data_16557_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16557 _Entry.PDB_ID 2KPJ _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 1 A 4 4 ASP H H 4 8.270 8.746 -0.476 1 1 2 . 1 1 1 A 4 4 ASP HA H 4 4.550 4.711 -0.161 1 1 5 . 1 1 1 A 4 4 ASP CA C 4 54.700 54.515 0.185 1 1 6 . 1 1 1 A 4 4 ASP CB C 4 41.400 42.243 -0.843 1 1 7 . 1 1 1 A 4 4 ASP N N 4 121.200 125.120 -3.920 1 1 8 . 1 1 1 A 5 5 LYS HA H 5 4.160 3.895 0.265 1 1 13 . 1 1 1 A 5 5 LYS CA C 5 58.300 59.428 -1.128 1 1 14 . 1 1 1 A 5 5 LYS CB C 5 32.400 32.340 0.060 1 1 16 . 1 1 1 A 6 6 GLN H H 6 8.170 8.133 0.037 1 1 17 . 1 1 1 A 6 6 GLN HA H 6 4.090 4.018 0.072 1 1 24 . 1 1 1 A 6 6 GLN CA C 6 59.000 59.434 -0.434 1 1 25 . 1 1 1 A 6 6 GLN CB C 6 28.500 28.169 0.331 1 1 27 . 1 1 1 A 6 6 GLN N N 6 117.400 118.054 -0.654 1 1 29 . 1 1 1 A 7 7 LYS H H 7 7.970 8.166 -0.196 1 1 30 . 1 1 1 A 7 7 LYS HA H 7 4.030 4.132 -0.102 1 1 39 . 1 1 1 A 7 7 LYS CA C 7 59.500 59.062 0.438 1 1 40 . 1 1 1 A 7 7 LYS CB C 7 32.500 32.091 0.409 1 1 44 . 1 1 1 A 7 7 LYS N N 7 119.400 118.543 0.857 1 1 45 . 1 1 1 A 8 8 ALA H H 8 7.980 7.664 0.316 1 1 46 . 1 1 1 A 8 8 ALA HA H 8 4.110 4.144 -0.034 1 1 50 . 1 1 1 A 8 8 ALA CA C 8 55.000 54.786 0.214 1 1 51 . 1 1 1 A 8 8 ALA CB C 8 18.100 18.494 -0.394 1 1 52 . 1 1 1 A 8 8 ALA N N 8 123.300 121.876 1.424 1 1 53 . 1 1 1 A 9 9 ILE H H 9 8.070 8.039 0.031 1 1 54 . 1 1 1 A 9 9 ILE HA H 9 3.760 3.899 -0.139 1 1 64 . 1 1 1 A 9 9 ILE CA C 9 63.800 65.141 -1.341 1 1 65 . 1 1 1 A 9 9 ILE CB C 9 38.900 37.881 1.019 1 1 69 . 1 1 1 A 9 9 ILE N N 9 119.200 119.517 -0.317 1 1 70 . 1 1 1 A 10 10 PHE H H 10 8.020 8.735 -0.715 1 1 71 . 1 1 1 A 10 10 PHE HA H 10 4.720 4.177 0.543 1 1 79 . 1 1 1 A 10 10 PHE CA C 10 60.400 62.201 -1.801 1 1 80 . 1 1 1 A 10 10 PHE CB C 10 39.400 39.086 0.314 1 1 84 . 1 1 1 A 10 10 PHE N N 10 118.900 120.966 -2.066 1 1 85 . 1 1 1 A 11 11 SER H H 11 8.420 8.435 -0.015 1 1 86 . 1 1 1 A 11 11 SER HA H 11 3.890 4.103 -0.213 1 1 89 . 1 1 1 A 11 11 SER CA C 11 62.000 61.748 0.252 1 1 90 . 1 1 1 A 11 11 SER CB C 11 62.800 62.592 0.208 1 1 91 . 1 1 1 A 11 11 SER N N 11 112.700 113.907 -1.207 1 1 92 . 1 1 1 A 12 12 GLU H H 12 8.050 8.089 -0.039 1 1 93 . 1 1 1 A 12 12 GLU HA H 12 4.130 3.993 0.137 1 1 98 . 1 1 1 A 12 12 GLU CA C 12 59.400 59.636 -0.236 1 1 99 . 1 1 1 A 12 12 GLU CB C 12 29.100 29.058 0.042 1 1 101 . 1 1 1 A 12 12 GLU N N 12 123.000 121.628 1.372 1 1 102 . 1 1 1 A 13 13 ASN H H 13 8.390 8.409 -0.019 1 1 103 . 1 1 1 A 13 13 ASN HA H 13 4.470 4.448 0.022 1 1 108 . 1 1 1 A 13 13 ASN CA C 13 55.700 56.253 -0.553 1 1 109 . 1 1 1 A 13 13 ASN CB C 13 37.900 38.663 -0.763 1 1 110 . 1 1 1 A 13 13 ASN N N 13 119.100 118.829 0.271 1 1 112 . 1 1 1 A 14 14 LEU H H 14 9.170 8.066 1.104 1 1 113 . 1 1 1 A 14 14 LEU HA H 14 3.860 3.986 -0.126 1 1 123 . 1 1 1 A 14 14 LEU CA C 14 58.800 58.025 0.775 1 1 124 . 1 1 1 A 14 14 LEU CB C 14 41.100 41.038 0.062 1 1 128 . 1 1 1 A 14 14 LEU N N 14 122.200 121.023 1.177 1 1 129 . 1 1 1 A 15 15 ASN H H 15 8.700 8.953 -0.253 1 1 130 . 1 1 1 A 15 15 ASN HA H 15 4.520 4.445 0.075 1 1 135 . 1 1 1 A 15 15 ASN CA C 15 56.600 56.144 0.456 1 1 136 . 1 1 1 A 15 15 ASN CB C 15 37.900 37.785 0.115 1 1 137 . 1 1 1 A 15 15 ASN N N 15 115.400 117.188 -1.788 1 1 139 . 1 1 1 A 16 16 SER H H 16 7.860 7.689 0.171 1 1 140 . 1 1 1 A 16 16 SER HA H 16 4.250 4.011 0.239 1 1 143 . 1 1 1 A 16 16 SER CA C 16 61.400 62.239 -0.839 1 1 144 . 1 1 1 A 16 16 SER CB C 16 62.100 62.757 -0.657 1 1 145 . 1 1 1 A 16 16 SER N N 16 117.600 116.962 0.638 1 1 146 . 1 1 1 A 17 17 TYR H H 17 7.740 7.359 0.381 1 1 147 . 1 1 1 A 17 17 TYR HA H 17 3.900 4.188 -0.288 1 1 154 . 1 1 1 A 17 17 TYR CA C 17 63.500 61.164 2.336 1 1 155 . 1 1 1 A 17 17 TYR CB C 17 35.600 37.487 -1.887 1 1 158 . 1 1 1 A 17 17 TYR N N 17 120.700 119.430 1.270 1 1 159 . 1 1 1 A 18 18 ILE H H 18 8.660 8.200 0.460 1 1 160 . 1 1 1 A 18 18 ILE HA H 18 3.710 3.895 -0.185 1 1 170 . 1 1 1 A 18 18 ILE CA C 18 66.400 65.437 0.963 1 1 171 . 1 1 1 A 18 18 ILE CB C 18 38.300 38.799 -0.499 1 1 175 . 1 1 1 A 18 18 ILE N N 18 121.800 120.385 1.415 1 1 176 . 1 1 1 A 19 19 ALA H H 19 8.010 8.325 -0.315 1 1 177 . 1 1 1 A 19 19 ALA HA H 19 4.220 4.239 -0.019 1 1 181 . 1 1 1 A 19 19 ALA CA C 19 55.000 53.881 1.119 1 1 182 . 1 1 1 A 19 19 ALA CB C 19 17.800 18.380 -0.580 1 1 183 . 1 1 1 A 19 19 ALA N N 19 121.900 122.392 -0.492 1 1 184 . 1 1 1 A 20 20 LYS H H 20 7.650 7.719 -0.069 1 1 185 . 1 1 1 A 20 20 LYS HA H 20 4.200 4.333 -0.133 1 1 194 . 1 1 1 A 20 20 LYS CA C 20 57.900 56.905 0.995 1 1 195 . 1 1 1 A 20 20 LYS CB C 20 33.000 32.921 0.079 1 1 199 . 1 1 1 A 20 20 LYS N N 20 116.500 116.048 0.452 1 1 200 . 1 1 1 A 21 21 SER H H 21 8.000 7.694 0.306 1 1 201 . 1 1 1 A 21 21 SER HA H 21 4.460 4.731 -0.271 1 1 204 . 1 1 1 A 21 21 SER CA C 21 60.100 56.274 3.826 1 1 205 . 1 1 1 A 21 21 SER CB C 21 64.700 65.402 -0.702 1 1 206 . 1 1 1 A 21 21 SER N N 21 114.400 115.317 -0.917 1 1 207 . 1 1 1 A 22 22 GLU H H 22 7.970 8.917 -0.947 1 1 208 . 1 1 1 A 22 22 GLU HA H 22 4.140 4.567 -0.427 1 1 213 . 1 1 1 A 22 22 GLU CA C 22 57.900 56.162 1.738 1 1 214 . 1 1 1 A 22 22 GLU CB C 22 27.700 30.075 -2.375 1 1 216 . 1 1 1 A 22 22 GLU N N 22 116.000 122.652 -6.652 1 1 217 . 1 1 1 A 23 23 LYS H H 23 8.070 7.298 0.772 1 1 218 . 1 1 1 A 23 23 LYS HA H 23 4.730 4.331 0.399 1 1 227 . 1 1 1 A 23 23 LYS CA C 23 53.800 56.053 -2.253 1 1 228 . 1 1 1 A 23 23 LYS CB C 23 34.300 32.962 1.338 1 1 232 . 1 1 1 A 23 23 LYS N N 23 119.500 120.938 -1.438 1 1 233 . 1 1 1 A 24 24 THR H H 24 8.690 8.642 0.048 1 1 234 . 1 1 1 A 24 24 THR HA H 24 4.460 4.548 -0.088 1 1 239 . 1 1 1 A 24 24 THR CA C 24 60.200 60.970 -0.770 1 1 240 . 1 1 1 A 24 24 THR CB C 24 71.200 71.139 0.061 1 1 242 . 1 1 1 A 24 24 THR N N 24 109.900 115.367 -5.467 1 1 243 . 1 1 1 A 25 25 GLN H H 25 8.840 9.001 -0.161 1 1 244 . 1 1 1 A 25 25 GLN HA H 25 3.640 3.723 -0.083 1 1 251 . 1 1 1 A 25 25 GLN CA C 25 59.900 58.888 1.012 1 1 252 . 1 1 1 A 25 25 GLN CB C 25 28.300 28.395 -0.095 1 1 254 . 1 1 1 A 25 25 GLN N N 25 118.500 121.102 -2.602 1 1 256 . 1 1 1 A 26 26 LEU H H 26 7.690 8.309 -0.619 1 1 257 . 1 1 1 A 26 26 LEU HA H 26 3.790 3.940 -0.150 1 1 267 . 1 1 1 A 26 26 LEU CA C 26 57.900 57.410 0.490 1 1 268 . 1 1 1 A 26 26 LEU CB C 26 41.800 41.096 0.704 1 1 272 . 1 1 1 A 26 26 LEU N N 26 116.000 120.661 -4.661 1 1 273 . 1 1 1 A 27 27 GLU H H 27 7.540 7.897 -0.357 1 1 274 . 1 1 1 A 27 27 GLU HA H 27 3.880 3.952 -0.072 1 1 279 . 1 1 1 A 27 27 GLU CA C 27 58.800 59.373 -0.573 1 1 280 . 1 1 1 A 27 27 GLU CB C 27 29.500 29.636 -0.136 1 1 282 . 1 1 1 A 27 27 GLU N N 27 118.200 119.937 -1.737 1 1 283 . 1 1 1 A 28 28 ILE H H 28 7.710 7.781 -0.071 1 1 284 . 1 1 1 A 28 28 ILE HA H 28 2.970 3.517 -0.547 1 1 294 . 1 1 1 A 28 28 ILE CA C 28 65.100 64.904 0.196 1 1 295 . 1 1 1 A 28 28 ILE CB C 28 37.400 37.672 -0.272 1 1 299 . 1 1 1 A 28 28 ILE N N 28 121.400 120.082 1.318 1 1 300 . 1 1 1 A 29 29 ALA H H 29 7.690 7.933 -0.243 1 1 301 . 1 1 1 A 29 29 ALA HA H 29 3.230 3.791 -0.561 1 1 305 . 1 1 1 A 29 29 ALA CA C 29 55.300 55.331 -0.031 1 1 306 . 1 1 1 A 29 29 ALA CB C 29 16.300 17.839 -1.539 1 1 307 . 1 1 1 A 29 29 ALA N N 29 120.500 121.291 -0.791 1 1 308 . 1 1 1 A 30 30 LYS H H 30 7.580 7.852 -0.272 1 1 309 . 1 1 1 A 30 30 LYS HA H 30 4.050 3.948 0.102 1 1 318 . 1 1 1 A 30 30 LYS CA C 30 58.800 59.090 -0.290 1 1 319 . 1 1 1 A 30 30 LYS CB C 30 32.000 32.225 -0.225 1 1 323 . 1 1 1 A 30 30 LYS N N 30 114.800 117.801 -3.001 1 1 324 . 1 1 1 A 31 31 SER H H 31 7.680 7.518 0.162 1 1 325 . 1 1 1 A 31 31 SER HA H 31 4.220 4.040 0.180 1 1 328 . 1 1 1 A 31 31 SER CA C 31 62.300 62.739 -0.439 1 1 329 . 1 1 1 A 31 31 SER CB C 31 63.300 62.480 0.820 1 1 330 . 1 1 1 A 31 31 SER N N 31 115.800 116.146 -0.346 1 1 331 . 1 1 1 A 32 32 ILE H H 32 7.800 7.480 0.320 1 1 332 . 1 1 1 A 32 32 ILE HA H 32 4.400 3.873 0.527 1 1 342 . 1 1 1 A 32 32 ILE CA C 32 60.300 62.960 -2.660 1 1 343 . 1 1 1 A 32 32 ILE CB C 32 37.500 38.645 -1.145 1 1 347 . 1 1 1 A 32 32 ILE N N 32 113.800 117.246 -3.446 1 1 348 . 1 1 1 A 33 33 GLY H H 33 7.880 8.357 -0.477 1 1 349 . 1 1 1 A 33 33 GLY HA2 H 33 3.890 4.011 -0.121 1 1 350 . 1 1 1 A 33 33 GLY HA3 H 33 4.040 4.033 0.007 1 1 351 . 1 1 1 A 33 33 GLY CA C 33 46.800 45.470 1.330 1 1 352 . 1 1 1 A 33 33 GLY N N 33 110.500 108.436 2.064 1 1 353 . 1 1 1 A 34 34 VAL H H 34 7.910 7.785 0.125 1 1 354 . 1 1 1 A 34 34 VAL HA H 34 4.720 4.868 -0.148 1 1 362 . 1 1 1 A 34 34 VAL CA C 34 58.700 59.295 -0.595 1 1 363 . 1 1 1 A 34 34 VAL CB C 34 35.500 35.844 -0.344 1 1 366 . 1 1 1 A 34 34 VAL N N 34 113.500 115.538 -2.038 1 1 367 . 1 1 1 A 35 35 SER H H 35 8.650 8.690 -0.040 1 1 368 . 1 1 1 A 35 35 SER HA H 35 4.580 4.772 -0.192 1 1 371 . 1 1 1 A 35 35 SER CA C 35 55.900 56.652 -0.752 1 1 372 . 1 1 1 A 35 35 SER CB C 35 62.800 63.382 -0.582 1 1 373 . 1 1 1 A 35 35 SER N N 35 118.400 117.335 1.065 1 1 374 . 1 1 1 A 36 36 PRO HA H 36 3.950 4.175 -0.225 1 1 381 . 1 1 1 A 36 36 PRO CA C 36 65.100 65.422 -0.322 1 1 382 . 1 1 1 A 36 36 PRO CB C 36 31.500 31.847 -0.347 1 1 385 . 1 1 1 A 37 37 GLN H H 37 8.300 8.238 0.062 1 1 386 . 1 1 1 A 37 37 GLN HA H 37 4.030 4.024 0.006 1 1 393 . 1 1 1 A 37 37 GLN CA C 37 59.400 58.545 0.855 1 1 394 . 1 1 1 A 37 37 GLN CB C 37 27.400 28.226 -0.826 1 1 396 . 1 1 1 A 37 37 GLN N N 37 117.300 117.338 -0.038 1 1 398 . 1 1 1 A 38 38 THR H H 38 7.790 7.613 0.177 1 1 399 . 1 1 1 A 38 38 THR HA H 38 3.590 3.785 -0.195 1 1 404 . 1 1 1 A 38 38 THR CA C 38 66.000 66.119 -0.119 1 1 405 . 1 1 1 A 38 38 THR CB C 38 67.900 68.215 -0.315 1 1 407 . 1 1 1 A 38 38 THR N N 38 119.500 117.853 1.647 1 1 408 . 1 1 1 A 39 39 PHE H H 39 8.150 7.709 0.441 1 1 409 . 1 1 1 A 39 39 PHE HA H 39 2.690 3.376 -0.686 1 1 417 . 1 1 1 A 39 39 PHE CA C 39 60.700 60.792 -0.092 1 1 418 . 1 1 1 A 39 39 PHE CB C 39 39.500 38.990 0.510 1 1 422 . 1 1 1 A 39 39 PHE N N 39 123.200 121.580 1.620 1 1 423 . 1 1 1 A 40 40 ASN H H 40 8.270 8.287 -0.017 1 1 424 . 1 1 1 A 40 40 ASN HA H 40 4.410 4.490 -0.080 1 1 429 . 1 1 1 A 40 40 ASN CA C 40 56.800 56.518 0.282 1 1 430 . 1 1 1 A 40 40 ASN CB C 40 38.700 39.064 -0.364 1 1 431 . 1 1 1 A 40 40 ASN N N 40 115.400 116.933 -1.533 1 1 433 . 1 1 1 A 41 41 THR H H 41 7.520 7.476 0.044 1 1 434 . 1 1 1 A 41 41 THR HA H 41 4.010 4.111 -0.101 1 1 439 . 1 1 1 A 41 41 THR CA C 41 66.000 65.224 0.776 1 1 440 . 1 1 1 A 41 41 THR CB C 41 69.100 68.349 0.751 1 1 442 . 1 1 1 A 41 41 THR N N 41 109.700 113.523 -3.823 1 1 443 . 1 1 1 A 42 42 TRP H H 42 7.190 7.061 0.129 1 1 444 . 1 1 1 A 42 42 TRP HA H 42 5.420 4.540 0.880 1 1 453 . 1 1 1 A 42 42 TRP CA C 42 56.300 59.848 -3.548 1 1 454 . 1 1 1 A 42 42 TRP CB C 42 28.400 28.832 -0.432 1 1 460 . 1 1 1 A 42 42 TRP N N 42 124.000 121.287 2.713 1 1 462 . 1 1 1 A 43 43 CYS H H 43 7.610 8.023 -0.413 1 1 463 . 1 1 1 A 43 43 CYS HA H 43 4.090 4.538 -0.448 1 1 466 . 1 1 1 A 43 43 CYS CA C 43 62.600 62.266 0.334 1 1 467 . 1 1 1 A 43 43 CYS CB C 43 27.600 27.373 0.227 1 1 468 . 1 1 1 A 43 43 CYS N N 43 117.200 119.523 -2.323 1 1 469 . 1 1 1 A 44 44 LYS H H 44 7.870 7.550 0.320 1 1 470 . 1 1 1 A 44 44 LYS HA H 44 4.410 4.388 0.022 1 1 479 . 1 1 1 A 44 44 LYS CA C 44 55.500 55.930 -0.430 1 1 480 . 1 1 1 A 44 44 LYS CB C 44 33.100 32.958 0.142 1 1 484 . 1 1 1 A 44 44 LYS N N 44 115.700 118.302 -2.602 1 1 485 . 1 1 1 A 45 45 GLY H H 45 7.800 8.073 -0.273 1 1 486 . 1 1 1 A 45 45 GLY HA2 H 45 3.980 3.967 0.013 1 1 487 . 1 1 1 A 45 45 GLY HA3 H 45 4.200 4.016 0.184 1 1 488 . 1 1 1 A 45 45 GLY CA C 45 46.100 46.803 -0.703 1 1 489 . 1 1 1 A 45 45 GLY N N 45 107.200 107.740 -0.540 1 1 490 . 1 1 1 A 46 46 ILE H H 46 7.890 8.550 -0.660 1 1 491 . 1 1 1 A 46 46 ILE HA H 46 4.110 4.106 0.004 1 1 501 . 1 1 1 A 46 46 ILE CA C 46 61.600 62.566 -0.966 1 1 502 . 1 1 1 A 46 46 ILE CB C 46 39.100 38.290 0.810 1 1 506 . 1 1 1 A 46 46 ILE N N 46 115.700 117.457 -1.757 1 1 507 . 1 1 1 A 47 47 ALA H H 47 7.540 7.291 0.249 1 1 508 . 1 1 1 A 47 47 ALA HA H 47 4.590 4.797 -0.207 1 1 512 . 1 1 1 A 47 47 ALA CA C 47 50.700 51.313 -0.613 1 1 513 . 1 1 1 A 47 47 ALA CB C 47 22.600 23.066 -0.466 1 1 514 . 1 1 1 A 47 47 ALA N N 47 121.600 119.539 2.061 1 1 515 . 1 1 1 A 48 48 ILE H H 48 8.260 8.687 -0.427 1 1 516 . 1 1 1 A 48 48 ILE HA H 48 4.080 4.227 -0.147 1 1 526 . 1 1 1 A 48 48 ILE CA C 48 56.600 56.953 -0.353 1 1 527 . 1 1 1 A 48 48 ILE CB C 48 40.800 39.133 1.667 1 1 531 . 1 1 1 A 48 48 ILE N N 48 118.900 119.999 -1.099 1 1 532 . 1 1 1 A 49 49 PRO HA H 49 4.230 4.524 -0.294 1 1 539 . 1 1 1 A 49 49 PRO CA C 49 61.300 62.078 -0.778 1 1 540 . 1 1 1 A 49 49 PRO CB C 49 31.900 31.762 0.138 1 1 543 . 1 1 1 A 50 50 ARG H H 50 8.130 8.678 -0.548 1 1 544 . 1 1 1 A 50 50 ARG HA H 50 4.170 4.363 -0.193 1 1 551 . 1 1 1 A 50 50 ARG CA C 50 55.600 55.430 0.170 1 1 552 . 1 1 1 A 50 50 ARG CB C 50 30.500 31.245 -0.745 1 1 555 . 1 1 1 A 50 50 ARG N N 50 115.900 120.780 -4.880 1 1 556 . 1 1 1 A 51 51 MET H H 51 8.680 8.714 -0.034 1 1 557 . 1 1 1 A 51 51 MET HA H 51 4.120 4.130 -0.010 1 1 565 . 1 1 1 A 51 51 MET CA C 51 57.700 58.571 -0.871 1 1 566 . 1 1 1 A 51 51 MET CB C 51 31.200 32.388 -1.188 1 1 569 . 1 1 1 A 51 51 MET N N 51 120.000 122.942 -2.942 1 1 570 . 1 1 1 A 52 52 GLY HA2 H 52 4.000 3.864 0.136 1 1 571 . 1 1 1 A 52 52 GLY HA3 H 52 3.920 3.867 0.053 1 1 572 . 1 1 1 A 52 52 GLY CA C 52 46.800 46.914 -0.114 1 1 573 . 1 1 1 A 53 53 LYS H H 53 7.520 7.931 -0.411 1 1 574 . 1 1 1 A 53 53 LYS HA H 53 4.450 4.311 0.139 1 1 583 . 1 1 1 A 53 53 LYS CA C 53 56.200 58.808 -2.608 1 1 584 . 1 1 1 A 53 53 LYS CB C 53 32.200 32.980 -0.780 1 1 588 . 1 1 1 A 53 53 LYS N N 53 119.900 121.868 -1.968 1 1 589 . 1 1 1 A 54 54 VAL H H 54 7.650 8.028 -0.378 1 1 590 . 1 1 1 A 54 54 VAL HA H 54 3.420 3.489 -0.069 1 1 598 . 1 1 1 A 54 54 VAL CA C 54 67.600 66.561 1.039 1 1 599 . 1 1 1 A 54 54 VAL CB C 54 30.600 31.371 -0.771 1 1 602 . 1 1 1 A 54 54 VAL N N 54 121.300 120.352 0.948 1 1 603 . 1 1 1 A 55 55 GLN H H 55 8.460 8.197 0.263 1 1 604 . 1 1 1 A 55 55 GLN HA H 55 3.790 4.019 -0.229 1 1 611 . 1 1 1 A 55 55 GLN CA C 55 58.000 58.269 -0.269 1 1 612 . 1 1 1 A 55 55 GLN CB C 55 28.200 28.442 -0.242 1 1 614 . 1 1 1 A 55 55 GLN N N 55 118.100 120.483 -2.383 1 1 616 . 1 1 1 A 56 56 ALA H H 56 7.550 7.960 -0.410 1 1 617 . 1 1 1 A 56 56 ALA HA H 56 4.310 4.162 0.148 1 1 621 . 1 1 1 A 56 56 ALA CA C 56 55.100 55.111 -0.011 1 1 622 . 1 1 1 A 56 56 ALA CB C 56 18.100 18.044 0.056 1 1 623 . 1 1 1 A 56 56 ALA N N 56 120.300 122.456 -2.156 1 1 624 . 1 1 1 A 57 57 LEU H H 57 8.170 8.308 -0.138 1 1 625 . 1 1 1 A 57 57 LEU HA H 57 3.950 4.052 -0.102 1 1 635 . 1 1 1 A 57 57 LEU CA C 57 57.500 58.163 -0.663 1 1 636 . 1 1 1 A 57 57 LEU CB C 57 43.500 42.075 1.425 1 1 640 . 1 1 1 A 57 57 LEU N N 57 120.100 118.973 1.127 1 1 641 . 1 1 1 A 58 58 ALA H H 58 8.430 8.415 0.015 1 1 642 . 1 1 1 A 58 58 ALA HA H 58 3.820 4.063 -0.243 1 1 646 . 1 1 1 A 58 58 ALA CA C 58 54.600 55.333 -0.733 1 1 647 . 1 1 1 A 58 58 ALA CB C 58 16.400 17.725 -1.325 1 1 648 . 1 1 1 A 58 58 ALA N N 58 122.600 121.260 1.340 1 1 649 . 1 1 1 A 59 59 ASP H H 59 8.790 8.436 0.354 1 1 650 . 1 1 1 A 59 59 ASP HA H 59 4.440 4.411 0.029 1 1 653 . 1 1 1 A 59 59 ASP CA C 59 57.000 57.252 -0.252 1 1 654 . 1 1 1 A 59 59 ASP CB C 59 39.800 40.887 -1.087 1 1 655 . 1 1 1 A 59 59 ASP N N 59 117.900 119.379 -1.479 1 1 656 . 1 1 1 A 60 60 TYR H H 60 8.050 7.976 0.074 1 1 657 . 1 1 1 A 60 60 TYR HA H 60 3.820 4.217 -0.397 1 1 664 . 1 1 1 A 60 60 TYR CA C 60 62.000 61.357 0.643 1 1 665 . 1 1 1 A 60 60 TYR CB C 60 38.200 38.231 -0.031 1 1 668 . 1 1 1 A 60 60 TYR N N 60 122.300 120.320 1.980 1 1 669 . 1 1 1 A 61 61 PHE H H 61 7.860 7.613 0.247 1 1 670 . 1 1 1 A 61 61 PHE HA H 61 4.530 4.578 -0.048 1 1 678 . 1 1 1 A 61 61 PHE CA C 61 58.000 57.722 0.278 1 1 679 . 1 1 1 A 61 61 PHE CB C 61 39.800 39.033 0.767 1 1 683 . 1 1 1 A 61 61 PHE N N 61 114.100 114.924 -0.824 1 1 684 . 1 1 1 A 62 62 ASN H H 62 8.040 8.191 -0.151 1 1 685 . 1 1 1 A 62 62 ASN HA H 62 4.420 4.358 0.062 1 1 690 . 1 1 1 A 62 62 ASN CA C 62 54.200 53.925 0.275 1 1 691 . 1 1 1 A 62 62 ASN CB C 62 36.800 37.032 -0.232 1 1 692 . 1 1 1 A 62 62 ASN N N 62 118.100 118.024 0.076 1 1 694 . 1 1 1 A 63 63 ILE H H 63 8.360 7.842 0.518 1 1 695 . 1 1 1 A 63 63 ILE HA H 63 4.710 4.846 -0.136 1 1 705 . 1 1 1 A 63 63 ILE CA C 63 59.600 58.068 1.532 1 1 706 . 1 1 1 A 63 63 ILE CB C 63 39.700 41.993 -2.293 1 1 710 . 1 1 1 A 63 63 ILE N N 63 112.700 113.541 -0.841 1 1 711 . 1 1 1 A 64 64 ASN H H 64 8.860 8.776 0.084 1 1 712 . 1 1 1 A 64 64 ASN HA H 64 4.990 4.949 0.041 1 1 717 . 1 1 1 A 64 64 ASN CA C 64 52.100 52.426 -0.326 1 1 718 . 1 1 1 A 64 64 ASN CB C 64 40.600 39.564 1.036 1 1 719 . 1 1 1 A 64 64 ASN N N 64 117.400 119.804 -2.404 1 1 721 . 1 1 1 A 65 65 LYS H H 65 9.250 8.757 0.493 1 1 722 . 1 1 1 A 65 65 LYS HA H 65 3.720 4.062 -0.342 1 1 731 . 1 1 1 A 65 65 LYS CA C 65 60.900 58.884 2.016 1 1 732 . 1 1 1 A 65 65 LYS CB C 65 31.200 31.994 -0.794 1 1 736 . 1 1 1 A 65 65 LYS N N 65 123.200 122.966 0.234 1 1 737 . 1 1 1 A 66 66 SER H H 66 8.700 8.094 0.606 1 1 738 . 1 1 1 A 66 66 SER HA H 66 4.050 4.158 -0.108 1 1 741 . 1 1 1 A 66 66 SER CA C 66 61.200 61.971 -0.771 1 1 742 . 1 1 1 A 66 66 SER CB C 66 62.200 62.883 -0.683 1 1 743 . 1 1 1 A 66 66 SER N N 66 114.300 117.735 -3.435 1 1 744 . 1 1 1 A 67 67 ASP H H 67 7.510 8.333 -0.823 1 1 745 . 1 1 1 A 67 67 ASP HA H 67 4.500 4.527 -0.027 1 1 748 . 1 1 1 A 67 67 ASP CA C 67 56.700 56.968 -0.268 1 1 749 . 1 1 1 A 67 67 ASP CB C 67 41.000 40.224 0.776 1 1 750 . 1 1 1 A 67 67 ASP N N 67 119.800 122.175 -2.375 1 1 751 . 1 1 1 A 68 68 LEU H H 68 7.440 7.672 -0.232 1 1 752 . 1 1 1 A 68 68 LEU HA H 68 4.500 4.266 0.234 1 1 762 . 1 1 1 A 68 68 LEU CA C 68 55.700 56.095 -0.395 1 1 763 . 