.396 1
1 781 . 20 1 1 A 69 69 MET HA H 69 4.250 4.597 -0.347 1
1 789 . 20 1 1 A 69 69 MET CA C 69 60.300 58.733 1.567 1
1 790 . 20 1 1 A 69 69 MET CB C 69 32.700 31.966 0.734 1
1 793 . 20 1 1 A 69 69 MET N N 69 120.100 119.425 0.675 1
1 794 . 20 1 1 A 70 70 ARG H H 70 8.500 8.428 0.072 1
1 795 . 20 1 1 A 70 70 ARG HA H 70 4.110 4.347 -0.237 1
1 802 . 20 1 1 A 70 70 ARG CA C 70 59.200 58.919 0.281 1
1 803 . 20 1 1 A 70 70 ARG CB C 70 29.600 29.392 0.208 1
1 806 . 20 1 1 A 70 70 ARG N N 70 119.000 120.128 -1.128 1
1 807 . 20 1 1 A 71 71 LYS H H 71 8.020 7.900 0.120 1
1 808 . 20 1 1 A 71 71 LYS HA H 71 3.970 4.035 -0.065 1
1 817 . 20 1 1 A 71 71 LYS CA C 71 58.800 58.976 -0.176 1
1 818 . 20 1 1 A 71 71 LYS CB C 71 32.000 31.970 0.030 1
1 822 . 20 1 1 A 71 71 LYS N N 71 121.100 119.725 1.375 1
1 823 . 20 1 1 A 72 72 ASN H H 72 6.960 7.486 -0.526 1
1 824 . 20 1 1 A 72 72 ASN HA H 72 4.090 4.649 -0.559 1
1 829 . 20 1 1 A 72 72 ASN CA C 72 53.300 52.943 0.357 1
1 830 . 20 1 1 A 72 72 ASN CB C 72 39.000 38.806 0.194 1
1 831 . 20 1 1 A 72 72 ASN N N 72 114.600 115.541 -0.941 1
1 833 . 20 1 1 A 73 73 GLY H H 73 7.560 7.728 -0.168 1
1 834 . 20 1 1 A 73 73 GLY HA2 H 73 3.890 3.763 0.127 1
1 835 . 20 1 1 A 73 73 GLY HA3 H 73 3.760 3.887 -0.127 1
1 836 . 20 1 1 A 73 73 GLY CA C 73 45.900 45.463 0.437 1
1 837 . 20 1 1 A 73 73 GLY N N 73 106.700 106.693 0.007 1
1 838 . 20 1 1 A 74 74 TRP H H 74 8.240 8.026 0.214 1
1 839 . 20 1 1 A 74 74 TRP HA H 74 5.260 5.245 0.015 1
1 848 . 20 1 1 A 74 74 TRP CA C 74 53.100 55.808 -2.708 1
1 849 . 20 1 1 A 74 74 TRP CB C 74 31.400 34.098 -2.698 1
1 855 . 20 1 1 A 74 74 TRP N N 74 120.700 119.306 1.394 1
1 857 . 20 1 1 A 75 75 VAL H H 75 9.410 9.310 0.100 1
1 858 . 20 1 1 A 75 75 VAL HA H 75 4.800 4.928 -0.128 1
1 866 . 20 1 1 A 75 75 VAL CA C 75 58.500 59.056 -0.556 1
1 867 . 20 1 1 A 75 75 VAL CB C 75 35.500 35.545 -0.045 1
1 870 . 20 1 1 A 75 75 VAL N N 75 112.100 116.480 -4.380 1
1 871 . 20 1 1 A 76 76 MET H H 76 8.800 8.731 0.069 1
1 872 . 20 1 1 A 76 76 MET HA H 76 4.650 4.493 0.157 1
1 880 . 20 1 1 A 76 76 MET CA C 76 56.900 55.903 0.997 1
1 881 . 20 1 1 A 76 76 MET CB C 76 32.600 33.087 -0.487 1
1 884 . 20 1 1 A 76 76 MET N N 76 122.400 122.486 -0.086 1
1 885 . 20 1 1 A 77 77 LEU H H 77 8.780 9.416 -0.636 1
1 886 . 20 1 1 A 77 77 LEU HA H 77 4.480 4.803 -0.323 1
1 896 . 20 1 1 A 77 77 LEU CA C 77 54.100 54.651 -0.551 1
1 897 . 20 1 1 A 77 77 LEU CB C 77 44.700 43.181 1.519 1
1 901 . 20 1 1 A 77 77 LEU N N 77 125.600 127.153 -1.553 1
1 902 . 20 1 1 A 78 78 GLY H H 78 7.590 7.449 0.141 1
1 903 . 20 1 1 A 78 78 GLY HA2 H 78 5.150 4.039 1.111 1
1 904 . 20 1 1 A 78 78 GLY HA3 H 78 3.660 4.046 -0.386 1
1 905 . 20 1 1 A 78 78 GLY CA C 78 45.700 44.541 1.159 1
1 906 . 20 1 1 A 78 78 GLY N N 78 102.900 105.771 -2.871 1
1 907 . 20 1 1 A 79 79 ASN H H 79 8.520 8.443 0.077 1
1 908 . 20 1 1 A 79 79 ASN HA H 79 5.230 5.632 -0.402 1
1 913 . 20 1 1 A 79 79 ASN CA C 79 51.100 51.765 -0.665 1
1 914 . 20 1 1 A 79 79 ASN CB C 79 41.500 42.324 -0.824 1
1 915 . 20 1 1 A 79 79 ASN N N 79 115.600 117.382 -1.782 1
1 917 . 20 1 1 A 80 80 PHE H H 80 8.410 8.279 0.131 1
1 918 . 20 1 1 A 80 80 PHE HA H 80 6.120 5.949 0.171 1
1 926 . 20 1 1 A 80 80 PHE CA C 80 54.500 55.660 -1.160 1
1 927 . 20 1 1 A 80 80 PHE CB C 80 44.800 43.062 1.738 1
1 931 . 20 1 1 A 80 80 PHE N N 80 113.100 116.306 -3.206 1
1 932 . 20 1 1 A 81 81 HIS H H 81 8.310 9.197 -0.887 1
1 933 . 20 1 1 A 81 81 HIS HA H 81 5.300 5.607 -0.307 1
1 938 . 20 1 1 A 81 81 HIS CA C 81 54.400 54.473 -0.073 1
1 939 . 20 1 1 A 81 81 HIS CB C 81 30.300 31.910 -1.610 1
1 942 . 20 1 1 A 81 81 HIS N N 81 111.600 115.681 -4.081 1
1 943 . 20 1 1 A 82 82 SER H H 82 8.390 8.529 -0.139 1
1 944 . 20 1 1 A 82 82 SER HA H 82 5.510 5.354 0.156 1
1 947 . 20 1 1 A 82 82 SER CA C 82 54.800 55.886 -1.086 1
1 948 . 20 1 1 A 82 82 SER CB C 82 66.700 65.708 0.992 1
1 949 . 20 1 1 A 82 82 SER N N 82 112.700 116.904 -4.204 1
1 950 . 20 1 1 A 83 83 HIS H H 83 8.890 8.711 0.179 1
1 951 . 20 1 1 A 83 83 HIS HA H 83 5.480 4.957 0.523 1
1 956 . 20 1 1 A 83 83 HIS CA C 83 49.900 53.883 -3.983 1
1 957 . 20 1 1 A 83 83 HIS CB C 83 32.000 31.823 0.177 1
1 960 . 20 1 1 A 83 83 HIS N N 83 115.200 123.563 -8.363 1
1 961 . 20 1 1 A 84 84 PRO HA H 84 3.940 4.435 -0.495 1
1 968 . 20 1 1 A 84 84 PRO CA C 84 65.600 65.176 0.424 1
1 969 . 20 1 1 A 84 84 PRO CB C 84 33.300 32.118 1.182 1
1 972 . 20 1 1 A 85 85 ALA H H 85 8.410 8.334 0.076 1
1 973 . 20 1 1 A 85 85 ALA HA H 85 4.670 4.504 0.166 1
1 977 . 20 1 1 A 85 85 ALA CA C 85 51.300 51.781 -0.481 1
1 978 . 20 1 1 A 85 85 ALA CB C 85 21.200 19.217 1.983 1
1 979 . 20 1 1 A 85 85 ALA N N 85 112.800 118.812 -6.012 1
1 980 . 20 1 1 A 86 86 THR H H 86 7.070 7.536 -0.466 1
1 981 . 20 1 1 A 86 86 THR HA H 86 4.960 5.078 -0.118 1
1 986 . 20 1 1 A 86 86 THR CA C 86 58.600 58.610 -0.010 1
1 987 . 20 1 1 A 86 86 THR CB C 86 69.500 70.653 -1.153 1
1 989 . 20 1 1 A 86 86 THR N N 86 109.200 107.959 1.241 1
1 990 . 20 1 1 A 87 87 PRO HA H 87 4.630 4.760 -0.130 1
1 997 . 20 1 1 A 87 87 PRO CA C 87 62.700 62.569 0.131 1
1 998 . 20 1 1 A 87 87 PRO CB C 87 33.500 33.259 0.241 1
1 1001 . 20 1 1 A 88 88 ALA H H 88 9.760 8.402 1.358 1
1 1002 . 20 1 1 A 88 88 ALA HA H 88 3.960 4.510 -0.550 1
1 1006 . 20 1 1 A 88 88 ALA CA C 88 51.700 51.479 0.221 1
1 1007 . 20 1 1 A 88 88 ALA CB C 88 16.300 17.738 -1.438 1
1 1008 . 20 1 1 A 88 88 ALA N N 88 127.600 122.799 4.801 1
1 1009 . 20 1 1 A 89 89 ARG H H 89 7.570 7.754 -0.184 1
1 1010 . 20 1 1 A 89 89 ARG HA H 89 4.280 4.285 -0.005 1
1 1017 . 20 1 1 A 89 89 ARG CA C 89 53.200 52.571 0.629 1
1 1018 . 20 1 1 A 89 89 ARG CB C 89 31.300 32.980 -1.680 1
1 1021 . 20 1 1 A 89 89 ARG N N 89 118.300 119.269 -0.969 1
1 1022 . 20 1 1 A 90 90 PRO HA H 90 4.510 4.498 0.012 1
1 1029 . 20 1 1 A 90 90 PRO CA C 90 62.900 62.869 0.031 1
1 1030 . 20 1 1 A 90 90 PRO CB C 90 31.300 31.905 -0.605 1
1 1033 . 20 1 1 A 91 91 SER H H 91 9.630 8.436 1.194 1
1 1034 . 20 1 1 A 91 91 SER HA H 91 4.600 4.692 -0.092 1
1 1037 . 20 1 1 A 91 91 SER CA C 91 56.500 57.474 -0.974 1
1 1038 . 20 1 1 A 91 91 SER CB C 91 66.000 64.624 1.376 1
1 1039 . 20 1 1 A 91 91 SER N N 91 122.500 117.604 4.896 1
1 1040 . 20 1 1 A 92 92 ALA H H 92 8.910 8.995 -0.085 1
1 1041 . 20 1 1 A 92 92 ALA HA H 92 3.980 3.963 0.017 1
1 1045 . 20 1 1 A 92 92 ALA CA C 92 55.900 55.294 0.606 1
1 1046 . 20 1 1 A 92 92 ALA CB C 92 17.800 18.022 -0.222 1
1 1047 . 20 1 1 A 92 92 ALA N N 92 123.000 124.469 -1.469 1
1 1048 . 20 1 1 A 93 93 GLU H H 93 8.370 7.898 0.472 1
1 1049 . 20 1 1 A 93 93 GLU HA H 93 4.070 3.903 0.167 1
1 1054 . 20 1 1 A 93 93 GLU CA C 93 58.900 59.457 -0.557 1
1 1055 . 20 1 1 A 93 93 GLU CB C 93 28.800 28.516 0.284 1
1 1057 . 20 1 1 A 93 93 GLU N N 93 118.800 118.168 0.632 1
1 1058 . 20 1 1 A 94 94 ASP H H 94 7.770 8.230 -0.460 1
1 1059 . 20 1 1 A 94 94 ASP HA H 94 4.260 4.240 0.020 1
1 1062 . 20 1 1 A 94 94 ASP CA C 94 57.100 57.387 -0.287 1
1 1063 . 20 1 1 A 94 94 ASP CB C 94 40.200 42.236 -2.036 1
1 1064 . 20 1 1 A 94 94 ASP N N 94 119.200 119.758 -0.558 1
1 1065 . 20 1 1 A 95 95 LYS H H 95 7.830 7.873 -0.043 1
1 1066 . 20 1 1 A 95 95 LYS HA H 95 3.720 3.810 -0.090 1
1 1075 . 20 1 1 A 95 95 LYS CA C 95 59.500 58.264 1.236 1
1 1076 . 20 1 1 A 95 95 LYS CB C 95 31.900 32.135 -0.235 1
1 1080 . 20 1 1 A 95 95 LYS N N 95 116.400 118.779 -2.379 1
1 1081 . 20 1 1 A 96 96 ARG H H 96 7.570 7.656 -0.086 1
1 1082 . 20 1 1 A 96 96 ARG HA H 96 3.940 3.979 -0.039 1
1 1089 . 20 1 1 A 96 96 ARG CA C 96 58.500 58.112 0.388 1
1 1090 . 20 1 1 A 96 96 ARG CB C 96 30.100 30.316 -0.216 1
1 1093 . 20 1 1 A 96 96 ARG N N 96 119.400 118.472 0.928 1
1 1094 . 20 1 1 A 97 97 LEU H H 97 7.270 7.377 -0.107 1
1 1095 . 20 1 1 A 97 97 LEU HA H 97 4.030 4.211 -0.181 1
1 1105 . 20 1 1 A 97 97 LEU CA C 97 54.400 54.224 0.176 1