1 1 1 A 68 68 LEU CB C 68 43.500 42.308 1.192 1 1 767 . 1 1 1 A 68 68 LEU N N 68 113.800 117.685 -3.885 1 1 768 . 1 1 1 A 69 69 ILE H H 69 7.500 7.299 0.201 1 1 769 . 1 1 1 A 69 69 ILE HA H 69 4.390 4.229 0.161 1 1 779 . 1 1 1 A 69 69 ILE CA C 69 61.700 63.266 -1.566 1 1 780 . 1 1 1 A 69 69 ILE CB C 69 39.600 39.451 0.149 1 1 784 . 1 1 1 A 69 69 ILE N N 69 112.800 117.372 -4.572 1 1 785 . 1 1 1 A 70 70 GLU H H 70 7.680 7.823 -0.143 1 1 786 . 1 1 1 A 70 70 GLU HA H 70 4.500 4.539 -0.039 1 1 791 . 1 1 1 A 70 70 GLU CA C 70 55.200 55.454 -0.254 1 1 792 . 1 1 1 A 70 70 GLU CB C 70 30.800 30.114 0.686 1 1 794 . 1 1 1 A 70 70 GLU N N 70 118.300 119.508 -1.208 1 1 795 . 1 1 1 A 71 71 ASP H H 71 8.660 8.482 0.178 1 1 796 . 1 1 1 A 71 71 ASP HA H 71 4.640 4.668 -0.028 1 1 799 . 1 1 1 A 71 71 ASP CA C 71 53.400 54.132 -0.732 1 1 800 . 1 1 1 A 71 71 ASP CB C 71 40.800 42.364 -1.564 1 1 801 . 1 1 1 A 71 71 ASP N N 71 121.100 122.726 -1.626 1 1 802 . 1 1 1 A 72 72 LYS H H 72 8.980 8.969 0.011 1 1 803 . 1 1 1 A 72 72 LYS HA H 72 4.270 4.447 -0.177 1 1 812 . 1 1 1 A 72 72 LYS CA C 72 56.400 56.415 -0.015 1 1 813 . 1 1 1 A 72 72 LYS CB C 72 32.400 31.724 0.676 1 1 817 . 1 1 1 A 72 72 LYS N N 72 126.200 125.439 0.761 1 1 818 . 1 1 1 A 73 73 LYS H H 73 8.460 7.909 0.551 1 1 819 . 1 1 1 A 73 73 LYS HA H 73 4.180 4.469 -0.289 1 1 828 . 1 1 1 A 73 73 LYS CA C 73 56.500 55.666 0.834 1 1 829 . 1 1 1 A 73 73 LYS CB C 73 31.600 31.135 0.465 1 1 833 . 1 1 1 A 73 73 LYS N N 73 120.300 119.986 0.314 1 1 834 . 1 1 1 A 74 74 LEU H H 74 7.910 7.258 0.652 1 1 835 . 1 1 1 A 74 74 LEU HA H 74 4.260 4.525 -0.265 1 1 845 . 1 1 1 A 74 74 LEU CA C 74 55.000 54.483 0.517 1 1 846 . 1 1 1 A 74 74 LEU CB C 74 42.200 39.911 2.289 1 1 850 . 1 1 1 A 74 74 LEU N N 74 120.900 121.609 -0.709 1 1 851 . 1 1 1 A 75 75 ASN H H 75 8.320 8.922 -0.602 1 1 852 . 1 1 1 A 75 75 ASN HA H 75 4.710 5.385 -0.675 1 1 857 . 1 1 1 A 75 75 ASN CA C 75 53.000 51.839 1.161 1 1 858 . 1 1 1 A 75 75 ASN CB C 75 38.700 40.359 -1.659 1 1 859 . 1 1 1 A 75 75 ASN N N 75 119.300 122.880 -3.580 1 1 861 . 1 1 1 A 76 76 ILE H H 76 8.010 8.773 -0.763 1 1 862 . 1 1 1 A 76 76 ILE HA H 76 4.180 4.096 0.084 1 1 872 . 1 1 1 A 76 76 ILE CA C 76 61.000 62.347 -1.347 1 1 873 . 1 1 1 A 76 76 ILE CB C 76 38.700 38.241 0.459 1 1 877 . 1 1 1 A 76 76 ILE N N 76 120.200 126.574 -6.374 1 1 878 . 1 1 1 A 77 77 ASP H H 77 8.390 8.649 -0.259 1 1 879 . 1 1 1 A 77 77 ASP HA H 77 4.660 5.146 -0.486 1 1 882 . 1 1 1 A 77 77 ASP CA C 77 54.200 53.065 1.135 1 1 883 . 1 1 1 A 77 77 ASP CB C 77 41.100 44.160 -3.060 1 1 884 . 1 1 1 A 77 77 ASP N N 77 123.500 126.717 -3.217 1 1 885 . 1 1 1 A 78 78 THR H H 78 8.010 8.668 -0.658 1 1 886 . 1 1 1 A 78 78 THR HA H 78 4.310 4.181 0.129 1 1 891 . 1 1 1 A 78 78 THR CA C 78 61.600 63.074 -1.474 1 1 892 . 1 1 1 A 78 78 THR CB C 78 69.700 69.160 0.540 1 1 894 . 1 1 1 A 78 78 THR N N 78 114.200 120.667 -6.467 1 1 895 . 1 1 1 A 79 79 VAL H H 79 8.090 8.553 -0.463 1 1 896 . 1 1 1 A 79 79 VAL HA H 79 4.390 4.775 -0.385 1 1 904 . 1 1 1 A 79 79 VAL CA C 79 59.900 58.929 0.971 1 1 905 . 1 1 1 A 79 79 VAL CB C 79 32.400 33.232 -0.832 1 1 908 . 1 1 1 A 79 79 VAL N N 79 124.000 128.535 -4.535 1 1 909 . 1 1 1 A 80 80 PRO HA H 80 4.420 4.449 -0.029 1 1 916 . 1 1 1 A 80 80 PRO CA C 80 62.900 63.148 -0.248 1 1 917 . 1 1 1 A 80 80 PRO CB C 80 31.900 31.915 -0.015 1 1 920 . 1 1 1 A 81 81 ILE H H 81 8.210 8.694 -0.484 1 1 921 . 1 1 1 A 81 81 ILE HA H 81 4.110 4.720 -0.610 1 1 931 . 1 1 1 A 81 81 ILE CA C 81 61.200 59.198 2.002 1 1 932 . 1 1 1 A 81 81 ILE CB C 81 38.600 42.189 -3.589 1 1 936 . 1 1 1 A 81 81 ILE N N 81 121.300 123.775 -2.475 1 1 937 . 1 1 1 A 82 82 GLU H H 82 8.510 8.577 -0.067 1 1 938 . 1 1 1 A 82 82 GLU HA H 82 4.300 4.500 -0.200 1 1 943 . 1 1 1 A 82 82 GLU CA C 82 56.300 56.311 -0.011 1 1 944 . 1 1 1 A 82 82 GLU CB C 82 30.000 27.864 2.136 1 1 946 . 1 1 1 A 82 82 GLU N N 82 124.600 128.010 -3.410 1 1 947 . 1 1 1 A 83 83 SER H H 83 8.330 8.087 0.243 1 1 948 . 1 1 1 A 83 83 SER HA H 83 4.400 4.690 -0.290 1 1 951 . 1 1 1 A 83 83 SER CA C 83 58.500 57.338 1.162 1 1 952 . 1 1 1 A 83 83 SER CB C 83 63.600 65.739 -2.139 1 1 953 . 1 1 1 A 83 83 SER N N 83 116.900 113.598 3.302 1 1 954 . 1 1 1 A 84 84 GLY H H 84 8.400 8.772 -0.372 1 1 955 . 1 1 1 A 84 84 GLY HA2 H 84 3.900 3.929 -0.029 1 1 956 . 1 1 1 A 84 84 GLY HA3 H 84 3.900 3.938 -0.038 1 1 957 . 1 1 1 A 84 84 GLY CA C 84 45.300 46.971 -1.671 1 1 958 . 1 1 1 A 84 84 GLY N N 84 110.400 108.518 1.882 1 1 959 . 1 1 1 A 85 85 TYR H H 85 8.000 8.560 -0.560 1 1 960 . 1 1 1 A 85 85 TYR HA H 85 4.600 5.072 -0.472 1 1 967 . 1 1 1 A 85 85 TYR CA C 85 57.900 57.438 0.462 1 1 968 . 1 1 1 A 85 85 TYR CB C 85 38.700 40.782 -2.082 1 1 971 . 1 1 1 A 85 85 TYR N N 85 120.000 124.077 -4.077 1 1 972 . 1 1 1 A 86 86 THR H H 86 8.070 8.293 -0.223 1 1 973 . 1 1 1 A 86 86 THR HA H 86 4.280 4.612 -0.332 1 1 978 . 1 1 1 A 86 86 THR CA C 86 61.600 62.492 -0.892 1 1 979 . 1 1 1 A 86 86 THR CB C 86 69.700 69.444 0.256 1 1 1 . 2 1 1 A 4 4 ASP H H 4 8.270 8.610 -0.340 1 1 2 . 2 1 1 A 4 4 ASP HA H 4 4.550 5.059 -0.509 1 1 5 . 2 1 1 A 4 4 ASP CA C 4 54.700 52.925 1.775 1 1 6 . 2 1 1 A 4 4 ASP CB C 4 41.400 44.233 -2.833 1 1 7 . 2 1 1 A 4 4 ASP N N 4 121.200 122.523 -1.323 1 1 8 . 2 1 1 A 5 5 LYS HA H 5 4.160 3.921 0.239 1 1 13 . 2 1 1 A 5 5 LYS CA C 5 58.300 60.115 -1.815 1 1 14 . 2 1 1 A 5 5 LYS CB C 5 32.400 32.079 0.321 1 1 16 . 2 1 1 A 6 6 GLN H H 6 8.170 7.989 0.181 1 1 17 . 2 1 1 A 6 6 GLN HA H 6 4.090 3.913 0.177 1 1 24 . 2 1 1 A 6 6 GLN CA C 6 59.000 59.039 -0.039 1 1 25 . 2 1 1 A 6 6 GLN CB C 6 28.500 28.260 0.240 1 1 27 . 2 1 1 A 6 6 GLN N N 6 117.400 118.570 -1.170 1 1 29 . 2 1 1 A 7 7 LYS H H 7 7.970 7.945 0.025 1 1 30 . 2 1 1 A 7 7 LYS HA H 7 4.030 4.088 -0.058 1 1 39 . 2 1 1 A 7 7 LYS CA C 7 59.500 59.320 0.180 1 1 40 . 2 1 1 A 7 7 LYS CB C 7 32.500 32.211 0.289 1 1 44 . 2 1 1 A 7 7 LYS N N 7 119.400 119.497 -0.097 1 1 45 . 2 1 1 A 8 8 ALA H H 8 7.980 7.865 0.115 1 1 46 . 2 1 1 A 8 8 ALA HA H 8 4.110 4.141 -0.031 1 1 50 . 2 1 1 A 8 8 ALA CA C 8 55.000 55.003 -0.003 1 1 51 . 2 1 1 A 8 8 ALA CB C 8 18.100 18.482 -0.382 1 1 52 . 2 1 1 A 8 8 ALA N N 8 123.300 121.730 1.570 1 1 53 . 2 1 1 A 9 9 ILE H H 9 8.070 8.289 -0.219 1 1 54 . 2 1 1 A 9 9 ILE HA H 9 3.760 3.647 0.113 1 1 64 . 2 1 1 A 9 9 ILE CA C 9 63.800 64.969 -1.169 1 1 65 . 2 1 1 A 9 9 ILE CB C 9 38.900 37.481 1.419 1 1 69 . 2 1 1 A 9 9 ILE N N 9 119.200 118.988 0.212 1 1 70 . 2 1 1 A 10 10 PHE H H 10 8.020 8.459 -0.439 1 1 71 . 2 1 1 A 10 10 PHE HA H 10 4.720 4.120 0.600 1 1 79 . 2 1 1 A 10 10 PHE CA C 10 60.400 61.978 -1.578 1 1 80 . 2 1 1 A 10 10 PHE CB C 10 39.400 39.098 0.302 1 1 84 . 2 1 1 A 10 10 PHE N N 10 118.900 121.205 -2.305 1 1 85 . 2 1 1 A 11 11 SER H H 11 8.420 8.431 -0.011 1 1 86 . 2 1 1 A 11 11 SER HA H 11 3.890 4.006 -0.116 1 1 89 . 2 1 1 A 11 11 SER CA C 11 62.000 61.674 0.326 1 1 90 . 2 1 1 A 11 11 SER CB C 11 62.800 62.482 0.318 1 1 91 . 2 1 1 A 11 11 SER N N 11 112.700 113.813 -1.113 1 1 92 . 2 1 1 A 12 12 GLU H H 12 8.050 8.073 -0.023 1 1 93 . 2 1 1 A 12 12 GLU HA H 12 4.130 3.959 0.171 1 1 98 . 2 1 1 A 12 12 GLU CA C 12 59.400 59.372 0.028 1 1 99 . 2 1 1 A 12 12 GLU CB C 12 29.100 29.144 -0.044 1 1 101 . 2 1 1 A 12 12 GLU N N 12 123.000 122.357 0.643 1 1 102 . 2 1 1 A 13 13 ASN H H 13 8.390 7.907 0.483 1 1 103 . 2 1 1 A 13 13 ASN HA H 13 4.470 4.104 0.366 1 1 108 . 2 1 1 A 13 13 ASN CA C 13 55.700 55.776 -0.076 1 1 109 . 2 1 1 A 13 13 ASN CB C 13 37.900 38.246 -0.346 1 1 110 . 2 1 1 A 13 13 ASN N N 13 119.100 118.278 0.822 1 1 112 . 2 1 1 A 14 14 LEU H H 14 9.170 7.798 1.372 1 1 113 . 2 1 1 A 14 14 LEU HA H 14 3.860 3.952 -0.092 1 1 123 . 2 1 1 A 14 14 LEU CA C 14 58.800 58.093 0.707 1 1 124 . 2 1 1 A 14 14 LEU CB C 14 41.100 40.792 0.308 1 1 128 . 2 1 1 A 14 14 LEU N N 14 122.200 120.955 1.245 1 1 129 . 2 1 1 A 15 15 ASN H H 15 8.700 8.629 0.071 1 1 130 . 2 1 1 A 15 15 ASN HA H 15 4.520 4.390 0.130 1 1 135 . 2 1 1 A 15 15 ASN CA C 15 56.600 56.809 -0.209 1 1 136 . 2 1 1 A 15 15 ASN CB C 15 37.900 38.823 -0.923 1 1 137 . 2 1 1 A 15 15 ASN N N 15 115.400 117.701 -2.301 1 1 139 . 2 1 1 A 16 16 SER H H 16 7.860 7.744 0.116 1 1 140 . 2 1 1 A 16 16 SER HA H 16 4.250 4.128 0.122 1 1 143 . 2 1 1 A 16 16 SER CA C 16 61.400 61.152 0.248 1 1 144 . 2 1 1 A 16 16 SER CB C 16 62.100 62.205 -0.105 1 1 145 . 2 1 1 A 16 16 SER N N 16 117.600 115.459 2.141 1 1 146 . 2 1 1 A 17 17 TYR H H 17 7.740 7.148 0.592 1 1 147 . 2 1 1 A 17 17 TYR HA H 17 3.900 4.282 -0.382 1 1 154 . 2 1 1 A 17 17 TYR CA C 17 63.500 61.145 2.355 1 1 155 . 2 1 1 A 17 17 TYR CB C 17 35.600 37.884 -2.284 1 1 158 . 2 1 1 A 17 17 TYR N N 17 120.700 119.266 1.434 1 1 159 . 2 1 1 A 18 18 ILE H H 18 8.660 8.062 0.598 1 1 160 . 2 1 1 A 18 18 ILE HA H 18 3.710 3.810 -0.100 1 1 170 . 2 1 1 A 18 18 ILE CA C 18 66.400 65.406 0.994 1 1 171 . 2 1 1 A 18 18 ILE CB C 18 38.300 38.818 -0.518 1 1 175 . 2 1 1 A 18 18 ILE N N 18 121.800 120.167 1.633 1 1 176 . 2 1 1 A 19 19 ALA H H 19 8.010 8.570 -0.560 1 1 177 . 2 1 1 A 19 19 ALA HA H 19 4.220 4.216 0.004 1 1 181 . 2 1 1 A 19 19 ALA CA C 19 55.000 54.232 0.768 1 1 182 . 2 1 1 A 19 19 ALA CB C 19 17.800 18.418 -0.618 1 1 183 . 2 1 1 A 19 19 ALA N N 19 121.900 122.377 -0.477 1 1 184 . 2 1 1 A 20 20 LYS H H 20 7.650 7.891 -0.241 1 1 185 . 2 1 1 A 20 20 LYS HA H 20 4.200 4.022 0.178 1 1 194 . 2 1 1 A 20 20 LYS CA C 20 57.900 59.047 -1.147 1 1 195 . 2 1 1 A 20 20 LYS CB C 20 33.000 32.493 0.507 1 1 199 . 2 1 1 A 20 20 LYS N N 20 116.500 119.076 -2.576 1 1 200 . 2 1 1 A 21 21 SER H H 21 8.000 7.468 0.532 1 1 201 . 2 1 1 A 21 21 SER HA H 21 4.460 4.532 -0.072 1 1 204 . 2 1 1 A 21 21 SER CA C 21 60.100 57.286 2.814 1 1 205 . 2 1 1 A 21 21 SER CB C 21 64.700 64.662 0.038 1 1 206 . 2 1 1 A 21 21 SER N N 21 114.400 115.198 -0.798 1 1 207 . 2 1 1 A 22 22 GLU H H 22 7.970 8.666 -0.696 1 1 208 . 2 1 1 A 22 22 GLU HA H 22 4.140 4.491 -0.351 1 1 213 . 2 1 1 A 22 22 GLU CA C 22 57.900 55.850 2.050 1 1 214 . 2 1 1 A 22 22 GLU CB C 22 27.700 29.384 -1.684 1 1 216 . 2 1 1 A 22 22 GLU N N 22 116.000 123.240 -7.240 1 1 217 . 2 1 1 A 23 23 LYS H H 23 8.070 7.518 0.552 1 1 218 . 2 1 1 A 23 23 LYS HA H 23 4.730 4.384 0.346 1 1 227 . 2 1 1 A 23 23 LYS CA C 23 53.800 55.730 -1.930 1 1 228 . 2 1 1 A 23 23 LYS CB C 23 34.300 33.587 0.713 1 1 232 . 2 1 1 A 23 23 LYS N N 23 119.500 121.369 -1.869 1 1 233 . 2 1 1 A 24 24 THR H H 24 8.690 8.706 -0.016 1 1 234 . 2 1 1 A 24 24 THR HA H 24 4.460 4.838 -0.378 1 1 239 . 2 1 1 A 24 24 THR CA C 24 60.200 60.189 0.011 1 1 240 . 2 1 1 A 24 24 THR CB C 24 71.200 71.441 -0.241 1 1 242 . 2 1 1 A 24 24 THR N N 24 109.900 113.234 -3.334 1 1 243 . 2 1 1 A 25 25 GLN H H 25 8.840 9.001 -0.161 1 1 244 . 2 1 1 A 25 25 GLN HA H 25 3.640 3.696 -0.056 1 1 251 . 2 1 1 A 25 25 GLN CA C 25 59.900 58.921 0.979 1 1 252 . 2 1 1 A 25 25 GLN CB C 25 28.300 28.287 0.013 1 1 254 . 2 1 1 A 25 25 GLN N N 25 118.500 121.383 -2.883 1 1 256 . 2 1 1 A 26 26 LEU H H 26 7.690 8.175 -0.485 1 1 257 . 2 1 1 A 26 26 LEU HA H 26 3.790 3.855 -0.065 1 1 267 . 2 1 1 A 26 26 LEU CA C 26 57.900 57.716 0.184 1 1 268 . 2 1 1 A 26 26 LEU CB C 26 41.800 41.409 0.391 1 1 272 . 2 1 1 A 26 26 LEU N N 26 116.000 120.408 -4.408 1 1 273 . 2 1 1 A 27 27 GLU H H 27 7.540 7.792 -0.252 1 1 274 . 2 1 1 A 27 27 GLU HA H 27 3.880 3.946 -0.066 1 1 279 . 2 1 1 A 27 27 GLU CA C 27 58.800 59.209 -0.409 1 1 280 . 2 1 1 A 27 27 GLU CB C 27 29.500 29.406 0.094 1 1 282 . 2 1 1 A 27 27 GLU N N 27 118.200 118.567 -0.367 1 1 283 . 2 1 1 A 28 28 ILE H H 28 7.710 7.603 0.107 1 1 284 . 2 1 1 A 28 28 ILE HA H 28 2.970 3.399 -0.429 1 1 294 . 2 1 1 A 28 28 ILE CA C 28 65.100 64.734 0.366 1 1 295 . 2 1 1 A 28 28 ILE CB C 28 37.400 37.775 -0.375 1 1 299 . 2 1 1 A 28 28 ILE N N 28 121.400 119.741 1.659 1 1 300 . 2 1 1 A 29 29 ALA H H 29 7.690 8.290 -0.600 1 1 301 . 2 1 1 A 29 29 ALA HA H 29 3.230 3.937 -0.707 1 1 305 . 2 1 1 A 29 29 ALA CA C 29 55.300 55.522 -0.222 1 1 306 . 2 1 1 A 29 29 ALA CB C 29 16.300 18.765 -2.465 1 1 307 . 2 1 1 A 29 29 ALA N N 29 120.500 121.567 -1.067 1 1 308 . 2 1 1 A 30 30 LYS H H 30 7.580 7.980 -0.400 1 1 309 . 2 1 1 A 30 30 LYS HA H 30 4.050 4.001 0.049 1 1 318 . 2 1 1 A 30 30 LYS CA C 30 58.800 59.171 -0.371 1 1 319 . 2 1 1 A 30 30 LYS CB C 30 32.000 32.142 -0.142 1 1 323 . 2 1 1 A 30 30 LYS N N 30 114.800 117.448 -2.648 1 1 324 . 2 1 1 A 31 31 SER H H 31 7.680 7.639 0.041 1 1 325 . 2 1 1 A 31 31 SER HA H 31 4.220 4.159 0.061 1 1 328 . 2 1 1 A 31 31 SER CA C 31 62.300 62.160 0.140 1 1 329 . 2 1 1 A 31 31 SER CB C 31 63.300 62.703 0.597 1 1 330 . 2 1 1 A 31 31 SER N N 31 115.800 116.226 -0.426 1 1 331 . 2 1 1 A 32 32 ILE H H 32 7.800 7.204 0.596 1 1 332 . 2 1 1 A 32 32 ILE HA H 32 4.400 3.998 0.402 1 1 342 . 2 1 1 A 32 32 ILE CA C 32 60.300 62.847 -2.547 1 1 343 . 2 1 1 A 32 32 ILE CB C 32 37.500 38.588 -1.088 1 1 347 . 2 1 1 A 32 32 ILE N N 32 113.800 117.116 -3.316 1 1 348 . 2 1 1 A 33 33 GLY H H 33 7.880 8.252 -0.372 1 1 349 . 2 1 1 A 33 33 GLY HA2 H 33 3.890 4.043 -0.153 1 1 350 . 2 1 1 A 33 33 GLY HA3 H 33 4.040 4.064 -0.024 1 1 351 . 2 1 1 A 33 33 GLY CA C 33 46.800 45.013 1.787 1 1 352 . 2 1 1 A 33 33 GLY N N 33 110.500 108.622 1.878 1 1 353 . 2 1 1 A 34 34 VAL H H 34 7.910 7.779 0.131 1 1 354 . 2 1 1 A 34 34 VAL HA H 34 4.720 4.259 0.461 1 1 362 . 2 1 1 A 34 34 VAL CA C 34 58.700 61.154 -2.454 1 1 363 . 2 1 1 A 34 34 VAL CB C 34 35.500 32.994 2.506 1 1 366 . 2 1 1 A 34 34 VAL N N 34 113.500 119.612 -6.112 1 1 367 . 2 1 1 A 35 35 SER H H 35 8.650 8.828 -0.178 1 1 368 . 2 1 1 A 35 35 SER HA H 35 4.580 4.746 -0.166 1 1 371 . 2 1 1 A 35 35 SER CA C 35 55.900 56.737 -0.837 1 1 372 . 2 1 1 A 35 35 SER CB C 35 62.800 63.103 -0.303 1 1 373 . 2 1 1 A 35 35 SER N N 35 118.400 118.588 -0.188 1 1 374 . 2 1 1 A 36 36 PRO HA H 36 3.950 4.205 -0.255 1 1 381 . 2 1 1 A 36 36 PRO CA C 36 65.100 65.345 -0.245 1 1 382 . 2 1 1 A 36 36 PRO CB C 36 31.500 31.813 -0.313 1 1 385 . 2 1 1 A 37 37 GLN H H 37 8.300 8.162 0.138 1 1 386 . 2 1 1 A 37 37 GLN HA H 37 4.030 4.020 0.010 1 1 393 . 2 1 1 A 37 37 GLN CA C 37 59.400 58.936 0.464 1 1 394 . 2 1 1 A 37 37 GLN CB C 37 27.400 28.233 -0.833 1 1 396 . 2 1 1 A 37 37 GLN N N 37 117.300 117.804 -0.504 1 1 398 . 2 1 1 A 38 38 THR H H 38 7.790 7.702 0.088 1 1 399 . 2 1 1 A 38 38 THR HA H 38 3.590 3.754 -0.164 1 1 404 . 2 1 1 A 38 38 THR CA C 38 66.000 66.187 -0.187 1 1 405 . 2 1 1 A 38 38 THR CB C 38 67.900 68.136 -0.236 1 1 407 . 2 1 1 A 38 38 THR N N 38 119.500 117.543 1.957 1 1 408 . 2 1 1 A 39 39 PHE H H 39 8.150 8.228 -0.078 1 1 409 . 2 1 1 A 39 39 PHE HA H 39 2.690 3.490 -0.800 1 1 417 . 2 1 1 A 39 39 PHE CA C 39 60.700 61.377 -0.677 1 1 418 . 2 1 1 A 39 39 PHE CB C 39 39.500 38.929 0.571 1 1 422 . 2 1 1 A 39 39 PHE N N 39 123.200 123.387 -0.187 1 1 423 . 2 1 1 A 40 40 ASN H H 40 8.270 8.460 -0.190 1 1 424 . 2 1 1 A 40 40 ASN HA H 40 4.410 4.504 -0.094 1 1 429 . 2 1 1 A 40 40 ASN CA C 40 56.800 56.608 0.192 1 1 430 . 2 1 1 A 40 40 ASN CB C 40 38.700 38.887 -0.187 1 1 431 . 2 1 1 A 40 40 ASN N N 40 115.400 116.909 -1.509 1 1 433 . 2 1 1 A 41 41 THR H H 41 7.520 7.463 0.057 1 1 434 . 2 1 1 A 41 41 THR HA H 41 4.010 4.150 -0.140 1 1 439 . 2 1 1 A 41 41 THR CA C 41 66.000 65.005 0.995 1 1 440 . 2 1 1 A 41 41 THR CB C 41 69.100 68.512 0.588 1 1 442 . 2 1 1 A 41 41 THR N N 41 109.700 113.496 -3.796 1 1 443 . 2 1 1 A 42 42 TRP H H 42 7.190 6.767 0.423 1 1 444 . 2 1 1 A 42 42 TRP HA H 42 5.420 4.604 0.816 1 1 453 . 2 1 1 A 42 42 TRP CA C 42 56.300 59.405 -3.105 1 1 454 . 2 1 1 A 42 42 TRP CB C 42 28.400 29.798 -1.398 1 1 460 . 2 1 1 A 42 42 TRP N N 42 124.000 121.226 2.774 1 1 462 . 2 1 1 A 43 43 CYS H H 43 7.610 8.203 -0.593 1 1 463 . 2 1 1 A 43 43 CYS HA H 43 4.090 4.210 -0.120 1 1 466 . 2 1 1 A 43 43 CYS CA C 43 62.600 62.607 -0.007 1 1 467 . 2 1 1 A 43 43 CYS CB C 43 27.600 27.167 0.433 1 1 468 . 2 1 1 A 43 43 CYS N N 43 117.200 119.515 -2.315 1 1 469 . 2 1 1 A 44 44 LYS H H 44 7.870 7.996 -0.126 1 1 470 . 2 1 1 A 44 44 LYS HA H 44 4.410 4.369 0.041 1 1 479 . 2 1 1 A 44 44 LYS CA C 44 55.500 55.897 -0.397 1 1 480 . 2 1 1 A 44 44 LYS CB C 44 33.100 32.780 0.320 1 1 484 . 2 1 1 A 44 44 LYS N N 44 115.700 117.630 -1.930 1 1 485 . 2 1 1 A 45 45 GLY H H 45 7.800 7.892 -0.092 1 1 486 . 2 1 1 A 45 45 GLY HA2 H 45 3.980 3.960 0.020 1 1 487 . 2 1 1 A 45 45 GLY HA3 H 45 4.200 4.028 0.172 1 1 488 . 2 1 1 A 45 45 GLY CA C 45 46.100 46.848 -0.748 1 1 489 . 2 1 1 A 45 45 GLY N N 45 107.200 107.790 -0.590 1 1 490 . 2 1 1 A 46 46 ILE H H 46 7.890 8.802 -0.912 1 1 491 . 2 1 1 A 46 46 ILE HA H 46 4.110 4.223 -0.113 1 1 501 . 2 1 1 A 46 46 ILE CA C 46 61.600 62.295 -0.695 1 1 502 . 2 1 1 A 46 46 ILE CB C 46 39.100 39.566 -0.466 1 1 506 . 2 1 1 A 46 46 ILE N N 46 115.700 116.826 -1.126 1 1 507 . 2 1 1 A 47 47 ALA H H 47 7.540 7.842 -0.302 1 1 508 . 2 1 1 A 47 47 ALA HA H 47 4.590 4.869 -0.279 1 1 512 . 2 1 1 A 47 47 ALA CA C 47 50.700 50.799 -0.099 1 1 513 . 2 1 1 A 47 47 ALA CB C 47 22.600 23.381 -0.781 1 1 514 . 2 1 1 A 47 47 ALA N N 47 121.600 119.872 1.728 1 1 515 . 2 1 1 A 48 48 ILE H H 48 8.260 8.969 -0.709 1 1 516 . 2 1 1 A 48 48 ILE HA H 48 4.080 4.298 -0.218 1 1 526 . 2 1 1 A 48 48 ILE CA C 48 56.600 56.868 -0.268 1 1 527 . 2 1 1 A 48 48 ILE CB C 48 40.800 41.190 -0.390 1 1 531 . 2 1 1 A 48 48 ILE N N 48 118.900 120.656 -1.756 1 1 532 . 2 1 1 A 49 49 PRO HA H 49 4.230 4.509 -0.279 1 1 539 . 2 1 1 A 49 49 PRO CA C 49 61.300 62.082 -0.782 1 1 540 . 2 1 1 A 49 49 PRO CB C 49 31.900 31.949 -0.049 1 1 543 . 2 1 1 A 50 50 ARG H H 50 8.130 8.704 -0.574 1 1 544 . 2 1 1 A 50 50 ARG HA H 50 4.170 4.587 -0.417 1 1 551 . 2 1 1 A 50 50 ARG CA C 50 55.600 54.701 0.899 1 1 552 . 2 1 1 A 50 50 ARG CB C 50 30.500 31.886 -1.386 1 1 555 . 2 1 1 A 50 50 ARG N N 50 115.900 121.307 -5.407 1 1 556 . 2 1 1 A 51 51 MET H H 51 8.680 8.702 -0.022 1 1 557 . 2 1 1 A 51 51 MET HA H 51 4.120 4.135 -0.015 1 1 565 . 2 1 1 A 51 51 MET CA C 51 57.700 58.674 -0.974 1 1 566 . 2 1 1 A 51 51 MET CB C 51 31.200 32.160 -0.960 1 1 569 . 2 1 1 A 51 51 MET N N 51 120.000 120.376 -0.376 1 1 570 . 2 1 1 A 52 52 GLY HA2 H 52 4.000 3.919 0.081 1 1 571 . 2 1 1 A 52 52 GLY HA3 H 52 3.920 3.921 -0.001 1 1 572 . 2 1 1 A 52 52 GLY CA C 52 46.800 47.052 -0.252 1 1 573 . 2 1 1 A 53 53 LYS H H 53 7.520 7.883 -0.363 1 1 574 . 2 1 1 A 53 53 LYS HA H 53 4.450 4.427 0.023 1 1 583 . 2 1 1 A 53 53 LYS CA C 53 56.200 57.701 -1.501 1 1 584 . 2 1 1 A 53 53 LYS CB C 53 32.200 32.875 -0.675 1 1 588 . 2 1 1 A 53 53 LYS N N 53 119.900 121.158 -1.258 1 1 589 . 2 1 1 A 54 54 VAL H H 54 7.650 8.217 -0.567 1 1 590 . 2 1 1 A 54 54 VAL HA H 54 3.420 3.474 -0.054 1 1 598 . 2 1 1 A 54 54 VAL CA C 54 67.600 66.746 0.854 1 1 599 . 2 1 1 A 54 54 VAL CB C 54 30.600 31.214 -0.614 1 1 602 . 2 1 1 A 54 54 VAL N N 54 121.300 120.430 0.870 1 1 603 . 2 1 1 A 55 55 GLN H H 55 8.460 8.408 0.052 1 1 604 . 2 1 1 A 55 55 GLN HA H 55 3.790 4.046 -0.256 1 1 611 . 2 1 1 A 55 55 GLN CA C 55 58.000 59.372 -1.372 1 1 612 . 2 1 1 A 55 55 GLN CB C 55 28.200 28.131 0.069 1 1 614 . 2 1 1 A 55 55 GLN N N 55 118.100 118.625 -0.525 1 1 616 . 2 1 1 A 56 56 ALA H H 56 7.550 7.864 -0.314 1 1 617 . 2 1 1 A 56 56 ALA HA H 56 4.310 4.030 0.280 1 1 621 . 2 1 1 A 56 56 ALA CA C 56 55.100 55.032 0.068 1 1 622 . 2 1 1 A 56 56 ALA CB C 56 18.100 17.981 0.119 1 1 623 . 2 1 1 A 56 56 ALA N N 56 120.300 123.255 -2.955 1 1 624 . 2 1 1 A 57 57 LEU H H 57 8.170 8.122 0.048 1 1 625 . 2 1 1 A 57 57 LEU HA H 57 3.950 4.090 -0.140 1 1 635 . 2 1 1 A 57 57 LEU CA C 57 57.500 58.154 -0.654 1 1 636 . 2 1 1 A 57 57 LEU CB C 57 43.500 41.812 1.688 1 1 640 . 2 1 1 A 57 57 LEU N N 57 120.100 118.991 1.109 1 1 641 . 2 1 1 A 58 58 ALA H H 58 8.430 8.675 -0.245 1 1 642 . 2 1 1 A 58 58 ALA HA H 58 3.820 4.175 -0.355 1 1 646 . 2 1 1 A 58 58 ALA CA C 58 54.600 55.031 -0.431 1 1 647 . 2 1 1 A 58 58 ALA CB C 58 16.400 18.007 -1.607 1 1 648 . 2 1 1 A 58 58 ALA N N 58 122.600 122.076 0.524 1 1 649 . 2 1 1 A 59 59 ASP H H 59 8.790 7.839 0.951 1 1 650 . 2 1 1 A 59 59 ASP HA H 59 4.440 4.425 0.015 1 1 653 . 2 1 1 A 59 59 ASP CA C 59 57.000 57.138 -0.138 1 1 654 . 2 1 1 A 59 59 ASP CB C 59 39.800 40.798 -0.998 1 1 655 . 2 1 1 A 59 59 ASP N N 59 117.900 119.509 -1.609 1 1 656 . 2 1 1 A 60 60 TYR H H 60 8.050 7.942 0.108 1 1 657 . 2 1 1 A 60 60 TYR HA H 60 3.820 4.158 -0.338 1 1 664 . 2 1 1 A 60 60 TYR CA C 60 62.000 61.363 0.637 1 1 665 . 2 1 1 A 60 60 TYR CB C 60 38.200 38.448 -0.248 1 1 668 . 2 1 1 A 60 60 TYR N N 60 122.300 120.701 1.599 1 1 669 . 2 1 1 A 61 61 PHE H H 61 7.860 7.671 0.189 1 1 670 . 2 1 1 A 61 61 PHE HA H 61 4.530 4.523 0.007 1 1 678 . 2 1 1 A 61 61 PHE CA C 61 58.000 57.474 0.526 1 1 679 . 2 1 1 A 61 61 PHE CB C 61 39.800 39.734 0.066 1 1 683 . 2 1 1 A 61 61 PHE N N 61 114.100 113.838 0.262 1 1 684 . 2 1 1 A 62 62 ASN H H 62 8.040 8.204 -0.164 1 1 685 . 2 1 1 A 62 62 ASN HA H 62 4.420 4.606 -0.186 1 1 690 . 2 1 1 A 62 62 ASN CA C 62 54.200 53.966 0.234 1 1 691 . 2 1 1 A 62 62 ASN CB C 62 36.800 37.032 -0.232 1 1 692 . 2 1 1 A 62 62 ASN N N 62 118.100 118.300 -0.200 1 1 694 . 2 1 1 A 63 63 ILE H H 63 8.360 8.014 0.346 1 1 695 . 2 1 1 A 63 63 ILE HA H 63 4.710 4.952 -0.242 1 1 705 . 2 1 1 A 63 63 ILE CA C 63 59.600 58.166 1.434 1 1 706 . 2 1 1 A 63 63 ILE CB C 63 39.700 42.146 -2.446 1 1 710 . 2 1 1 A 63 63 ILE N N 63 112.700 114.898 -2.198 1 1 711 . 2 1 1 A 64 64 ASN H H 64 8.860 8.904 -0.044 1 1 712 . 2 1 1 A 64 64 ASN HA H 64 4.990 5.007 -0.017 1 1 717 . 2 1 1 A 64 64 ASN CA C 64 52.100 52.464 -0.364 1 1 718 . 2 1 1 A 64 64 ASN CB C 64 40.600 39.595 1.005 1 1 719 . 2 1 1 A 64 64 ASN N N 64 117.400 119.774 -2.374 1 1 721 . 2 1 1 A 65 65 LYS H H 65 9.250 8.851 0.399 1 1 722 . 2 1 1 A 65 65 LYS HA H 65 3.720 4.060 -0.340 1 1 731 . 2 1 1 A 65 65 LYS CA C 65 60.900 58.929 1.971 1 1 732 . 2 1 1 A 65 65 LYS CB C 65 31.200 31.976 -0.776 1 1 736 . 2 1 1 A 65 65 LYS N N 65 123.200 122.669 0.531 1 1 737 . 2 1 1 A 66 66 SER H H 66 8.700 8.133 0.567 1 1 738 . 2 1 1 A 66 66 SER HA H 66 4.050 4.230 -0.180 1 1 741 . 2 1 1 A 66 66 SER CA C 66 61.200 61.688 -0.488 1 1 742 . 2 1 1 A 66 66 SER CB C 66 62.200 62.921 -0.721 1 1 743 . 2 1 1 A 66 66 SER N N 66 114.300 117.967 -3.667 1 1 744 . 2 1 1 A 67 67 ASP H H 67 7.510 8.261 -0.751 1 1 745 . 2 1 1 A 67 67 ASP HA H 67 4.500 4.465 0.035 1 1 748 . 2 1 1 A 67 67 ASP CA C 67 56.700 56.974 -0.274 1 1 749 . 2 1 1 A 67 67 ASP CB C 67 41.000 40.333 0.667 1 1 750 . 2 1 1 A 67 67 ASP N N 67 119.800 122.032 -2.232 1 1 751 . 2 1 1 A 68 68 LEU H H 68 7.440 7.421 0.019 1 1 752 . 2 1 1 A 68 68 LEU HA H 68 4.500 4.399 0.101 1 1 762 . 2 1 1 A 68 68 LEU CA C 68 55.700 55.836 -0.136 1 1 763 . 2 1 1 A 68 68 LEU CB C 68 43.500 42.563 0.937 1 1 767 . 2 1 1 A 68 68 LEU N N 68 113.800 117.545 -3.745 1 1 768 . 2 1 1 A 69 69 ILE H H 69 7.500 7.594 -0.094 1 1 769 . 2 1 1 A 69 69 ILE HA H 69 4.390 4.314 0.076 1 1 779 . 2 1 1 A 69 69 ILE CA C 69 61.700 62.455 -0.755 1 1 780 . 2 1 1 A 69 69 ILE CB C 69 39.600 38.810 0.790 1 1 784 . 2 1 1 A 69 69 ILE N N 69 112.800 116.761 -3.961 1 1 785 . 2 1 1 A 70 70 GLU H H 70 7.680 7.900 -0.220 1 1 786 . 2 1 1 A 70 70 GLU HA H 70 4.500 4.375 0.125 1 1 791 . 2 1 1 A 70 70 GLU CA C 70 55.200 56.739 -1.539 1 1 792 . 2 1 1 A 70 70 GLU CB C 70 30.800 29.789 1.011 1 1 794 . 2 1 1 A 70 70 GLU N N 70 118.300 121.351 -3.051 1 1 795 . 2 1 1 A 71 71 ASP H H 71 8.660 8.559 0.101 1 1 796 . 2 1 1 A 71 71 ASP HA H 71 4.640 4.586 0.054 1 1 799 . 2 1 1 A 71 71 ASP CA C 71 53.400 53.297 0.103 1 1 800 . 2 1 1 A 71 71 ASP CB C 71 40.800 40.433 0.367 1 1 801 . 2 1 1 A 71 71 ASP N N 71 121.100 124.081 -2.981 1 1 802 . 2 1 1 A 72 72 LYS H H 72 8.980 9.043 -0.063 1 1 803 . 2 1 1 A 72 72 LYS HA H 72 4.270 4.475 -0.205 1 1 812 . 2 1 1 A 72 72 LYS CA C 72 56.400 57.073 -0.673 1 1 813 . 2 1 1 A 72 72 LYS CB C 72 32.400 32.686 -0.286 1 1 817 . 2 1 1 A 72 72 LYS N N 72 126.200 127.556 -1.356 1 1 818 . 2 1 1 A 73 73 LYS H H 73 8.460 7.697 0.763 1 1 819 . 2 1 1 A 73 73 LYS HA H 73 4.180 4.519 -0.339 1 1 828 . 2 1 1 A 73 73 LYS CA C 73 56.500 55.218 1.282 1 1 829 . 2 1 1 A 73 73 LYS CB C 73 31.600 32.195 -0.595 1 1 833 . 2 1 1 A 73 73 LYS N N 73 120.300 118.831 1.469 1 1 834 . 2 1 1 A 74 74 LEU H H 74 7.910 7.225 0.685 1 1 835 . 2 1 1 A 74 74 LEU HA H 74 4.260 4.489 -0.229 1 1 845 . 2 1 1 A 74 74 LEU CA C 74 55.000 54.213 0.787 1 1 846 . 2 1 1 A 74 74 LEU CB C 74 42.200 40.405 1.795 1 1 850 . 2 1 1 A 74 74 LEU N N 74 120.900 121.810 -0.910 1 1 851 . 2 1 1 A 75 75 ASN H H 75 8.320 8.184 0.136 1 1 852 . 2 1 1 A 75 75 ASN HA H 75 4.710 4.720 -0.010 1 1 857 . 2 1 1 A 75 75 ASN CA C 75 53.000 53.615 -0.615 1 1 858 . 2 1 1 A 75 75 ASN CB C 75 38.700 38.372 0.328 1 1 859 . 2 1 1 A 75 75 ASN N N 75 119.300 122.481 -3.181 1 1 861 . 2 1 1 A 76 76 ILE H H 76 8.010 8.490 -0.480 1 1 862 . 2 1 1 A 76 76 ILE HA H 76 4.180 4.031 0.149 1 1 872 . 2 1 1 A 76 76 ILE CA C 76 61.000 61.699 -0.699 1 1 873 . 2 1 1 A 76 76 ILE CB C 76 38.700 38.403 0.297 1 1 877 . 2 1 1 A 76 76 ILE N N 76 120.200 124.738 -4.538 1 1 878 . 2 1 1 A 77 77 ASP H H 77 8.390 8.666 -0.276 1 1 879 . 2 1 1 A 77 77 ASP HA H 77 4.660 4.831 -0.171 1 1 882 . 2 1 1 A 77 77 ASP CA C 77 54.200 53.814 0.386 1 1 883 . 2 1 1 A 77 77 ASP CB C 77 41.100 39.006 2.094 1 1 884 . 2 1 1 A 77 77 ASP N N 77 123.500 126.061 -2.561 1 1 885 . 2 1 1 A 78 78 THR H H 78 8.010 8.713 -0.703 1 1 886 . 2 1 1 A 78 78 THR HA H 78 4.310 5.025 -0.715 1 1 891 . 2 1 1 A 78 78 THR CA C 78 61.600 61.131 0.469 1 1 892 . 2 1 1 A 78 78 THR CB C 78 69.700 71.415 -1.715 1 1 894 . 2 1 1 A 78 78 THR N N 78 114.200 121.156 -6.956 1 1 895 . 2 1 1 A 79 79 VAL H H 79 8.090 8.984 -0.894 1 1 896 . 2 1 1 A 79 79 VAL HA H 79 4.390 4.536 -0.146 1 1 904 . 2 1 1 A 79 79 VAL CA C 79 59.900 59.354 0.546 1 1 905 . 2 1 1 A 79 79 VAL CB C 79 32.400 31.925 0.475 1 1 908 . 2 1 1 A 79 79 VAL N N 79 124.000 124.155 -0.155 1 1 909 . 2 1 1 A 80 80 PRO HA H 80 4.420 4.659 -0.239 1 1 916 . 2 1 1 A 80 80 PRO CA C 80 62.900 62.688 0.212 1 1 917 . 2 1 1 A 80 80 PRO CB C 80 31.900 32.392 -0.492 1 1 920 . 2 1 1 A 81 81 ILE H H 81 8.210 8.434 -0.224 1 1 921 . 2 1 1 A 81 81 ILE HA H 81 4.110 4.367 -0.257 1 1 931 . 2 1 1 A 81 81 ILE CA C 81 61.200 60.098 1.102 1 1 932 . 2 1 1 A 81 81 ILE CB C 81 38.600 39.585 -0.985 1 1 936 . 2 1 1 A 81 81 ILE N N 81 121.300 122.438 -1.138 1 1 937 . 2 1 1 A 82 82 GLU H H 82 8.510 9.134 -0.624 1 1 938 . 2 1 1 A 82 82 GLU HA H 82 4.300 4.255 0.045 1 1 943 . 2 1 1 A 82 82 GLU CA C 82 56.300 57.161 -0.861 1 1 944 . 2 1 1 A 82 82 GLU CB C 82 30.000 29.362 0.638 1 1 946 . 2 1 1 A 82 82 GLU N N 82 124.600 129.799 -5.199 1 1 947 . 2 1 1 A 83 83 SER H H 83 8.330 8.649 -0.319 1 1 948 . 2 1 1 A 83 83 SER HA H 83 4.400 4.369 0.031 1 1 951 . 2 1 1 A 83 83 SER CA C 83 58.500 60.688 -2.188 1 1 952 . 2 1 1 A 83 83 SER CB C 83 63.600 62.068 1.532 1 1 953 . 2 1 1 A 83 83 SER N N 83 116.900 116.234 0.666 1 1 954 . 2 1 1 A 84 84 GLY H H 84 8.400 8.547 -0.147 1 1 955 . 2 1 1 A 84 84 GLY HA2 H 84 3.900 4.313 -0.413 1 1 956 . 2 1 1 A 84 84 GLY HA3 H 84 3.900 4.333 -0.433 1 1 957 . 2 1 1 A 84 84 GLY CA C 84 45.300 43.999 1.301 1 1 958 . 2 1 1 A 84 84 GLY N N 84 110.400 109.337 1.063 1 1 959 . 2 1 1 A 85 85 TYR H H 85 8.000 8.689 -0.689 1 1 960 . 2 1 1 A 85 85 TYR HA H 85 4.600 5.196 -0.596 1 1 967 . 2 1 1 A 85 85 TYR CA C 85 57.900 56.418 1.482 1 1 968 . 2 1 1 A 85 85 TYR CB C 85 38.700 41.324 -2.624 1 1 971 . 2 1 1 A 85 85 TYR N N 85 120.000 123.546 -3.546 1 1 972 . 2 1 1 A 86 86 THR H H 86 8.070 8.380 -0.310 1 1 973 . 2 1 1 A 86 86 THR HA H 86 4.280 4.803 -0.523 1 1 978 . 2 1 1 A 86 86 THR CA C 86 61.600 60.404 1.196 1 1 979 . 2 1 1 A 86 86 THR CB C 86 69.700 69.833 -0.133 1 1 1 . 3 1 1 A 4 4 ASP H H 4 8.270 7.763 0.507 1 1 2 . 3 1 1 A 4 4 ASP HA H 4 4.550 4.900 -0.350 1 1 5 . 3 1 1 A 4 4 ASP CA C 4 54.700 52.869 1.831 1 1 6 . 3 1 1 A 4 4 ASP CB C 4 41.400 41.429 -0.029 1 1 7 . 3 1 1 A 4 4 ASP N N 4 121.200 119.641 1.559 1 1 8 . 3 1 1 A 5 5 LYS HA H 5 4.160 3.865 0.295 1 1 13 . 3 1 1 A 5 5 LYS CA C 5 58.300 60.058 -1.758 1 1 14 . 3 1 1 A 5 5 LYS CB C 5 32.400 32.029 0.371 1 1 16 . 3 1 1 A 6 6 GLN H H 6 8.170 7.983 0.187 1 1 17 . 3 1 1 A 6 6 GLN HA H 6 4.090 4.047 0.043 1 1 24 . 3 1 1 A 6 6 GLN CA C 6 59.000 58.878 0.122 1 1 25 . 3 1 1 A 6 6 GLN CB C 6 28.500 28.378 0.122 1 1 27 . 3 1 1 A 6 6 GLN N N 6 117.400 117.972 -0.572 1 1 29 . 3 1 1 A 7 7 LYS H H 7 7.970 7.938 0.032 1 1 30 . 3 1 1 A 7 7 LYS HA H 7 4.030 4.144 -0.114 1 1 39 . 3 1 1 A 7 7 LYS CA C 7 59.500 58.714 0.786 1 1 40 . 3 1 1 A 7 7 LYS CB C 7 32.500 32.218 0.282 1 1 44 . 3 1 1 A 7 7 LYS N N 7 119.400 118.873 0.527 1 1 45 . 3 1 1 A 8 8 ALA H H 8 7.980 7.807 0.173 1 1 46 . 3 1 1 A 8 8 ALA HA H 8 4.110 4.083 0.027 1 1 50 . 3 1 1 A 8 8 ALA CA C 8 55.000 55.099 -0.099 1 1 51 . 3 1 1 A 8 8 ALA CB C 8 18.100 18.421 -0.321 1 1 52 . 3 1 1 A 8 8 ALA N N 8 123.300 121.003 2.297 1 1 53 . 3 1 1 A 9 9 ILE H H 9 8.070 7.980 0.090 1 1 54 . 3 1 1 A 9 9 ILE HA H 9 3.760 3.695 0.065 1 1 64 . 3 1 1 A 9 9 ILE CA C 9 63.800 65.591 -1.791 1 1 65 . 3 1 1 A 9 9 ILE CB C 9 38.900 37.868 1.032 1 1 69 . 3 1 1 A 9 9 ILE N N 9 119.200 120.709 -1.509 1 1 70 . 3 1 1 A 10 10 PHE H H 10 8.020 8.608 -0.588 1 1 71 . 3 1 1 A 10 10 PHE HA H 10 4.720 4.518 0.202 1 1 79 . 3 1 1 A 10 10 PHE CA C 10 60.400 62.048 -1.648 1 1 80 . 3 1 1 A 10 10 PHE CB C 10 39.400 39.000 0.400 1 1 84 . 3 1 1 A 10 10 PHE N N 10 118.900 121.035 -2.135 1 1 85 . 3 1 1 A 11 11 SER H H 11 8.420 8.570 -0.150 1 1 86 . 3 1 1 A 11 11 SER HA H 11 3.890 3.980 -0.090 1 1 89 . 3 1 1 A 11 11 SER CA C 11 62.000 61.729 0.271 1 1 90 . 3 1 1 A 11 11 SER CB C 11 62.800 62.971 -0.171 1 1 91 . 3 1 1 A 11 11 SER N N 11 112.700 114.104 -1.404 1 1 92 . 3 1 1 A 12 12 GLU H H 12 8.050 8.027 0.023 1 1 93 . 3 1 1 A 12 12 GLU HA H 12 4.130 3.970 0.160 1 1 98 . 3 1 1 A 12 12 GLU CA C 12 59.400 59.179 0.221 1 1 99 . 3 1 1 A 12 12 GLU CB C 12 29.100 29.196 -0.096 1 1 101 . 3 1 1 A 12 12 GLU N N 12 123.000 121.626 1.374 1 1 102 . 3 1 1 A 13 13 ASN H H 13 8.390 8.232 0.158 1 1 103 . 3 1 1 A 13 13 ASN HA H 13 4.470 4.085 0.385 1 1 108 . 3 1 1 A 13 13 ASN CA C 13 55.700 56.023 -0.323 1 1 109 . 3 1 1 A 13 13 ASN CB C 13 37.900 38.264 -0.364 1 1 110 . 3 1 1 A 13 13 ASN N N 13 119.100 118.650 0.450 1 1 112 . 3 1 1 A 14 14 LEU H H 14 9.170 7.775 1.395 1 1 113 . 3 1 1 A 14 14 LEU HA H 14 3.860 3.886 -0.026 1 1 123 . 3 1 1 A 14 14 LEU CA C 14 58.800 57.675 1.125 1 1 124 . 3 1 1 A 14 14 LEU CB C 14 41.100 41.641 -0.541 1 1 128 . 3 1 1 A 14 14 LEU N N 14 122.200 120.718 1.482 1 1 129 . 3 1 1 A 15 15 ASN H H 15 8.700 8.538 0.162 1 1 130 . 3 1 1 A 15 15 ASN HA H 15 4.520 4.494 0.026 1 1 135 . 3 1 1 A 15 15 ASN CA C 15 56.600 56.377 0.223 1 1 136 . 3 1 1 A 15 15 ASN CB C 15 37.900 39.336 -1.436 1 1 137 . 3 1 1 A 15 15 ASN N N 15 115.400 117.665 -2.265 1 1 139 . 3 1 1 A 16 16 SER H H 16 7.860 8.021 -0.161 1 1 140 . 3 1 1 A 16 16 SER HA H 16 4.250 4.143 0.107 1 1 143 . 3 1 1 A 16 16 SER CA C 16 61.400 61.867 -0.467 1 1 144 . 3 1 1 A 16 16 SER CB C 16 62.100 63.232 -1.132 1 1 145 . 3 1 1 A 16 16 SER N N 16 117.600 116.298 1.302 1 1 146 . 3 1 1 A 17 17 TYR H H 17 7.740 7.022 0.718 1 1 147 . 3 1 1 A 17 17 TYR HA H 17 3.900 4.206 -0.306 1 1 154 . 3 1 1 A 17 17 TYR CA C 17 63.500 61.032 2.468 1 1 155 . 3 1 1 A 17 17 TYR CB C 17 35.600 37.500 -1.900 1 1 158 . 3 1 1 A 17 17 TYR N N 17 120.700 119.653 1.047 1 1 159 . 3 1 1 A 18 18 ILE H H 18 8.660 7.889 0.771 1 1 160 . 3 1 1 A 18 18 ILE HA H 18 3.710 3.899 -0.189 1 1 170 . 3 1 1 A 18 18 ILE CA C 18 66.400 65.472 0.928 1 1 171 . 3 1 1 A 18 18 ILE CB C 18 38.300 38.628 -0.328 1 1 175 . 3 1 1 A 18 18 ILE N N 18 121.800 120.628 1.172 1 1 176 . 3 1 1 A 19 19 ALA H H 19 8.010 8.375 -0.365 1 1 177 . 3 1 1 A 19 19 ALA HA H 19 4.220 4.098 0.122 1 1 181 . 3 1 1 A 19 19 ALA CA C 19 55.000 55.085 -0.085 1 1 182 . 3 1 1 A 19 19 ALA CB C 19 17.800 18.017 -0.217 1 1 183 . 3 1 1 A 19 19 ALA N N 19 121.900 122.068 -0.168 1 1 184 . 3 1 1 A 20 20 LYS H H 20 7.650 7.975 -0.325 1 1 185 . 3 1 1 A 20 20 LYS HA H 20 4.200 4.038 0.162 1 1 194 . 3 1 1 A 20 20 LYS CA C 20 57.900 59.135 -1.235 1 1 195 . 3 1 1 A 20 20 LYS CB C 20 33.000 32.357 0.643 1 1 199 . 3 1 1 A 20 20 LYS N N 20 116.500 117.994 -1.494 1 1 200 . 3 1 1 A 21 21 SER H H 21 8.000 7.830 0.170 1 1 201 . 3 1 1 A 21 21 SER HA H 21 4.460 4.563 -0.103 1 1 204 . 3 1 1 A 21 21 SER CA C 21 60.100 58.349 1.751 1 1 205 . 3 1 1 A 21 21 SER CB C 21 64.700 64.433 0.267 1 1 206 . 3 1 1 A 21 21 SER N N 21 114.400 115.743 -1.343 1 1 207 . 3 1 1 A 22 22 GLU H H 22 7.970 8.890 -0.920 1 1 208 . 3 1 1 A 22 22 GLU HA H 22 4.140 4.245 -0.105 1 1 213 . 3 1 1 A 22 22 GLU CA C 22 57.900 58.825 -0.925 1 1 214 . 3 1 1 A 22 22 GLU CB C 22 27.700 30.172 -2.472 1 1 216 . 3 1 1 A 22 22 GLU N N 22 116.000 124.080 -8.080 1 1 217 . 3 1 1 A 23 23 LYS H H 23 8.070 7.418 0.652 1 1 218 . 3 1 1 A 23 23 LYS HA H 23 4.730 4.298 0.432 1 1 227 . 3 1 1 A 23 23 LYS CA C 23 53.800 56.650 -2.850 1 1 228 . 3 1 1 A 23 23 LYS CB C 23 34.300 32.722 1.578 1 1 232 . 3 1 1 A 23 23 LYS N N 23 119.500 120.342 -0.842 1 1 233 . 3 1 1 A 24 24 THR H H 24 8.690 8.605 0.085 1 1 234 . 3 1 1 A 24 24 THR HA H 24 4.460 4.760 -0.300 1 1 239 . 3 1 1 A 24 24 THR CA C 24 60.200 60.624 -0.424 1 1 240 . 3 1 1 A 24 24 THR CB C 24 71.200 71.480 -0.280 1 1 242 . 3 1 1 A 24 24 THR N N 24 109.900 114.217 -4.317 1 1 243 . 3 1 1 A 25 25 GLN H H 25 8.840 8.953 -0.113 1 1 244 . 3 1 1 A 25 25 GLN HA H 25 3.640 3.870 -0.230 1 1 251 . 3 1 1 A 25 25 GLN CA C 25 59.900 59.014 0.886 1 1 252 . 3 1 1 A 25 25 GLN CB C 25 28.300 28.304 -0.004 1 1 254 . 3 1 1 A 25 25 GLN N N 25 118.500 121.010 -2.510 1 1 256 . 3 1 1 A 26 26 LEU H H 26 7.690 8.226 -0.536 1 1 257 . 3 1 1 A 26 26 LEU HA H 26 3.790 3.889 -0.099 1 1 267 . 3 1 1 A 26 26 LEU CA C 26 57.900 57.648 0.252 1 1 268 . 3 1 1 A 26 26 LEU CB C 26 41.800 41.389 0.411 1 1 272 . 3 1 1 A 26 26 LEU N N 26 116.000 120.432 -4.432 1 1 273 . 3 1 1 A 27 27 GLU H H 27 7.540 7.995 -0.455 1 1 274 . 3 1 1 A 27 27 GLU HA H 27 3.880 3.990 -0.110 1 1 279 . 3 1 1 A 27 27 GLU CA C 27 58.800 59.301 -0.501 1 1 280 . 3 1 1 A 27 27 GLU CB C 27 29.500 29.276 0.224 1 1 282 . 3 1 1 A 27 27 GLU N N 27 118.200 119.009 -0.809 1 1 283 . 3 1 1 A 28 28 ILE H H 28 7.710 7.598 0.112 1 1 284 . 3 1 1 A 28 28 ILE HA H 28 2.970 3.186 -0.216 1 1 294 . 3 1 1 A 28 28 ILE CA C 28 65.100 65.024 0.076 1 1 295 . 3 1 1 A 28 28 ILE CB C 28 37.400 37.801 -0.401 1 1 299 . 3 1 1 A 28 28 ILE N N 28 121.400 120.249 1.151 1 1 300 . 3 1 1 A 29 29 ALA H H 29 7.690 7.810 -0.120 1 1 301 . 3 1 1 A 29 29 ALA HA H 29 3.230 3.810 -0.580 1 1 305 . 3 1 1 A 29 29 ALA CA C 29 55.300 55.368 -0.068 1 1 306 . 3 1 1 A 29 29 ALA CB C 29 16.300 18.149 -1.849 1 1 307 . 3 1 1 A 29 29 ALA N N 29 120.500 121.570 -1.070 1 1 308 . 3 1 1 A 30 30 LYS H H 30 7.580 7.927 -0.347 1 1 309 . 3 1 1 A 30 30 LYS HA H 30 4.050 3.947 0.103 1 1 318 . 3 1 1 A 30 30 LYS CA C 30 58.800 59.369 -0.569 1 1 319 . 3 1 1 A 30 30 LYS CB C 30 32.000 32.080 -0.080 1 1 323 . 3 1 1 A 30 30 LYS N N 30 114.800 117.543 -2.743 1 1 324 . 3 1 1 A 31 31 SER H H 31 7.680 7.522 0.158 1 1 325 . 3 1 1 A 31 31 SER HA H 31 4.220 4.214 0.006 1 1 328 . 3 1 1 A 31 31 SER CA C 31 62.300 61.849 0.451 1 1 329 . 3 1 1 A 31 31 SER CB C 31 63.300 62.886 0.414 1 1 330 . 3 1 1 A 31 31 SER N N 31 115.800 116.763 -0.963 1 1 331 . 3 1 1 A 32 32 ILE H H 32 7.800 7.567 0.233 1 1 332 . 3 1 1 A 32 32 ILE HA H 32 4.400 3.900 0.500 1 1 342 . 3 1 1 A 32 32 ILE CA C 32 60.300 62.950 -2.650 1 1 343 . 3 1 1 A 32 32 ILE CB C 32 37.500 38.639 -1.139 1 1 347 . 