1 1106 . 20 1 1 A 97 97 LEU CB C 97 41.600 41.597 0.003 1
1 1110 . 20 1 1 A 97 97 LEU N N 97 116.100 116.423 -0.323 1
1 1111 . 20 1 1 A 98 98 ALA H H 98 6.950 6.917 0.033 1
1 1112 . 20 1 1 A 98 98 ALA HA H 98 4.230 4.749 -0.519 1
1 1116 . 20 1 1 A 98 98 ALA CA C 98 50.800 51.183 -0.383 1
1 1117 . 20 1 1 A 98 98 ALA CB C 98 16.700 18.018 -1.318 1
1 1118 . 20 1 1 A 98 98 ALA N N 98 124.800 123.444 1.356 1
1 1119 . 20 1 1 A 99 99 PHE H H 99 7.630 8.260 -0.630 1
1 1120 . 20 1 1 A 99 99 PHE HA H 99 4.490 4.727 -0.237 1
1 1128 . 20 1 1 A 99 99 PHE CA C 99 58.200 57.808 0.392 1
1 1129 . 20 1 1 A 99 99 PHE CB C 99 39.500 39.410 0.090 1
1 1133 . 20 1 1 A 99 99 PHE N N 99 120.400 122.508 -2.108 1
1 1134 . 20 1 1 A 100 100 ASP H H 100 7.320 7.895 -0.575 1
1 1135 . 20 1 1 A 100 100 ASP HA H 100 5.240 4.836 0.404 1
1 1138 . 20 1 1 A 100 100 ASP CA C 100 49.900 52.944 -3.044 1
1 1139 . 20 1 1 A 100 100 ASP CB C 100 42.200 40.380 1.820 1
1 1140 . 20 1 1 A 100 100 ASP N N 100 118.200 121.006 -2.806 1
1 1141 . 20 1 1 A 101 101 PRO HA H 101 5.040 4.442 0.598 1
1 1148 . 20 1 1 A 101 101 PRO CA C 101 64.200 65.115 -0.915 1
1 1149 . 20 1 1 A 101 101 PRO CB C 101 32.800 31.860 0.940 1
1 1152 . 20 1 1 A 102 102 SER H H 102 8.950 8.260 0.690 1
1 1153 . 20 1 1 A 102 102 SER HA H 102 4.530 4.756 -0.226 1
1 1156 . 20 1 1 A 102 102 SER CA C 102 59.300 57.740 1.560 1
1 1157 . 20 1 1 A 102 102 SER CB C 102 64.500 64.796 -0.296 1
1 1158 . 20 1 1 A 102 102 SER N N 102 117.700 112.072 5.628 1
1 1159 . 20 1 1 A 103 103 LEU H H 103 6.850 7.358 -0.508 1
1 1160 . 20 1 1 A 103 103 LEU HA H 103 4.200 4.270 -0.070 1
1 1170 . 20 1 1 A 103 103 LEU CA C 103 53.700 54.273 -0.573 1
1 1171 . 20 1 1 A 103 103 LEU CB C 103 41.800 42.067 -0.267 1
1 1175 . 20 1 1 A 103 103 LEU N N 103 121.100 124.010 -2.910 1
1 1176 . 20 1 1 A 104 104 SER H H 104 8.080 8.786 -0.706 1
1 1177 . 20 1 1 A 104 104 SER HA H 104 4.310 4.813 -0.503 1
1 1180 . 20 1 1 A 104 104 SER CA C 104 60.300 58.584 1.716 1
1 1181 . 20 1 1 A 104 104 SER CB C 104 63.300 63.869 -0.569 1
1 1182 . 20 1 1 A 104 104 SER N N 104 116.100 118.458 -2.358 1
1 1183 . 20 1 1 A 105 105 TYR H H 105 8.790 9.423 -0.633 1
1 1184 . 20 1 1 A 105 105 TYR HA H 105 4.750 5.315 -0.565 1
1 1191 . 20 1 1 A 105 105 TYR CA C 105 57.100 56.976 0.124 1
1 1192 . 20 1 1 A 105 105 TYR CB C 105 37.700 38.772 -1.072 1
1 1195 . 20 1 1 A 105 105 TYR N N 105 122.700 126.075 -3.375 1
1 1196 . 20 1 1 A 106 106 LEU H H 106 8.750 9.160 -0.410 1
1 1197 . 20 1 1 A 106 106 LEU HA H 106 5.290 5.057 0.233 1
1 1207 . 20 1 1 A 106 106 LEU CA C 106 56.000 53.836 2.164 1
1 1208 . 20 1 1 A 106 106 LEU CB C 106 43.400 41.975 1.425 1
1 1212 . 20 1 1 A 106 106 LEU N N 106 125.200 125.909 -0.709 1
1 1213 . 20 1 1 A 107 107 ILE H H 107 9.480 8.966 0.514 1
1 1214 . 20 1 1 A 107 107 ILE HA H 107 4.630 5.009 -0.379 1
1 1224 . 20 1 1 A 107 107 ILE CA C 107 59.700 59.963 -0.263 1
1 1225 . 20 1 1 A 107 107 ILE CB C 107 40.500 39.973 0.527 1
1 1229 . 20 1 1 A 107 107 ILE N N 107 123.800 125.336 -1.536 1
1 1230 . 20 1 1 A 108 108 ILE H H 108 7.820 8.847 -1.027 1
1 1231 . 20 1 1 A 108 108 ILE HA H 108 4.950 5.376 -0.426 1
1 1241 . 20 1 1 A 108 108 ILE CA C 108 58.600 60.023 -1.423 1
1 1242 . 20 1 1 A 108 108 ILE CB C 108 41.700 40.111 1.589 1
1 1246 . 20 1 1 A 108 108 ILE N N 108 125.200 129.494 -4.294 1
1 1247 . 20 1 1 A 109 109 SER H H 109 9.780 8.843 0.937 1
1 1248 . 20 1 1 A 109 109 SER HA H 109 5.430 4.882 0.548 1
1 1251 . 20 1 1 A 109 109 SER CA C 109 56.400 56.488 -0.088 1
1 1252 . 20 1 1 A 109 109 SER CB C 109 64.900 63.896 1.004 1
1 1253 . 20 1 1 A 109 109 SER N N 109 120.300 121.828 -1.528 1
1 1254 . 20 1 1 A 110 110 LEU H H 110 8.110 9.162 -1.052 1
1 1255 . 20 1 1 A 110 110 LEU HA H 110 4.630 4.561 0.069 1
1 1265 . 20 1 1 A 110 110 LEU CA C 110 53.300 54.754 -1.454 1
1 1266 . 20 1 1 A 110 110 LEU CB C 110 41.100 41.715 -0.615 1
1 1270 . 20 1 1 A 110 110 LEU N N 110 130.700 130.134 0.566 1
1 1271 . 20 1 1 A 111 111 ALA H H 111 7.390 8.147 -0.757 1
1 1272 . 20 1 1 A 111 111 ALA HA H 111 3.920 4.463 -0.543 1
1 1276 . 20 1 1 A 111 111 ALA CA C 111 55.200 54.191 1.009 1
1 1277 . 20 1 1 A 111 111 ALA CB C 111 17.900 18.496 -0.596 1
1 1278 . 20 1 1 A 111 111 ALA N N 111 121.000 122.427 -1.427 1
1 1279 . 20 1 1 A 112 112 GLU H H 112 8.290 7.846 0.444 1
1 1280 . 20 1 1 A 112 112 GLU HA H 112 4.830 4.690 0.140 1
1 1285 . 20 1 1 A 112 112 GLU CA C 112 52.600 53.282 -0.682 1
1 1286 . 20 1 1 A 112 112 GLU CB C 112 29.300 30.579 -1.279 1
1 1288 . 20 1 1 A 112 112 GLU N N 112 116.400 117.565 -1.165 1
1 1289 . 20 1 1 A 113 113 PRO HA H 113 3.940 4.422 -0.482 1
1 1296 . 20 1 1 A 113 113 PRO CA C 113 65.600 64.302 1.298 1
1 1297 . 20 1 1 A 113 113 PRO CB C 113 31.900 32.083 -0.183 1
1 1300 . 20 1 1 A 114 114 GLN H H 114 8.610 8.409 0.201 1
1 1301 . 20 1 1 A 114 114 GLN HA H 114 4.250 4.300 -0.050 1
1 1308 . 20 1 1 A 114 114 GLN CA C 114 56.100 56.951 -0.851 1
1 1309 . 20 1 1 A 114 114 GLN CB C 114 28.300 29.769 -1.469 1
1 1311 . 20 1 1 A 114 114 GLN N N 114 113.500 116.725 -3.225 1
1 1313 . 20 1 1 A 115 115 LYS H H 115 8.040 8.092 -0.052 1
1 1314 . 20 1 1 A 115 115 LYS HA H 115 4.620 4.740 -0.120 1
1 1323 . 20 1 1 A 115 115 LYS CA C 115 53.500 53.663 -0.163 1
1 1324 . 20 1 1 A 115 115 LYS CB C 115 33.400 33.279 0.121 1
1 1328 . 20 1 1 A 115 115 LYS N N 115 121.000 119.347 1.653 1
1 1329 . 20 1 1 A 116 116 PRO HA H 116 4.560 4.676 -0.116 1
1 1336 . 20 1 1 A 116 116 PRO CA C 116 62.900 62.615 0.285 1
1 1337 . 20 1 1 A 116 116 PRO CB C 116 32.500 31.640 0.860 1
1 1340 . 20 1 1 A 117 117 VAL H H 117 7.850 7.881 -0.031 1
1 1341 . 20 1 1 A 117 117 VAL HA H 117 4.360 4.206 0.154 1
1 1349 . 20 1 1 A 117 117 VAL CA C 117 61.200 61.895 -0.695 1
1 1350 . 20 1 1 A 117 117 VAL CB C 117 35.900 31.324 4.576 1
1 1353 . 20 1 1 A 117 117 VAL N N 117 120.600 123.764 -3.164 1
1 1354 . 20 1 1 A 118 118 CYS H H 118 8.820 9.054 -0.234 1
1 1355 . 20 1 1 A 118 118 CYS HA H 118 5.340 5.110 0.230 1
1 1358 . 20 1 1 A 118 118 CYS CA C 118 56.400 56.764 -0.364 1
1 1359 . 20 1 1 A 118 118 CYS CB C 118 28.700 30.158 -1.458 1
1 1360 . 20 1 1 A 118 118 CYS N N 118 127.100 127.933 -0.833 1
1 1361 . 20 1 1 A 119 119 LYS H H 119 8.530 8.816 -0.286 1
1 1362 . 20 1 1 A 119 119 LYS HA H 119 4.590 4.828 -0.238 1
1 1371 . 20 1 1 A 119 119 LYS CA C 119 54.900 54.617 0.283 1
1 1372 . 20 1 1 A 119 119 LYS CB C 119 39.600 36.023 3.577 1
1 1376 . 20 1 1 A 119 119 LYS N N 119 126.400 128.033 -1.633 1
1 1377 . 20 1 1 A 120 120 SER H H 120 8.220 8.844 -0.624 1
1 1378 . 20 1 1 A 120 120 SER HA H 120 4.870 5.213 -0.343 1
1 1381 . 20 1 1 A 120 120 SER CA C 120 56.300 56.477 -0.177 1
1 1382 . 20 1 1 A 120 120 SER CB C 120 63.300 64.695 -1.395 1
1 1383 . 20 1 1 A 120 120 SER N N 120 114.500 116.995 -2.495 1
1 1384 . 20 1 1 A 121 121 PHE H H 121 8.450 9.645 -1.195 1
1 1385 . 20 1 1 A 121 121 PHE HA H 121 5.160 5.518 -0.358 1
1 1393 . 20 1 1 A 121 121 PHE CA C 121 57.200 56.413 0.787 1
1 1394 . 20 1 1 A 121 121 PHE CB C 121 42.700 42.181 0.519 1
1 1398 . 20 1 1 A 121 121 PHE N N 121 124.400 125.186 -0.786 1
1 1399 . 20 1 1 A 122 122 LEU H H 122 9.070 9.488 -0.418 1
1 1400 . 20 1 1 A 122 122 LEU HA H 122 5.270 5.081 0.189 1
1 1410 . 20 1 1 A 122 122 LEU CA C 122 53.300 53.702 -0.402 1
1 1411 . 20 1 1 A 122 122 LEU CB C 122 42.200 42.703 -0.503 1
1 1415 . 20 1 1 A 122 122 LEU N N 122 120.900 123.529 -2.629 1
1 1416 . 20 1 1 A 123 123 ILE H H 123 9.730 9.087 0.643 1
1 1417 . 20 1 1 A 123 123 ILE HA H 123 4.290 4.549 -0.259 1
1 1427 . 20 1 1 A 123 123 ILE CA C 123 61.400 60.825 0.575 1
1 1428 . 20 1 1 A 123 123 ILE CB C 123 38.000 37.435 0.565 1
1 1432 . 20 1 1 A 123 123 ILE N N 123 125.900 125.547 0.353 1
1 1433 . 20 1 1 A 124 124 LYS H H 124 8.080 8.981 -0.901 1
1 1434 . 20 1 1 A 124 124 LYS HA H 124 4.720 4.701 0.019 1
1 1443 . 20 1 1 A 124 124 LYS CA C 124 54.100 54.463 -0.363 1