3 1 1 A 32 32 ILE N N 32 113.800 117.327 -3.527 1 1 348 . 3 1 1 A 33 33 GLY H H 33 7.880 8.166 -0.286 1 1 349 . 3 1 1 A 33 33 GLY HA2 H 33 3.890 4.008 -0.118 1 1 350 . 3 1 1 A 33 33 GLY HA3 H 33 4.040 4.030 0.010 1 1 351 . 3 1 1 A 33 33 GLY CA C 33 46.800 45.050 1.750 1 1 352 . 3 1 1 A 33 33 GLY N N 33 110.500 108.499 2.001 1 1 353 . 3 1 1 A 34 34 VAL H H 34 7.910 7.545 0.365 1 1 354 . 3 1 1 A 34 34 VAL HA H 34 4.720 4.804 -0.084 1 1 362 . 3 1 1 A 34 34 VAL CA C 34 58.700 59.474 -0.774 1 1 363 . 3 1 1 A 34 34 VAL CB C 34 35.500 34.776 0.724 1 1 366 . 3 1 1 A 34 34 VAL N N 34 113.500 117.034 -3.534 1 1 367 . 3 1 1 A 35 35 SER H H 35 8.650 8.572 0.078 1 1 368 . 3 1 1 A 35 35 SER HA H 35 4.580 4.602 -0.022 1 1 371 . 3 1 1 A 35 35 SER CA C 35 55.900 57.160 -1.260 1 1 372 . 3 1 1 A 35 35 SER CB C 35 62.800 62.545 0.255 1 1 373 . 3 1 1 A 35 35 SER N N 35 118.400 118.889 -0.489 1 1 374 . 3 1 1 A 36 36 PRO HA H 36 3.950 4.242 -0.292 1 1 381 . 3 1 1 A 36 36 PRO CA C 36 65.100 65.118 -0.018 1 1 382 . 3 1 1 A 36 36 PRO CB C 36 31.500 32.050 -0.550 1 1 385 . 3 1 1 A 37 37 GLN H H 37 8.300 8.234 0.066 1 1 386 . 3 1 1 A 37 37 GLN HA H 37 4.030 4.021 0.009 1 1 393 . 3 1 1 A 37 37 GLN CA C 37 59.400 58.618 0.782 1 1 394 . 3 1 1 A 37 37 GLN CB C 37 27.400 28.427 -1.027 1 1 396 . 3 1 1 A 37 37 GLN N N 37 117.300 117.403 -0.103 1 1 398 . 3 1 1 A 38 38 THR H H 38 7.790 7.544 0.246 1 1 399 . 3 1 1 A 38 38 THR HA H 38 3.590 3.744 -0.154 1 1 404 . 3 1 1 A 38 38 THR CA C 38 66.000 65.844 0.156 1 1 405 . 3 1 1 A 38 38 THR CB C 38 67.900 68.217 -0.317 1 1 407 . 3 1 1 A 38 38 THR N N 38 119.500 117.310 2.190 1 1 408 . 3 1 1 A 39 39 PHE H H 39 8.150 7.871 0.279 1 1 409 . 3 1 1 A 39 39 PHE HA H 39 2.690 3.123 -0.433 1 1 417 . 3 1 1 A 39 39 PHE CA C 39 60.700 61.205 -0.505 1 1 418 . 3 1 1 A 39 39 PHE CB C 39 39.500 38.860 0.640 1 1 422 . 3 1 1 A 39 39 PHE N N 39 123.200 122.463 0.737 1 1 423 . 3 1 1 A 40 40 ASN H H 40 8.270 8.353 -0.083 1 1 424 . 3 1 1 A 40 40 ASN HA H 40 4.410 4.487 -0.077 1 1 429 . 3 1 1 A 40 40 ASN CA C 40 56.800 56.420 0.380 1 1 430 . 3 1 1 A 40 40 ASN CB C 40 38.700 38.870 -0.170 1 1 431 . 3 1 1 A 40 40 ASN N N 40 115.400 116.900 -1.500 1 1 433 . 3 1 1 A 41 41 THR H H 41 7.520 7.638 -0.118 1 1 434 . 3 1 1 A 41 41 THR HA H 41 4.010 4.137 -0.127 1 1 439 . 3 1 1 A 41 41 THR CA C 41 66.000 64.881 1.119 1 1 440 . 3 1 1 A 41 41 THR CB C 41 69.100 68.487 0.613 1 1 442 . 3 1 1 A 41 41 THR N N 41 109.700 112.989 -3.289 1 1 443 . 3 1 1 A 42 42 TRP H H 42 7.190 6.673 0.517 1 1 444 . 3 1 1 A 42 42 TRP HA H 42 5.420 4.541 0.879 1 1 453 . 3 1 1 A 42 42 TRP CA C 42 56.300 59.440 -3.140 1 1 454 . 3 1 1 A 42 42 TRP CB C 42 28.400 29.569 -1.169 1 1 460 . 3 1 1 A 42 42 TRP N N 42 124.000 121.131 2.869 1 1 462 . 3 1 1 A 43 43 CYS H H 43 7.610 7.939 -0.329 1 1 463 . 3 1 1 A 43 43 CYS HA H 43 4.090 4.285 -0.195 1 1 466 . 3 1 1 A 43 43 CYS CA C 43 62.600 62.513 0.087 1 1 467 . 3 1 1 A 43 43 CYS CB C 43 27.600 27.329 0.271 1 1 468 . 3 1 1 A 43 43 CYS N N 43 117.200 119.573 -2.373 1 1 469 . 3 1 1 A 44 44 LYS H H 44 7.870 7.897 -0.027 1 1 470 . 3 1 1 A 44 44 LYS HA H 44 4.410 4.357 0.053 1 1 479 . 3 1 1 A 44 44 LYS CA C 44 55.500 55.870 -0.370 1 1 480 . 3 1 1 A 44 44 LYS CB C 44 33.100 32.927 0.173 1 1 484 . 3 1 1 A 44 44 LYS N N 44 115.700 117.919 -2.219 1 1 485 . 3 1 1 A 45 45 GLY H H 45 7.800 7.856 -0.056 1 1 486 . 3 1 1 A 45 45 GLY HA2 H 45 3.980 3.957 0.023 1 1 487 . 3 1 1 A 45 45 GLY HA3 H 45 4.200 3.990 0.210 1 1 488 . 3 1 1 A 45 45 GLY CA C 45 46.100 46.718 -0.618 1 1 489 . 3 1 1 A 45 45 GLY N N 45 107.200 107.637 -0.437 1 1 490 . 3 1 1 A 46 46 ILE H H 46 7.890 8.431 -0.541 1 1 491 . 3 1 1 A 46 46 ILE HA H 46 4.110 4.079 0.031 1 1 501 . 3 1 1 A 46 46 ILE CA C 46 61.600 63.104 -1.504 1 1 502 . 3 1 1 A 46 46 ILE CB C 46 39.100 38.547 0.553 1 1 506 . 3 1 1 A 46 46 ILE N N 46 115.700 117.756 -2.056 1 1 507 . 3 1 1 A 47 47 ALA H H 47 7.540 7.555 -0.015 1 1 508 . 3 1 1 A 47 47 ALA HA H 47 4.590 4.862 -0.272 1 1 512 . 3 1 1 A 47 47 ALA CA C 47 50.700 50.970 -0.270 1 1 513 . 3 1 1 A 47 47 ALA CB C 47 22.600 23.103 -0.503 1 1 514 . 3 1 1 A 47 47 ALA N N 47 121.600 119.235 2.365 1 1 515 . 3 1 1 A 48 48 ILE H H 48 8.260 8.815 -0.555 1 1 516 . 3 1 1 A 48 48 ILE HA H 48 4.080 4.418 -0.338 1 1 526 . 3 1 1 A 48 48 ILE CA C 48 56.600 57.036 -0.436 1 1 527 . 3 1 1 A 48 48 ILE CB C 48 40.800 39.583 1.217 1 1 531 . 3 1 1 A 48 48 ILE N N 48 118.900 119.975 -1.075 1 1 532 . 3 1 1 A 49 49 PRO HA H 49 4.230 4.490 -0.260 1 1 539 . 3 1 1 A 49 49 PRO CA C 49 61.300 62.133 -0.833 1 1 540 . 3 1 1 A 49 49 PRO CB C 49 31.900 31.569 0.331 1 1 543 . 3 1 1 A 50 50 ARG H H 50 8.130 8.340 -0.210 1 1 544 . 3 1 1 A 50 50 ARG HA H 50 4.170 4.156 0.014 1 1 551 . 3 1 1 A 50 50 ARG CA C 50 55.600 55.967 -0.367 1 1 552 . 3 1 1 A 50 50 ARG CB C 50 30.500 31.403 -0.903 1 1 555 . 3 1 1 A 50 50 ARG N N 50 115.900 122.075 -6.175 1 1 556 . 3 1 1 A 51 51 MET H H 51 8.680 8.827 -0.147 1 1 557 . 3 1 1 A 51 51 MET HA H 51 4.120 4.093 0.027 1 1 565 . 3 1 1 A 51 51 MET CA C 51 57.700 58.483 -0.783 1 1 566 . 3 1 1 A 51 51 MET CB C 51 31.200 32.710 -1.510 1 1 569 . 3 1 1 A 51 51 MET N N 51 120.000 125.943 -5.943 1 1 570 . 3 1 1 A 52 52 GLY HA2 H 52 4.000 3.850 0.150 1 1 571 . 3 1 1 A 52 52 GLY HA3 H 52 3.920 3.851 0.069 1 1 572 . 3 1 1 A 52 52 GLY CA C 52 46.800 46.956 -0.156 1 1 573 . 3 1 1 A 53 53 LYS H H 53 7.520 8.078 -0.558 1 1 574 . 3 1 1 A 53 53 LYS HA H 53 4.450 4.195 0.255 1 1 583 . 3 1 1 A 53 53 LYS CA C 53 56.200 59.054 -2.854 1 1 584 . 3 1 1 A 53 53 LYS CB C 53 32.200 32.654 -0.454 1 1 588 . 3 1 1 A 53 53 LYS N N 53 119.900 122.255 -2.355 1 1 589 . 3 1 1 A 54 54 VAL H H 54 7.650 7.817 -0.167 1 1 590 . 3 1 1 A 54 54 VAL HA H 54 3.420 3.563 -0.143 1 1 598 . 3 1 1 A 54 54 VAL CA C 54 67.600 66.474 1.126 1 1 599 . 3 1 1 A 54 54 VAL CB C 54 30.600 31.271 -0.671 1 1 602 . 3 1 1 A 54 54 VAL N N 54 121.300 120.303 0.997 1 1 603 . 3 1 1 A 55 55 GLN H H 55 8.460 8.211 0.249 1 1 604 . 3 1 1 A 55 55 GLN HA H 55 3.790 3.961 -0.171 1 1 611 . 3 1 1 A 55 55 GLN CA C 55 58.000 58.488 -0.488 1 1 612 . 3 1 1 A 55 55 GLN CB C 55 28.200 28.601 -0.401 1 1 614 . 3 1 1 A 55 55 GLN N N 55 118.100 120.779 -2.679 1 1 616 . 3 1 1 A 56 56 ALA H H 56 7.550 7.473 0.077 1 1 617 . 3 1 1 A 56 56 ALA HA H 56 4.310 4.149 0.161 1 1 621 . 3 1 1 A 56 56 ALA CA C 56 55.100 55.103 -0.003 1 1 622 . 3 1 1 A 56 56 ALA CB C 56 18.100 18.086 0.014 1 1 623 . 3 1 1 A 56 56 ALA N N 56 120.300 122.410 -2.110 1 1 624 . 3 1 1 A 57 57 LEU H H 57 8.170 8.225 -0.055 1 1 625 . 3 1 1 A 57 57 LEU HA H 57 3.950 4.082 -0.132 1 1 635 . 3 1 1 A 57 57 LEU CA C 57 57.500 58.196 -0.696 1 1 636 . 3 1 1 A 57 57 LEU CB C 57 43.500 42.077 1.423 1 1 640 . 3 1 1 A 57 57 LEU N N 57 120.100 119.275 0.825 1 1 641 . 3 1 1 A 58 58 ALA H H 58 8.430 8.644 -0.214 1 1 642 . 3 1 1 A 58 58 ALA HA H 58 3.820 4.166 -0.346 1 1 646 . 3 1 1 A 58 58 ALA CA C 58 54.600 55.379 -0.779 1 1 647 . 3 1 1 A 58 58 ALA CB C 58 16.400 18.013 -1.613 1 1 648 . 3 1 1 A 58 58 ALA N N 58 122.600 121.298 1.302 1 1 649 . 3 1 1 A 59 59 ASP H H 59 8.790 8.324 0.466 1 1 650 . 3 1 1 A 59 59 ASP HA H 59 4.440 4.439 0.001 1 1 653 . 3 1 1 A 59 59 ASP CA C 59 57.000 57.407 -0.407 1 1 654 . 3 1 1 A 59 59 ASP CB C 59 39.800 41.107 -1.307 1 1 655 . 3 1 1 A 59 59 ASP N N 59 117.900 119.514 -1.614 1 1 656 . 3 1 1 A 60 60 TYR H H 60 8.050 8.195 -0.145 1 1 657 . 3 1 1 A 60 60 TYR HA H 60 3.820 4.199 -0.379 1 1 664 . 3 1 1 A 60 60 TYR CA C 60 62.000 61.390 0.610 1 1 665 . 3 1 1 A 60 60 TYR CB C 60 38.200 38.246 -0.046 1 1 668 . 3 1 1 A 60 60 TYR N N 60 122.300 120.813 1.487 1 1 669 . 3 1 1 A 61 61 PHE H H 61 7.860 7.623 0.237 1 1 670 . 3 1 1 A 61 61 PHE HA H 61 4.530 4.536 -0.006 1 1 678 . 3 1 1 A 61 61 PHE CA C 61 58.000 57.958 0.042 1 1 679 . 3 1 1 A 61 61 PHE CB C 61 39.800 39.176 0.624 1 1 683 . 3 1 1 A 61 61 PHE N N 61 114.100 115.527 -1.427 1 1 684 . 3 1 1 A 62 62 ASN H H 62 8.040 7.994 0.046 1 1 685 . 3 1 1 A 62 62 ASN HA H 62 4.420 4.334 0.086 1 1 690 . 3 1 1 A 62 62 ASN CA C 62 54.200 54.291 -0.091 1 1 691 . 3 1 1 A 62 62 ASN CB C 62 36.800 37.428 -0.628 1 1 692 . 3 1 1 A 62 62 ASN N N 62 118.100 117.335 0.765 1 1 694 . 3 1 1 A 63 63 ILE H H 63 8.360 7.884 0.476 1 1 695 . 3 1 1 A 63 63 ILE HA H 63 4.710 4.738 -0.028 1 1 705 . 3 1 1 A 63 63 ILE CA C 63 59.600 58.907 0.693 1 1 706 . 3 1 1 A 63 63 ILE CB C 63 39.700 40.478 -0.778 1 1 710 . 3 1 1 A 63 63 ILE N N 63 112.700 114.277 -1.577 1 1 711 . 3 1 1 A 64 64 ASN H H 64 8.860 8.166 0.694 1 1 712 . 3 1 1 A 64 64 ASN HA H 64 4.990 4.920 0.070 1 1 717 . 3 1 1 A 64 64 ASN CA C 64 52.100 52.450 -0.350 1 1 718 . 3 1 1 A 64 64 ASN CB C 64 40.600 39.537 1.063 1 1 719 . 3 1 1 A 64 64 ASN N N 64 117.400 120.196 -2.796 1 1 721 . 3 1 1 A 65 65 LYS H H 65 9.250 8.781 0.469 1 1 722 . 3 1 1 A 65 65 LYS HA H 65 3.720 4.098 -0.378 1 1 731 . 3 1 1 A 65 65 LYS CA C 65 60.900 58.955 1.945 1 1 732 . 3 1 1 A 65 65 LYS CB C 65 31.200 32.041 -0.841 1 1 736 . 3 1 1 A 65 65 LYS N N 65 123.200 122.948 0.252 1 1 737 . 3 1 1 A 66 66 SER H H 66 8.700 8.108 0.592 1 1 738 . 3 1 1 A 66 66 SER HA H 66 4.050 4.157 -0.107 1 1 741 . 3 1 1 A 66 66 SER CA C 66 61.200 62.163 -0.963 1 1 742 . 3 1 1 A 66 66 SER CB C 66 62.200 62.849 -0.649 1 1 743 . 3 1 1 A 66 66 SER N N 66 114.300 117.824 -3.524 1 1 744 . 3 1 1 A 67 67 ASP H H 67 7.510 8.382 -0.872 1 1 745 . 3 1 1 A 67 67 ASP HA H 67 4.500 4.474 0.026 1 1 748 . 3 1 1 A 67 67 ASP CA C 67 56.700 57.050 -0.350 1 1 749 . 3 1 1 A 67 67 ASP CB C 67 41.000 40.245 0.755 1 1 750 . 3 1 1 A 67 67 ASP N N 67 119.800 122.346 -2.546 1 1 751 . 3 1 1 A 68 68 LEU H H 68 7.440 7.672 -0.232 1 1 752 . 3 1 1 A 68 68 LEU HA H 68 4.500 4.178 0.322 1 1 762 . 3 1 1 A 68 68 LEU CA C 68 55.700 56.076 -0.376 1 1 763 . 3 1 1 A 68 68 LEU CB C 68 43.500 42.274 1.226 1 1 767 . 3 1 1 A 68 68 LEU N N 68 113.800 117.731 -3.931 1 1 768 . 3 1 1 A 69 69 ILE H H 69 7.500 7.589 -0.089 1 1 769 . 3 1 1 A 69 69 ILE HA H 69 4.390 4.244 0.146 1 1 779 . 3 1 1 A 69 69 ILE CA C 69 61.700 63.480 -1.780 1 1 780 . 3 1 1 A 69 69 ILE CB C 69 39.600 39.175 0.425 1 1 784 . 3 1 1 A 69 69 ILE N N 69 112.800 117.071 -4.271 1 1 785 . 3 1 1 A 70 70 GLU H H 70 7.680 7.960 -0.280 1 1 786 . 3 1 1 A 70 70 GLU HA H 70 4.500 4.414 0.086 1 1 791 . 3 1 1 A 70 70 GLU CA C 70 55.200 56.453 -1.253 1 1 792 . 3 1 1 A 70 70 GLU CB C 70 30.800 30.271 0.529 1 1 794 . 3 1 1 A 70 70 GLU N N 70 118.300 120.477 -2.177 1 1 795 . 3 1 1 A 71 71 ASP H H 71 8.660 8.496 0.164 1 1 796 . 3 1 1 A 71 71 ASP HA H 71 4.640 4.707 -0.067 1 1 799 . 3 1 1 A 71 71 ASP CA C 71 53.400 54.701 -1.301 1 1 800 . 3 1 1 A 71 71 ASP CB C 71 40.800 41.529 -0.729 1 1 801 . 3 1 1 A 71 71 ASP N N 71 121.100 124.003 -2.903 1 1 802 . 3 1 1 A 72 72 LYS H H 72 8.980 8.942 0.038 1 1 803 . 3 1 1 A 72 72 LYS HA H 72 4.270 4.492 -0.222 1 1 812 . 3 1 1 A 72 72 LYS CA C 72 56.400 56.589 -0.189 1 1 813 . 3 1 1 A 72 72 LYS CB C 72 32.400 32.920 -0.520 1 1 817 . 3 1 1 A 72 72 LYS N N 72 126.200 127.313 -1.113 1 1 818 . 3 1 1 A 73 73 LYS H H 73 8.460 7.826 0.634 1 1 819 . 3 1 1 A 73 73 LYS HA H 73 4.180 4.457 -0.277 1 1 828 . 3 1 1 A 73 73 LYS CA C 73 56.500 55.415 1.085 1 1 829 . 3 1 1 A 73 73 LYS CB C 73 31.600 32.445 -0.845 1 1 833 . 3 1 1 A 73 73 LYS N N 73 120.300 119.630 0.670 1 1 834 . 3 1 1 A 74 74 LEU H H 74 7.910 7.374 0.536 1 1 835 . 3 1 1 A 74 74 LEU HA H 74 4.260 4.495 -0.235 1 1 845 . 3 1 1 A 74 74 LEU CA C 74 55.000 54.497 0.503 1 1 846 . 3 1 1 A 74 74 LEU CB C 74 42.200 39.777 2.423 1 1 850 . 3 1 1 A 74 74 LEU N N 74 120.900 122.372 -1.472 1 1 851 . 3 1 1 A 75 75 ASN H H 75 8.320 8.132 0.188 1 1 852 . 3 1 1 A 75 75 ASN HA H 75 4.710 5.015 -0.305 1 1 857 . 3 1 1 A 75 75 ASN CA C 75 53.000 52.773 0.227 1 1 858 . 3 1 1 A 75 75 ASN CB C 75 38.700 42.738 -4.038 1 1 859 . 3 1 1 A 75 75 ASN N N 75 119.300 122.178 -2.878 1 1 861 . 3 1 1 A 76 76 ILE H H 76 8.010 8.418 -0.408 1 1 862 . 3 1 1 A 76 76 ILE HA H 76 4.180 4.306 -0.126 1 1 872 . 3 1 1 A 76 76 ILE CA C 76 61.000 62.325 -1.325 1 1 873 . 3 1 1 A 76 76 ILE CB C 76 38.700 38.099 0.601 1 1 877 . 3 1 1 A 76 76 ILE N N 76 120.200 124.281 -4.081 1 1 878 . 3 1 1 A 77 77 ASP H H 77 8.390 8.619 -0.229 1 1 879 . 3 1 1 A 77 77 ASP HA H 77 4.660 4.924 -0.264 1 1 882 . 3 1 1 A 77 77 ASP CA C 77 54.200 54.366 -0.166 1 1 883 . 3 1 1 A 77 77 ASP CB C 77 41.100 43.076 -1.976 1 1 884 . 3 1 1 A 77 77 ASP N N 77 123.500 126.549 -3.049 1 1 885 . 3 1 1 A 78 78 THR H H 78 8.010 8.821 -0.811 1 1 886 . 3 1 1 A 78 78 THR HA H 78 4.310 4.573 -0.263 1 1 891 . 3 1 1 A 78 78 THR CA C 78 61.600 62.822 -1.222 1 1 892 . 3 1 1 A 78 78 THR CB C 78 69.700 69.744 -0.044 1 1 894 . 3 1 1 A 78 78 THR N N 78 114.200 120.774 -6.574 1 1 895 . 3 1 1 A 79 79 VAL H H 79 8.090 8.679 -0.589 1 1 896 . 3 1 1 A 79 79 VAL HA H 79 4.390 4.666 -0.276 1 1 904 . 3 1 1 A 79 79 VAL CA C 79 59.900 59.228 0.672 1 1 905 . 3 1 1 A 79 79 VAL CB C 79 32.400 33.321 -0.921 1 1 908 . 3 1 1 A 79 79 VAL N N 79 124.000 127.928 -3.928 1 1 909 . 3 1 1 A 80 80 PRO HA H 80 4.420 4.545 -0.125 1 1 916 . 3 1 1 A 80 80 PRO CA C 80 62.900 62.687 0.213 1 1 917 . 3 1 1 A 80 80 PRO CB C 80 31.900 31.614 0.286 1 1 920 . 3 1 1 A 81 81 ILE H H 81 8.210 8.321 -0.111 1 1 921 . 3 1 1 A 81 81 ILE HA H 81 4.110 4.118 -0.008 1 1 931 . 3 1 1 A 81 81 ILE CA C 81 61.200 61.075 0.125 1 1 932 . 3 1 1 A 81 81 ILE CB C 81 38.600 38.088 0.512 1 1 936 . 3 1 1 A 81 81 ILE N N 81 121.300 123.561 -2.261 1 1 937 . 3 1 1 A 82 82 GLU H H 82 8.510 8.511 -0.001 1 1 938 . 3 1 1 A 82 82 GLU HA H 82 4.300 4.582 -0.282 1 1 943 . 3 1 1 A 82 82 GLU CA C 82 56.300 55.648 0.652 1 1 944 . 3 1 1 A 82 82 GLU CB C 82 30.000 29.169 0.831 1 1 946 . 3 1 1 A 82 82 GLU N N 82 124.600 128.163 -3.563 1 1 947 . 3 1 1 A 83 83 SER H H 83 8.330 8.500 -0.170 1 1 948 . 3 1 1 A 83 83 SER HA H 83 4.400 4.497 -0.097 1 1 951 . 3 1 1 A 83 83 SER CA C 83 58.500 57.659 0.841 1 1 952 . 3 1 1 A 83 83 SER CB C 83 63.600 63.660 -0.060 1 1 953 . 3 1 1 A 83 83 SER N N 83 116.900 121.281 -4.381 1 1 954 . 3 1 1 A 84 84 GLY H H 84 8.400 8.404 -0.004 1 1 955 . 3 1 1 A 84 84 GLY HA2 H 84 3.900 3.919 -0.019 1 1 956 . 3 1 1 A 84 84 GLY HA3 H 84 3.900 4.005 -0.105 1 1 957 . 3 1 1 A 84 84 GLY CA C 84 45.300 46.559 -1.259 1 1 958 . 3 1 1 A 84 84 GLY N N 84 110.400 114.426 -4.026 1 1 959 . 3 1 1 A 85 85 TYR H H 85 8.000 7.648 0.352 1 1 960 . 3 1 1 A 85 85 TYR HA H 85 4.600 5.186 -0.586 1 1 967 . 3 1 1 A 85 85 TYR CA C 85 57.900 56.395 1.505 1 1 968 . 3 1 1 A 85 85 TYR CB C 85 38.700 41.440 -2.740 1 1 971 . 3 1 1 A 85 85 TYR N N 85 120.000 113.573 6.427 1 1 972 . 3 1 1 A 86 86 THR H H 86 8.070 9.113 -1.043 1 1 973 . 3 1 1 A 86 86 THR HA H 86 4.280 5.187 -0.907 1 1 978 . 3 1 1 A 86 86 THR CA C 86 61.600 60.694 0.906 1 1 979 . 3 1 1 A 86 86 THR CB C 86 69.700 70.556 -0.856 1 1 1 . 4 1 1 A 4 4 ASP H H 4 8.270 7.832 0.438 1 1 2 . 4 1 1 A 4 4 ASP HA H 4 4.550 5.008 -0.458 1 1 5 . 4 1 1 A 4 4 ASP CA C 4 54.700 53.289 1.411 1 1 6 . 4 1 1 A 4 4 ASP CB C 4 41.400 43.381 -1.981 1 1 7 . 4 1 1 A 4 4 ASP N N 4 121.200 118.360 2.840 1 1 8 . 4 1 1 A 5 5 LYS HA H 5 4.160 3.890 0.270 1 1 13 . 4 1 1 A 5 5 LYS CA C 5 58.300 60.270 -1.970 1 1 14 . 4 1 1 A 5 5 LYS CB C 5 32.400 32.419 -0.019 1 1 16 . 4 1 1 A 6 6 GLN H H 6 8.170 7.862 0.308 1 1 17 . 4 1 1 A 6 6 GLN HA H 6 4.090 4.036 0.054 1 1 24 . 4 1 1 A 6 6 GLN CA C 6 59.000 59.081 -0.081 1 1 25 . 4 1 1 A 6 6 GLN CB C 6 28.500 28.105 0.395 1 1 27 . 4 1 1 A 6 6 GLN N N 6 117.400 119.782 -2.382 1 1 29 . 4 1 1 A 7 7 LYS H H 7 7.970 8.063 -0.093 1 1 30 . 4 1 1 A 7 7 LYS HA H 7 4.030 4.077 -0.047 1 1 39 . 4 1 1 A 7 7 LYS CA C 7 59.500 59.327 0.173 1 1 40 . 4 1 1 A 7 7 LYS CB C 7 32.500 32.338 0.162 1 1 44 . 4 1 1 A 7 7 LYS N N 7 119.400 119.219 0.181 1 1 45 . 4 1 1 A 8 8 ALA H H 8 7.980 7.830 0.150 1 1 46 . 4 1 1 A 8 8 ALA HA H 8 4.110 4.218 -0.108 1 1 50 . 4 1 1 A 8 8 ALA CA C 8 55.000 54.878 0.122 1 1 51 . 4 1 1 A 8 8 ALA CB C 8 18.100 18.387 -0.287 1 1 52 . 4 1 1 A 8 8 ALA N N 8 123.300 122.158 1.142 1 1 53 . 4 1 1 A 9 9 ILE H H 9 8.070 8.680 -0.610 1 1 54 . 4 1 1 A 9 9 ILE HA H 9 3.760 3.725 0.035 1 1 64 . 4 1 1 A 9 9 ILE CA C 9 63.800 64.386 -0.586 1 1 65 . 4 1 1 A 9 9 ILE CB C 9 38.900 37.574 1.326 1 1 69 . 4 1 1 A 9 9 ILE N N 9 119.200 119.794 -0.594 1 1 70 . 4 1 1 A 10 10 PHE H H 10 8.020 8.254 -0.234 1 1 71 . 4 1 1 A 10 10 PHE HA H 10 4.720 4.344 0.376 1 1 79 . 4 1 1 A 10 10 PHE CA C 10 60.400 62.020 -1.620 1 1 80 . 4 1 1 A 10 10 PHE CB C 10 39.400 39.095 0.305 1 1 84 . 4 1 1 A 10 10 PHE N N 10 118.900 121.280 -2.380 1 1 85 . 4 1 1 A 11 11 SER H H 11 8.420 8.207 0.213 1 1 86 . 4 1 1 A 11 11 SER HA H 11 3.890 3.961 -0.071 1 1 89 . 4 1 1 A 11 11 SER CA C 11 62.000 61.550 0.450 1 1 90 . 4 1 1 A 11 11 SER CB C 11 62.800 62.472 0.328 1 1 91 . 4 1 1 A 11 11 SER N N 11 112.700 113.559 -0.859 1 1 92 . 4 1 1 A 12 12 GLU H H 12 8.050 8.451 -0.401 1 1 93 . 4 1 1 A 12 12 GLU HA H 12 4.130 3.964 0.166 1 1 98 . 4 1 1 A 12 12 GLU CA C 12 59.400 59.334 0.066 1 1 99 . 4 1 1 A 12 12 GLU CB C 12 29.100 29.039 0.061 1 1 101 . 4 1 1 A 12 12 GLU N N 12 123.000 122.126 0.874 1 1 102 . 4 1 1 A 13 13 ASN H H 13 8.390 8.753 -0.363 1 1 103 . 4 1 1 A 13 13 ASN HA H 13 4.470 4.231 0.239 1 1 108 . 4 1 1 A 13 13 ASN CA C 13 55.700 56.184 -0.484 1 1 109 . 4 1 1 A 13 13 ASN CB C 13 37.900 38.392 -0.492 1 1 110 . 4 1 1 A 13 13 ASN N N 13 119.100 119.785 -0.685 1 1 112 . 4 1 1 A 14 14 LEU H H 14 9.170 8.022 1.148 1 1 113 . 4 1 1 A 14 14 LEU HA H 14 3.860 3.977 -0.117 1 1 123 . 4 1 1 A 14 14 LEU CA C 14 58.800 58.143 0.657 1 1 124 . 4 1 1 A 14 14 LEU CB C 14 41.100 40.873 0.227 1 1 128 . 4 1 1 A 14 14 LEU N N 14 122.200 121.286 0.914 1 1 129 . 4 1 1 A 15 15 ASN H H 15 8.700 8.391 0.309 1 1 130 . 4 1 1 A 15 15 ASN HA H 15 4.520 4.398 0.122 1 1 135 . 