1 1444 . 20 1 1 A 124 124 LYS CB C 124 34.700 34.777 -0.077 1
1 1448 . 20 1 1 A 124 124 LYS N N 124 124.600 127.860 -3.260 1
1 1449 . 20 1 1 A 125 125 LYS H H 125 8.830 8.919 -0.089 1
1 1450 . 20 1 1 A 125 125 LYS HA H 125 4.000 3.953 0.047 1
1 1459 . 20 1 1 A 125 125 LYS CA C 125 59.000 59.370 -0.370 1
1 1460 . 20 1 1 A 125 125 LYS CB C 125 31.700 32.440 -0.740 1
1 1464 . 20 1 1 A 125 125 LYS N N 125 120.900 123.747 -2.847 1
1 1465 . 20 1 1 A 126 126 ASP H H 126 8.160 8.008 0.152 1
1 1466 . 20 1 1 A 126 126 ASP HA H 126 4.650 4.330 0.320 1
1 1469 . 20 1 1 A 126 126 ASP CA C 126 53.100 56.870 -3.770 1
1 1470 . 20 1 1 A 126 126 ASP CB C 126 40.300 41.416 -1.116 1
1 1471 . 20 1 1 A 126 126 ASP N N 126 113.200 118.584 -5.384 1
1 1472 . 20 1 1 A 127 127 GLY H H 127 7.370 7.366 0.004 1
1 1473 . 20 1 1 A 127 127 GLY HA2 H 127 4.300 4.082 0.218 1
1 1474 . 20 1 1 A 127 127 GLY HA3 H 127 3.900 4.092 -0.192 1
1 1475 . 20 1 1 A 127 127 GLY CA C 127 45.200 46.038 -0.838 1
1 1476 . 20 1 1 A 127 127 GLY N N 127 107.600 103.342 4.258 1
1 1477 . 20 1 1 A 128 128 VAL H H 128 8.130 8.423 -0.293 1
1 1478 . 20 1 1 A 128 128 VAL HA H 128 4.900 5.107 -0.207 1
1 1486 . 20 1 1 A 128 128 VAL CA C 128 60.900 59.964 0.936 1
1 1487 . 20 1 1 A 128 128 VAL CB C 128 34.000 34.193 -0.193 1
1 1490 . 20 1 1 A 128 128 VAL N N 128 118.900 120.634 -1.734 1
1 1491 . 20 1 1 A 129 129 ASP H H 129 9.250 9.215 0.035 1
1 1492 . 20 1 1 A 129 129 ASP HA H 129 5.220 5.178 0.042 1
1 1495 . 20 1 1 A 129 129 ASP CA C 129 52.300 52.871 -0.571 1
1 1496 . 20 1 1 A 129 129 ASP CB C 129 43.600 42.801 0.799 1
1 1497 . 20 1 1 A 129 129 ASP N N 129 126.500 130.122 -3.622 1
1 1498 . 20 1 1 A 130 130 GLU H H 130 8.900 8.621 0.279 1
1 1499 . 20 1 1 A 130 130 GLU HA H 130 4.420 4.818 -0.398 1
1 1504 . 20 1 1 A 130 130 GLU CA C 130 56.400 55.162 1.238 1
1 1505 . 20 1 1 A 130 130 GLU CB C 130 29.800 31.679 -1.879 1
1 1507 . 20 1 1 A 130 130 GLU N N 130 124.000 127.288 -3.288 1
1 1508 . 20 1 1 A 131 131 GLU H H 131 8.860 9.203 -0.343 1
1 1509 . 20 1 1 A 131 131 GLU HA H 131 4.430 4.997 -0.567 1
1 1514 . 20 1 1 A 131 131 GLU CA C 131 53.500 54.384 -0.884 1
1 1515 . 20 1 1 A 131 131 GLU CB C 131 32.500 33.514 -1.014 1
1 1517 . 20 1 1 A 131 131 GLU N N 131 129.200 127.468 1.732 1
1 1518 . 20 1 1 A 132 132 GLU H H 132 8.610 8.647 -0.037 1
1 1519 . 20 1 1 A 132 132 GLU HA H 132 4.050 4.916 -0.866 1
1 1524 . 20 1 1 A 132 132 GLU CA C 132 57.100 54.558 2.542 1
1 1525 . 20 1 1 A 132 132 GLU CB C 132 30.100 32.316 -2.216 1
1 1527 . 20 1 1 A 132 132 GLU N N 132 126.400 123.610 2.790 1
1 1528 . 20 1 1 A 133 133 ILE H H 133 8.200 8.491 -0.291 1
1 1529 . 20 1 1 A 133 133 ILE HA H 133 4.740 4.583 0.157 1
1 1539 . 20 1 1 A 133 133 ILE CA C 133 60.000 59.496 0.504 1
1 1540 . 20 1 1 A 133 133 ILE CB C 133 39.300 38.501 0.799 1
1 1544 . 20 1 1 A 133 133 ILE N N 133 124.500 121.152 3.348 1
1 1545 . 20 1 1 A 134 134 ILE H H 134 9.000 9.161 -0.161 1
1 1546 . 20 1 1 A 134 134 ILE HA H 134 4.190 4.780 -0.590 1
1 1556 . 20 1 1 A 134 134 ILE CA C 134 59.000 59.686 -0.686 1
1 1557 . 20 1 1 A 134 134 ILE CB C 134 38.300 39.646 -1.346 1
1 1561 . 20 1 1 A 134 134 ILE N N 134 130.900 128.957 1.943 1
1 1562 . 20 1 1 A 135 135 LEU H H 135 8.360 8.871 -0.511 1
1 1563 . 20 1 1 A 135 135 LEU HA H 135 5.190 5.490 -0.300 1
1 1573 . 20 1 1 A 135 135 LEU CA C 135 52.700 53.260 -0.560 1
1 1574 . 20 1 1 A 135 135 LEU CB C 135 42.800 45.014 -2.214 1
1 1578 . 20 1 1 A 135 135 LEU N N 135 127.100 127.236 -0.136 1
1 1579 . 20 1 1 A 136 136 LYS H H 136 8.790 8.358 0.432 1
1 1580 . 20 1 1 A 136 136 LYS HA H 136 4.330 4.980 -0.650 1
1 1589 . 20 1 1 A 136 136 LYS CA C 136 55.600 54.284 1.316 1
1 1590 . 20 1 1 A 136 136 LYS CB C 136 34.600 36.135 -1.535 1
1 1594 . 20 1 1 A 136 136 LYS N N 136 125.100 122.320 2.780 1
1 1595 . 20 1 1 A 137 137 GLU H H 137 8.850 8.790 0.060 1
1 1596 . 20 1 1 A 137 137 GLU HA H 137 4.240 4.217 0.023 1
1 1601 . 20 1 1 A 137 137 GLU CA C 137 57.600 58.157 -0.557 1
1 1602 . 20 1 1 A 137 137 GLU CB C 137 29.900 30.920 -1.020 1
1 1604 . 20 1 1 A 137 137 GLU N N 137 121.100 122.012 -0.912 1
1 1605 . 20 1 1 A 138 138 GLU H H 138 8.150 7.787 0.363 1
1 1606 . 20 1 1 A 138 138 GLU HA H 138 4.370 4.785 -0.415 1
1 1611 . 20 1 1 A 138 138 GLU CA C 138 55.800 54.985 0.815 1
1 1612 . 20 1 1 A 138 138 GLU CB C 138 30.700 33.035 -2.335 1
1 1614 . 20 1 1 A 138 138 GLU N N 138 119.300 119.632 -0.332 1
1 1615 . 20 1 1 A 139 139 LEU H H 139 8.240 8.567 -0.327 1
1 1616 . 20 1 1 A 139 139 LEU HA H 139 4.180 4.399 -0.219 1
1 1626 . 20 1 1 A 139 139 LEU CA C 139 55.400 54.709 0.691 1
1 1627 . 20 1 1 A 139 139 LEU CB C 139 42.300 42.528 -0.228 1
1 1631 . 20 1 1 A 139 139 LEU N N 139 122.800 123.641 -0.841 1
1 1632 . 20 1 1 A 140 140 GLU H H 140 8.250 8.821 -0.571 1
1 1633 . 20 1 1 A 140 140 GLU HA H 140 4.150 4.169 -0.019 1
1 1638 . 20 1 1 A 140 140 GLU CA C 140 56.400 56.136 0.264 1
1 1639 . 20 1 1 A 140 140 GLU CB C 140 29.900 30.387 -0.487 1
1 1641 . 20 1 1 A 140 140 GLU N N 140 120.700 121.268 -0.568 1
1 1642 . 20 1 1 A 141 141 HIS H H 141 8.400 8.356 0.044 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 139 1.285 1
3 1 1 1 "RMS(OBS, PRED)" CB 132 1.359 1
4 1 1 1 "RMS(OBS, PRED)" H 130 0.608 1
5 1 1 1 "RMS(OBS, PRED)" HA 146 0.369 1
6 1 1 1 "RMS(OBS, PRED)" N 129 3.095 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 139 1.213 1
9 1 2 1 "RMS(OBS, PRED)" CB 132 1.164 1
10 1 2 1 "RMS(OBS, PRED)" H 130 0.575 1
11 1 2 1 "RMS(OBS, PRED)" HA 146 0.357 1
12 1 2 1 "RMS(OBS, PRED)" N 129 3.362 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 139 1.270 1
15 1 3 1 "RMS(OBS, PRED)" CB 132 1.215 1
16 1 3 1 "RMS(OBS, PRED)" H 130 0.543 1
17 1 3 1 "RMS(OBS, PRED)" HA 146 0.356 1
18 1 3 1 "RMS(OBS, PRED)" N 129 3.315 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 139 1.357 1
21 1 4 1 "RMS(OBS, PRED)" CB 132 1.263 1
22 1 4 1 "RMS(OBS, PRED)" H 130 0.574 1
23 1 4 1 "RMS(OBS, PRED)" HA 146 0.338 1
24 1 4 1 "RMS(OBS, PRED)" N 129 3.010 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 139 1.166 1
27 1 5 1 "RMS(OBS, PRED)" CB 132 1.280 1
28 1 5 1 "RMS(OBS, PRED)" H 130 0.546 1
29 1 5 1 "RMS(OBS, PRED)" HA 146 0.355 1
30 1 5 1 "RMS(OBS, PRED)" N 129 3.014 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 139 1.252 1
33 1 6 1 "RMS(OBS, PRED)" CB 132 1.459 1
34 1 6 1 "RMS(OBS, PRED)" H 130 0.599 1
35 1 6 1 "RMS(OBS, PRED)" HA 146 0.372 1
36 1 6 1 "RMS(OBS, PRED)" N 129 3.108 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 139 1.237 1
39 1 7 1 "RMS(OBS, PRED)" CB 132 1.317 1
40 1 7 1 "RMS(OBS, PRED)" H 130 0.522 1
41 1 7 1 "RMS(OBS, PRED)" HA 146 0.377 1
42 1 7 1 "RMS(OBS, PRED)" N 129 2.916 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 139 1.126 1
45 1 8 1 "RMS(OBS, PRED)" CB 132 1.234 1
46 1 8 1 "RMS(OBS, PRED)" H 130 0.587 1
47 1 8 1 "RMS(OBS, PRED)" HA 146 0.344 1
48 1 8 1 "RMS(OBS, PRED)" N 129 2.809 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 139 1.231 1
51 1 9 1 "RMS(OBS, PRED)" CB 132 1.285 1
52 1 9 1 "RMS(OBS, PRED)" H 130 0.615 1
53 1 9 1 "RMS(OBS, PRED)" HA 146 0.355 1
54 1 9 1 "RMS(OBS, PRED)" N 129 3.151 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 139 1.206 1
57 1 10 1 "RMS(OBS, PRED)" CB 132 1.315 1
58 1 10 1 "RMS(OBS, PRED)" H 130 0.546 1
59 1 10 1 "RMS(OBS, PRED)" HA 146 0.354 1
60 1 10 1 "RMS(OBS, PRED)" N 129 3.425 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 139 1.290 1
63 1 11 1 "RMS(OBS, PRED)" CB 132 1.248 1
64 1 11 1 "RMS(OBS, PRED)" H 130 0.577 1
65 1 11 1 "RMS(OBS, PRED)" HA 146 0.341 1
66 1 11 1 "RMS(OBS, PRED)" N 129 2.990 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 139 1.173 1
69 1 12 1 "RMS(OBS, PRED)" CB 132 1.327 1
70 1 12 1 "RMS(OBS, PRED)" H 130 0.532 1
71 1 12 1 "RMS(OBS, PRED)" HA 146 0.367 1
72 1 12 1 "RMS(OBS, PRED)" N 129 2.880 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 139 1.153 1