4 1 1 A 15 15 ASN CA C 15 56.600 56.258 0.342 1 1 136 . 4 1 1 A 15 15 ASN CB C 15 37.900 37.677 0.223 1 1 137 . 4 1 1 A 15 15 ASN N N 15 115.400 117.079 -1.679 1 1 139 . 4 1 1 A 16 16 SER H H 16 7.860 7.679 0.181 1 1 140 . 4 1 1 A 16 16 SER HA H 16 4.250 3.973 0.277 1 1 143 . 4 1 1 A 16 16 SER CA C 16 61.400 62.136 -0.736 1 1 144 . 4 1 1 A 16 16 SER CB C 16 62.100 62.364 -0.264 1 1 145 . 4 1 1 A 16 16 SER N N 16 117.600 116.439 1.161 1 1 146 . 4 1 1 A 17 17 TYR H H 17 7.740 6.900 0.840 1 1 147 . 4 1 1 A 17 17 TYR HA H 17 3.900 4.292 -0.392 1 1 154 . 4 1 1 A 17 17 TYR CA C 17 63.500 61.017 2.483 1 1 155 . 4 1 1 A 17 17 TYR CB C 17 35.600 37.771 -2.171 1 1 158 . 4 1 1 A 17 17 TYR N N 17 120.700 119.230 1.470 1 1 159 . 4 1 1 A 18 18 ILE H H 18 8.660 7.800 0.860 1 1 160 . 4 1 1 A 18 18 ILE HA H 18 3.710 3.979 -0.269 1 1 170 . 4 1 1 A 18 18 ILE CA C 18 66.400 64.794 1.606 1 1 171 . 4 1 1 A 18 18 ILE CB C 18 38.300 38.011 0.289 1 1 175 . 4 1 1 A 18 18 ILE N N 18 121.800 120.658 1.142 1 1 176 . 4 1 1 A 19 19 ALA H H 19 8.010 8.400 -0.390 1 1 177 . 4 1 1 A 19 19 ALA HA H 19 4.220 4.139 0.081 1 1 181 . 4 1 1 A 19 19 ALA CA C 19 55.000 54.766 0.234 1 1 182 . 4 1 1 A 19 19 ALA CB C 19 17.800 18.171 -0.371 1 1 183 . 4 1 1 A 19 19 ALA N N 19 121.900 122.078 -0.178 1 1 184 . 4 1 1 A 20 20 LYS H H 20 7.650 7.625 0.025 1 1 185 . 4 1 1 A 20 20 LYS HA H 20 4.200 4.064 0.136 1 1 194 . 4 1 1 A 20 20 LYS CA C 20 57.900 59.022 -1.122 1 1 195 . 4 1 1 A 20 20 LYS CB C 20 33.000 32.704 0.296 1 1 199 . 4 1 1 A 20 20 LYS N N 20 116.500 118.612 -2.112 1 1 200 . 4 1 1 A 21 21 SER H H 21 8.000 7.949 0.051 1 1 201 . 4 1 1 A 21 21 SER HA H 21 4.460 4.530 -0.070 1 1 204 . 4 1 1 A 21 21 SER CA C 21 60.100 58.560 1.540 1 1 205 . 4 1 1 A 21 21 SER CB C 21 64.700 64.721 -0.021 1 1 206 . 4 1 1 A 21 21 SER N N 21 114.400 114.456 -0.056 1 1 207 . 4 1 1 A 22 22 GLU H H 22 7.970 8.915 -0.945 1 1 208 . 4 1 1 A 22 22 GLU HA H 22 4.140 4.404 -0.264 1 1 213 . 4 1 1 A 22 22 GLU CA C 22 57.900 57.532 0.368 1 1 214 . 4 1 1 A 22 22 GLU CB C 22 27.700 30.924 -3.224 1 1 216 . 4 1 1 A 22 22 GLU N N 22 116.000 123.183 -7.183 1 1 217 . 4 1 1 A 23 23 LYS H H 23 8.070 7.657 0.413 1 1 218 . 4 1 1 A 23 23 LYS HA H 23 4.730 4.321 0.409 1 1 227 . 4 1 1 A 23 23 LYS CA C 23 53.800 56.331 -2.531 1 1 228 . 4 1 1 A 23 23 LYS CB C 23 34.300 33.178 1.122 1 1 232 . 4 1 1 A 23 23 LYS N N 23 119.500 119.684 -0.184 1 1 233 . 4 1 1 A 24 24 THR H H 24 8.690 8.618 0.072 1 1 234 . 4 1 1 A 24 24 THR HA H 24 4.460 4.579 -0.119 1 1 239 . 4 1 1 A 24 24 THR CA C 24 60.200 60.825 -0.625 1 1 240 . 4 1 1 A 24 24 THR CB C 24 71.200 70.949 0.251 1 1 242 . 4 1 1 A 24 24 THR N N 24 109.900 115.514 -5.614 1 1 243 . 4 1 1 A 25 25 GLN H H 25 8.840 8.953 -0.113 1 1 244 . 4 1 1 A 25 25 GLN HA H 25 3.640 3.656 -0.016 1 1 251 . 4 1 1 A 25 25 GLN CA C 25 59.900 58.919 0.981 1 1 252 . 4 1 1 A 25 25 GLN CB C 25 28.300 28.230 0.070 1 1 254 . 4 1 1 A 25 25 GLN N N 25 118.500 121.078 -2.578 1 1 256 . 4 1 1 A 26 26 LEU H H 26 7.690 7.950 -0.260 1 1 257 . 4 1 1 A 26 26 LEU HA H 26 3.790 3.869 -0.079 1 1 267 . 4 1 1 A 26 26 LEU CA C 26 57.900 57.796 0.104 1 1 268 . 4 1 1 A 26 26 LEU CB C 26 41.800 41.564 0.236 1 1 272 . 4 1 1 A 26 26 LEU N N 26 116.000 121.278 -5.278 1 1 273 . 4 1 1 A 27 27 GLU H H 27 7.540 7.783 -0.243 1 1 274 . 4 1 1 A 27 27 GLU HA H 27 3.880 3.953 -0.073 1 1 279 . 4 1 1 A 27 27 GLU CA C 27 58.800 59.308 -0.508 1 1 280 . 4 1 1 A 27 27 GLU CB C 27 29.500 29.493 0.007 1 1 282 . 4 1 1 A 27 27 GLU N N 27 118.200 118.173 0.027 1 1 283 . 4 1 1 A 28 28 ILE H H 28 7.710 7.938 -0.228 1 1 284 . 4 1 1 A 28 28 ILE HA H 28 2.970 2.995 -0.025 1 1 294 . 4 1 1 A 28 28 ILE CA C 28 65.100 65.426 -0.326 1 1 295 . 4 1 1 A 28 28 ILE CB C 28 37.400 37.747 -0.347 1 1 299 . 4 1 1 A 28 28 ILE N N 28 121.400 120.376 1.024 1 1 300 . 4 1 1 A 29 29 ALA H H 29 7.690 8.236 -0.546 1 1 301 . 4 1 1 A 29 29 ALA HA H 29 3.230 3.920 -0.690 1 1 305 . 4 1 1 A 29 29 ALA CA C 29 55.300 55.509 -0.209 1 1 306 . 4 1 1 A 29 29 ALA CB C 29 16.300 17.918 -1.618 1 1 307 . 4 1 1 A 29 29 ALA N N 29 120.500 121.392 -0.892 1 1 308 . 4 1 1 A 30 30 LYS H H 30 7.580 7.906 -0.326 1 1 309 . 4 1 1 A 30 30 LYS HA H 30 4.050 3.922 0.128 1 1 318 . 4 1 1 A 30 30 LYS CA C 30 58.800 59.245 -0.445 1 1 319 . 4 1 1 A 30 30 LYS CB C 30 32.000 32.433 -0.433 1 1 323 . 4 1 1 A 30 30 LYS N N 30 114.800 119.109 -4.309 1 1 324 . 4 1 1 A 31 31 SER H H 31 7.680 7.690 -0.010 1 1 325 . 4 1 1 A 31 31 SER HA H 31 4.220 4.340 -0.120 1 1 328 . 4 1 1 A 31 31 SER CA C 31 62.300 61.776 0.524 1 1 329 . 4 1 1 A 31 31 SER CB C 31 63.300 63.179 0.121 1 1 330 . 4 1 1 A 31 31 SER N N 31 115.800 116.863 -1.063 1 1 331 . 4 1 1 A 32 32 ILE H H 32 7.800 7.565 0.235 1 1 332 . 4 1 1 A 32 32 ILE HA H 32 4.400 3.976 0.424 1 1 342 . 4 1 1 A 32 32 ILE CA C 32 60.300 63.024 -2.724 1 1 343 . 4 1 1 A 32 32 ILE CB C 32 37.500 38.708 -1.208 1 1 347 . 4 1 1 A 32 32 ILE N N 32 113.800 117.674 -3.874 1 1 348 . 4 1 1 A 33 33 GLY H H 33 7.880 8.366 -0.486 1 1 349 . 4 1 1 A 33 33 GLY HA2 H 33 3.890 4.035 -0.145 1 1 350 . 4 1 1 A 33 33 GLY HA3 H 33 4.040 4.054 -0.014 1 1 351 . 4 1 1 A 33 33 GLY CA C 33 46.800 45.311 1.489 1 1 352 . 4 1 1 A 33 33 GLY N N 33 110.500 108.528 1.972 1 1 353 . 4 1 1 A 34 34 VAL H H 34 7.910 7.631 0.279 1 1 354 . 4 1 1 A 34 34 VAL HA H 34 4.720 4.845 -0.125 1 1 362 . 4 1 1 A 34 34 VAL CA C 34 58.700 58.993 -0.293 1 1 363 . 4 1 1 A 34 34 VAL CB C 34 35.500 35.805 -0.305 1 1 366 . 4 1 1 A 34 34 VAL N N 34 113.500 115.658 -2.158 1 1 367 . 4 1 1 A 35 35 SER H H 35 8.650 8.593 0.057 1 1 368 . 4 1 1 A 35 35 SER HA H 35 4.580 4.744 -0.164 1 1 371 . 4 1 1 A 35 35 SER CA C 35 55.900 56.866 -0.966 1 1 372 . 4 1 1 A 35 35 SER CB C 35 62.800 63.060 -0.260 1 1 373 . 4 1 1 A 35 35 SER N N 35 118.400 117.547 0.853 1 1 374 . 4 1 1 A 36 36 PRO HA H 36 3.950 4.261 -0.311 1 1 381 . 4 1 1 A 36 36 PRO CA C 36 65.100 64.961 0.139 1 1 382 . 4 1 1 A 36 36 PRO CB C 36 31.500 31.962 -0.462 1 1 385 . 4 1 1 A 37 37 GLN H H 37 8.300 8.212 0.088 1 1 386 . 4 1 1 A 37 37 GLN HA H 37 4.030 4.049 -0.019 1 1 393 . 4 1 1 A 37 37 GLN CA C 37 59.400 58.846 0.554 1 1 394 . 4 1 1 A 37 37 GLN CB C 37 27.400 28.487 -1.087 1 1 396 . 4 1 1 A 37 37 GLN N N 37 117.300 117.505 -0.205 1 1 398 . 4 1 1 A 38 38 THR H H 38 7.790 7.608 0.182 1 1 399 . 4 1 1 A 38 38 THR HA H 38 3.590 3.792 -0.202 1 1 404 . 4 1 1 A 38 38 THR CA C 38 66.000 65.986 0.014 1 1 405 . 4 1 1 A 38 38 THR CB C 38 67.900 67.997 -0.097 1 1 407 . 4 1 1 A 38 38 THR N N 38 119.500 116.531 2.969 1 1 408 . 4 1 1 A 39 39 PHE H H 39 8.150 7.591 0.559 1 1 409 . 4 1 1 A 39 39 PHE HA H 39 2.690 3.706 -1.016 1 1 417 . 4 1 1 A 39 39 PHE CA C 39 60.700 61.064 -0.364 1 1 418 . 4 1 1 A 39 39 PHE CB C 39 39.500 39.060 0.440 1 1 422 . 4 1 1 A 39 39 PHE N N 39 123.200 122.079 1.121 1 1 423 . 4 1 1 A 40 40 ASN H H 40 8.270 8.604 -0.334 1 1 424 . 4 1 1 A 40 40 ASN HA H 40 4.410 4.567 -0.157 1 1 429 . 4 1 1 A 40 40 ASN CA C 40 56.800 56.508 0.292 1 1 430 . 4 1 1 A 40 40 ASN CB C 40 38.700 38.702 -0.002 1 1 431 . 4 1 1 A 40 40 ASN N N 40 115.400 116.919 -1.519 1 1 433 . 4 1 1 A 41 41 THR H H 41 7.520 7.774 -0.254 1 1 434 . 4 1 1 A 41 41 THR HA H 41 4.010 4.121 -0.111 1 1 439 . 4 1 1 A 41 41 THR CA C 41 66.000 64.923 1.077 1 1 440 . 4 1 1 A 41 41 THR CB C 41 69.100 68.605 0.495 1 1 442 . 4 1 1 A 41 41 THR N N 41 109.700 113.437 -3.737 1 1 443 . 4 1 1 A 42 42 TRP H H 42 7.190 6.869 0.321 1 1 444 . 4 1 1 A 42 42 TRP HA H 42 5.420 4.553 0.867 1 1 453 . 4 1 1 A 42 42 TRP CA C 42 56.300 59.519 -3.219 1 1 454 . 4 1 1 A 42 42 TRP CB C 42 28.400 29.687 -1.287 1 1 460 . 4 1 1 A 42 42 TRP N N 42 124.000 121.229 2.771 1 1 462 . 4 1 1 A 43 43 CYS H H 43 7.610 8.103 -0.493 1 1 463 . 4 1 1 A 43 43 CYS HA H 43 4.090 4.269 -0.179 1 1 466 . 4 1 1 A 43 43 CYS CA C 43 62.600 62.315 0.285 1 1 467 . 4 1 1 A 43 43 CYS CB C 43 27.600 27.424 0.176 1 1 468 . 4 1 1 A 43 43 CYS N N 43 117.200 119.608 -2.408 1 1 469 . 4 1 1 A 44 44 LYS H H 44 7.870 7.740 0.130 1 1 470 . 4 1 1 A 44 44 LYS HA H 44 4.410 4.382 0.028 1 1 479 . 4 1 1 A 44 44 LYS CA C 44 55.500 56.011 -0.511 1 1 480 . 4 1 1 A 44 44 LYS CB C 44 33.100 32.656 0.444 1 1 484 . 4 1 1 A 44 44 LYS N N 44 115.700 118.265 -2.565 1 1 485 . 4 1 1 A 45 45 GLY H H 45 7.800 8.022 -0.222 1 1 486 . 4 1 1 A 45 45 GLY HA2 H 45 3.980 3.984 -0.004 1 1 487 . 4 1 1 A 45 45 GLY HA3 H 45 4.200 4.058 0.142 1 1 488 . 4 1 1 A 45 45 GLY CA C 45 46.100 46.814 -0.714 1 1 489 . 4 1 1 A 45 45 GLY N N 45 107.200 107.737 -0.537 1 1 490 . 4 1 1 A 46 46 ILE H H 46 7.890 8.212 -0.322 1 1 491 . 4 1 1 A 46 46 ILE HA H 46 4.110 3.968 0.142 1 1 501 . 4 1 1 A 46 46 ILE CA C 46 61.600 63.817 -2.217 1 1 502 . 4 1 1 A 46 46 ILE CB C 46 39.100 38.171 0.929 1 1 506 . 4 1 1 A 46 46 ILE N N 46 115.700 118.341 -2.641 1 1 507 . 4 1 1 A 47 47 ALA H H 47 7.540 7.365 0.175 1 1 508 . 4 1 1 A 47 47 ALA HA H 47 4.590 4.701 -0.111 1 1 512 . 4 1 1 A 47 47 ALA CA C 47 50.700 51.057 -0.357 1 1 513 . 4 1 1 A 47 47 ALA CB C 47 22.600 22.806 -0.206 1 1 514 . 4 1 1 A 47 47 ALA N N 47 121.600 119.542 2.058 1 1 515 . 4 1 1 A 48 48 ILE H H 48 8.260 8.635 -0.375 1 1 516 . 4 1 1 A 48 48 ILE HA H 48 4.080 4.250 -0.170 1 1 526 . 4 1 1 A 48 48 ILE CA C 48 56.600 57.641 -1.041 1 1 527 . 4 1 1 A 48 48 ILE CB C 48 40.800 37.933 2.867 1 1 531 . 4 1 1 A 48 48 ILE N N 48 118.900 121.455 -2.555 1 1 532 . 4 1 1 A 49 49 PRO HA H 49 4.230 4.414 -0.184 1 1 539 . 4 1 1 A 49 49 PRO CA C 49 61.300 62.515 -1.215 1 1 540 . 4 1 1 A 49 49 PRO CB C 49 31.900 31.128 0.772 1 1 543 . 4 1 1 A 50 50 ARG H H 50 8.130 8.586 -0.456 1 1 544 . 4 1 1 A 50 50 ARG HA H 50 4.170 4.324 -0.154 1 1 551 . 4 1 1 A 50 50 ARG CA C 50 55.600 56.121 -0.521 1 1 552 . 4 1 1 A 50 50 ARG CB C 50 30.500 30.959 -0.459 1 1 555 . 4 1 1 A 50 50 ARG N N 50 115.900 121.469 -5.569 1 1 556 . 4 1 1 A 51 51 MET H H 51 8.680 8.906 -0.226 1 1 557 . 4 1 1 A 51 51 MET HA H 51 4.120 4.088 0.032 1 1 565 . 4 1 1 A 51 51 MET CA C 51 57.700 57.924 -0.224 1 1 566 . 4 1 1 A 51 51 MET CB C 51 31.200 32.142 -0.942 1 1 569 . 4 1 1 A 51 51 MET N N 51 120.000 121.502 -1.502 1 1 570 . 4 1 1 A 52 52 GLY HA2 H 52 4.000 3.793 0.207 1 1 571 . 4 1 1 A 52 52 GLY HA3 H 52 3.920 3.796 0.124 1 1 572 . 4 1 1 A 52 52 GLY CA C 52 46.800 46.917 -0.117 1 1 573 . 4 1 1 A 53 53 LYS H H 53 7.520 7.996 -0.476 1 1 574 . 4 1 1 A 53 53 LYS HA H 53 4.450 4.187 0.263 1 1 583 . 4 1 1 A 53 53 LYS CA C 53 56.200 58.893 -2.693 1 1 584 . 4 1 1 A 53 53 LYS CB C 53 32.200 32.229 -0.029 1 1 588 . 4 1 1 A 53 53 LYS N N 53 119.900 121.915 -2.015 1 1 589 . 4 1 1 A 54 54 VAL H H 54 7.650 7.861 -0.211 1 1 590 . 4 1 1 A 54 54 VAL HA H 54 3.420 3.473 -0.053 1 1 598 . 4 1 1 A 54 54 VAL CA C 54 67.600 66.877 0.723 1 1 599 . 4 1 1 A 54 54 VAL CB C 54 30.600 31.303 -0.703 1 1 602 . 4 1 1 A 54 54 VAL N N 54 121.300 120.519 0.781 1 1 603 . 4 1 1 A 55 55 GLN H H 55 8.460 8.047 0.413 1 1 604 . 4 1 1 A 55 55 GLN HA H 55 3.790 4.028 -0.238 1 1 611 . 4 1 1 A 55 55 GLN CA C 55 58.000 58.904 -0.904 1 1 612 . 4 1 1 A 55 55 GLN CB C 55 28.200 28.435 -0.235 1 1 614 . 4 1 1 A 55 55 GLN N N 55 118.100 118.419 -0.319 1 1 616 . 4 1 1 A 56 56 ALA H H 56 7.550 7.883 -0.333 1 1 617 . 4 1 1 A 56 56 ALA HA H 56 4.310 4.164 0.146 1 1 621 . 4 1 1 A 56 56 ALA CA C 56 55.100 55.130 -0.030 1 1 622 . 4 1 1 A 56 56 ALA CB C 56 18.100 18.276 -0.176 1 1 623 . 4 1 1 A 56 56 ALA N N 56 120.300 122.797 -2.497 1 1 624 . 4 1 1 A 57 57 LEU H H 57 8.170 7.963 0.207 1 1 625 . 4 1 1 A 57 57 LEU HA H 57 3.950 4.081 -0.131 1 1 635 . 4 1 1 A 57 57 LEU CA C 57 57.500 58.218 -0.718 1 1 636 . 4 1 1 A 57 57 LEU CB C 57 43.500 41.966 1.534 1 1 640 . 4 1 1 A 57 57 LEU N N 57 120.100 118.938 1.162 1 1 641 . 4 1 1 A 58 58 ALA H H 58 8.430 8.887 -0.457 1 1 642 . 4 1 1 A 58 58 ALA HA H 58 3.820 4.146 -0.326 1 1 646 . 4 1 1 A 58 58 ALA CA C 58 54.600 55.259 -0.659 1 1 647 . 4 1 1 A 58 58 ALA CB C 58 16.400 17.955 -1.555 1 1 648 . 4 1 1 A 58 58 ALA N N 58 122.600 121.316 1.284 1 1 649 . 4 1 1 A 59 59 ASP H H 59 8.790 8.268 0.522 1 1 650 . 4 1 1 A 59 59 ASP HA H 59 4.440 4.410 0.030 1 1 653 . 4 1 1 A 59 59 ASP CA C 59 57.000 57.397 -0.397 1 1 654 . 4 1 1 A 59 59 ASP CB C 59 39.800 40.950 -1.150 1 1 655 . 4 1 1 A 59 59 ASP N N 59 117.900 119.588 -1.688 1 1 656 . 4 1 1 A 60 60 TYR H H 60 8.050 8.028 0.022 1 1 657 . 4 1 1 A 60 60 TYR HA H 60 3.820 4.212 -0.392 1 1 664 . 4 1 1 A 60 60 TYR CA C 60 62.000 61.433 0.567 1 1 665 . 4 1 1 A 60 60 TYR CB C 60 38.200 38.306 -0.106 1 1 668 . 4 1 1 A 60 60 TYR N N 60 122.300 120.735 1.565 1 1 669 . 4 1 1 A 61 61 PHE H H 61 7.860 7.609 0.251 1 1 670 . 4 1 1 A 61 61 PHE HA H 61 4.530 4.574 -0.044 1 1 678 . 4 1 1 A 61 61 PHE CA C 61 58.000 57.826 0.174 1 1 679 . 4 1 1 A 61 61 PHE CB C 61 39.800 39.284 0.516 1 1 683 . 4 1 1 A 61 61 PHE N N 61 114.100 115.148 -1.048 1 1 684 . 4 1 1 A 62 62 ASN H H 62 8.040 8.017 0.023 1 1 685 . 4 1 1 A 62 62 ASN HA H 62 4.420 4.341 0.079 1 1 690 . 4 1 1 A 62 62 ASN CA C 62 54.200 54.044 0.156 1 1 691 . 4 1 1 A 62 62 ASN CB C 62 36.800 37.224 -0.424 1 1 692 . 4 1 1 A 62 62 ASN N N 62 118.100 117.477 0.623 1 1 694 . 4 1 1 A 63 63 ILE H H 63 8.360 8.050 0.310 1 1 695 . 4 1 1 A 63 63 ILE HA H 63 4.710 4.804 -0.094 1 1 705 . 4 1 1 A 63 63 ILE CA C 63 59.600 58.331 1.269 1 1 706 . 4 1 1 A 63 63 ILE CB C 63 39.700 41.687 -1.987 1 1 710 . 4 1 1 A 63 63 ILE N N 63 112.700 113.837 -1.137 1 1 711 . 4 1 1 A 64 64 ASN H H 64 8.860 9.125 -0.265 1 1 712 . 4 1 1 A 64 64 ASN HA H 64 4.990 5.131 -0.141 1 1 717 . 4 1 1 A 64 64 ASN CA C 64 52.100 52.086 0.014 1 1 718 . 4 1 1 A 64 64 ASN CB C 64 40.600 40.587 0.013 1 1 719 . 4 1 1 A 64 64 ASN N N 64 117.400 121.262 -3.862 1 1 721 . 4 1 1 A 65 65 LYS H H 65 9.250 8.842 0.408 1 1 722 . 4 1 1 A 65 65 LYS HA H 65 3.720 4.067 -0.347 1 1 731 . 4 1 1 A 65 65 LYS CA C 65 60.900 58.893 2.007 1 1 732 . 4 1 1 A 65 65 LYS CB C 65 31.200 31.991 -0.791 1 1 736 . 4 1 1 A 65 65 LYS N N 65 123.200 123.434 -0.234 1 1 737 . 4 1 1 A 66 66 SER H H 66 8.700 8.350 0.350 1 1 738 . 4 1 1 A 66 66 SER HA H 66 4.050 4.205 -0.155 1 1 741 . 4 1 1 A 66 66 SER CA C 66 61.200 61.280 -0.080 1 1 742 . 4 1 1 A 66 66 SER CB C 66 62.200 62.409 -0.209 1 1 743 . 4 1 1 A 66 66 SER N N 66 114.300 115.041 -0.741 1 1 744 . 4 1 1 A 67 67 ASP H H 67 7.510 8.114 -0.604 1 1 745 . 4 1 1 A 67 67 ASP HA H 67 4.500 4.455 0.045 1 1 748 . 4 1 1 A 67 67 ASP CA C 67 56.700 56.929 -0.229 1 1 749 . 4 1 1 A 67 67 ASP CB C 67 41.000 40.213 0.787 1 1 750 . 4 1 1 A 67 67 ASP N N 67 119.800 121.910 -2.110 1 1 751 . 4 1 1 A 68 68 LEU H H 68 7.440 7.332 0.108 1 1 752 . 4 1 1 A 68 68 LEU HA H 68 4.500 4.347 0.153 1 1 762 . 4 1 1 A 68 68 LEU CA C 68 55.700 56.799 -1.099 1 1 763 . 4 1 1 A 68 68 LEU CB C 68 43.500 42.201 1.299 1 1 767 . 4 1 1 A 68 68 LEU N N 68 113.800 117.779 -3.979 1 1 768 . 4 1 1 A 69 69 ILE H H 69 7.500 7.184 0.316 1 1 769 . 4 1 1 A 69 69 ILE HA H 69 4.390 4.252 0.138 1 1 779 . 4 1 1 A 69 69 ILE CA C 69 61.700 63.759 -2.059 1 1 780 . 4 1 1 A 69 69 ILE CB C 69 39.600 38.967 0.633 1 1 784 . 4 1 1 A 69 69 ILE N N 69 112.800 117.244 -4.444 1 1 785 . 4 1 1 A 70 70 GLU H H 70 7.680 8.084 -0.404 1 1 786 . 4 1 1 A 70 70 GLU HA H 70 4.500 4.455 0.045 1 1 791 . 4 1 1 A 70 70 GLU CA C 70 55.200 56.607 -1.407 1 1 792 . 4 1 1 A 70 70 GLU CB C 70 30.800 30.602 0.198 1 1 794 . 4 1 1 A 70 70 GLU N N 70 118.300 120.182 -1.882 1 1 795 . 4 1 1 A 71 71 ASP H H 71 8.660 8.559 0.101 1 1 796 . 4 1 1 A 71 71 ASP HA H 71 4.640 4.729 -0.089 1 1 799 . 4 1 1 A 71 71 ASP CA C 71 53.400 54.495 -1.095 1 1 800 . 4 1 1 A 71 71 ASP CB C 71 40.800 41.972 -1.172 1 1 801 . 4 1 1 A 71 71 ASP N N 71 121.100 122.098 -0.998 1 1 802 . 4 1 1 A 72 72 LYS H H 72 8.980 8.951 0.029 1 1 803 . 4 1 1 A 72 72 LYS HA H 72 4.270 4.488 -0.218 1 1 812 . 4 1 1 A 72 72 LYS CA C 72 56.400 56.378 0.022 1 1 813 . 4 1 1 A 72 72 LYS CB C 72 32.400 32.758 -0.358 1 1 817 . 4 1 1 A 72 72 LYS N N 72 126.200 126.220 -0.020 1 1 818 . 4 1 1 A 73 73 LYS H H 73 8.460 7.837 0.623 1 1 819 . 4 1 1 A 73 73 LYS HA H 73 4.180 4.212 -0.032 1 1 828 . 4 1 1 A 73 73 LYS CA C 73 56.500 57.329 -0.829 1 1 829 . 4 1 1 A 73 73 LYS CB C 73 31.600 32.355 -0.755 1 1 833 . 4 1 1 A 73 73 LYS N N 73 120.300 119.622 0.678 1 1 834 . 4 1 1 A 74 74 LEU H H 74 7.910 7.661 0.249 1 1 835 . 4 1 1 A 74 74 LEU HA H 74 4.260 4.354 -0.094 1 1 845 . 4 1 1 A 74 74 LEU CA C 74 55.000 54.872 0.128 1 1 846 . 4 1 1 A 74 74 LEU CB C 74 42.200 41.929 0.271 1 1 850 . 4 1 1 A 74 74 LEU N N 74 120.900 118.571 2.329 1 1 851 . 4 1 1 A 75 75 ASN H H 75 8.320 8.151 0.169 1 1 852 . 4 1 1 A 75 75 ASN HA H 75 4.710 4.412 0.298 1 1 857 . 4 1 1 A 75 75 ASN CA C 75 53.000 53.940 -0.940 1 1 858 . 4 1 1 A 75 75 ASN CB C 75 38.700 36.935 1.765 1 1 859 . 4 1 1 A 75 75 ASN N N 75 119.300 117.135 2.165 1 1 861 . 4 1 1 A 76 76 ILE H H 76 8.010 8.246 -0.236 1 1 862 . 4 1 1 A 76 76 ILE HA H 76 4.180 4.544 -0.364 1 1 872 . 4 1 1 A 76 76 ILE CA C 76 61.000 60.112 0.888 1 1 873 . 4 1 1 A 76 76 ILE CB C 76 38.700 40.398 -1.698 1 1 877 . 4 1 1 A 76 76 ILE N N 76 120.200 122.012 -1.812 1 1 878 . 4 1 1 A 77 77 ASP H H 77 8.390 8.688 -0.298 1 1 879 . 4 1 1 A 77 77 ASP HA H 77 4.660 4.833 -0.173 1 1 882 . 4 1 1 A 77 77 ASP CA C 77 54.200 53.393 0.807 1 1 883 . 4 1 1 A 77 77 ASP CB C 77 41.100 40.160 0.940 1 1 884 . 4 1 1 A 77 77 ASP N N 77 123.500 127.721 -4.221 1 1 885 . 4 1 1 A 78 78 THR H H 78 8.010 8.388 -0.378 1 1 886 . 4 1 1 A 78 78 THR HA H 78 4.310 5.020 -0.710 1 1 891 . 4 1 1 A 78 78 THR CA C 78 61.600 59.200 2.400 1 1 892 . 4 1 1 A 78 78 THR CB C 78 69.700 72.008 -2.308 1 1 894 . 4 1 1 A 78 78 THR N N 78 114.200 120.164 -5.964 1 1 895 . 4 1 1 A 79 79 VAL H H 79 8.090 8.979 -0.889 1 1 896 . 4 1 1 A 79 79 VAL HA H 79 4.390 4.703 -0.313 1 1 904 . 4 1 1 A 79 79 VAL CA C 79 59.900 59.244 0.656 1 1 905 . 