75 1 13 1 "RMS(OBS, PRED)" CB 132 1.268 1
76 1 13 1 "RMS(OBS, PRED)" H 130 0.577 1
77 1 13 1 "RMS(OBS, PRED)" HA 146 0.356 1
78 1 13 1 "RMS(OBS, PRED)" N 129 3.147 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 139 1.187 1
81 1 14 1 "RMS(OBS, PRED)" CB 132 1.312 1
82 1 14 1 "RMS(OBS, PRED)" H 130 0.526 1
83 1 14 1 "RMS(OBS, PRED)" HA 146 0.364 1
84 1 14 1 "RMS(OBS, PRED)" N 129 2.847 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 139 1.216 1
87 1 15 1 "RMS(OBS, PRED)" CB 132 1.171 1
88 1 15 1 "RMS(OBS, PRED)" H 130 0.579 1
89 1 15 1 "RMS(OBS, PRED)" HA 146 0.373 1
90 1 15 1 "RMS(OBS, PRED)" N 129 3.055 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 139 1.220 1
93 1 16 1 "RMS(OBS, PRED)" CB 132 1.257 1
94 1 16 1 "RMS(OBS, PRED)" H 130 0.542 1
95 1 16 1 "RMS(OBS, PRED)" HA 146 0.357 1
96 1 16 1 "RMS(OBS, PRED)" N 129 3.180 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 139 1.179 1
99 1 17 1 "RMS(OBS, PRED)" CB 132 1.263 1
100 1 17 1 "RMS(OBS, PRED)" H 130 0.582 1
101 1 17 1 "RMS(OBS, PRED)" HA 146 0.351 1
102 1 17 1 "RMS(OBS, PRED)" N 129 3.262 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 139 1.122 1
105 1 18 1 "RMS(OBS, PRED)" CB 132 1.145 1
106 1 18 1 "RMS(OBS, PRED)" H 130 0.562 1
107 1 18 1 "RMS(OBS, PRED)" HA 146 0.355 1
108 1 18 1 "RMS(OBS, PRED)" N 129 3.146 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 139 1.160 1
111 1 19 1 "RMS(OBS, PRED)" CB 132 1.203 1
112 1 19 1 "RMS(OBS, PRED)" H 130 0.579 1
113 1 19 1 "RMS(OBS, PRED)" HA 146 0.364 1
114 1 19 1 "RMS(OBS, PRED)" N 129 2.945 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 139 1.167 1
117 1 20 1 "RMS(OBS, PRED)" CB 132 1.236 1
118 1 20 1 "RMS(OBS, PRED)" H 130 0.522 1
119 1 20 1 "RMS(OBS, PRED)" HA 146 0.352 1
120 1 20 1 "RMS(OBS, PRED)" N 129 2.878 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 13 . 1 1 A 2 2 ILE H H 2 8.780 8.489 0.291 2
1 14 . 1 1 A 2 2 ILE HA H 2 5.060 5.002 0.058 2
1 24 . 1 1 A 2 2 ILE CA C 2 58.500 59.124 -0.624 2
1 25 . 1 1 A 2 2 ILE CB C 2 41.300 40.818 0.482 2
1 29 . 1 1 A 2 2 ILE N N 2 124.600 122.518 2.082 2
1 30 . 1 1 A 3 3 THR H H 3 8.280 8.965 -0.685 2
1 31 . 1 1 A 3 3 THR HA H 3 5.350 5.313 0.037 2
1 36 . 1 1 A 3 3 THR CA C 3 60.900 61.866 -0.966 2
1 37 . 1 1 A 3 3 THR CB C 3 69.900 70.410 -0.510 2
1 39 . 1 1 A 3 3 THR N N 3 123.200 124.456 -1.256 2
1 40 . 1 1 A 4 4 LEU H H 4 8.710 8.940 -0.230 2
1 41 . 1 1 A 4 4 LEU HA H 4 5.040 5.070 -0.030 2
1 51 . 1 1 A 4 4 LEU CA C 4 53.800 53.440 0.360 2
1 52 . 1 1 A 4 4 LEU CB C 4 45.800 45.748 0.052 2
1 56 . 1 1 A 4 4 LEU N N 4 127.600 122.733 4.867 2
1 57 . 1 1 A 5 5 THR H H 5 8.440 8.325 0.115 2
1 58 . 1 1 A 5 5 THR HA H 5 5.040 5.045 -0.005 2
1 63 . 1 1 A 5 5 THR CA C 5 59.300 60.151 -0.851 2
1 64 . 1 1 A 5 5 THR CB C 5 71.000 71.696 -0.696 2
1 66 . 1 1 A 5 5 THR N N 5 109.500 111.610 -2.110 2
1 67 . 1 1 A 6 6 LYS H H 6 8.730 8.980 -0.250 2
1 68 . 1 1 A 6 6 LYS HA H 6 3.810 3.951 -0.141 2
1 77 . 1 1 A 6 6 LYS CA C 6 60.000 60.220 -0.220 2
1 78 . 1 1 A 6 6 LYS CB C 6 32.000 32.013 -0.013 2
1 82 . 1 1 A 6 6 LYS N N 6 121.500 121.906 -0.406 2
1 83 . 1 1 A 7 7 LYS H H 7 8.290 7.957 0.333 2
1 84 . 1 1 A 7 7 LYS HA H 7 3.990 3.933 0.057 2
1 93 . 1 1 A 7 7 LYS CA C 7 59.200 59.660 -0.460 2
1 94 . 1 1 A 7 7 LYS CB C 7 32.400 32.100 0.300 2
1 98 . 1 1 A 7 7 LYS N N 7 118.800 119.606 -0.806 2
1 99 . 1 1 A 8 8 GLN H H 8 7.650 7.770 -0.120 2
1 100 . 1 1 A 8 8 GLN HA H 8 3.890 3.962 -0.072 2
1 107 . 1 1 A 8 8 GLN CA C 8 58.100 59.113 -1.013 2
1 108 . 1 1 A 8 8 GLN CB C 8 27.400 28.680 -1.280 2
1 110 . 1 1 A 8 8 GLN N N 8 119.800 118.325 1.475 2
1 112 . 1 1 A 9 9 MET H H 9 8.130 8.019 0.111 2
1 113 . 1 1 A 9 9 MET HA H 9 4.130 3.969 0.161 2
1 121 . 1 1 A 9 9 MET CA C 9 57.500 58.267 -0.767 2
1 122 . 1 1 A 9 9 MET CB C 9 30.900 31.933 -1.033 2
1 125 . 1 1 A 9 9 MET N N 9 118.300 119.719 -1.419 2
1 126 . 1 1 A 10 10 GLU H H 10 8.460 8.364 0.096 2
1 127 . 1 1 A 10 10 GLU HA H 10 3.890 3.951 -0.061 2
1 132 . 1 1 A 10 10 GLU CA C 10 59.100 59.507 -0.407 2
1 133 . 1 1 A 10 10 GLU CB C 10 28.500 29.211 -0.711 2
1 135 . 1 1 A 10 10 GLU N N 10 118.500 118.153 0.347 2
1 136 . 1 1 A 11 11 GLU H H 11 8.200 8.403 -0.203 2
1 137 . 1 1 A 11 11 GLU HA H 11 4.070 4.022 0.048 2
1 142 . 1 1 A 11 11 GLU CA C 11 59.200 59.117 0.083 2
1 143 . 1 1 A 11 11 GLU CB C 11 28.900 29.337 -0.437 2
1 145 . 1 1 A 11 11 GLU N N 11 120.800 120.527 0.273 2
1 146 . 1 1 A 12 12 MET H H 12 7.780 8.180 -0.400 2
1 147 . 1 1 A 12 12 MET HA H 12 3.390 4.022 -0.632 2
1 155 . 1 1 A 12 12 MET CA C 12 60.600 58.439 2.161 2
1 156 . 1 1 A 12 12 MET CB C 12 33.900 33.011 0.889 2
1 159 . 1 1 A 12 12 MET N N 12 119.300 119.078 0.222 2
1 160 . 1 1 A 13 13 LEU H H 13 8.340 8.694 -0.353 2
1 161 . 1 1 A 13 13 LEU HA H 13 3.770 3.993 -0.223 2
1 171 . 1 1 A 13 13 LEU CA C 13 58.000 57.934 0.066 2
1 172 . 1 1 A 13 13 LEU CB C 13 41.400 41.521 -0.121 2
1 176 . 1 1 A 13 13 LEU N N 13 118.600 119.725 -1.125 2
1 177 . 1 1 A 14 14 ALA H H 14 8.620 8.556 0.064 2
1 178 . 1 1 A 14 14 ALA HA H 14 4.100 4.088 0.011 2
1 182 . 1 1 A 14 14 ALA CA C 14 55.200 55.163 0.037 2
1 183 . 1 1 A 14 14 ALA CB C 14 17.800 18.255 -0.455 2
1 184 . 1 1 A 14 14 ALA N N 14 121.500 121.048 0.452 2
1 185 . 1 1 A 15 15 HIS H H 15 7.780 7.780 -0.000 2
1 186 . 1 1 A 15 15 HIS HA H 15 4.460 4.272 0.188 2
1 190 . 1 1 A 15 15 HIS CA C 15 59.000 59.712 -0.712 2
1 191 . 1 1 A 15 15 HIS CB C 15 29.300 29.513 -0.213 2
1 193 . 1 1 A 15 15 HIS N N 15 116.700 118.048 -1.348 2
1 194 . 1 1 A 16 16 ALA H H 16 8.390 8.531 -0.141 2
1 195 . 1 1 A 16 16 ALA HA H 16 4.100 3.954 0.146 2
1 199 . 1 1 A 16 16 ALA CA C 16 54.500 55.392 -0.892 2
1 200 . 1 1 A 16 16 ALA CB C 16 18.200 18.257 -0.057 2
1 201 . 1 1 A 16 16 ALA N N 16 120.000 121.230 -1.230 2
1 202 . 1 1 A 17 17 ARG H H 17 8.820 8.321 0.499 2
1 203 . 1 1 A 17 17 ARG HA H 17 3.890 4.071 -0.181 2
1 210 . 1 1 A 17 17 ARG CA C 17 59.900 59.447 0.453 2
1 211 . 1 1 A 17 17 ARG CB C 17 30.100 29.869 0.231 2
1 214 . 1 1 A 17 17 ARG N N 17 118.900 117.459 1.441 2
1 215 . 1 1 A 18 18 GLN H H 18 8.130 7.934 0.197 2
1 216 . 1 1 A 18 18 GLN HA H 18 4.060 4.078 -0.018 2
1 223 . 1 1 A 18 18 GLN CA C 18 57.900 58.606 -0.706 2
1 224 . 1 1 A 18 18 GLN CB C 18 28.000 28.564 -0.564 2
1 226 . 1 1 A 18 18 GLN N N 18 118.100 119.151 -1.051 2
1 228 . 1 1 A 19 19 ALA H H 19 7.090 7.346 -0.256 2
1 229 . 1 1 A 19 19 ALA HA H 19 4.220 4.283 -0.063 2
1 233 . 1 1 A 19 19 ALA CA C 19 52.300 52.276 0.024 2
1 234 . 1 1 A 19 19 ALA CB C 19 20.600 19.308 1.292 2
1 235 . 1 1 A 19 19 ALA N N 19 117.600 119.864 -2.264 2
1 236 . 1 1 A 20 20 LEU H H 20 7.020 7.245 -0.225 2
1 237 . 1 1 A 20 20 LEU HA H 20 4.110 4.405 -0.295 2
1 247 . 1 1 A 20 20 LEU CA C 20 54.600 53.808 0.792 2
1 248 . 1 1 A 20 20 LEU CB C 20 40.400 41.383 -0.983 2
1 252 . 1 1 A 20 20 LEU N N 20 117.900 122.129 -4.229 2
1 253 . 1 1 A 21 21 PRO HA H 21 4.320 4.651 -0.331 2
1 260 . 1 1 A 21 21 PRO CA C 21 63.700 63.442 0.258 2
1 261 . 1 1 A 21 21 PRO CB C 21 35.000 32.104 2.896 2
1 264 . 1 1 A 22 22 ASN H H 22 8.690 8.249 0.441 2
1 265 . 1 1 A 22 22 ASN HA H 22 4.570 5.041 -0.471 2
1 270 . 1 1 A 22 22 ASN CA C 22 52.400 52.499 -0.099 2
1 271 . 1 1 A 22 22 ASN CB C 22 40.000 40.176 -0.176 2
1 272 . 1 1 A 22 22 ASN N N 22 122.000 120.935 1.065 2
1 274 . 1 1 A 23 23 GLU H H 23 8.540 8.389 0.151 2
1 275 . 1 1 A 23 23 GLU HA H 23 4.050 4.646 -0.596 2
1 280 . 1 1 A 23 23 GLU CA C 23 57.300 56.673 0.627 2
1 281 . 1 1 A 23 23 GLU CB C 23 29.000 30.277 -1.277 2
1 283 . 1 1 A 23 23 GLU N N 23 116.100 119.556 -3.456 2
1 284 . 1 1 A 24 24 ALA H H 24 8.390 8.334 0.056 2
1 285 . 1 1 A 24 24 ALA HA H 24 5.040 4.712 0.328 2
1 289 . 1 1 A 24 24 ALA CA C 24 48.900 51.869 -2.969 2
1 290 . 1 1 A 24 24 ALA CB C 24 23.200 19.863 3.337 2
1 291 . 1 1 A 24 24 ALA N N 24 124.800 124.875 -0.075 2