4 1 1 A 79 79 VAL CB C 79 32.400 32.692 -0.292 1 1 908 . 4 1 1 A 79 79 VAL N N 79 124.000 123.926 0.074 1 1 909 . 4 1 1 A 80 80 PRO HA H 80 4.420 4.728 -0.308 1 1 916 . 4 1 1 A 80 80 PRO CA C 80 62.900 62.250 0.650 1 1 917 . 4 1 1 A 80 80 PRO CB C 80 31.900 33.111 -1.211 1 1 920 . 4 1 1 A 81 81 ILE H H 81 8.210 8.510 -0.300 1 1 921 . 4 1 1 A 81 81 ILE HA H 81 4.110 4.801 -0.691 1 1 931 . 4 1 1 A 81 81 ILE CA C 81 61.200 59.154 2.046 1 1 932 . 4 1 1 A 81 81 ILE CB C 81 38.600 42.015 -3.415 1 1 936 . 4 1 1 A 81 81 ILE N N 81 121.300 120.894 0.406 1 1 937 . 4 1 1 A 82 82 GLU H H 82 8.510 9.074 -0.564 1 1 938 . 4 1 1 A 82 82 GLU HA H 82 4.300 4.904 -0.604 1 1 943 . 4 1 1 A 82 82 GLU CA C 82 56.300 54.890 1.410 1 1 944 . 4 1 1 A 82 82 GLU CB C 82 30.000 31.563 -1.563 1 1 946 . 4 1 1 A 82 82 GLU N N 82 124.600 128.209 -3.609 1 1 947 . 4 1 1 A 83 83 SER H H 83 8.330 9.037 -0.707 1 1 948 . 4 1 1 A 83 83 SER HA H 83 4.400 4.409 -0.009 1 1 951 . 4 1 1 A 83 83 SER CA C 83 58.500 58.653 -0.153 1 1 952 . 4 1 1 A 83 83 SER CB C 83 63.600 63.902 -0.302 1 1 953 . 4 1 1 A 83 83 SER N N 83 116.900 121.422 -4.522 1 1 954 . 4 1 1 A 84 84 GLY H H 84 8.400 8.312 0.088 1 1 955 . 4 1 1 A 84 84 GLY HA2 H 84 3.900 4.104 -0.204 1 1 956 . 4 1 1 A 84 84 GLY HA3 H 84 3.900 4.143 -0.243 1 1 957 . 4 1 1 A 84 84 GLY CA C 84 45.300 46.349 -1.049 1 1 958 . 4 1 1 A 84 84 GLY N N 84 110.400 112.345 -1.945 1 1 959 . 4 1 1 A 85 85 TYR H H 85 8.000 7.693 0.307 1 1 960 . 4 1 1 A 85 85 TYR HA H 85 4.600 4.971 -0.371 1 1 967 . 4 1 1 A 85 85 TYR CA C 85 57.900 56.524 1.376 1 1 968 . 4 1 1 A 85 85 TYR CB C 85 38.700 40.315 -1.615 1 1 971 . 4 1 1 A 85 85 TYR N N 85 120.000 113.923 6.077 1 1 972 . 4 1 1 A 86 86 THR H H 86 8.070 8.883 -0.813 1 1 973 . 4 1 1 A 86 86 THR HA H 86 4.280 5.061 -0.781 1 1 978 . 4 1 1 A 86 86 THR CA C 86 61.600 61.383 0.217 1 1 979 . 4 1 1 A 86 86 THR CB C 86 69.700 71.249 -1.549 1 1 1 . 5 1 1 A 4 4 ASP H H 4 8.270 8.232 0.038 1 1 2 . 5 1 1 A 4 4 ASP HA H 4 4.550 4.687 -0.137 1 1 5 . 5 1 1 A 4 4 ASP CA C 4 54.700 53.812 0.888 1 1 6 . 5 1 1 A 4 4 ASP CB C 4 41.400 41.840 -0.440 1 1 7 . 5 1 1 A 4 4 ASP N N 4 121.200 118.462 2.738 1 1 8 . 5 1 1 A 5 5 LYS HA H 5 4.160 4.016 0.144 1 1 13 . 5 1 1 A 5 5 LYS CA C 5 58.300 59.475 -1.175 1 1 14 . 5 1 1 A 5 5 LYS CB C 5 32.400 32.070 0.330 1 1 16 . 5 1 1 A 6 6 GLN H H 6 8.170 8.024 0.146 1 1 17 . 5 1 1 A 6 6 GLN HA H 6 4.090 4.024 0.066 1 1 24 . 5 1 1 A 6 6 GLN CA C 6 59.000 58.929 0.071 1 1 25 . 5 1 1 A 6 6 GLN CB C 6 28.500 28.543 -0.043 1 1 27 . 5 1 1 A 6 6 GLN N N 6 117.400 119.959 -2.559 1 1 29 . 5 1 1 A 7 7 LYS H H 7 7.970 8.430 -0.460 1 1 30 . 5 1 1 A 7 7 LYS HA H 7 4.030 4.039 -0.009 1 1 39 . 5 1 1 A 7 7 LYS CA C 7 59.500 59.287 0.213 1 1 40 . 5 1 1 A 7 7 LYS CB C 7 32.500 32.194 0.306 1 1 44 . 5 1 1 A 7 7 LYS N N 7 119.400 119.171 0.229 1 1 45 . 5 1 1 A 8 8 ALA H H 8 7.980 7.498 0.482 1 1 46 . 5 1 1 A 8 8 ALA HA H 8 4.110 4.165 -0.055 1 1 50 . 5 1 1 A 8 8 ALA CA C 8 55.000 54.944 0.056 1 1 51 . 5 1 1 A 8 8 ALA CB C 8 18.100 18.298 -0.198 1 1 52 . 5 1 1 A 8 8 ALA N N 8 123.300 121.841 1.459 1 1 53 . 5 1 1 A 9 9 ILE H H 9 8.070 7.988 0.082 1 1 54 . 5 1 1 A 9 9 ILE HA H 9 3.760 3.651 0.109 1 1 64 . 5 1 1 A 9 9 ILE CA C 9 63.800 65.005 -1.205 1 1 65 . 5 1 1 A 9 9 ILE CB C 9 38.900 37.497 1.403 1 1 69 . 5 1 1 A 9 9 ILE N N 9 119.200 119.895 -0.695 1 1 70 . 5 1 1 A 10 10 PHE H H 10 8.020 8.653 -0.633 1 1 71 . 5 1 1 A 10 10 PHE HA H 10 4.720 4.002 0.718 1 1 79 . 5 1 1 A 10 10 PHE CA C 10 60.400 61.988 -1.588 1 1 80 . 5 1 1 A 10 10 PHE CB C 10 39.400 39.081 0.319 1 1 84 . 5 1 1 A 10 10 PHE N N 10 118.900 121.227 -2.327 1 1 85 . 5 1 1 A 11 11 SER H H 11 8.420 8.796 -0.376 1 1 86 . 5 1 1 A 11 11 SER HA H 11 3.890 4.288 -0.398 1 1 89 . 5 1 1 A 11 11 SER CA C 11 62.000 61.721 0.279 1 1 90 . 5 1 1 A 11 11 SER CB C 11 62.800 62.699 0.101 1 1 91 . 5 1 1 A 11 11 SER N N 11 112.700 113.952 -1.252 1 1 92 . 5 1 1 A 12 12 GLU H H 12 8.050 8.408 -0.358 1 1 93 . 5 1 1 A 12 12 GLU HA H 12 4.130 3.993 0.137 1 1 98 . 5 1 1 A 12 12 GLU CA C 12 59.400 59.481 -0.081 1 1 99 . 5 1 1 A 12 12 GLU CB C 12 29.100 29.202 -0.102 1 1 101 . 5 1 1 A 12 12 GLU N N 12 123.000 121.893 1.107 1 1 102 . 5 1 1 A 13 13 ASN H H 13 8.390 7.936 0.454 1 1 103 . 5 1 1 A 13 13 ASN HA H 13 4.470 4.247 0.223 1 1 108 . 5 1 1 A 13 13 ASN CA C 13 55.700 56.224 -0.524 1 1 109 . 5 1 1 A 13 13 ASN CB C 13 37.900 38.563 -0.663 1 1 110 . 5 1 1 A 13 13 ASN N N 13 119.100 118.797 0.303 1 1 112 . 5 1 1 A 14 14 LEU H H 14 9.170 7.951 1.219 1 1 113 . 5 1 1 A 14 14 LEU HA H 14 3.860 4.068 -0.208 1 1 123 . 5 1 1 A 14 14 LEU CA C 14 58.800 57.764 1.036 1 1 124 . 5 1 1 A 14 14 LEU CB C 14 41.100 41.557 -0.457 1 1 128 . 5 1 1 A 14 14 LEU N N 14 122.200 120.189 2.011 1 1 129 . 5 1 1 A 15 15 ASN H H 15 8.700 8.831 -0.131 1 1 130 . 5 1 1 A 15 15 ASN HA H 15 4.520 4.460 0.060 1 1 135 . 5 1 1 A 15 15 ASN CA C 15 56.600 56.901 -0.301 1 1 136 . 5 1 1 A 15 15 ASN CB C 15 37.900 39.608 -1.708 1 1 137 . 5 1 1 A 15 15 ASN N N 15 115.400 117.827 -2.427 1 1 139 . 5 1 1 A 16 16 SER H H 16 7.860 7.799 0.061 1 1 140 . 5 1 1 A 16 16 SER HA H 16 4.250 4.092 0.158 1 1 143 . 5 1 1 A 16 16 SER CA C 16 61.400 61.136 0.264 1 1 144 . 5 1 1 A 16 16 SER CB C 16 62.100 62.855 -0.755 1 1 145 . 5 1 1 A 16 16 SER N N 16 117.600 113.784 3.816 1 1 146 . 5 1 1 A 17 17 TYR H H 17 7.740 7.422 0.318 1 1 147 . 5 1 1 A 17 17 TYR HA H 17 3.900 4.218 -0.318 1 1 154 . 5 1 1 A 17 17 TYR CA C 17 63.500 61.094 2.406 1 1 155 . 5 1 1 A 17 17 TYR CB C 17 35.600 37.733 -2.133 1 1 158 . 5 1 1 A 17 17 TYR N N 17 120.700 118.328 2.372 1 1 159 . 5 1 1 A 18 18 ILE H H 18 8.660 8.412 0.248 1 1 160 . 5 1 1 A 18 18 ILE HA H 18 3.710 4.020 -0.310 1 1 170 . 5 1 1 A 18 18 ILE CA C 18 66.400 65.757 0.643 1 1 171 . 5 1 1 A 18 18 ILE CB C 18 38.300 37.964 0.336 1 1 175 . 5 1 1 A 18 18 ILE N N 18 121.800 120.302 1.498 1 1 176 . 5 1 1 A 19 19 ALA H H 19 8.010 8.512 -0.502 1 1 177 . 5 1 1 A 19 19 ALA HA H 19 4.220 4.018 0.202 1 1 181 . 5 1 1 A 19 19 ALA CA C 19 55.000 55.436 -0.436 1 1 182 . 5 1 1 A 19 19 ALA CB C 19 17.800 18.037 -0.237 1 1 183 . 5 1 1 A 19 19 ALA N N 19 121.900 122.129 -0.229 1 1 184 . 5 1 1 A 20 20 LYS H H 20 7.650 7.999 -0.349 1 1 185 . 5 1 1 A 20 20 LYS HA H 20 4.200 4.202 -0.002 1 1 194 . 5 1 1 A 20 20 LYS CA C 20 57.900 58.614 -0.714 1 1 195 . 5 1 1 A 20 20 LYS CB C 20 33.000 32.315 0.685 1 1 199 . 5 1 1 A 20 20 LYS N N 20 116.500 118.045 -1.545 1 1 200 . 5 1 1 A 21 21 SER H H 21 8.000 8.024 -0.024 1 1 201 . 5 1 1 A 21 21 SER HA H 21 4.460 4.574 -0.114 1 1 204 . 5 1 1 A 21 21 SER CA C 21 60.100 58.461 1.639 1 1 205 . 5 1 1 A 21 21 SER CB C 21 64.700 63.674 1.026 1 1 206 . 5 1 1 A 21 21 SER N N 21 114.400 112.520 1.880 1 1 207 . 5 1 1 A 22 22 GLU H H 22 7.970 7.969 0.001 1 1 208 . 5 1 1 A 22 22 GLU HA H 22 4.140 4.014 0.126 1 1 213 . 5 1 1 A 22 22 GLU CA C 22 57.900 57.446 0.454 1 1 214 . 5 1 1 A 22 22 GLU CB C 22 27.700 28.384 -0.684 1 1 216 . 5 1 1 A 22 22 GLU N N 22 116.000 120.693 -4.693 1 1 217 . 5 1 1 A 23 23 LYS H H 23 8.070 7.348 0.722 1 1 218 . 5 1 1 A 23 23 LYS HA H 23 4.730 4.839 -0.109 1 1 227 . 5 1 1 A 23 23 LYS CA C 23 53.800 54.828 -1.028 1 1 228 . 5 1 1 A 23 23 LYS CB C 23 34.300 35.520 -1.220 1 1 232 . 5 1 1 A 23 23 LYS N N 23 119.500 118.411 1.089 1 1 233 . 5 1 1 A 24 24 THR H H 24 8.690 8.787 -0.097 1 1 234 . 5 1 1 A 24 24 THR HA H 24 4.460 4.508 -0.048 1 1 239 . 5 1 1 A 24 24 THR CA C 24 60.200 61.152 -0.952 1 1 240 . 5 1 1 A 24 24 THR CB C 24 71.200 70.280 0.920 1 1 242 . 5 1 1 A 24 24 THR N N 24 109.900 114.954 -5.054 1 1 243 . 5 1 1 A 25 25 GLN H H 25 8.840 9.069 -0.229 1 1 244 . 5 1 1 A 25 25 GLN HA H 25 3.640 3.642 -0.002 1 1 251 . 5 1 1 A 25 25 GLN CA C 25 59.900 58.903 0.997 1 1 252 . 5 1 1 A 25 25 GLN CB C 25 28.300 28.399 -0.099 1 1 254 . 5 1 1 A 25 25 GLN N N 25 118.500 121.607 -3.107 1 1 256 . 5 1 1 A 26 26 LEU H H 26 7.690 7.903 -0.213 1 1 257 . 5 1 1 A 26 26 LEU HA H 26 3.790 3.877 -0.087 1 1 267 . 5 1 1 A 26 26 LEU CA C 26 57.900 57.716 0.184 1 1 268 . 5 1 1 A 26 26 LEU CB C 26 41.800 41.523 0.277 1 1 272 . 5 1 1 A 26 26 LEU N N 26 116.000 121.109 -5.109 1 1 273 . 5 1 1 A 27 27 GLU H H 27 7.540 7.760 -0.220 1 1 274 . 5 1 1 A 27 27 GLU HA H 27 3.880 3.884 -0.004 1 1 279 . 5 1 1 A 27 27 GLU CA C 27 58.800 59.157 -0.357 1 1 280 . 5 1 1 A 27 27 GLU CB C 27 29.500 29.513 -0.013 1 1 282 . 5 1 1 A 27 27 GLU N N 27 118.200 118.855 -0.655 1 1 283 . 5 1 1 A 28 28 ILE H H 28 7.710 7.530 0.180 1 1 284 . 5 1 1 A 28 28 ILE HA H 28 2.970 2.962 0.008 1 1 294 . 5 1 1 A 28 28 ILE CA C 28 65.100 64.649 0.451 1 1 295 . 5 1 1 A 28 28 ILE CB C 28 37.400 37.508 -0.108 1 1 299 . 5 1 1 A 28 28 ILE N N 28 121.400 119.533 1.867 1 1 300 . 5 1 1 A 29 29 ALA H H 29 7.690 7.864 -0.174 1 1 301 . 5 1 1 A 29 29 ALA HA H 29 3.230 3.856 -0.626 1 1 305 . 5 1 1 A 29 29 ALA CA C 29 55.300 55.381 -0.081 1 1 306 . 5 1 1 A 29 29 ALA CB C 29 16.300 17.986 -1.686 1 1 307 . 5 1 1 A 29 29 ALA N N 29 120.500 121.257 -0.757 1 1 308 . 5 1 1 A 30 30 LYS H H 30 7.580 8.072 -0.492 1 1 309 . 5 1 1 A 30 30 LYS HA H 30 4.050 3.969 0.081 1 1 318 . 5 1 1 A 30 30 LYS CA C 30 58.800 59.227 -0.427 1 1 319 . 5 1 1 A 30 30 LYS CB C 30 32.000 32.004 -0.004 1 1 323 . 5 1 1 A 30 30 LYS N N 30 114.800 117.629 -2.829 1 1 324 . 5 1 1 A 31 31 SER H H 31 7.680 7.437 0.243 1 1 325 . 5 1 1 A 31 31 SER HA H 31 4.220 4.261 -0.041 1 1 328 . 5 1 1 A 31 31 SER CA C 31 62.300 61.947 0.353 1 1 329 . 5 1 1 A 31 31 SER CB C 31 63.300 62.834 0.466 1 1 330 . 5 1 1 A 31 31 SER N N 31 115.800 116.215 -0.415 1 1 331 . 5 1 1 A 32 32 ILE H H 32 7.800 7.192 0.608 1 1 332 . 5 1 1 A 32 32 ILE HA H 32 4.400 4.140 0.260 1 1 342 . 5 1 1 A 32 32 ILE CA C 32 60.300 62.857 -2.557 1 1 343 . 5 1 1 A 32 32 ILE CB C 32 37.500 38.586 -1.086 1 1 347 . 5 1 1 A 32 32 ILE N N 32 113.800 117.132 -3.332 1 1 348 . 5 1 1 A 33 33 GLY H H 33 7.880 8.528 -0.648 1 1 349 . 5 1 1 A 33 33 GLY HA2 H 33 3.890 4.011 -0.121 1 1 350 . 5 1 1 A 33 33 GLY HA3 H 33 4.040 4.032 0.008 1 1 351 . 5 1 1 A 33 33 GLY CA C 33 46.800 45.085 1.715 1 1 352 . 5 1 1 A 33 33 GLY N N 33 110.500 108.635 1.865 1 1 353 . 5 1 1 A 34 34 VAL H H 34 7.910 7.678 0.232 1 1 354 . 5 1 1 A 34 34 VAL HA H 34 4.720 4.780 -0.060 1 1 362 . 5 1 1 A 34 34 VAL CA C 34 58.700 59.678 -0.978 1 1 363 . 5 1 1 A 34 34 VAL CB C 34 35.500 35.013 0.487 1 1 366 . 5 1 1 A 34 34 VAL N N 34 113.500 117.142 -3.642 1 1 367 . 5 1 1 A 35 35 SER H H 35 8.650 8.733 -0.083 1 1 368 . 5 1 1 A 35 35 SER HA H 35 4.580 4.771 -0.191 1 1 371 . 5 1 1 A 35 35 SER CA C 35 55.900 56.755 -0.855 1 1 372 . 5 1 1 A 35 35 SER CB C 35 62.800 63.488 -0.688 1 1 373 . 5 1 1 A 35 35 SER N N 35 118.400 117.650 0.750 1 1 374 . 5 1 1 A 36 36 PRO HA H 36 3.950 4.192 -0.242 1 1 381 . 5 1 1 A 36 36 PRO CA C 36 65.100 65.465 -0.365 1 1 382 . 5 1 1 A 36 36 PRO CB C 36 31.500 31.904 -0.404 1 1 385 . 5 1 1 A 37 37 GLN H H 37 8.300 8.272 0.028 1 1 386 . 5 1 1 A 37 37 GLN HA H 37 4.030 4.043 -0.013 1 1 393 . 5 1 1 A 37 37 GLN CA C 37 59.400 58.897 0.503 1 1 394 . 5 1 1 A 37 37 GLN CB C 37 27.400 28.209 -0.809 1 1 396 . 5 1 1 A 37 37 GLN N N 37 117.300 117.153 0.147 1 1 398 . 5 1 1 A 38 38 THR H H 38 7.790 7.526 0.264 1 1 399 . 5 1 1 A 38 38 THR HA H 38 3.590 3.713 -0.123 1 1 404 . 5 1 1 A 38 38 THR CA C 38 66.000 66.020 -0.020 1 1 405 . 5 1 1 A 38 38 THR CB C 38 67.900 68.073 -0.173 1 1 407 . 5 1 1 A 38 38 THR N N 38 119.500 116.463 3.037 1 1 408 . 5 1 1 A 39 39 PHE H H 39 8.150 7.882 0.268 1 1 409 . 5 1 1 A 39 39 PHE HA H 39 2.690 3.430 -0.740 1 1 417 . 5 1 1 A 39 39 PHE CA C 39 60.700 61.316 -0.616 1 1 418 . 5 1 1 A 39 39 PHE CB C 39 39.500 38.928 0.572 1 1 422 . 5 1 1 A 39 39 PHE N N 39 123.200 122.588 0.612 1 1 423 . 5 1 1 A 40 40 ASN H H 40 8.270 8.426 -0.156 1 1 424 . 5 1 1 A 40 40 ASN HA H 40 4.410 4.525 -0.115 1 1 429 . 5 1 1 A 40 40 ASN CA C 40 56.800 56.586 0.214 1 1 430 . 5 1 1 A 40 40 ASN CB C 40 38.700 38.810 -0.110 1 1 431 . 5 1 1 A 40 40 ASN N N 40 115.400 116.919 -1.519 1 1 433 . 5 1 1 A 41 41 THR H H 41 7.520 7.536 -0.016 1 1 434 . 5 1 1 A 41 41 THR HA H 41 4.010 4.124 -0.114 1 1 439 . 5 1 1 A 41 41 THR CA C 41 66.000 64.973 1.027 1 1 440 . 5 1 1 A 41 41 THR CB C 41 69.100 68.484 0.616 1 1 442 . 5 1 1 A 41 41 THR N N 41 109.700 113.464 -3.764 1 1 443 . 5 1 1 A 42 42 TRP H H 42 7.190 6.742 0.448 1 1 444 . 5 1 1 A 42 42 TRP HA H 42 5.420 4.441 0.979 1 1 453 . 5 1 1 A 42 42 TRP CA C 42 56.300 59.555 -3.255 1 1 454 . 5 1 1 A 42 42 TRP CB C 42 28.400 29.459 -1.059 1 1 460 . 5 1 1 A 42 42 TRP N N 42 124.000 121.095 2.905 1 1 462 . 5 1 1 A 43 43 CYS H H 43 7.610 8.034 -0.424 1 1 463 . 5 1 1 A 43 43 CYS HA H 43 4.090 4.335 -0.245 1 1 466 . 5 1 1 A 43 43 CYS CA C 43 62.600 62.451 0.149 1 1 467 . 5 1 1 A 43 43 CYS CB C 43 27.600 27.362 0.238 1 1 468 . 5 1 1 A 43 43 CYS N N 43 117.200 119.605 -2.405 1 1 469 . 5 1 1 A 44 44 LYS H H 44 7.870 7.615 0.255 1 1 470 . 5 1 1 A 44 44 LYS HA H 44 4.410 4.367 0.043 1 1 479 . 5 1 1 A 44 44 LYS CA C 44 55.500 55.919 -0.419 1 1 480 . 5 1 1 A 44 44 LYS CB C 44 33.100 33.001 0.099 1 1 484 . 5 1 1 A 44 44 LYS N N 44 115.700 118.094 -2.394 1 1 485 . 5 1 1 A 45 45 GLY H H 45 7.800 7.957 -0.157 1 1 486 . 5 1 1 A 45 45 GLY HA2 H 45 3.980 3.985 -0.005 1 1 487 . 5 1 1 A 45 45 GLY HA3 H 45 4.200 4.016 0.184 1 1 488 . 5 1 1 A 45 45 GLY CA C 45 46.100 46.391 -0.291 1 1 489 . 5 1 1 A 45 45 GLY N N 45 107.200 107.761 -0.561 1 1 490 . 5 1 1 A 46 46 ILE H H 46 7.890 8.256 -0.366 1 1 491 . 5 1 1 A 46 46 ILE HA H 46 4.110 3.974 0.136 1 1 501 . 5 1 1 A 46 46 ILE CA C 46 61.600 63.822 -2.222 1 1 502 . 5 1 1 A 46 46 ILE CB C 46 39.100 38.145 0.955 1 1 506 . 5 1 1 A 46 46 ILE N N 46 115.700 118.489 -2.789 1 1 507 . 5 1 1 A 47 47 ALA H H 47 7.540 7.453 0.087 1 1 508 . 5 1 1 A 47 47 ALA HA H 47 4.590 4.835 -0.245 1 1 512 . 5 1 1 A 47 47 ALA CA C 47 50.700 50.516 0.184 1 1 513 . 5 1 1 A 47 47 ALA CB C 47 22.600 23.136 -0.536 1 1 514 . 5 1 1 A 47 47 ALA N N 47 121.600 119.839 1.761 1 1 515 . 5 1 1 A 48 48 ILE H H 48 8.260 8.885 -0.625 1 1 516 . 5 1 1 A 48 48 ILE HA H 48 4.080 4.054 0.026 1 1 526 . 5 1 1 A 48 48 ILE CA C 48 56.600 56.644 -0.044 1 1 527 . 5 1 1 A 48 48 ILE CB C 48 40.800 39.796 1.004 1 1 531 . 5 1 1 A 48 48 ILE N N 48 118.900 120.081 -1.181 1 1 532 . 5 1 1 A 49 49 PRO HA H 49 4.230 4.439 -0.209 1 1 539 . 5 1 1 A 49 49 PRO CA C 49 61.300 62.313 -1.013 1 1 540 . 5 1 1 A 49 49 PRO CB C 49 31.900 31.169 0.731 1 1 543 . 5 1 1 A 50 50 ARG H H 50 8.130 8.473 -0.343 1 1 544 . 5 1 1 A 50 50 ARG HA H 50 4.170 4.294 -0.124 1 1 551 . 5 1 1 A 50 50 ARG CA C 50 55.600 55.663 -0.063 1 1 552 . 5 1 1 A 50 50 ARG CB C 50 30.500 31.365 -0.865 1 1 555 . 5 1 1 A 50 50 ARG N N 50 115.900 121.406 -5.506 1 1 556 . 5 1 1 A 51 51 MET H H 51 8.680 8.921 -0.241 1 1 557 . 5 1 1 A 51 51 MET HA H 51 4.120 4.172 -0.052 1 1 565 . 5 1 1 A 51 51 MET CA C 51 57.700 57.955 -0.255 1 1 566 . 5 1 1 A 51 51 MET CB C 51 31.200 32.212 -1.012 1 1 569 . 5 1 1 A 51 51 MET N N 51 120.000 122.938 -2.938 1 1 570 . 5 1 1 A 52 52 GLY HA2 H 52 4.000 3.874 0.126 1 1 571 . 5 1 1 A 52 52 GLY HA3 H 52 3.920 3.876 0.044 1 1 572 . 5 1 1 A 52 52 GLY CA C 52 46.800 47.273 -0.473 1 1 573 . 5 1 1 A 53 53 LYS H H 53 7.520 7.890 -0.370 1 1 574 . 5 1 1 A 53 53 LYS HA H 53 4.450 4.237 0.213 1 1 583 . 5 1 1 A 53 53 LYS CA C 53 56.200 58.281 -2.081 1 1 584 . 5 1 1 A 53 53 LYS CB C 53 32.200 32.364 -0.164 1 1 588 . 5 1 1 A 53 53 LYS N N 53 119.900 122.149 -2.249 1 1 589 . 5 1 1 A 54 54 VAL H H 54 7.650 7.943 -0.293 1 1 590 . 5 1 1 A 54 54 VAL HA H 54 3.420 3.533 -0.113 1 1 598 . 5 1 1 A 54 54 VAL CA C 54 67.600 66.534 1.066 1 1 599 . 5 1 1 A 54 54 VAL CB C 54 30.600 31.459 -0.859 1 1 602 . 5 1 1 A 54 54 VAL N N 54 121.300 120.314 0.986 1 1 603 . 5 1 1 A 55 55 GLN H H 55 8.460 8.136 0.324 1 1 604 . 5 1 1 A 55 55 GLN HA H 55 3.790 3.958 -0.168 1 1 611 . 5 1 1 A 55 55 GLN CA C 55 58.000 58.539 -0.539 1 1 612 . 5 1 1 A 55 55 GLN CB C 55 28.200 28.566 -0.366 1 1 614 . 5 1 1 A 55 55 GLN N N 55 118.100 120.679 -2.579 1 1 616 . 5 1 1 A 56 56 ALA H H 56 7.550 7.971 -0.421 1 1 617 . 5 1 1 A 56 56 ALA HA H 56 4.310 4.163 0.147 1 1 621 . 5 1 1 A 56 56 ALA CA C 56 55.100 55.075 0.025 1 1 622 . 5 1 1 A 56 56 ALA CB C 56 18.100 18.457 -0.357 1 1 623 . 5 1 1 A 56 56 ALA N N 56 120.300 122.428 -2.128 1 1 624 . 5 1 1 A 57 57 LEU H H 57 8.170 7.995 0.175 1 1 625 . 5 1 1 A 57 57 LEU HA H 57 3.950 4.090 -0.140 1 1 635 . 5 1 1 A 57 57 LEU CA C 57 57.500 58.123 -0.623 1 1 636 . 5 1 1 A 57 57 LEU CB C 57 43.500 42.196 1.304 1 1 640 . 5 1 1 A 57 57 LEU N N 57 120.100 120.273 -0.173 1 1 641 . 5 1 1 A 58 58 ALA H H 58 8.430 8.725 -0.295 1 1 642 . 5 1 1 A 58 58 ALA HA H 58 3.820 4.127 -0.307 1 1 646 . 5 1 1 A 58 58 ALA CA C 58 54.600 55.307 -0.707 1 1 647 . 5 1 1 A 58 58 ALA CB C 58 16.400 18.257 -1.857 1 1 648 . 5 1 1 A 58 58 ALA N N 58 122.600 121.163 1.437 1 1 649 . 5 1 1 A 59 59 ASP H H 59 8.790 8.482 0.308 1 1 650 . 5 1 1 A 59 59 ASP HA H 59 4.440 4.394 0.046 1 1 653 . 5 1 1 A 59 59 ASP CA C 59 57.000 57.173 -0.173 1 1 654 . 5 1 1 A 59 59 ASP CB C 59 39.800 40.800 -1.000 1 1 655 . 5 1 1 A 59 59 ASP N N 59 117.900 119.107 -1.207 1 1 656 . 5 1 1 A 60 60 TYR H H 60 8.050 7.607 0.443 1 1 657 . 5 1 1 A 60 60 TYR HA H 60 3.820 4.139 -0.319 1 1 664 . 5 1 1 A 60 60 TYR CA C 60 62.000 61.413 0.587 1 1 665 . 5 1 1 A 60 60 TYR CB C 60 38.200 38.278 -0.078 1 1 668 . 5 1 1 A 60 60 TYR N N 60 122.300 120.341 1.959 1 1 669 . 5 1 1 A 61 61 PHE H H 61 7.860 7.616 0.244 1 1 670 . 5 1 1 A 61 61 PHE HA H 61 4.530 4.475 0.055 1 1 678 . 5 1 1 A 61 61 PHE CA C 61 58.000 57.511 0.489 1 1 679 . 5 1 1 A 61 61 PHE CB C 61 39.800 38.903 0.897 1 1 683 . 5 1 1 A 61 61 PHE N N 61 114.100 115.394 -1.294 1 1 684 . 5 1 1 A 62 62 ASN H H 62 8.040 7.891 0.149 1 1 685 . 