1 292 . 1 1 A 25 25 CYS H H 25 8.910 8.798 0.112 2
1 293 . 1 1 A 25 25 CYS HA H 25 5.000 5.295 -0.295 2
1 296 . 1 1 A 25 25 CYS CA C 25 55.000 57.288 -2.288 2
1 297 . 1 1 A 25 25 CYS CB C 25 32.600 31.501 1.099 2
1 298 . 1 1 A 25 25 CYS N N 25 111.700 120.516 -8.816 2
1 299 . 1 1 A 26 26 GLY H H 26 7.110 7.601 -0.491 2
1 300 . 1 1 A 26 26 GLY HA2 H 26 3.820 3.805 0.015 2
1 301 . 1 1 A 26 26 GLY HA3 H 26 4.070 4.044 0.026 2
1 302 . 1 1 A 26 26 GLY CA C 26 46.500 45.696 0.804 2
1 303 . 1 1 A 26 26 GLY N N 26 103.200 108.062 -4.862 2
1 304 . 1 1 A 27 27 LEU H H 27 8.830 8.838 -0.008 2
1 305 . 1 1 A 27 27 LEU HA H 27 5.200 5.295 -0.095 2
1 315 . 1 1 A 27 27 LEU CA C 27 53.200 53.359 -0.159 2
1 316 . 1 1 A 27 27 LEU CB C 27 46.600 45.736 0.864 2
1 320 . 1 1 A 27 27 LEU N N 27 116.700 121.473 -4.773 2
1 321 . 1 1 A 28 28 LEU H H 28 8.060 8.803 -0.743 2
1 322 . 1 1 A 28 28 LEU HA H 28 5.200 5.262 -0.062 2
1 332 . 1 1 A 28 28 LEU CA C 28 53.400 52.953 0.447 2
1 333 . 1 1 A 28 28 LEU CB C 28 44.900 44.870 0.030 2
1 337 . 1 1 A 28 28 LEU N N 28 118.200 121.738 -3.538 2
1 338 . 1 1 A 29 29 GLY H H 29 9.210 8.994 0.216 2
1 339 . 1 1 A 29 29 GLY HA2 H 29 3.750 4.290 -0.540 2
1 340 . 1 1 A 29 29 GLY HA3 H 29 5.800 4.348 1.452 2
1 341 . 1 1 A 29 29 GLY CA C 29 43.600 44.466 -0.866 2
1 342 . 1 1 A 29 29 GLY N N 29 109.500 111.927 -2.427 2
1 343 . 1 1 A 30 30 GLY H H 30 9.520 8.465 1.055 2
1 344 . 1 1 A 30 30 GLY HA2 H 30 3.210 3.722 -0.512 2
1 345 . 1 1 A 30 30 GLY HA3 H 30 4.800 4.150 0.650 2
1 346 . 1 1 A 30 30 GLY CA C 30 47.500 45.755 1.745 2
1 347 . 1 1 A 30 30 GLY N N 30 111.700 108.985 2.715 2
1 348 . 1 1 A 31 31 ARG H H 31 8.900 8.474 0.426 2
1 349 . 1 1 A 31 31 ARG HA H 31 5.170 5.216 -0.046 2
1 356 . 1 1 A 31 31 ARG CA C 31 54.200 54.651 -0.451 2
1 357 . 1 1 A 31 31 ARG CB C 31 34.200 33.911 0.289 2
1 360 . 1 1 A 31 31 ARG N N 31 123.000 122.499 0.501 2
1 361 . 1 1 A 32 32 ARG H H 32 9.070 9.105 -0.035 2
1 362 . 1 1 A 32 32 ARG HA H 32 5.140 5.376 -0.236 2
1 369 . 1 1 A 32 32 ARG CA C 32 54.700 54.606 0.094 2
1 370 . 1 1 A 32 32 ARG CB C 32 33.700 33.203 0.497 2
1 373 . 1 1 A 32 32 ARG N N 32 121.500 121.833 -0.333 2
1 374 . 1 1 A 33 33 ASP H H 33 8.640 8.952 -0.312 2
1 375 . 1 1 A 33 33 ASP HA H 33 4.850 4.993 -0.143 2
1 378 . 1 1 A 33 33 ASP CA C 33 53.400 53.154 0.246 2
1 379 . 1 1 A 33 33 ASP CB C 33 42.100 42.583 -0.483 2
1 380 . 1 1 A 33 33 ASP N N 33 124.200 123.694 0.506 2
1 381 . 1 1 A 34 34 GLY H H 34 9.020 8.482 0.538 2
1 382 . 1 1 A 34 34 GLY HA2 H 34 3.670 3.935 -0.265 2
1 383 . 1 1 A 34 34 GLY HA3 H 34 4.000 3.941 0.059 2
1 384 . 1 1 A 34 34 GLY CA C 34 47.200 46.375 0.825 2
1 385 . 1 1 A 34 34 GLY N N 34 115.900 110.770 5.130 2
1 386 . 1 1 A 35 35 ASP H H 35 9.070 8.463 0.607 2
1 387 . 1 1 A 35 35 ASP HA H 35 4.650 4.665 -0.015 2
1 390 . 1 1 A 35 35 ASP CA C 35 54.800 54.695 0.105 2
1 391 . 1 1 A 35 35 ASP CB C 35 41.000 41.990 -0.990 2
1 392 . 1 1 A 35 35 ASP N N 35 127.300 122.668 4.632 2
1 393 . 1 1 A 36 36 ASP H H 36 8.070 7.718 0.352 2
1 394 . 1 1 A 36 36 ASP HA H 36 4.950 4.723 0.227 2
1 397 . 1 1 A 36 36 ASP CA C 36 53.700 53.389 0.311 2
1 398 . 1 1 A 36 36 ASP CB C 36 41.700 42.188 -0.488 2
1 399 . 1 1 A 36 36 ASP N N 36 120.600 119.125 1.475 2
1 400 . 1 1 A 37 37 ARG H H 37 8.070 8.208 -0.138 2
1 401 . 1 1 A 37 37 ARG HA H 37 4.850 4.959 -0.109 2
1 408 . 1 1 A 37 37 ARG CA C 37 55.400 54.269 1.131 2
1 409 . 1 1 A 37 37 ARG CB C 37 32.900 33.238 -0.338 2
1 412 . 1 1 A 37 37 ARG N N 37 120.800 120.076 0.724 2
1 413 . 1 1 A 38 38 TRP H H 38 9.380 9.438 -0.058 2
1 414 . 1 1 A 38 38 TRP HA H 38 4.840 5.373 -0.533 2
1 423 . 1 1 A 38 38 TRP CA C 38 57.000 55.585 1.415 2
1 424 . 1 1 A 38 38 TRP CB C 38 30.100 31.738 -1.638 2
1 430 . 1 1 A 38 38 TRP N N 38 124.900 123.737 1.163 2
1 432 . 1 1 A 39 39 VAL H H 39 8.450 9.265 -0.815 2
1 433 . 1 1 A 39 39 VAL HA H 39 3.390 4.140 -0.750 2
1 441 . 1 1 A 39 39 VAL CA C 39 64.500 62.571 1.929 2
1 442 . 1 1 A 39 39 VAL CB C 39 31.500 31.361 0.139 2
1 445 . 1 1 A 39 39 VAL N N 39 124.400 124.909 -0.509 2
1 446 . 1 1 A 40 40 GLU H H 40 9.080 8.431 0.649 2
1 447 . 1 1 A 40 40 GLU HA H 40 4.350 4.423 -0.073 2
1 452 . 1 1 A 40 40 GLU CA C 40 54.900 56.766 -1.866 2
1 453 . 1 1 A 40 40 GLU CB C 40 29.500 30.920 -1.420 2
1 455 . 1 1 A 40 40 GLU N N 40 124.200 126.102 -1.902 2
1 456 . 1 1 A 41 41 ARG H H 41 7.610 7.254 0.356 2
1 457 . 1 1 A 41 41 ARG HA H 41 4.070 4.666 -0.596 2
1 464 . 1 1 A 41 41 ARG CA C 41 56.800 54.918 1.882 2
1 465 . 1 1 A 41 41 ARG CB C 41 33.600 33.128 0.472 2
1 468 . 1 1 A 41 41 ARG N N 41 120.000 119.779 0.221 2
1 469 . 1 1 A 42 42 VAL H H 42 8.460 8.596 -0.136 2
1 470 . 1 1 A 42 42 VAL HA H 42 4.300 4.573 -0.273 2
1 478 . 1 1 A 42 42 VAL CA C 42 60.900 61.239 -0.339 2
1 479 . 1 1 A 42 42 VAL CB C 42 32.900 33.179 -0.279 2
1 482 . 1 1 A 42 42 VAL N N 42 125.600 126.044 -0.444 2
1 483 . 1 1 A 43 43 TYR H H 43 9.070 8.810 0.260 2
1 484 . 1 1 A 43 43 TYR HA H 43 4.930 5.204 -0.274 2
1 491 . 1 1 A 43 43 TYR CA C 43 54.600 55.127 -0.528 2
1 492 . 1 1 A 43 43 TYR CB C 43 38.500 39.029 -0.529 2
1 495 . 1 1 A 43 43 TYR N N 43 124.800 126.424 -1.624 2
1 496 . 1 1 A 44 44 PRO HA H 44 4.260 4.533 -0.273 2
1 503 . 1 1 A 44 44 PRO CA C 44 63.200 62.443 0.757 2
1 504 . 1 1 A 44 44 PRO CB C 44 30.100 31.061 -0.961 2
1 507 . 1 1 A 45 45 LEU H H 45 8.270 8.287 -0.017 2
1 508 . 1 1 A 45 45 LEU HA H 45 4.930 4.692 0.238 2
1 518 . 1 1 A 45 45 LEU CA C 45 53.800 53.826 -0.026 2
1 519 . 1 1 A 45 45 LEU CB C 45 45.600 43.173 2.427 2
1 523 . 1 1 A 45 45 LEU N N 45 125.800 123.596 2.204 2
1 524 . 1 1 A 46 46 ASN H H 46 9.120 8.603 0.517 2
1 525 . 1 1 A 46 46 ASN HA H 46 4.630 5.172 -0.542 2
1 530 . 1 1 A 46 46 ASN CA C 46 56.000 52.695 3.305 2
1 531 . 1 1 A 46 46 ASN CB C 46 39.000 40.480 -1.480 2
1 532 . 1 1 A 46 46 ASN N N 46 119.000 119.765 -0.765 2
1 534 . 1 1 A 47 47 ASN H H 47 8.460 8.694 -0.234 2
1 535 . 1 1 A 47 47 ASN HA H 47 5.260 4.994 0.266 2
1 540 . 1 1 A 47 47 ASN CA C 47 51.200 52.524 -1.324 2
1 541 . 1 1 A 47 47 ASN CB C 47 37.700 38.739 -1.039 2
1 542 . 1 1 A 47 47 ASN N N 47 118.500 122.034 -3.534 2
1 544 . 1 1 A 48 48 LEU H H 48 8.890 8.631 0.259 2
1 545 . 1 1 A 48 48 LEU HA H 48 4.070 4.178 -0.108 2
1 555 . 1 1 A 48 48 LEU CA C 48 56.800 57.105 -0.305 2
1 556 . 1 1 A 48 48 LEU CB C 48 41.600 41.951 -0.351 2
1 560 . 1 1 A 48 48 LEU N N 48 127.100 127.455 -0.355 2
1 561 . 1 1 A 49 49 ASP H H 49 7.820 7.824 -0.004 2
1 562 . 1 1 A 49 49 ASP HA H 49 4.430 4.748 -0.318 2
1 565 . 1 1 A 49 49 ASP CA C 49 54.500 54.218 0.282 2
1 566 . 1 1 A 49 49 ASP CB C 49 40.100 41.952 -1.852 2
1 567 . 1 1 A 49 49 ASP N N 49 115.700 118.765 -3.065 2
1 568 . 1 1 A 50 50 GLN H H 50 7.770 8.477 -0.707 2
1 569 . 1 1 A 50 50 GLN HA H 50 3.880 4.356 -0.476 2
1 576 . 1 1 A 50 50 GLN CA C 50 56.000 56.377 -0.377 2
1 577 . 1 1 A 50 50 GLN CB C 50 27.400 28.082 -0.682 2
1 579 . 1 1 A 50 50 GLN N N 50 115.300 121.709 -6.409 2
1 581 . 1 1 A 51 51 SER H H 51 6.370 7.863 -1.493 2
1 582 . 1 1 A 51 51 SER HA H 51 5.210 4.800 0.410 2
1 585 . 1 1 A 51 51 SER CA C 51 53.700 56.364 -2.664 2
1 586 . 1 1 A 51 51 SER CB C 51 66.100 64.547 1.553 2
1 587 . 1 1 A 51 51 SER N N 51 109.000 116.492 -7.492 2
1 588 . 1 1 A 52 52 PRO HA H 52 4.830 4.653 0.177 2
1 595 . 1 1 A 52 52 PRO CA C 52 64.000 64.251 -0.251 2
1 596 . 1 1 A 52 52 PRO CB C 52 33.300 32.155 1.145 2
1 599 . 1 1 A 53 53 GLU H H 53 8.320 8.294 0.026 2
1 600 . 1 1 A 53 53 GLU HA H 53 4.510 4.551 -0.041 2
1 605 . 1 1 A 53 53 GLU CA C 53 55.700 57.012 -1.312 2
1 606 . 1 1 A 53 53 GLU CB C 53 32.400 31.293 1.107 2
1 608 . 1 1 A 53 53 GLU N N 53 113.900 116.771 -2.871 2
1 609 . 1 1 A 54 54 HIS H H 54 7.070 7.777 -0.707 2
1 610 . 1 1 A 54 54 HIS HA H 54 4.750 5.262 -0.512 2
1 614 . 1 1 A 54 54 HIS CA C 54 54.100 54.535 -0.435 2
1 615 . 1 1 A 54 54 HIS CB C 54 31.100 33.199 -2.099 2
1 617 . 1 1 A 54 54 HIS N N 54 112.500 117.603 -5.104 2
1 618 . 1 1 A 55 55 PHE H H 55 7.900 8.762 -0.862 2
1 619 . 1 1 A 55 55 PHE HA H 55 5.580 5.482 0.098 2
1 627 . 1 1 A 55 55 PHE CA C 55 55.400 55.838 -0.438 2
1 628 . 1 1 A 55 55 PHE CB C 55 41.200 42.214 -1.014 2
1 632 . 1 1 A 55 55 PHE N N 55 114.900 119.731 -4.831 2
1 633 . 1 1 A 56 56 SER H H 56 7.690 8.918 -1.228 2
1 634 . 1 1 A 56 56 SER HA H 56 4.300 4.932 -0.632 2
1 637 . 1 1 A 56 56 SER CA C 56 57.800 57.362 0.438 2
1 638 . 1 1 A 56 56 SER CB C 56 65.300 65.764 -0.464 2
1 639 . 1 1 A 56 56 SER N N 56 112.900 117.925 -5.025 2
1 640 . 1 1 A 57 57 MET H H 57 8.750 8.739 0.011 2
1 641 . 1 1 A 57 57 MET HA H 57 4.860 4.992 -0.132 2
1 649 . 1 1 A 57 57 MET CA C 57 54.400 54.244 0.156 2
1 650 . 1 1 A 57 57 MET CB C 57 36.000 34.697 1.303 2
1 653 . 1 1 A 57 57 MET N N 57 120.000 123.088 -3.088 2
1 654 . 1 1 A 58 58 ASP H H 58 10.180 8.496 1.684 2
1 655 . 1 1 A 58 58 ASP HA H 58 4.740 4.840 -0.100 2
1 658 . 1 1 A 58 58 ASP CA C 58 51.700 52.315 -0.615 2
1 659 . 1 1 A 58 58 ASP CB C 58 42.700 41.833 0.867 2
1 660 . 1 1 A 58 58 ASP N N 58 126.600 121.837 4.763 2
1 661 . 1 1 A 59 59 PRO HA H 59 4.400 4.358 0.042 2
1 668 . 1 1 A 59 59 PRO CA C 59 65.300 65.037 0.264 2
1 669 . 1 1 A 59 59 PRO CB C 59 32.300 32.001 0.299 2
1 672 . 1 1 A 60 60 ARG H H 60 8.520 8.537 -0.017 2
1 673 . 1 1 A 60 60 ARG HA H 60 4.120 4.045 0.075 2
1 680 . 1 1 A 60 60 ARG CA C 60 59.200 59.261 -0.061 2
1 681 . 1 1 A 60 60 ARG CB C 60 29.500 29.896 -0.396 2
1 684 . 1 1 A 60 60 ARG N N 60 118.700 118.395 0.305 2
1 685 . 1 1 A 61 61 GLU H H 61 7.730 8.328 -0.598 2
1 686 . 1 1 A 61 61 GLU HA H 61 4.190 4.115 0.075 2
1 691 . 1 1 A 61 61 GLU CA C 61 59.000 59.153 -0.153 2
1 692 . 1 1 A 61 61 GLU CB C 61 30.200 29.335 0.864 2
1 694 . 1 1 A 61 61 GLU N N 61 119.800 119.460 0.340 2
1 695 . 1 1 A 62 62 GLN H H 62 8.220 7.853 0.367 2
1 696 . 1 1 A 62 62 GLN HA H 62 3.830 3.983 -0.153 2
1 703 . 1 1 A 62 62 GLN CA C 62 59.900 58.804 1.096 2
1 704 . 1 1 A 62 62 GLN CB C 62 29.000 28.261 0.739 2
1 706 . 1 1 A 62 62 GLN N N 62 118.700 119.374 -0.674 2
1 708 . 1 1 A 63 63 LEU H H 63 7.950 8.000 -0.050 2
1 709 . 1 1 A 63 63 LEU HA H 63 4.110 4.042 0.068 2
1 719 . 1 1 A 63 63 LEU CA C 63 58.000 58.056 -0.056 2
1 720 . 1 1 A 63 63 LEU CB C 63 41.400 41.582 -0.182 2
1 724 . 1 1 A 63 63 LEU N N 63 119.200 121.938 -2.738 2
1 725 . 1 1 A 64 64 THR H H 64 7.910 7.932 -0.022 2
1 726 . 1 1 A 64 64 THR HA H 64 3.790 3.885 -0.095 2
1 731 . 1 1 A 64 64 THR CA C 64 66.800 66.239 0.562 2
1 732 . 1 1 A 64 64 THR CB C 64 68.700 68.469 0.231 2
1 734 . 1 1 A 64 64 THR N N 64 116.000 114.606 1.394 2
1 735 . 1 1 A 65 65 ALA H H 65 7.520 7.652 -0.132 2
1 736 . 1 1 A 65 65 ALA HA H 65 3.970 3.913 0.057 2
1 740 . 1 1 A 65 65 ALA CA C 65 55.100 54.966 0.134 2
1 741 . 1 1 A 65 65 ALA CB C 65 17.900 18.063 -0.163 2
1 742 . 1 1 A 65 65 ALA N N 65 125.200 123.654 1.546 2
1 743 . 1 1 A 66 66 VAL H H 66 8.420 8.079 0.341 2
1 744 . 1 1 A 66 66 VAL HA H 66 3.840 3.367 0.473 2
1 752 . 1 1 A 66 66 VAL CA C 66 66.200 67.002 -0.802 2
1 753 . 1 1 A 66 66 VAL CB C 66 31.700 31.428 0.272 2
1 756 . 1 1 A 66 66 VAL N N 66 119.300 118.807 0.493 2
1 757 . 1 1 A 67 67 LYS H H 67 8.570 8.084 0.486 2
1 758 . 1 1 A 67 67 LYS HA H 67 3.960 3.948 0.012 2
1 767 . 1 1 A 67 67 LYS CA C 67 60.300 59.636 0.664 2
1 768 . 1 1 A 67 67 LYS CB C 67 32.200 32.143 0.057 2
1 772 . 1 1 A 67 67 LYS N N 67 120.600 119.978 0.622 2
1 773 . 1 1 A 68 68 ASP H H 68 7.660 8.033 -0.373 2
1 774 . 1 1 A 68 68 ASP HA H 68 4.290 4.402 -0.112 2
1 777 . 1 1 A 68 68 ASP CA C 68 58.300 57.662 0.638 2
1 778 . 1 1 A 68 68 ASP CB C 68 42.700 41.182 1.518 2
1 779 . 1 1 A 68 68 ASP N N 68 121.500 119.563 1.937 2
1 780 . 1 1 A 69 69 MET H H 69 8.620 8.240 0.380 2
1 781 . 1 1 A 69 69 MET HA H 69 4.250 4.376 -0.126 2
1 789 . 1 1 A 69 69 MET CA C 69 60.300 58.742 1.558 2
1 790 . 1 1 A 69 69 MET CB C 69 32.700 32.260 0.440 2
1 793 . 1 1 A 69 69 MET N N 69 120.100 118.998 1.102 2
1 794 . 1 1 A 70 70 ARG H H 70 8.500 8.363 0.137 2
1 795 . 1 1 A 70 70 ARG HA H 70 4.110 4.167 -0.057 2
1 802 . 1 1 A 70 70 ARG CA C 70 59.200 58.878 0.322 2
1 803 . 1 1 A 70 70 ARG CB C 70 29.600 29.650 -0.050 2
1 806 . 1 1 A 70 70 ARG N N 70 119.000 119.322 -0.322 2
1 807 . 1 1 A 71 71 LYS H H 71 8.020 7.859 0.161 2
1 808 . 1 1 A 71 71 LYS HA H 71 3.970 4.040 -0.070 2
1 817 . 1 1 A 71 71 LYS CA C 71 58.800 59.177 -0.377 2
1 818 . 1 1 A 71 71 LYS CB C 71 32.000 32.126 -0.126 2
1 822 . 1 1 A 71 71 LYS N N 71 121.100 119.788 1.312 2
1 823 . 1 1 A 72 72 ASN H H 72 6.960 7.672 -0.712 2
1 824 . 1 1 A 72 72 ASN HA H 72 4.090 4.637 -0.547 2
1 829 . 1 1 A 72 72 ASN CA C 72 53.300 52.918 0.382 2
1 830 . 1 1 A 72 72 ASN CB C 72 39.000 38.796 0.204 2
1 831 . 1 1 A 72 72 ASN N N 72 114.600 114.827 -0.227 2
1 833 . 1 1 A 73 73 GLY H H 73 7.560 7.857 -0.297 2
1 834 . 1 1 A 73 73 GLY HA2 H 73 3.890 3.775 0.115 2
1 835 . 1 1 A 73 73 GLY HA3 H 73 3.760 3.884 -0.124 2
1 836 . 1 1 A 73 73 GLY CA C 73 45.900 45.347 0.553 2
1 837 . 1 1 A 73 73 GLY N N 73 106.700 106.846 -0.146 2
1 838 . 1 1 A 74 74 TRP H H 74 8.240 7.941 0.299 2
1 839 . 1 1 A 74 74 TRP HA H 74 5.260 4.912 0.348 2
1 848 . 1 1 A 74 74 TRP CA C 74 53.100 56.947 -3.847 2
1 849 . 1 1 A 74 74 TRP CB C 74 31.400 32.178 -0.778 2
1 855 . 1 1 A 74 74 TRP N N 74 120.700 120.412 0.288 2
1 857 . 1 1 A 75 75 VAL H H 75 9.410 9.121 0.289 2
1 858 . 1 1 A 75 75 VAL HA H 75 4.800 4.899 -0.099 2
1 866 . 1 1 A 75 75 VAL CA C 75 58.500 59.106 -0.606 2
1 867 . 1 1 A 75 75 VAL CB C 75 35.500 35.543 -0.043 2
1 870 . 1 1 A 75 75 VAL N N 75 112.100 116.060 -3.960 2
1 871 . 1 1 A 76 76 MET H H 76 8.800 8.742 0.058 2
1 872 . 1 1 A 76 76 MET HA H 76 4.650 4.641 0.009 2
1 880 . 1 1 A 76 76 MET CA C 76 56.900 55.381 1.519 2
1 881 . 1 1 A 76 76 MET CB C 76 32.600 33.165 -0.565 2
1 884 . 1 1 A 76 76 MET N N 76 122.400 122.857 -0.457 2
1 885 . 1 1 A 77 77 LEU H H 77 8.780 9.288 -0.508 2
1 886 . 1 1 A 77 77 LEU HA H 77 4.480 4.572 -0.092 2
1 896 . 1 1 A 77 77 LEU CA C 77 54.100 55.470 -1.370 2
1 897 . 1 1 A 77 77 LEU CB C 77 44.700 42.947 1.753 2
1 901 . 1 1 A 77 77 LEU N N 77 125.600 127.358 -1.758 2
1 902 . 1 1 A 78 78 GLY H H 78 7.590 7.259 0.331 2
1 903 . 1 1 A 78 78 GLY HA2 H 78 5.150 4.007 1.143 2
1 904 . 1 1 A 78 78 GLY HA3 H 78 3.660 4.024 -0.364 2
1 905 . 1 1 A 78 78 GLY CA C 78 45.700 45.245 0.455 2
1 906 . 1 1 A 78 78 GLY N N 78 102.900 105.083 -2.183 2
1 907 . 1 1 A 79 79 ASN H H 79 8.520 8.436 0.084 2
1 908 . 1 1 A 79 79 ASN HA H 79 5.230 5.617 -0.387 2
1 913 . 1 1 A 79 79 ASN CA C 79 51.100 51.619 -0.519 2
1 914 . 1 1 A 79 79 ASN CB C 79 41.500 42.315 -0.815 2
1 915 . 1 1 A 79 79 ASN N N 79 115.600 117.373 -1.773 2
1 917 . 1 1 A 80 80 PHE H H 80 8.410 8.444 -0.033 2
1 918 . 1 1 A 80 80 PHE HA H 80 6.120 5.927 0.193 2
1 926 . 1 1 A 80 80 PHE CA C 80 54.500 55.658 -1.159 2
1 927 . 1 1 A 80 80 PHE CB C 80 44.800 42.937 1.863 2
1 931 . 1 1 A 80 80 PHE N N 80 113.100 116.351 -3.251 2
1 932 . 1 1 A 81 81 HIS H H 81 8.310 9.209 -0.899 2
1 933 . 1 1 A 81 81 HIS HA H 81 5.300 5.590 -0.290 2
1 938 . 1 1 A 81 81 HIS CA C 81 54.400 54.351 0.049 2
1 939 . 1 1 A 81 81 HIS CB C 81 30.300 32.715 -2.415 2
1 942 . 1 1 A 81 81 HIS N N 81 111.600 117.595 -5.995 2
1 943 . 1 1 A 82 82 SER H H 82 8.390 8.823 -0.433 2
1 944 . 1 1 A 82 82 SER HA H 82 5.510 5.422 0.088 2
1 947 . 1 1 A 82 82 SER CA C 82 54.800 56.416 -1.616 2
1 948 . 1 1 A 82 82 SER CB C 82 66.700 65.951 0.749 2
1 949 . 1 1 A 82 82 SER N N 82 112.700 117.476 -4.776 2
1 950 . 1 1 A 83 83 HIS H H 83 8.890 8.889 0.002 2
1 951 . 1 1 A 83 83 HIS HA H 83 5.480 4.873 0.607 2
1 956 . 1 1 A 83 83 HIS CA C 83 49.900 54.145 -4.245 2
1 957 . 1 1 A 83 83 HIS CB C 83 32.000 31.392 0.608 2
1 960 . 1 1 A 83 83 HIS N N 83 115.200 121.509 -6.309 2
1 961 . 1 1 A 84 84 PRO HA H 84 3.940 4.422 -0.482 2