5 1 1 A 62 62 ASN HA H 62 4.420 4.298 0.122 1 1 690 . 5 1 1 A 62 62 ASN CA C 62 54.200 54.578 -0.378 1 1 691 . 5 1 1 A 62 62 ASN CB C 62 36.800 38.116 -1.316 1 1 692 . 5 1 1 A 62 62 ASN N N 62 118.100 117.070 1.030 1 1 694 . 5 1 1 A 63 63 ILE H H 63 8.360 7.516 0.844 1 1 695 . 5 1 1 A 63 63 ILE HA H 63 4.710 4.370 0.340 1 1 705 . 5 1 1 A 63 63 ILE CA C 63 59.600 59.246 0.354 1 1 706 . 5 1 1 A 63 63 ILE CB C 63 39.700 39.023 0.677 1 1 710 . 5 1 1 A 63 63 ILE N N 63 112.700 116.453 -3.753 1 1 711 . 5 1 1 A 64 64 ASN H H 64 8.860 8.804 0.056 1 1 712 . 5 1 1 A 64 64 ASN HA H 64 4.990 5.034 -0.044 1 1 717 . 5 1 1 A 64 64 ASN CA C 64 52.100 52.105 -0.005 1 1 718 . 5 1 1 A 64 64 ASN CB C 64 40.600 40.345 0.255 1 1 719 . 5 1 1 A 64 64 ASN N N 64 117.400 120.082 -2.682 1 1 721 . 5 1 1 A 65 65 LYS H H 65 9.250 8.834 0.416 1 1 722 . 5 1 1 A 65 65 LYS HA H 65 3.720 4.060 -0.340 1 1 731 . 5 1 1 A 65 65 LYS CA C 65 60.900 58.891 2.009 1 1 732 . 5 1 1 A 65 65 LYS CB C 65 31.200 32.021 -0.821 1 1 736 . 5 1 1 A 65 65 LYS N N 65 123.200 122.569 0.631 1 1 737 . 5 1 1 A 66 66 SER H H 66 8.700 8.389 0.311 1 1 738 . 5 1 1 A 66 66 SER HA H 66 4.050 4.197 -0.147 1 1 741 . 5 1 1 A 66 66 SER CA C 66 61.200 61.381 -0.181 1 1 742 . 5 1 1 A 66 66 SER CB C 66 62.200 62.441 -0.241 1 1 743 . 5 1 1 A 66 66 SER N N 66 114.300 115.439 -1.139 1 1 744 . 5 1 1 A 67 67 ASP H H 67 7.510 7.946 -0.436 1 1 745 . 5 1 1 A 67 67 ASP HA H 67 4.500 4.476 0.024 1 1 748 . 5 1 1 A 67 67 ASP CA C 67 56.700 57.416 -0.716 1 1 749 . 5 1 1 A 67 67 ASP CB C 67 41.000 40.933 0.067 1 1 750 . 5 1 1 A 67 67 ASP N N 67 119.800 122.553 -2.753 1 1 751 . 5 1 1 A 68 68 LEU H H 68 7.440 7.315 0.125 1 1 752 . 5 1 1 A 68 68 LEU HA H 68 4.500 4.071 0.429 1 1 762 . 5 1 1 A 68 68 LEU CA C 68 55.700 56.425 -0.725 1 1 763 . 5 1 1 A 68 68 LEU CB C 68 43.500 41.932 1.568 1 1 767 . 5 1 1 A 68 68 LEU N N 68 113.800 118.948 -5.148 1 1 768 . 5 1 1 A 69 69 ILE H H 69 7.500 7.154 0.346 1 1 769 . 5 1 1 A 69 69 ILE HA H 69 4.390 4.305 0.085 1 1 779 . 5 1 1 A 69 69 ILE CA C 69 61.700 61.311 0.389 1 1 780 . 5 1 1 A 69 69 ILE CB C 69 39.600 38.335 1.265 1 1 784 . 5 1 1 A 69 69 ILE N N 69 112.800 117.206 -4.406 1 1 785 . 5 1 1 A 70 70 GLU H H 70 7.680 7.888 -0.208 1 1 786 . 5 1 1 A 70 70 GLU HA H 70 4.500 4.365 0.135 1 1 791 . 5 1 1 A 70 70 GLU CA C 70 55.200 55.939 -0.739 1 1 792 . 5 1 1 A 70 70 GLU CB C 70 30.800 30.383 0.417 1 1 794 . 5 1 1 A 70 70 GLU N N 70 118.300 122.167 -3.867 1 1 795 . 5 1 1 A 71 71 ASP H H 71 8.660 8.383 0.277 1 1 796 . 5 1 1 A 71 71 ASP HA H 71 4.640 5.101 -0.461 1 1 799 . 5 1 1 A 71 71 ASP CA C 71 53.400 52.550 0.850 1 1 800 . 5 1 1 A 71 71 ASP CB C 71 40.800 44.521 -3.721 1 1 801 . 5 1 1 A 71 71 ASP N N 71 121.100 121.427 -0.327 1 1 802 . 5 1 1 A 72 72 LYS H H 72 8.980 8.797 0.183 1 1 803 . 5 1 1 A 72 72 LYS HA H 72 4.270 4.242 0.028 1 1 812 . 5 1 1 A 72 72 LYS CA C 72 56.400 58.000 -1.600 1 1 813 . 5 1 1 A 72 72 LYS CB C 72 32.400 32.511 -0.111 1 1 817 . 5 1 1 A 72 72 LYS N N 72 126.200 124.715 1.485 1 1 818 . 5 1 1 A 73 73 LYS H H 73 8.460 8.042 0.418 1 1 819 . 5 1 1 A 73 73 LYS HA H 73 4.180 4.312 -0.132 1 1 828 . 5 1 1 A 73 73 LYS CA C 73 56.500 56.705 -0.205 1 1 829 . 5 1 1 A 73 73 LYS CB C 73 31.600 32.602 -1.002 1 1 833 . 5 1 1 A 73 73 LYS N N 73 120.300 117.575 2.725 1 1 834 . 5 1 1 A 74 74 LEU H H 74 7.910 7.659 0.251 1 1 835 . 5 1 1 A 74 74 LEU HA H 74 4.260 4.550 -0.290 1 1 845 . 5 1 1 A 74 74 LEU CA C 74 55.000 54.028 0.972 1 1 846 . 5 1 1 A 74 74 LEU CB C 74 42.200 40.420 1.780 1 1 850 . 5 1 1 A 74 74 LEU N N 74 120.900 121.198 -0.298 1 1 851 . 5 1 1 A 75 75 ASN H H 75 8.320 8.300 0.020 1 1 852 . 5 1 1 A 75 75 ASN HA H 75 4.710 4.486 0.224 1 1 857 . 5 1 1 A 75 75 ASN CA C 75 53.000 53.833 -0.833 1 1 858 . 5 1 1 A 75 75 ASN CB C 75 38.700 37.182 1.518 1 1 859 . 5 1 1 A 75 75 ASN N N 75 119.300 119.930 -0.630 1 1 861 . 5 1 1 A 76 76 ILE H H 76 8.010 8.499 -0.489 1 1 862 . 5 1 1 A 76 76 ILE HA H 76 4.180 4.051 0.129 1 1 872 . 5 1 1 A 76 76 ILE CA C 76 61.000 62.151 -1.151 1 1 873 . 5 1 1 A 76 76 ILE CB C 76 38.700 38.453 0.247 1 1 877 . 5 1 1 A 76 76 ILE N N 76 120.200 124.485 -4.285 1 1 878 . 5 1 1 A 77 77 ASP H H 77 8.390 8.601 -0.211 1 1 879 . 5 1 1 A 77 77 ASP HA H 77 4.660 4.783 -0.123 1 1 882 . 5 1 1 A 77 77 ASP CA C 77 54.200 53.760 0.440 1 1 883 . 5 1 1 A 77 77 ASP CB C 77 41.100 38.910 2.190 1 1 884 . 5 1 1 A 77 77 ASP N N 77 123.500 128.407 -4.907 1 1 885 . 5 1 1 A 78 78 THR H H 78 8.010 8.481 -0.471 1 1 886 . 5 1 1 A 78 78 THR HA H 78 4.310 4.898 -0.588 1 1 891 . 5 1 1 A 78 78 THR CA C 78 61.600 59.358 2.242 1 1 892 . 5 1 1 A 78 78 THR CB C 78 69.700 71.030 -1.330 1 1 894 . 5 1 1 A 78 78 THR N N 78 114.200 117.670 -3.470 1 1 895 . 5 1 1 A 79 79 VAL H H 79 8.090 8.667 -0.577 1 1 896 . 5 1 1 A 79 79 VAL HA H 79 4.390 4.777 -0.387 1 1 904 . 5 1 1 A 79 79 VAL CA C 79 59.900 58.792 1.108 1 1 905 . 5 1 1 A 79 79 VAL CB C 79 32.400 33.057 -0.657 1 1 908 . 5 1 1 A 79 79 VAL N N 79 124.000 122.202 1.798 1 1 909 . 5 1 1 A 80 80 PRO HA H 80 4.420 4.605 -0.185 1 1 916 . 5 1 1 A 80 80 PRO CA C 80 62.900 62.586 0.314 1 1 917 . 5 1 1 A 80 80 PRO CB C 80 31.900 31.642 0.258 1 1 920 . 5 1 1 A 81 81 ILE H H 81 8.210 8.425 -0.215 1 1 921 . 5 1 1 A 81 81 ILE HA H 81 4.110 4.599 -0.489 1 1 931 . 5 1 1 A 81 81 ILE CA C 81 61.200 60.824 0.376 1 1 932 . 5 1 1 A 81 81 ILE CB C 81 38.600 39.186 -0.586 1 1 936 . 5 1 1 A 81 81 ILE N N 81 121.300 123.227 -1.927 1 1 937 . 5 1 1 A 82 82 GLU H H 82 8.510 8.874 -0.364 1 1 938 . 5 1 1 A 82 82 GLU HA H 82 4.300 4.918 -0.618 1 1 943 . 5 1 1 A 82 82 GLU CA C 82 56.300 54.450 1.850 1 1 944 . 5 1 1 A 82 82 GLU CB C 82 30.000 33.168 -3.168 1 1 946 . 5 1 1 A 82 82 GLU N N 82 124.600 128.211 -3.611 1 1 947 . 5 1 1 A 83 83 SER H H 83 8.330 8.787 -0.457 1 1 948 . 5 1 1 A 83 83 SER HA H 83 4.400 4.531 -0.131 1 1 951 . 5 1 1 A 83 83 SER CA C 83 58.500 57.484 1.016 1 1 952 . 5 1 1 A 83 83 SER CB C 83 63.600 62.885 0.715 1 1 953 . 5 1 1 A 83 83 SER N N 83 116.900 120.169 -3.269 1 1 954 . 5 1 1 A 84 84 GLY H H 84 8.400 8.719 -0.319 1 1 955 . 5 1 1 A 84 84 GLY HA2 H 84 3.900 3.774 0.126 1 1 956 . 5 1 1 A 84 84 GLY HA3 H 84 3.900 3.807 0.093 1 1 957 . 5 1 1 A 84 84 GLY CA C 84 45.300 45.371 -0.071 1 1 958 . 5 1 1 A 84 84 GLY N N 84 110.400 110.481 -0.081 1 1 959 . 5 1 1 A 85 85 TYR H H 85 8.000 7.551 0.449 1 1 960 . 5 1 1 A 85 85 TYR HA H 85 4.600 4.440 0.160 1 1 967 . 5 1 1 A 85 85 TYR CA C 85 57.900 60.801 -2.901 1 1 968 . 5 1 1 A 85 85 TYR CB C 85 38.700 37.088 1.612 1 1 971 . 5 1 1 A 85 85 TYR N N 85 120.000 116.085 3.915 1 1 972 . 5 1 1 A 86 86 THR H H 86 8.070 8.660 -0.590 1 1 973 . 5 1 1 A 86 86 THR HA H 86 4.280 4.396 -0.116 1 1 978 . 5 1 1 A 86 86 THR CA C 86 61.600 62.434 -0.834 1 1 979 . 5 1 1 A 86 86 THR CB C 86 69.700 68.490 1.210 1 1 1 . 6 1 1 A 4 4 ASP H H 4 8.270 8.743 -0.473 1 1 2 . 6 1 1 A 4 4 ASP HA H 4 4.550 4.618 -0.068 1 1 5 . 6 1 1 A 4 4 ASP CA C 4 54.700 54.677 0.023 1 1 6 . 6 1 1 A 4 4 ASP CB C 4 41.400 40.875 0.525 1 1 7 . 6 1 1 A 4 4 ASP N N 4 121.200 126.654 -5.454 1 1 8 . 6 1 1 A 5 5 LYS HA H 5 4.160 3.989 0.171 1 1 13 . 6 1 1 A 5 5 LYS CA C 5 58.300 59.722 -1.422 1 1 14 . 6 1 1 A 5 5 LYS CB C 5 32.400 32.479 -0.079 1 1 16 . 6 1 1 A 6 6 GLN H H 6 8.170 8.029 0.141 1 1 17 . 6 1 1 A 6 6 GLN HA H 6 4.090 3.972 0.118 1 1 24 . 6 1 1 A 6 6 GLN CA C 6 59.000 59.651 -0.651 1 1 25 . 6 1 1 A 6 6 GLN CB C 6 28.500 28.137 0.363 1 1 27 . 6 1 1 A 6 6 GLN N N 6 117.400 119.828 -2.428 1 1 29 . 6 1 1 A 7 7 LYS H H 7 7.970 7.867 0.103 1 1 30 . 6 1 1 A 7 7 LYS HA H 7 4.030 4.039 -0.009 1 1 39 . 6 1 1 A 7 7 LYS CA C 7 59.500 59.178 0.322 1 1 40 . 6 1 1 A 7 7 LYS CB C 7 32.500 31.931 0.569 1 1 44 . 6 1 1 A 7 7 LYS N N 7 119.400 118.945 0.455 1 1 45 . 6 1 1 A 8 8 ALA H H 8 7.980 7.791 0.189 1 1 46 . 6 1 1 A 8 8 ALA HA H 8 4.110 4.086 0.024 1 1 50 . 6 1 1 A 8 8 ALA CA C 8 55.000 55.046 -0.046 1 1 51 . 6 1 1 A 8 8 ALA CB C 8 18.100 18.477 -0.377 1 1 52 . 6 1 1 A 8 8 ALA N N 8 123.300 122.080 1.220 1 1 53 . 6 1 1 A 9 9 ILE H H 9 8.070 8.254 -0.184 1 1 54 . 6 1 1 A 9 9 ILE HA H 9 3.760 3.691 0.069 1 1 64 . 6 1 1 A 9 9 ILE CA C 9 63.800 65.145 -1.345 1 1 65 . 6 1 1 A 9 9 ILE CB C 9 38.900 37.479 1.421 1 1 69 . 6 1 1 A 9 9 ILE N N 9 119.200 120.400 -1.200 1 1 70 . 6 1 1 A 10 10 PHE H H 10 8.020 8.314 -0.294 1 1 71 . 6 1 1 A 10 10 PHE HA H 10 4.720 4.357 0.363 1 1 79 . 6 1 1 A 10 10 PHE CA C 10 60.400 62.084 -1.684 1 1 80 . 6 1 1 A 10 10 PHE CB C 10 39.400 38.922 0.478 1 1 84 . 6 1 1 A 10 10 PHE N N 10 118.900 121.152 -2.252 1 1 85 . 6 1 1 A 11 11 SER H H 11 8.420 8.183 0.237 1 1 86 . 6 1 1 A 11 11 SER HA H 11 3.890 4.143 -0.253 1 1 89 . 6 1 1 A 11 11 SER CA C 11 62.000 61.544 0.456 1 1 90 . 6 1 1 A 11 11 SER CB C 11 62.800 62.763 0.037 1 1 91 . 6 1 1 A 11 11 SER N N 11 112.700 115.598 -2.898 1 1 92 . 6 1 1 A 12 12 GLU H H 12 8.050 8.534 -0.484 1 1 93 . 6 1 1 A 12 12 GLU HA H 12 4.130 3.968 0.162 1 1 98 . 6 1 1 A 12 12 GLU CA C 12 59.400 59.514 -0.114 1 1 99 . 6 1 1 A 12 12 GLU CB C 12 29.100 29.116 -0.016 1 1 101 . 6 1 1 A 12 12 GLU N N 12 123.000 121.959 1.041 1 1 102 . 6 1 1 A 13 13 ASN H H 13 8.390 8.158 0.232 1 1 103 . 6 1 1 A 13 13 ASN HA H 13 4.470 4.291 0.179 1 1 108 . 6 1 1 A 13 13 ASN CA C 13 55.700 56.129 -0.429 1 1 109 . 6 1 1 A 13 13 ASN CB C 13 37.900 38.500 -0.600 1 1 110 . 6 1 1 A 13 13 ASN N N 13 119.100 118.701 0.399 1 1 112 . 6 1 1 A 14 14 LEU H H 14 9.170 7.819 1.351 1 1 113 . 6 1 1 A 14 14 LEU HA H 14 3.860 4.012 -0.152 1 1 123 . 6 1 1 A 14 14 LEU CA C 14 58.800 58.072 0.728 1 1 124 . 6 1 1 A 14 14 LEU CB C 14 41.100 41.007 0.093 1 1 128 . 6 1 1 A 14 14 LEU N N 14 122.200 121.315 0.885 1 1 129 . 6 1 1 A 15 15 ASN H H 15 8.700 8.630 0.070 1 1 130 . 6 1 1 A 15 15 ASN HA H 15 4.520 4.474 0.046 1 1 135 . 6 1 1 A 15 15 ASN CA C 15 56.600 56.392 0.208 1 1 136 . 6 1 1 A 15 15 ASN CB C 15 37.900 39.455 -1.555 1 1 137 . 6 1 1 A 15 15 ASN N N 15 115.400 117.658 -2.258 1 1 139 . 6 1 1 A 16 16 SER H H 16 7.860 7.861 -0.001 1 1 140 . 6 1 1 A 16 16 SER HA H 16 4.250 4.109 0.141 1 1 143 . 6 1 1 A 16 16 SER CA C 16 61.400 61.921 -0.521 1 1 144 . 6 1 1 A 16 16 SER CB C 16 62.100 63.114 -1.014 1 1 145 . 6 1 1 A 16 16 SER N N 16 117.600 116.336 1.264 1 1 146 . 6 1 1 A 17 17 TYR H H 17 7.740 7.256 0.484 1 1 147 . 6 1 1 A 17 17 TYR HA H 17 3.900 4.186 -0.286 1 1 154 . 6 1 1 A 17 17 TYR CA C 17 63.500 60.935 2.565 1 1 155 . 6 1 1 A 17 17 TYR CB C 17 35.600 37.232 -1.632 1 1 158 . 6 1 1 A 17 17 TYR N N 17 120.700 119.641 1.059 1 1 159 . 6 1 1 A 18 18 ILE H H 18 8.660 7.912 0.748 1 1 160 . 6 1 1 A 18 18 ILE HA H 18 3.710 3.959 -0.249 1 1 170 . 6 1 1 A 18 18 ILE CA C 18 66.400 65.454 0.946 1 1 171 . 6 1 1 A 18 18 ILE CB C 18 38.300 39.016 -0.716 1 1 175 . 6 1 1 A 18 18 ILE N N 18 121.800 120.595 1.205 1 1 176 . 6 1 1 A 19 19 ALA H H 19 8.010 8.603 -0.593 1 1 177 . 6 1 1 A 19 19 ALA HA H 19 4.220 4.043 0.177 1 1 181 . 6 1 1 A 19 19 ALA CA C 19 55.000 55.467 -0.467 1 1 182 . 6 1 1 A 19 19 ALA CB C 19 17.800 18.152 -0.352 1 1 183 . 6 1 1 A 19 19 ALA N N 19 121.900 122.589 -0.689 1 1 184 . 6 1 1 A 20 20 LYS H H 20 7.650 7.821 -0.171 1 1 185 . 6 1 1 A 20 20 LYS HA H 20 4.200 4.229 -0.029 1 1 194 . 6 1 1 A 20 20 LYS CA C 20 57.900 57.775 0.125 1 1 195 . 6 1 1 A 20 20 LYS CB C 20 33.000 32.051 0.949 1 1 199 . 6 1 1 A 20 20 LYS N N 20 116.500 118.265 -1.765 1 1 200 . 6 1 1 A 21 21 SER H H 21 8.000 7.430 0.570 1 1 201 . 6 1 1 A 21 21 SER HA H 21 4.460 4.607 -0.147 1 1 204 . 6 1 1 A 21 21 SER CA C 21 60.100 59.240 0.860 1 1 205 . 6 1 1 A 21 21 SER CB C 21 64.700 63.771 0.929 1 1 206 . 6 1 1 A 21 21 SER N N 21 114.400 113.793 0.607 1 1 207 . 6 1 1 A 22 22 GLU H H 22 7.970 7.993 -0.023 1 1 208 . 6 1 1 A 22 22 GLU HA H 22 4.140 4.313 -0.173 1 1 213 . 6 1 1 A 22 22 GLU CA C 22 57.900 58.349 -0.449 1 1 214 . 6 1 1 A 22 22 GLU CB C 22 27.700 29.437 -1.737 1 1 216 . 6 1 1 A 22 22 GLU N N 22 116.000 121.054 -5.054 1 1 217 . 6 1 1 A 23 23 LYS H H 23 8.070 8.058 0.012 1 1 218 . 6 1 1 A 23 23 LYS HA H 23 4.730 4.360 0.370 1 1 227 . 6 1 1 A 23 23 LYS CA C 23 53.800 56.637 -2.837 1 1 228 . 6 1 1 A 23 23 LYS CB C 23 34.300 33.989 0.311 1 1 232 . 6 1 1 A 23 23 LYS N N 23 119.500 121.715 -2.215 1 1 233 . 6 1 1 A 24 24 THR H H 24 8.690 8.719 -0.029 1 1 234 . 6 1 1 A 24 24 THR HA H 24 4.460 4.731 -0.271 1 1 239 . 6 1 1 A 24 24 THR CA C 24 60.200 60.653 -0.453 1 1 240 . 6 1 1 A 24 24 THR CB C 24 71.200 71.482 -0.282 1 1 242 . 6 1 1 A 24 24 THR N N 24 109.900 113.701 -3.801 1 1 243 . 6 1 1 A 25 25 GLN H H 25 8.840 9.057 -0.217 1 1 244 . 6 1 1 A 25 25 GLN HA H 25 3.640 4.062 -0.422 1 1 251 . 6 1 1 A 25 25 GLN CA C 25 59.900 59.179 0.721 1 1 252 . 6 1 1 A 25 25 GLN CB C 25 28.300 28.522 -0.222 1 1 254 . 6 1 1 A 25 25 GLN N N 25 118.500 121.280 -2.780 1 1 256 . 6 1 1 A 26 26 LEU H H 26 7.690 8.116 -0.426 1 1 257 . 6 1 1 A 26 26 LEU HA H 26 3.790 3.941 -0.151 1 1 267 . 6 1 1 A 26 26 LEU CA C 26 57.900 57.643 0.257 1 1 268 . 6 1 1 A 26 26 LEU CB C 26 41.800 42.108 -0.308 1 1 272 . 6 1 1 A 26 26 LEU N N 26 116.000 121.276 -5.276 1 1 273 . 6 1 1 A 27 27 GLU H H 27 7.540 8.056 -0.516 1 1 274 . 6 1 1 A 27 27 GLU HA H 27 3.880 3.943 -0.063 1 1 279 . 6 1 1 A 27 27 GLU CA C 27 58.800 59.152 -0.352 1 1 280 . 6 1 1 A 27 27 GLU CB C 27 29.500 29.405 0.095 1 1 282 . 6 1 1 A 27 27 GLU N N 27 118.200 120.029 -1.829 1 1 283 . 6 1 1 A 28 28 ILE H H 28 7.710 7.514 0.196 1 1 284 . 6 1 1 A 28 28 ILE HA H 28 2.970 3.283 -0.313 1 1 294 . 6 1 1 A 28 28 ILE CA C 28 65.100 64.432 0.668 1 1 295 . 6 1 1 A 28 28 ILE CB C 28 37.400 37.178 0.222 1 1 299 . 6 1 1 A 28 28 ILE N N 28 121.400 120.544 0.856 1 1 300 . 6 1 1 A 29 29 ALA H H 29 7.690 8.153 -0.463 1 1 301 . 6 1 1 A 29 29 ALA HA H 29 3.230 3.529 -0.299 1 1 305 . 6 1 1 A 29 29 ALA CA C 29 55.300 55.444 -0.144 1 1 306 . 6 1 1 A 29 29 ALA CB C 29 16.300 18.364 -2.064 1 1 307 . 6 1 1 A 29 29 ALA N N 29 120.500 121.849 -1.349 1 1 308 . 6 1 1 A 30 30 LYS H H 30 7.580 8.127 -0.547 1 1 309 . 6 1 1 A 30 30 LYS HA H 30 4.050 4.036 0.014 1 1 318 . 6 1 1 A 30 30 LYS CA C 30 58.800 59.018 -0.218 1 1 319 . 6 1 1 A 30 30 LYS CB C 30 32.000 31.783 0.217 1 1 323 . 6 1 1 A 30 30 LYS N N 30 114.800 116.264 -1.464 1 1 324 . 6 1 1 A 31 31 SER H H 31 7.680 7.896 -0.216 1 1 325 . 6 1 1 A 31 31 SER HA H 31 4.220 4.212 0.008 1 1 328 . 6 1 1 A 31 31 SER CA C 31 62.300 62.140 0.160 1 1 329 . 6 1 1 A 31 31 SER CB C 31 63.300 62.846 0.454 1 1 330 . 6 1 1 A 31 31 SER N N 31 115.800 117.452 -1.652 1 1 331 . 6 1 1 A 32 32 ILE H H 32 7.800 7.565 0.235 1 1 332 . 6 1 1 A 32 32 ILE HA H 32 4.400 3.918 0.482 1 1 342 . 6 1 1 A 32 32 ILE CA C 32 60.300 63.032 -2.732 1 1 343 . 6 1 1 A 32 32 ILE CB C 32 37.500 38.619 -1.119 1 1 347 . 6 1 1 A 32 32 ILE N N 32 113.800 117.338 -3.538 1 1 348 . 6 1 1 A 33 33 GLY H H 33 7.880 8.262 -0.382 1 1 349 . 6 1 1 A 33 33 GLY HA2 H 33 3.890 4.003 -0.113 1 1 350 . 6 1 1 A 33 33 GLY HA3 H 33 4.040 4.028 0.012 1 1 351 . 6 1 1 A 33 33 GLY CA C 33 46.800 45.284 1.516 1 1 352 . 6 1 1 A 33 33 GLY N N 33 110.500 108.521 1.979 1 1 353 . 6 1 1 A 34 34 VAL H H 34 7.910 7.462 0.448 1 1 354 . 6 1 1 A 34 34 VAL HA H 34 4.720 4.753 -0.033 1 1 362 . 6 1 1 A 34 34 VAL CA C 34 58.700 59.255 -0.555 1 1 363 . 6 1 1 A 34 34 VAL CB C 34 35.500 35.248 0.252 1 1 366 . 6 1 1 A 34 34 VAL N N 34 113.500 116.033 -2.533 1 1 367 . 6 1 1 A 35 35 SER H H 35 8.650 8.677 -0.027 1 1 368 . 6 1 1 A 35 35 SER HA H 35 4.580 4.738 -0.158 1 1 371 . 6 1 1 A 35 35 SER CA C 35 55.900 56.725 -0.825 1 1 372 . 6 1 1 A 35 35 SER CB C 35 62.800 63.020 -0.220 1 1 373 . 6 1 1 A 35 35 SER N N 35 118.400 115.835 2.565 1 1 374 . 6 1 1 A 36 36 PRO HA H 36 3.950 4.268 -0.318 1 1 381 . 6 1 1 A 36 36 PRO CA C 36 65.100 65.525 -0.425 1 1 382 . 6 1 1 A 36 36 PRO CB C 36 31.500 31.870 -0.370 1 1 385 . 6 1 1 A 37 37 GLN H H 37 8.300 8.362 -0.062 1 1 386 . 6 1 1 A 37 37 GLN HA H 37 4.030 4.088 -0.058 1 1 393 . 6 1 1 A 37 37 GLN CA C 37 59.400 58.292 1.108 1 1 394 . 6 1 1 A 37 37 GLN CB C 37 27.400 27.790 -0.390 1 1 396 . 6 1 1 A 37 37 GLN N N 37 117.300 116.993 0.307 1 1 398 . 6 1 1 A 38 38 THR H H 38 7.790 7.601 0.189 1 1 399 . 6 1 1 A 38 38 THR HA H 38 3.590 3.951 -0.361 1 1 404 . 6 1 1 A 38 38 THR CA C 38 66.000 65.796 0.204 1 1 405 . 6 1 1 A 38 38 THR CB C 38 67.900 68.244 -0.344 1 1 407 . 6 1 1 A 38 38 THR N N 38 119.500 116.570 2.930 1 1 408 . 6 1 1 A 39 39 PHE H H 39 8.150 7.863 0.287 1 1 409 . 6 1 1 A 39 39 PHE HA H 39 2.690 3.604 -0.914 1 1 417 . 6 1 1 A 39 39 PHE CA C 39 60.700 60.906 -0.206 1 1 418 . 6 1 1 A 39 39 PHE CB C 39 39.500 39.054 0.446 1 1 422 . 6 1 1 A 39 39 PHE N N 39 123.200 122.213 0.987 1 1 423 . 6 1 1 A 40 40 ASN H H 40 8.270 8.497 -0.227 1 1 424 . 6 1 1 A 40 40 ASN HA H 40 4.410 4.467 -0.057 1 1 429 . 6 1 1 A 40 40 ASN CA C 40 56.800 56.431 0.369 1 1 430 . 6 1 1 A 40 40 ASN CB C 40 38.700 38.684 0.016 1 1 431 . 6 1 1 A 40 40 ASN N N 40 115.400 116.973 -1.573 1 1 433 . 6 1 1 A 41 41 THR H H 41 7.520 8.061 -0.541 1 1 434 . 6 1 1 A 41 41 THR HA H 41 4.010 4.088 -0.078 1 1 439 . 6 1 1 A 41 41 THR CA C 41 66.000 64.949 1.051 1 1 440 . 6 1 1 A 41 41 THR CB C 41 69.100 68.407 0.693 1 1 442 . 6 1 1 A 41 41 THR N N 41 109.700 113.411 -3.711 1 1 443 . 6 1 1 A 42 42 TRP H H 42 7.190 7.244 -0.054 1 1 444 . 6 1 1 A 42 42 TRP HA H 42 5.420 4.484 0.936 1 1 453 . 6 1 1 A 42 42 TRP CA C 42 56.300 59.806 -3.506 1 1 454 . 6 1 1 A 42 42 TRP CB C 42 28.400 29.654 -1.254 1 1 460 . 6 1 1 A 42 42 TRP N N 42 124.000 121.206 2.794 1 1 462 . 6 1 1 A 43 43 CYS H H 43 7.610 7.847 -0.237 1 1 463 . 6 1 1 A 43 43 CYS HA H 43 4.090 4.287 -0.197 1 1 466 . 6 1 1 A 43 43 CYS CA C 43 62.600 62.329 0.271 1 1 467 . 6 1 1 A 43 43 CYS CB C 43 27.600 27.344 0.256 1 1 468 . 6 1 1 A 43 43 CYS N N 43 117.200 119.568 -2.368 1 1 469 . 6 1 1 A 44 44 LYS H H 44 7.870 7.670 0.200 1 1 470 . 