1 968 . 1 1 A 84 84 PRO CA C 84 65.600 65.017 0.583 2
1 969 . 1 1 A 84 84 PRO CB C 84 33.300 32.025 1.275 2
1 972 . 1 1 A 85 85 ALA H H 85 8.410 8.193 0.217 2
1 973 . 1 1 A 85 85 ALA HA H 85 4.670 4.533 0.137 2
1 977 . 1 1 A 85 85 ALA CA C 85 51.300 51.598 -0.298 2
1 978 . 1 1 A 85 85 ALA CB C 85 21.200 19.668 1.532 2
1 979 . 1 1 A 85 85 ALA N N 85 112.800 119.073 -6.273 2
1 980 . 1 1 A 86 86 THR H H 86 7.070 7.674 -0.604 2
1 981 . 1 1 A 86 86 THR HA H 86 4.960 5.036 -0.076 2
1 986 . 1 1 A 86 86 THR CA C 86 58.600 58.606 -0.006 2
1 987 . 1 1 A 86 86 THR CB C 86 69.500 70.444 -0.944 2
1 989 . 1 1 A 86 86 THR N N 86 109.200 109.382 -0.182 2
1 990 . 1 1 A 87 87 PRO HA H 87 4.630 4.772 -0.142 2
1 997 . 1 1 A 87 87 PRO CA C 87 62.700 62.516 0.184 2
1 998 . 1 1 A 87 87 PRO CB C 87 33.500 32.891 0.609 2
1 1001 . 1 1 A 88 88 ALA H H 88 9.760 8.384 1.376 2
1 1002 . 1 1 A 88 88 ALA HA H 88 3.960 4.514 -0.554 2
1 1006 . 1 1 A 88 88 ALA CA C 88 51.700 51.675 0.025 2
1 1007 . 1 1 A 88 88 ALA CB C 88 16.300 18.505 -2.205 2
1 1008 . 1 1 A 88 88 ALA N N 88 127.600 122.987 4.613 2
1 1009 . 1 1 A 89 89 ARG H H 89 7.570 8.057 -0.487 2
1 1010 . 1 1 A 89 89 ARG HA H 89 4.280 4.238 0.042 2
1 1017 . 1 1 A 89 89 ARG CA C 89 53.200 53.679 -0.479 2
1 1018 . 1 1 A 89 89 ARG CB C 89 31.300 32.304 -1.004 2
1 1021 . 1 1 A 89 89 ARG N N 89 118.300 119.538 -1.238 2
1 1022 . 1 1 A 90 90 PRO HA H 90 4.510 4.566 -0.056 2
1 1029 . 1 1 A 90 90 PRO CA C 90 62.900 62.591 0.309 2
1 1030 . 1 1 A 90 90 PRO CB C 90 31.300 31.728 -0.428 2
1 1033 . 1 1 A 91 91 SER H H 91 9.630 8.513 1.117 2
1 1034 . 1 1 A 91 91 SER HA H 91 4.600 4.636 -0.036 2
1 1037 . 1 1 A 91 91 SER CA C 91 56.500 57.716 -1.216 2
1 1038 . 1 1 A 91 91 SER CB C 91 66.000 64.662 1.338 2
1 1039 . 1 1 A 91 91 SER N N 91 122.500 117.459 5.041 2
1 1040 . 1 1 A 92 92 ALA H H 92 8.910 8.974 -0.064 2
1 1041 . 1 1 A 92 92 ALA HA H 92 3.980 3.965 0.015 2
1 1045 . 1 1 A 92 92 ALA CA C 92 55.900 55.346 0.554 2
1 1046 . 1 1 A 92 92 ALA CB C 92 17.800 18.113 -0.313 2
1 1047 . 1 1 A 92 92 ALA N N 92 123.000 125.353 -2.353 2
1 1048 . 1 1 A 93 93 GLU H H 93 8.370 8.049 0.321 2
1 1049 . 1 1 A 93 93 GLU HA H 93 4.070 3.972 0.098 2
1 1054 . 1 1 A 93 93 GLU CA C 93 58.900 59.442 -0.542 2
1 1055 . 1 1 A 93 93 GLU CB C 93 28.800 29.404 -0.604 2
1 1057 . 1 1 A 93 93 GLU N N 93 118.800 117.722 1.078 2
1 1058 . 1 1 A 94 94 ASP H H 94 7.770 8.216 -0.446 2
1 1059 . 1 1 A 94 94 ASP HA H 94 4.260 4.362 -0.102 2
1 1062 . 1 1 A 94 94 ASP CA C 94 57.100 57.087 0.013 2
1 1063 . 1 1 A 94 94 ASP CB C 94 40.200 40.826 -0.626 2
1 1064 . 1 1 A 94 94 ASP N N 94 119.200 120.042 -0.842 2
1 1065 . 1 1 A 95 95 LYS H H 95 7.830 8.119 -0.289 2
1 1066 . 1 1 A 95 95 LYS HA H 95 3.720 3.831 -0.111 2
1 1075 . 1 1 A 95 95 LYS CA C 95 59.500 59.137 0.363 2
1 1076 . 1 1 A 95 95 LYS CB C 95 31.900 32.043 -0.143 2
1 1080 . 1 1 A 95 95 LYS N N 95 116.400 119.995 -3.595 2
1 1081 . 1 1 A 96 96 ARG H H 96 7.570 7.546 0.024 2
1 1082 . 1 1 A 96 96 ARG HA H 96 3.940 3.983 -0.043 2
1 1089 . 1 1 A 96 96 ARG CA C 96 58.500 58.354 0.146 2
1 1090 . 1 1 A 96 96 ARG CB C 96 30.100 30.042 0.058 2
1 1093 . 1 1 A 96 96 ARG N N 96 119.400 118.850 0.550 2
1 1094 . 1 1 A 97 97 LEU H H 97 7.270 7.349 -0.079 2
1 1095 . 1 1 A 97 97 LEU HA H 97 4.030 3.957 0.073 2
1 1105 . 1 1 A 97 97 LEU CA C 97 54.400 54.561 -0.161 2
1 1106 . 1 1 A 97 97 LEU CB C 97 41.600 41.262 0.338 2
1 1110 . 1 1 A 97 97 LEU N N 97 116.100 117.234 -1.134 2
1 1111 . 1 1 A 98 98 ALA H H 98 6.950 6.964 -0.014 2
1 1112 . 1 1 A 98 98 ALA HA H 98 4.230 4.310 -0.080 2
1 1116 . 1 1 A 98 98 ALA CA C 98 50.800 50.963 -0.163 2
1 1117 . 1 1 A 98 98 ALA CB C 98 16.700 18.459 -1.759 2
1 1118 . 1 1 A 98 98 ALA N N 98 124.800 123.213 1.587 2
1 1119 . 1 1 A 99 99 PHE H H 99 7.630 8.497 -0.867 2
1 1120 . 1 1 A 99 99 PHE HA H 99 4.490 4.659 -0.169 2
1 1128 . 1 1 A 99 99 PHE CA C 99 58.200 58.410 -0.210 2
1 1129 . 1 1 A 99 99 PHE CB C 99 39.500 39.850 -0.350 2
1 1133 . 1 1 A 99 99 PHE N N 99 120.400 122.609 -2.209 2
1 1134 . 1 1 A 100 100 ASP H H 100 7.320 7.889 -0.569 2
1 1135 . 1 1 A 100 100 ASP HA H 100 5.240 5.038 0.202 2
1 1138 . 1 1 A 100 100 ASP CA C 100 49.900 51.829 -1.929 2
1 1139 . 1 1 A 100 100 ASP CB C 100 42.200 41.424 0.776 2
1 1140 . 1 1 A 100 100 ASP N N 100 118.200 119.576 -1.376 2
1 1141 . 1 1 A 101 101 PRO HA H 101 5.040 4.612 0.428 2
1 1148 . 1 1 A 101 101 PRO CA C 101 64.200 64.535 -0.335 2
1 1149 . 1 1 A 101 101 PRO CB C 101 32.800 31.962 0.838 2
1 1152 . 1 1 A 102 102 SER H H 102 8.950 8.127 0.823 2
1 1153 . 1 1 A 102 102 SER HA H 102 4.530 4.692 -0.162 2
1 1156 . 1 1 A 102 102 SER CA C 102 59.300 58.392 0.908 2
1 1157 . 1 1 A 102 102 SER CB C 102 64.500 64.305 0.195 2
1 1158 . 1 1 A 102 102 SER N N 102 117.700 112.162 5.538 2
1 1159 . 1 1 A 103 103 LEU H H 103 6.850 7.700 -0.850 2
1 1160 . 1 1 A 103 103 LEU HA H 103 4.200 4.393 -0.193 2
1 1170 . 1 1 A 103 103 LEU CA C 103 53.700 54.119 -0.419 2
1 1171 . 1 1 A 103 103 LEU CB C 103 41.800 42.818 -1.018 2
1 1175 . 1 1 A 103 103 LEU N N 103 121.100 123.083 -1.983 2
1 1176 . 1 1 A 104 104 SER H H 104 8.080 8.641 -0.561 2
1 1177 . 1 1 A 104 104 SER HA H 104 4.310 4.919 -0.609 2
1 1180 . 1 1 A 104 104 SER CA C 104 60.300 57.873 2.427 2
1 1181 . 1 1 A 104 104 SER CB C 104 63.300 64.130 -0.830 2
1 1182 . 1 1 A 104 104 SER N N 104 116.100 118.267 -2.167 2
1 1183 . 1 1 A 105 105 TYR H H 105 8.790 9.195 -0.405 2
1 1184 . 1 1 A 105 105 TYR HA H 105 4.750 5.220 -0.470 2
1 1191 . 1 1 A 105 105 TYR CA C 105 57.100 56.915 0.185 2
1 1192 . 1 1 A 105 105 TYR CB C 105 37.700 39.083 -1.383 2
1 1195 . 1 1 A 105 105 TYR N N 105 122.700 126.112 -3.412 2
1 1196 . 1 1 A 106 106 LEU H H 106 8.750 9.075 -0.325 2
1 1197 . 1 1 A 106 106 LEU HA H 106 5.290 5.071 0.219 2
1 1207 . 1 1 A 106 106 LEU CA C 106 56.000 54.049 1.951 2
1 1208 . 1 1 A 106 106 LEU CB C 106 43.400 42.968 0.432 2
1 1212 . 1 1 A 106 106 LEU N N 106 125.200 125.525 -0.325 2
1 1213 . 1 1 A 107 107 ILE H H 107 9.480 9.151 0.329 2
1 1214 . 1 1 A 107 107 ILE HA H 107 4.630 5.071 -0.441 2
1 1224 . 1 1 A 107 107 ILE CA C 107 59.700 59.994 -0.294 2
1 1225 . 1 1 A 107 107 ILE CB C 107 40.500 40.296 0.204 2
1 1229 . 1 1 A 107 107 ILE N N 107 123.800 124.229 -0.429 2
1 1230 . 1 1 A 108 108 ILE H H 108 7.820 9.218 -1.398 2
1 1231 . 1 1 A 108 108 ILE HA H 108 4.950 5.078 -0.128 2
1 1241 . 1 1 A 108 108 ILE CA C 108 58.600 59.971 -1.371 2
1 1242 . 1 1 A 108 108 ILE CB C 108 41.700 39.883 1.817 2
1 1246 . 1 1 A 108 108 ILE N N 108 125.200 129.577 -4.377 2
1 1247 . 1 1 A 109 109 SER H H 109 9.780 9.079 0.701 2
1 1248 . 1 1 A 109 109 SER HA H 109 5.430 4.947 0.483 2
1 1251 . 1 1 A 109 109 SER CA C 109 56.400 56.662 -0.262 2
1 1252 . 1 1 A 109 109 SER CB C 109 64.900 64.153 0.747 2
1 1253 . 1 1 A 109 109 SER N N 109 120.300 122.319 -2.019 2
1 1254 . 1 1 A 110 110 LEU H H 110 8.110 8.786 -0.676 2
1 1255 . 1 1 A 110 110 LEU HA H 110 4.630 4.598 0.032 2
1 1265 . 1 1 A 110 110 LEU CA C 110 53.300 54.454 -1.154 2
1 1266 . 1 1 A 110 110 LEU CB C 110 41.100 41.546 -0.446 2
1 1270 . 1 1 A 110 110 LEU N N 110 130.700 129.166 1.534 2
1 1271 . 1 1 A 111 111 ALA H H 111 7.390 7.965 -0.575 2
1 1272 . 1 1 A 111 111 ALA HA H 111 3.920 4.255 -0.335 2
1 1276 . 1 1 A 111 111 ALA CA C 111 55.200 54.258 0.941 2
1 1277 . 1 1 A 111 111 ALA CB C 111 17.900 18.795 -0.895 2
1 1278 . 1 1 A 111 111 ALA N N 111 121.000 123.122 -2.122 2
1 1279 . 1 1 A 112 112 GLU H H 112 8.290 7.848 0.442 2
1 1280 . 1 1 A 112 112 GLU HA H 112 4.830 4.707 0.123 2
1 1285 . 1 1 A 112 112 GLU CA C 112 52.600 53.254 -0.654 2
1 1286 . 1 1 A 112 112 GLU CB C 112 29.300 31.161 -1.861 2
1 1288 . 1 1 A 112 112 GLU N N 112 116.400 116.971 -0.571 2
1 1289 . 1 1 A 113 113 PRO HA H 113 3.940 4.446 -0.506 2
1 1296 . 1 1 A 113 113 PRO CA C 113 65.600 64.311 1.289 2
1 1297 . 1 1 A 113 113 PRO CB C 113 31.900 31.987 -0.087 2
1 1300 . 1 1 A 114 114 GLN H H 114 8.610 8.561 0.049 2
1 1301 . 1 1 A 114 114 GLN HA H 114 4.250 4.191 0.059 2
1 1308 . 1 1 A 114 114 GLN CA C 114 56.100 57.477 -1.377 2
1 1309 . 1 1 A 114 114 GLN CB C 114 28.300 29.222 -0.922 2
1 1311 . 1 1 A 114 114 GLN N N 114 113.500 116.812 -3.312 2
1 1313 . 1 1 A 115 115 LYS H H 115 8.040 7.662 0.378 2
1 1314 . 1 1 A 115 115 LYS HA H 115 4.620 4.721 -0.102 2
1 1323 . 1 1 A 115 115 LYS CA C 115 53.500 53.753 -0.253 2
1 1324 . 1 1 A 115 115 LYS CB C 115 33.400 33.277 0.123 2
1 1328 . 1 1 A 115 115 LYS N N 115 121.000 119.371 1.629 2
1 1329 . 1 1 A 116 116 PRO HA H 116 4.560 4.742 -0.182 2
1 1336 . 1 1 A 116 116 PRO CA C 116 62.900 62.801 0.099 2
1 1337 . 1 1 A 116 116 PRO CB C 116 32.500 31.922 0.577 2
1 1340 . 1 1 A 117 117 VAL H H 117 7.850 8.276 -0.426 2
1 1341 . 1 1 A 117 117 VAL HA H 117 4.360 4.246 0.114 2
1 1349 . 1 1 A 117 117 VAL CA C 117 61.200 61.809 -0.609 2
1 1350 . 1 1 A 117 117 VAL CB C 117 35.900 31.762 4.138 2
1 1353 . 1 1 A 117 117 VAL N N 117 120.600 123.481 -2.881 2
1 1354 . 1 1 A 118 118 CYS H H 118 8.820 8.992 -0.172 2
1 1355 . 1 1 A 118 118 CYS HA H 118 5.340 5.413 -0.073 2
1 1358 . 1 1 A 118 118 CYS CA C 118 56.400 56.926 -0.526 2
1 1359 . 1 1 A 118 118 CYS CB C 118 28.700 29.646 -0.946 2
1 1360 . 1 1 A 118 118 CYS N N 118 127.100 126.693 0.407 2
1 1361 . 1 1 A 119 119 LYS H H 119 8.530 8.778 -0.248 2
1 1362 . 1 1 A 119 119 LYS HA H 119 4.590 4.830 -0.240 2
1 1371 . 1 1 A 119 119 LYS CA C 119 54.900 54.619 0.281 2
1 1372 . 1 1 A 119 119 LYS CB C 119 39.600 36.415 3.185 2
1 1376 . 1 1 A 119 119 LYS N N 119 126.400 125.595 0.805 2
1 1377 . 1 1 A 120 120 SER H H 120 8.220 8.402 -0.182 2
1 1378 . 1 1 A 120 120 SER HA H 120 4.870 5.182 -0.312 2
1 1381 . 1 1 A 120 120 SER CA C 120 56.300 56.564 -0.264 2
1 1382 . 1 1 A 120 120 SER CB C 120 63.300 64.810 -1.510 2
1 1383 . 1 1 A 120 120 SER N N 120 114.500 116.810 -2.310 2
1 1384 . 1 1 A 121 121 PHE H H 121 8.450 9.534 -1.084 2
1 1385 . 1 1 A 121 121 PHE HA H 121 5.160 5.230 -0.070 2
1 1393 . 1 1 A 121 121 PHE CA C 121 57.200 56.273 0.927 2
1 1394 . 1 1 A 121 121 PHE CB C 121 42.700 42.048 0.652 2
1 1398 . 1 1 A 121 121 PHE N N 121 124.400 124.812 -0.412 2
1 1399 . 1 1 A 122 122 LEU H H 122 9.070 9.697 -0.627 2
1 1400 . 1 1 A 122 122 LEU HA H 122 5.270 5.018 0.252 2
1 1410 . 1 1 A 122 122 LEU CA C 122 53.300 53.808 -0.508 2
1 1411 . 1 1 A 122 122 LEU CB C 122 42.200 42.249 -0.049 2
1 1415 . 1 1 A 122 122 LEU N N 122 120.900 123.917 -3.017 2
1 1416 . 1 1 A 123 123 ILE H H 123 9.730 8.999 0.731 2
1 1417 . 1 1 A 123 123 ILE HA H 123 4.290 4.530 -0.240 2
1 1427 . 1 1 A 123 123 ILE CA C 123 61.400 60.699 0.701 2
1 1428 . 1 1 A 123 123 ILE CB C 123 38.000 37.659 0.341 2
1 1432 . 1 1 A 123 123 ILE N N 123 125.900 125.694 0.206 2
1 1433 . 1 1 A 124 124 LYS H H 124 8.080 8.957 -0.877 2
1 1434 . 1 1 A 124 124 LYS HA H 124 4.720 4.671 0.049 2
1 1443 . 1 1 A 124 124 LYS CA C 124 54.100 54.641 -0.541 2
1 1444 . 1 1 A 124 124 LYS CB C 124 34.700 34.607 0.093 2
1 1448 . 1 1 A 124 124 LYS N N 124 124.600 127.706 -3.106 2
1 1449 . 1 1 A 125 125 LYS H H 125 8.830 8.908 -0.078 2
1 1450 . 1 1 A 125 125 LYS HA H 125 4.000 3.908 0.092 2
1 1459 . 1 1 A 125 125 LYS CA C 125 59.000 59.855 -0.855 2
1 1460 . 1 1 A 125 125 LYS CB C 125 31.700 32.404 -0.704 2
1 1464 . 1 1 A 125 125 LYS N N 125 120.900 123.701 -2.801 2
1 1465 . 1 1 A 126 126 ASP H H 126 8.160 7.994 0.166 2
1 1466 . 1 1 A 126 126 ASP HA H 126 4.650 4.514 0.136 2
1 1469 . 1 1 A 126 126 ASP CA C 126 53.100 55.696 -2.596 2
1 1470 . 1 1 A 126 126 ASP CB C 126 40.300 41.413 -1.113 2
1 1471 . 1 1 A 126 126 ASP N N 126 113.200 118.509 -5.309 2
1 1472 . 1 1 A 127 127 GLY H H 127 7.370 7.550 -0.180 2
1 1473 . 1 1 A 127 127 GLY HA2 H 127 4.300 4.063 0.237 2
1 1474 . 1 1 A 127 127 GLY HA3 H 127 3.900 4.074 -0.174 2
1 1475 . 1 1 A 127 127 GLY CA C 127 45.200 45.547 -0.347 2
1 1476 . 1 1 A 127 127 GLY N N 127 107.600 105.316 2.284 2
1 1477 . 1 1 A 128 128 VAL H H 128 8.130 8.452 -0.322 2
1 1478 . 1 1 A 128 128 VAL HA H 128 4.900 5.109 -0.209 2
1 1486 . 1 1 A 128 128 VAL CA C 128 60.900 59.920 0.980 2
1 1487 . 1 1 A 128 128 VAL CB C 128 34.000 34.610 -0.610 2
1 1490 . 1 1 A 128 128 VAL N N 128 118.900 120.406 -1.506 2
1 1491 . 1 1 A 129 129 ASP H H 129 9.250 9.208 0.042 2
1 1492 . 1 1 A 129 129 ASP HA H 129 5.220 5.322 -0.102 2
1 1495 . 1 1 A 129 129 ASP CA C 129 52.300 52.740 -0.440 2
1 1496 . 1 1 A 129 129 ASP CB C 129 43.600 44.118 -0.518 2
1 1497 . 1 1 A 129 129 ASP N N 129 126.500 128.581 -2.081 2
1 1498 . 1 1 A 130 130 GLU H H 130 8.900 8.782 0.118 2
1 1499 . 1 1 A 130 130 GLU HA H 130 4.420 4.705 -0.285 2
1 1504 . 1 1 A 130 130 GLU CA C 130 56.400 55.882 0.518 2
1 1505 . 1 1 A 130 130 GLU CB C 130 29.800 30.552 -0.752 2
1 1507 . 1 1 A 130 130 GLU N N 130 124.000 124.654 -0.654 2
1 1508 . 1 1 A 131 131 GLU H H 131 8.860 8.990 -0.130 2
1 1509 . 1 1 A 131 131 GLU HA H 131 4.430 4.843 -0.413 2
1 1514 . 1 1 A 131 131 GLU CA C 131 53.500 54.950 -1.450 2
1 1515 . 1 1 A 131 131 GLU CB C 131 32.500 32.274 0.226 2
1 1517 . 1 1 A 131 131 GLU N N 131 129.200 125.453 3.747 2
1 1518 . 1 1 A 132 132 GLU H H 132 8.610 8.624 -0.014 2
1 1519 . 1 1 A 132 132 GLU HA H 132 4.050 4.633 -0.583 2
1 1524 . 1 1 A 132 132 GLU CA C 132 57.100 55.820 1.280 2
1 1525 . 1 1 A 132 132 GLU CB C 132 30.100 31.071 -0.971 2
1 1527 . 1 1 A 132 132 GLU N N 132 126.400 124.942 1.458 2
1 1528 . 1 1 A 133 133 ILE H H 133 8.200 8.696 -0.496 2
1 1529 . 1 1 A 133 133 ILE HA H 133 4.740 4.693 0.047 2
1 1539 . 1 1 A 133 133 ILE CA C 133 60.000 59.690 0.310 2
1 1540 . 1 1 A 133 133 ILE CB C 133 39.300 38.798 0.502 2
1 1544 . 1 1 A 133 133 ILE N N 133 124.500 124.754 -0.254 2
1 1545 . 1 1 A 134 134 ILE H H 134 9.000 9.454 -0.454 2
1 1546 . 1 1 A 134 134 ILE HA H 134 4.190 4.798 -0.608 2
1 1556 . 1 1 A 134 134 ILE CA C 134 59.000 59.710 -0.710 2
1 1557 . 1 1 A 134 134 ILE CB C 134 38.300 39.134 -0.834 2
1 1561 . 1 1 A 134 134 ILE N N 134 130.900 128.430 2.470 2
1 1562 . 1 1 A 135 135 LEU H H 135 8.360 9.035 -0.675 2
1 1563 . 1 1 A 135 135 LEU HA H 135 5.190 5.329 -0.139 2
1 1573 . 1 1 A 135 135 LEU CA C 135 52.700 53.482 -0.782 2
1 1574 . 1 1 A 135 135 LEU CB C 135 42.800 43.721 -0.921 2
1 1578 . 1 1 A 135 135 LEU N N 135 127.100 127.912 -0.812 2
1 1579 . 1 1 A 136 136 LYS H H 136 8.790 8.761 0.029 2
1 1580 . 1 1 A 136 136 LYS HA H 136 4.330 4.725 -0.395 2
1 1589 . 1 1 A 136 136 LYS CA C 136 55.600 54.679 0.921 2
1 1590 . 1 1 A 136 136 LYS CB C 136 34.600 35.101 -0.501 2
1 1594 . 1 1 A 136 136 LYS N N 136 125.100 123.373 1.727 2
1 1595 . 1 1 A 137 137 GLU H H 137 8.850 8.818 0.032 2
1 1596 . 1 1 A 137 137 GLU HA H 137 4.240 4.259 -0.019 2
1 1601 . 1 1 A 137 137 GLU CA C 137 57.600 58.025 -0.425 2
1 1602 . 1 1 A 137 137 GLU CB C 137 29.900 30.810 -0.910 2
1 1604 . 1 1 A 137 137 GLU N N 137 121.100 121.918 -0.818 2
1 1605 . 1 1 A 138 138 GLU H H 138 8.150 7.690 0.460 2
1 1606 . 1 1 A 138 138 GLU HA H 138 4.370 4.712 -0.342 2
1 1611 . 1 1 A 138 138 GLU CA C 138 55.800 55.156 0.644 2
1 1612 . 1 1 A 138 138 GLU CB C 138 30.700 32.771 -2.071 2
1 1614 . 1 1 A 138 138 GLU N N 138 119.300 118.403 0.897 2
1 1615 . 1 1 A 139 139 LEU H H 139 8.240 8.507 -0.267 2
1 1616 . 1 1 A 139 139 LEU HA H 139 4.180 4.408 -0.228 2
1 1626 . 1 1 A 139 139 LEU CA C 139 55.400 54.580 0.820 2
1 1627 . 1 1 A 139 139 LEU CB C 139 42.300 42.460 -0.160 2
1 1631 . 1 1 A 139 139 LEU N N 139 122.800 123.621 -0.821 2
1 1632 . 1 1 A 140 140 GLU H H 140 8.250 8.648 -0.398 2
1 1633 . 1 1 A 140 140 GLU HA H 140 4.150 4.341 -0.191 2
1 1638 . 1 1 A 140 140 GLU CA C 140 56.400 56.507 -0.107 2
1 1639 . 1 1 A 140 140 GLU CB C 140 29.900 29.722 0.178 2
1 1641 . 1 1 A 140 140 GLU N N 140 120.700 120.808 -0.108 2
1 1642 . 1 1 A 141 141 HIS H H 141 8.400 8.530 -0.130 2
stop_
save_