6 1 1 A 44 44 LYS HA H 44 4.410 4.352 0.058 1 1 479 . 6 1 1 A 44 44 LYS CA C 44 55.500 55.887 -0.387 1 1 480 . 6 1 1 A 44 44 LYS CB C 44 33.100 32.967 0.133 1 1 484 . 6 1 1 A 44 44 LYS N N 44 115.700 118.150 -2.450 1 1 485 . 6 1 1 A 45 45 GLY H H 45 7.800 7.979 -0.179 1 1 486 . 6 1 1 A 45 45 GLY HA2 H 45 3.980 3.964 0.016 1 1 487 . 6 1 1 A 45 45 GLY HA3 H 45 4.200 4.004 0.196 1 1 488 . 6 1 1 A 45 45 GLY CA C 45 46.100 46.749 -0.649 1 1 489 . 6 1 1 A 45 45 GLY N N 45 107.200 107.750 -0.550 1 1 490 . 6 1 1 A 46 46 ILE H H 46 7.890 8.257 -0.367 1 1 491 . 6 1 1 A 46 46 ILE HA H 46 4.110 4.095 0.015 1 1 501 . 6 1 1 A 46 46 ILE CA C 46 61.600 62.665 -1.065 1 1 502 . 6 1 1 A 46 46 ILE CB C 46 39.100 38.099 1.001 1 1 506 . 6 1 1 A 46 46 ILE N N 46 115.700 117.668 -1.968 1 1 507 . 6 1 1 A 47 47 ALA H H 47 7.540 7.775 -0.235 1 1 508 . 6 1 1 A 47 47 ALA HA H 47 4.590 4.760 -0.170 1 1 512 . 6 1 1 A 47 47 ALA CA C 47 50.700 51.582 -0.882 1 1 513 . 6 1 1 A 47 47 ALA CB C 47 22.600 23.164 -0.564 1 1 514 . 6 1 1 A 47 47 ALA N N 47 121.600 119.693 1.907 1 1 515 . 6 1 1 A 48 48 ILE H H 48 8.260 8.714 -0.454 1 1 516 . 6 1 1 A 48 48 ILE HA H 48 4.080 4.273 -0.193 1 1 526 . 6 1 1 A 48 48 ILE CA C 48 56.600 57.213 -0.613 1 1 527 . 6 1 1 A 48 48 ILE CB C 48 40.800 38.626 2.174 1 1 531 . 6 1 1 A 48 48 ILE N N 48 118.900 120.113 -1.213 1 1 532 . 6 1 1 A 49 49 PRO HA H 49 4.230 4.506 -0.276 1 1 539 . 6 1 1 A 49 49 PRO CA C 49 61.300 62.111 -0.811 1 1 540 . 6 1 1 A 49 49 PRO CB C 49 31.900 31.762 0.138 1 1 543 . 6 1 1 A 50 50 ARG H H 50 8.130 8.515 -0.385 1 1 544 . 6 1 1 A 50 50 ARG HA H 50 4.170 4.325 -0.155 1 1 551 . 6 1 1 A 50 50 ARG CA C 50 55.600 55.284 0.316 1 1 552 . 6 1 1 A 50 50 ARG CB C 50 30.500 31.669 -1.169 1 1 555 . 6 1 1 A 50 50 ARG N N 50 115.900 121.633 -5.733 1 1 556 . 6 1 1 A 51 51 MET H H 51 8.680 8.913 -0.233 1 1 557 . 6 1 1 A 51 51 MET HA H 51 4.120 4.113 0.007 1 1 565 . 6 1 1 A 51 51 MET CA C 51 57.700 58.285 -0.585 1 1 566 . 6 1 1 A 51 51 MET CB C 51 31.200 32.091 -0.891 1 1 569 . 6 1 1 A 51 51 MET N N 51 120.000 123.052 -3.052 1 1 570 . 6 1 1 A 52 52 GLY HA2 H 52 4.000 3.770 0.230 1 1 571 . 6 1 1 A 52 52 GLY HA3 H 52 3.920 3.772 0.148 1 1 572 . 6 1 1 A 52 52 GLY CA C 52 46.800 47.207 -0.407 1 1 573 . 6 1 1 A 53 53 LYS H H 53 7.520 7.760 -0.240 1 1 574 . 6 1 1 A 53 53 LYS HA H 53 4.450 4.264 0.186 1 1 583 . 6 1 1 A 53 53 LYS CA C 53 56.200 58.325 -2.125 1 1 584 . 6 1 1 A 53 53 LYS CB C 53 32.200 32.351 -0.151 1 1 588 . 6 1 1 A 53 53 LYS N N 53 119.900 121.171 -1.271 1 1 589 . 6 1 1 A 54 54 VAL H H 54 7.650 8.052 -0.402 1 1 590 . 6 1 1 A 54 54 VAL HA H 54 3.420 3.544 -0.124 1 1 598 . 6 1 1 A 54 54 VAL CA C 54 67.600 66.653 0.947 1 1 599 . 6 1 1 A 54 54 VAL CB C 54 30.600 31.342 -0.742 1 1 602 . 6 1 1 A 54 54 VAL N N 54 121.300 119.958 1.342 1 1 603 . 6 1 1 A 55 55 GLN H H 55 8.460 8.275 0.185 1 1 604 . 6 1 1 A 55 55 GLN HA H 55 3.790 3.954 -0.164 1 1 611 . 6 1 1 A 55 55 GLN CA C 55 58.000 58.629 -0.629 1 1 612 . 6 1 1 A 55 55 GLN CB C 55 28.200 28.439 -0.239 1 1 614 . 6 1 1 A 55 55 GLN N N 55 118.100 120.572 -2.472 1 1 616 . 6 1 1 A 56 56 ALA H H 56 7.550 7.951 -0.401 1 1 617 . 6 1 1 A 56 56 ALA HA H 56 4.310 4.141 0.169 1 1 621 . 6 1 1 A 56 56 ALA CA C 56 55.100 55.081 0.019 1 1 622 . 6 1 1 A 56 56 ALA CB C 56 18.100 18.150 -0.050 1 1 623 . 6 1 1 A 56 56 ALA N N 56 120.300 122.555 -2.255 1 1 624 . 6 1 1 A 57 57 LEU H H 57 8.170 8.039 0.131 1 1 625 . 6 1 1 A 57 57 LEU HA H 57 3.950 4.051 -0.101 1 1 635 . 6 1 1 A 57 57 LEU CA C 57 57.500 58.180 -0.680 1 1 636 . 6 1 1 A 57 57 LEU CB C 57 43.500 42.016 1.484 1 1 640 . 6 1 1 A 57 57 LEU N N 57 120.100 118.964 1.136 1 1 641 . 6 1 1 A 58 58 ALA H H 58 8.430 8.744 -0.314 1 1 642 . 6 1 1 A 58 58 ALA HA H 58 3.820 4.205 -0.385 1 1 646 . 6 1 1 A 58 58 ALA CA C 58 54.600 55.004 -0.404 1 1 647 . 6 1 1 A 58 58 ALA CB C 58 16.400 18.016 -1.616 1 1 648 . 6 1 1 A 58 58 ALA N N 58 122.600 121.188 1.412 1 1 649 . 6 1 1 A 59 59 ASP H H 59 8.790 8.042 0.748 1 1 650 . 6 1 1 A 59 59 ASP HA H 59 4.440 4.381 0.059 1 1 653 . 6 1 1 A 59 59 ASP CA C 59 57.000 57.278 -0.278 1 1 654 . 6 1 1 A 59 59 ASP CB C 59 39.800 40.917 -1.117 1 1 655 . 6 1 1 A 59 59 ASP N N 59 117.900 119.498 -1.598 1 1 656 . 6 1 1 A 60 60 TYR H H 60 8.050 7.995 0.055 1 1 657 . 6 1 1 A 60 60 TYR HA H 60 3.820 4.164 -0.344 1 1 664 . 6 1 1 A 60 60 TYR CA C 60 62.000 61.343 0.657 1 1 665 . 6 1 1 A 60 60 TYR CB C 60 38.200 38.228 -0.028 1 1 668 . 6 1 1 A 60 60 TYR N N 60 122.300 120.850 1.450 1 1 669 . 6 1 1 A 61 61 PHE H H 61 7.860 7.405 0.455 1 1 670 . 6 1 1 A 61 61 PHE HA H 61 4.530 4.505 0.025 1 1 678 . 6 1 1 A 61 61 PHE CA C 61 58.000 57.734 0.266 1 1 679 . 6 1 1 A 61 61 PHE CB C 61 39.800 39.045 0.755 1 1 683 . 6 1 1 A 61 61 PHE N N 61 114.100 114.922 -0.822 1 1 684 . 6 1 1 A 62 62 ASN H H 62 8.040 8.093 -0.053 1 1 685 . 6 1 1 A 62 62 ASN HA H 62 4.420 4.394 0.026 1 1 690 . 6 1 1 A 62 62 ASN CA C 62 54.200 53.904 0.296 1 1 691 . 6 1 1 A 62 62 ASN CB C 62 36.800 36.998 -0.198 1 1 692 . 6 1 1 A 62 62 ASN N N 62 118.100 118.145 -0.045 1 1 694 . 6 1 1 A 63 63 ILE H H 63 8.360 8.030 0.330 1 1 695 . 6 1 1 A 63 63 ILE HA H 63 4.710 4.873 -0.163 1 1 705 . 6 1 1 A 63 63 ILE CA C 63 59.600 58.136 1.464 1 1 706 . 6 1 1 A 63 63 ILE CB C 63 39.700 41.878 -2.178 1 1 710 . 6 1 1 A 63 63 ILE N N 63 112.700 114.335 -1.635 1 1 711 . 6 1 1 A 64 64 ASN H H 64 8.860 8.759 0.101 1 1 712 . 6 1 1 A 64 64 ASN HA H 64 4.990 4.970 0.020 1 1 717 . 6 1 1 A 64 64 ASN CA C 64 52.100 52.450 -0.350 1 1 718 . 6 1 1 A 64 64 ASN CB C 64 40.600 39.517 1.083 1 1 719 . 6 1 1 A 64 64 ASN N N 64 117.400 119.792 -2.392 1 1 721 . 6 1 1 A 65 65 LYS H H 65 9.250 8.858 0.392 1 1 722 . 6 1 1 A 65 65 LYS HA H 65 3.720 4.077 -0.357 1 1 731 . 6 1 1 A 65 65 LYS CA C 65 60.900 58.863 2.037 1 1 732 . 6 1 1 A 65 65 LYS CB C 65 31.200 31.969 -0.769 1 1 736 . 6 1 1 A 65 65 LYS N N 65 123.200 122.664 0.536 1 1 737 . 6 1 1 A 66 66 SER H H 66 8.700 8.086 0.614 1 1 738 . 6 1 1 A 66 66 SER HA H 66 4.050 4.305 -0.255 1 1 741 . 6 1 1 A 66 66 SER CA C 66 61.200 61.727 -0.527 1 1 742 . 6 1 1 A 66 66 SER CB C 66 62.200 63.153 -0.953 1 1 743 . 6 1 1 A 66 66 SER N N 66 114.300 117.894 -3.594 1 1 744 . 6 1 1 A 67 67 ASP H H 67 7.510 8.061 -0.551 1 1 745 . 6 1 1 A 67 67 ASP HA H 67 4.500 4.521 -0.021 1 1 748 . 6 1 1 A 67 67 ASP CA C 67 56.700 57.325 -0.625 1 1 749 . 6 1 1 A 67 67 ASP CB C 67 41.000 40.916 0.084 1 1 750 . 6 1 1 A 67 67 ASP N N 67 119.800 121.945 -2.145 1 1 751 . 6 1 1 A 68 68 LEU H H 68 7.440 7.527 -0.087 1 1 752 . 6 1 1 A 68 68 LEU HA H 68 4.500 4.187 0.313 1 1 762 . 6 1 1 A 68 68 LEU CA C 68 55.700 56.860 -1.160 1 1 763 . 6 1 1 A 68 68 LEU CB C 68 43.500 42.578 0.922 1 1 767 . 6 1 1 A 68 68 LEU N N 68 113.800 118.850 -5.050 1 1 768 . 6 1 1 A 69 69 ILE H H 69 7.500 8.116 -0.616 1 1 769 . 6 1 1 A 69 69 ILE HA H 69 4.390 4.082 0.308 1 1 779 . 6 1 1 A 69 69 ILE CA C 69 61.700 64.976 -3.276 1 1 780 . 6 1 1 A 69 69 ILE CB C 69 39.600 38.511 1.089 1 1 784 . 6 1 1 A 69 69 ILE N N 69 112.800 117.382 -4.582 1 1 785 . 6 1 1 A 70 70 GLU H H 70 7.680 7.862 -0.182 1 1 786 . 6 1 1 A 70 70 GLU HA H 70 4.500 4.655 -0.155 1 1 791 . 6 1 1 A 70 70 GLU CA C 70 55.200 55.043 0.157 1 1 792 . 6 1 1 A 70 70 GLU CB C 70 30.800 30.733 0.067 1 1 794 . 6 1 1 A 70 70 GLU N N 70 118.300 118.769 -0.469 1 1 795 . 6 1 1 A 71 71 ASP H H 71 8.660 8.710 -0.050 1 1 796 . 6 1 1 A 71 71 ASP HA H 71 4.640 4.670 -0.030 1 1 799 . 6 1 1 A 71 71 ASP CA C 71 53.400 54.227 -0.827 1 1 800 . 6 1 1 A 71 71 ASP CB C 71 40.800 42.349 -1.549 1 1 801 . 6 1 1 A 71 71 ASP N N 71 121.100 121.972 -0.872 1 1 802 . 6 1 1 A 72 72 LYS H H 72 8.980 9.293 -0.313 1 1 803 . 6 1 1 A 72 72 LYS HA H 72 4.270 4.531 -0.261 1 1 812 . 6 1 1 A 72 72 LYS CA C 72 56.400 56.275 0.125 1 1 813 . 6 1 1 A 72 72 LYS CB C 72 32.400 32.309 0.091 1 1 817 . 6 1 1 A 72 72 LYS N N 72 126.200 127.467 -1.267 1 1 818 . 6 1 1 A 73 73 LYS H H 73 8.460 7.563 0.897 1 1 819 . 6 1 1 A 73 73 LYS HA H 73 4.180 4.345 -0.165 1 1 828 . 6 1 1 A 73 73 LYS CA C 73 56.500 57.330 -0.830 1 1 829 . 6 1 1 A 73 73 LYS CB C 73 31.600 32.438 -0.838 1 1 833 . 6 1 1 A 73 73 LYS N N 73 120.300 120.260 0.040 1 1 834 . 6 1 1 A 74 74 LEU H H 74 7.910 7.348 0.562 1 1 835 . 6 1 1 A 74 74 LEU HA H 74 4.260 4.420 -0.160 1 1 845 . 6 1 1 A 74 74 LEU CA C 74 55.000 54.451 0.549 1 1 846 . 6 1 1 A 74 74 LEU CB C 74 42.200 40.512 1.688 1 1 850 . 6 1 1 A 74 74 LEU N N 74 120.900 122.320 -1.420 1 1 851 . 6 1 1 A 75 75 ASN H H 75 8.320 8.688 -0.368 1 1 852 . 6 1 1 A 75 75 ASN HA H 75 4.710 4.921 -0.211 1 1 857 . 6 1 1 A 75 75 ASN CA C 75 53.000 52.544 0.456 1 1 858 . 6 1 1 A 75 75 ASN CB C 75 38.700 38.378 0.322 1 1 859 . 6 1 1 A 75 75 ASN N N 75 119.300 123.501 -4.201 1 1 861 . 6 1 1 A 76 76 ILE H H 76 8.010 8.331 -0.321 1 1 862 . 6 1 1 A 76 76 ILE HA H 76 4.180 3.913 0.267 1 1 872 . 6 1 1 A 76 76 ILE CA C 76 61.000 62.120 -1.120 1 1 873 . 6 1 1 A 76 76 ILE CB C 76 38.700 37.536 1.164 1 1 877 . 6 1 1 A 76 76 ILE N N 76 120.200 127.104 -6.904 1 1 878 . 6 1 1 A 77 77 ASP H H 77 8.390 8.884 -0.494 1 1 879 . 6 1 1 A 77 77 ASP HA H 77 4.660 5.086 -0.426 1 1 882 . 6 1 1 A 77 77 ASP CA C 77 54.200 53.010 1.190 1 1 883 . 6 1 1 A 77 77 ASP CB C 77 41.100 40.388 0.712 1 1 884 . 6 1 1 A 77 77 ASP N N 77 123.500 127.556 -4.056 1 1 885 . 6 1 1 A 78 78 THR H H 78 8.010 8.740 -0.730 1 1 886 . 6 1 1 A 78 78 THR HA H 78 4.310 4.327 -0.017 1 1 891 . 6 1 1 A 78 78 THR CA C 78 61.600 63.175 -1.575 1 1 892 . 6 1 1 A 78 78 THR CB C 78 69.700 69.475 0.225 1 1 894 . 6 1 1 A 78 78 THR N N 78 114.200 120.166 -5.966 1 1 895 . 6 1 1 A 79 79 VAL H H 79 8.090 8.458 -0.368 1 1 896 . 6 1 1 A 79 79 VAL HA H 79 4.390 4.605 -0.215 1 1 904 . 6 1 1 A 79 79 VAL CA C 79 59.900 59.322 0.578 1 1 905 . 6 1 1 A 79 79 VAL CB C 79 32.400 32.385 0.015 1 1 908 . 6 1 1 A 79 79 VAL N N 79 124.000 127.959 -3.959 1 1 909 . 6 1 1 A 80 80 PRO HA H 80 4.420 4.587 -0.167 1 1 916 . 6 1 1 A 80 80 PRO CA C 80 62.900 62.154 0.746 1 1 917 . 6 1 1 A 80 80 PRO CB C 80 31.900 33.190 -1.290 1 1 920 . 6 1 1 A 81 81 ILE H H 81 8.210 8.366 -0.156 1 1 921 . 6 1 1 A 81 81 ILE HA H 81 4.110 4.030 0.080 1 1 931 . 6 1 1 A 81 81 ILE CA C 81 61.200 61.240 -0.040 1 1 932 . 6 1 1 A 81 81 ILE CB C 81 38.600 37.411 1.189 1 1 936 . 6 1 1 A 81 81 ILE N N 81 121.300 121.671 -0.371 1 1 937 . 6 1 1 A 82 82 GLU H H 82 8.510 8.505 0.005 1 1 938 . 6 1 1 A 82 82 GLU HA H 82 4.300 4.471 -0.171 1 1 943 . 6 1 1 A 82 82 GLU CA C 82 56.300 55.937 0.363 1 1 944 . 6 1 1 A 82 82 GLU CB C 82 30.000 30.629 -0.629 1 1 946 . 6 1 1 A 82 82 GLU N N 82 124.600 127.769 -3.169 1 1 947 . 6 1 1 A 83 83 SER H H 83 8.330 8.777 -0.447 1 1 948 . 6 1 1 A 83 83 SER HA H 83 4.400 4.479 -0.079 1 1 951 . 6 1 1 A 83 83 SER CA C 83 58.500 59.031 -0.531 1 1 952 . 6 1 1 A 83 83 SER CB C 83 63.600 64.266 -0.666 1 1 953 . 6 1 1 A 83 83 SER N N 83 116.900 117.092 -0.192 1 1 954 . 6 1 1 A 84 84 GLY H H 84 8.400 8.803 -0.403 1 1 955 . 6 1 1 A 84 84 GLY HA2 H 84 3.900 3.918 -0.018 1 1 956 . 6 1 1 A 84 84 GLY HA3 H 84 3.900 3.925 -0.025 1 1 957 . 6 1 1 A 84 84 GLY CA C 84 45.300 47.348 -2.048 1 1 958 . 6 1 1 A 84 84 GLY N N 84 110.400 112.181 -1.781 1 1 959 . 6 1 1 A 85 85 TYR H H 85 8.000 7.711 0.289 1 1 960 . 6 1 1 A 85 85 TYR HA H 85 4.600 4.593 0.007 1 1 967 . 6 1 1 A 85 85 TYR CA C 85 57.900 60.101 -2.201 1 1 968 . 6 1 1 A 85 85 TYR CB C 85 38.700 38.057 0.643 1 1 971 . 6 1 1 A 85 85 TYR N N 85 120.000 118.224 1.776 1 1 972 . 6 1 1 A 86 86 THR H H 86 8.070 8.373 -0.303 1 1 973 . 6 1 1 A 86 86 THR HA H 86 4.280 4.700 -0.420 1 1 978 . 6 1 1 A 86 86 THR CA C 86 61.600 62.130 -0.530 1 1 979 . 6 1 1 A 86 86 THR CB C 86 69.700 69.058 0.642 1 1 1 . 7 1 1 A 4 4 ASP H H 4 8.270 8.012 0.258 1 1 2 . 7 1 1 A 4 4 ASP HA H 4 4.550 5.027 -0.477 1 1 5 . 7 1 1 A 4 4 ASP CA C 4 54.700 52.917 1.783 1 1 6 . 7 1 1 A 4 4 ASP CB C 4 41.400 41.346 0.054 1 1 7 . 7 1 1 A 4 4 ASP N N 4 121.200 122.185 -0.985 1 1 8 . 7 1 1 A 5 5 LYS HA H 5 4.160 3.908 0.252 1 1 13 . 7 1 1 A 5 5 LYS CA C 5 58.300 59.943 -1.643 1 1 14 . 7 1 1 A 5 5 LYS CB C 5 32.400 32.290 0.110 1 1 16 . 7 1 1 A 6 6 GLN H H 6 8.170 7.903 0.267 1 1 17 . 7 1 1 A 6 6 GLN HA H 6 4.090 4.051 0.039 1 1 24 . 7 1 1 A 6 6 GLN CA C 6 59.000 58.924 0.076 1 1 25 . 7 1 1 A 6 6 GLN CB C 6 28.500 28.237 0.263 1 1 27 . 7 1 1 A 6 6 GLN N N 6 117.400 118.282 -0.882 1 1 29 . 7 1 1 A 7 7 LYS H H 7 7.970 7.948 0.022 1 1 30 . 7 1 1 A 7 7 LYS HA H 7 4.030 4.095 -0.065 1 1 39 . 7 1 1 A 7 7 LYS CA C 7 59.500 59.547 -0.047 1 1 40 . 7 1 1 A 7 7 LYS CB C 7 32.500 32.421 0.079 1 1 44 . 7 1 1 A 7 7 LYS N N 7 119.400 119.614 -0.214 1 1 45 . 7 1 1 A 8 8 ALA H H 8 7.980 8.248 -0.268 1 1 46 . 7 1 1 A 8 8 ALA HA H 8 4.110 4.076 0.034 1 1 50 . 7 1 1 A 8 8 ALA CA C 8 55.000 55.242 -0.242 1 1 51 . 7 1 1 A 8 8 ALA CB C 8 18.100 18.322 -0.222 1 1 52 . 7 1 1 A 8 8 ALA N N 8 123.300 121.841 1.459 1 1 53 . 7 1 1 A 9 9 ILE H H 9 8.070 7.981 0.089 1 1 54 . 7 1 1 A 9 9 ILE HA H 9 3.760 3.674 0.086 1 1 64 . 7 1 1 A 9 9 ILE CA C 9 63.800 65.052 -1.252 1 1 65 . 7 1 1 A 9 9 ILE CB C 9 38.900 37.779 1.121 1 1 69 . 7 1 1 A 9 9 ILE N N 9 119.200 118.524 0.676 1 1 70 . 7 1 1 A 10 10 PHE H H 10 8.020 8.587 -0.567 1 1 71 . 7 1 1 A 10 10 PHE HA H 10 4.720 4.177 0.543 1 1 79 . 7 1 1 A 10 10 PHE CA C 10 60.400 61.997 -1.597 1 1 80 . 7 1 1 A 10 10 PHE CB C 10 39.400 39.082 0.318 1 1 84 . 7 1 1 A 10 10 PHE N N 10 118.900 121.456 -2.556 1 1 85 . 7 1 1 A 11 11 SER H H 11 8.420 8.772 -0.352 1 1 86 . 7 1 1 A 11 11 SER HA H 11 3.890 3.999 -0.109 1 1 89 . 7 1 1 A 11 11 SER CA C 11 62.000 61.627 0.373 1 1 90 . 7 1 1 A 11 11 SER CB C 11 62.800 62.436 0.364 1 1 91 . 7 1 1 A 11 11 SER N N 11 112.700 113.656 -0.956 1 1 92 . 7 1 1 A 12 12 GLU H H 12 8.050 8.447 -0.397 1 1 93 . 7 1 1 A 12 12 GLU HA H 12 4.130 3.962 0.168 1 1 98 . 7 1 1 A 12 12 GLU CA C 12 59.400 59.414 -0.014 1 1 99 . 7 1 1 A 12 12 GLU CB C 12 29.100 29.141 -0.041 1 1 101 . 7 1 1 A 12 12 GLU N N 12 123.000 121.966 1.034 1 1 102 . 7 1 1 A 13 13 ASN H H 13 8.390 8.113 0.277 1 1 103 . 7 1 1 A 13 13 ASN HA H 13 4.470 4.357 0.113 1 1 108 . 7 1 1 A 13 13 ASN CA C 13 55.700 56.249 -0.549 1 1 109 . 7 1 1 A 13 13 ASN CB C 13 37.900 38.333 -0.433 1 1 110 . 7 1 1 A 13 13 ASN N N 13 119.100 118.774 0.326 1 1 112 . 7 1 1 A 14 14 LEU H H 14 9.170 8.022 1.148 1 1 113 . 7 1 1 A 14 14 LEU HA H 14 3.860 3.986 -0.126 1 1 123 . 7 1 1 A 14 14 LEU CA C 14 58.800 57.913 0.887 1 1 124 . 7 1 1 A 14 14 LEU CB C 14 41.100 40.875 0.225 1 1 128 . 7 1 1 A 14 14 LEU N N 14 122.200 121.451 0.749 1 1 129 . 7 1 1 A 15 15 ASN H H 15 8.700 8.426 0.274 1 1 130 . 7 1 1 A 15 15 ASN HA H 15 4.520 4.490 0.030 1 1 135 . 7 1 1 A 15 15 ASN CA C 15 56.600 56.355 0.245 1 1 136 . 7 1 1 A 15 15 ASN CB C 15 37.900 39.498 -1.598 1 1 137 . 7 1 1 A 15 15 ASN N N 15 115.400 117.712 -2.312 1 1 139 . 7 1 1 A 16 16 SER H H 16 7.860 7.728 0.132 1 1 140 . 7 1 1 A 16 16 SER HA H 16 4.250 4.069 0.181 1 1 143 . 7 1 1 A 16 16 SER CA C 16 61.400 62.045 -0.645 1 1 144 . 7 1 1 A 16 16 SER CB C 16 62.100 63.028 -0.928 1 1 145 . 7 1 1 A 16 16 SER N N 16 117.600 116.125 1.475 1 1 146 . 7 1 1 A 17 17 TYR H H 17 7.740 7.189 0.551 1 1 147 . 7 1 1 A 17 17 TYR HA H 17 3.900 4.313 -0.413 1 1 154 . 7 1 1 A 17 17 TYR CA C 17 63.500 60.986 2.514 1 1 155 . 7 1 1 A 17 17 TYR CB C 17 35.600 37.882 -2.282 1 1 158 . 7 1 1 A 17 17 TYR N N 17 120.700 119.582 1.118 1 1 159 . 7 1 1 A 18 18 ILE H H 18 8.660 8.139 0.521 1 1 160 . 7 1 1 A 18 18 ILE HA H 18 3.710 3.981 -0.271 1 1 170 . 7 1 1 A 18 18 ILE CA C 18 66.400 65.394 1.006 1 1 171 . 7 1 1 A 18 18 ILE CB C 18 38.300 38.782 -0.482 1 1 175 . 7 1 1 A 18 18 ILE N N 18 121.800 120.719 1.081 1 1 176 . 7 1 1 A 19 19 ALA H H 19 8.010 8.233 -0.223 1 1 177 . 7 1 1 A 19 19 ALA HA H 19 4.220 4.279 -0.059 1 1 181 . 7 1 1 A 19 19 ALA CA C 19 55.000 53.858 1.142 1 1 182 . 7 1 1 A 19 19 ALA CB C 19 17.800 18.401 -0.601 1 1 183 . 7 1 1 A 19 19 ALA N N 19 121.900 122.195 -0.295 1 1 184 . 7 1 1 A 20 20 LYS H H 20 7.650 7.955 -0.305 1 1 185 . 7 1 1 A 20 20 LYS HA H 20 4.200 4.135 0.065 1 1 194 . 7 1 1 A 20 20 LYS CA C 20 57.900 58.273 -0.373 1 1 195 . 7 1 1 A 20 20 LYS CB C 20 33.000 32.748 0.252 1 1 199 . 7 1 1 A 20 20 LYS N N 20 116.500 117.823 -1.323 1 1 200 . 7 1 1 A 21 21 SER H H 21 8.000 7.661 0.339 1 1 201 . 7 1 1 A 21 21 SER HA H 21 4.460 4.770 -0.310 1 1 204 . 7 1 1 A 21 21 SER CA C 21 60.100 56.080 4.020 1 1 205 . 7 1 1 A 21 21 SER CB C 21 64.700 65.686 -0.986 1 1 206 . 7 1 1 A 21 21 SER N N 21 114.400 114.649 -0.249 1 1 207 . 7 1 1 A 22 22 GLU H H 22 7.970 8.812 -0.842 1 1 208 . 7 1 1 A 22 22 GLU HA H 22 4.140 4.602 -0.462 1 1 213 . 7 1 1 A 22 22 GLU CA C 22 57.900 56.136 1.764 1 1 214 . 7 1 1 A 22 22 GLU CB C 22 27.700 30.198 -2.498 1 1 216 . 7 1 1 A 22 22 GLU N N 22 116.000 122.421 -6.421 1 1 217 . 7 1 1 A 23 23 LYS H H 23 8.070 7.515 0.555 1 1 218 . 7 1 1 A 23 23 LYS HA H 23 4.730 4.295 0.435 1 1 227 . 7 1 1 A 23 23 LYS CA C 23 53.800 56.553 -2.753 1 1 228 . 7 1 1 A 23 23 LYS CB C 23 34.300 33.132 1.168 1 1 232 . 7 1 1 A 23 23 LYS N N 23 119.500 121.821 -2.321 1 1 233 . 7 1 1 A 24 24 THR H H 24 8.690 8.712 -0.022 1 1 234 . 7 1 1 A 24 24 THR HA H 24 4.460 4.707 -0.247 1 1 239 . 7 1 1 A 24 24 THR CA C 24 60.200 60.816 -0.616 1 1 240 . 7 1 1 A 24 24 THR CB C 24 71.200 71.280 -0.080 1 1 242 . 7 1 1 A 24 24 THR N N 24 109.900 115.931 -6.031 1 1 243 . 7 1 1 A 25 25 GLN H H 25 8.840 9.028 -0.188 1 1 244 . 7 1 1 A 25 25 GLN HA H 25 3.640 3.923 -0.283 1 1 251 . 7 1 1 A 25 25 GLN CA C 25 59.900 59.006 0.894 1 1 252 . 7 1 1 A 25 25 GLN CB C 25 28.300 28.564 -0.264 1 1 254 . 7 1 1 A 25 25 GLN N N 25 118.500 121.064 -2.564 1 1 256 . 7 1 1 A 26 26 LEU H H 26 7.690 8.292 -0.602 1 1 257 . 7 1 1 A 26 26 LEU HA H 26 3.790 3.953 -0.163 1 1 267 . 7 1 1 A 26 26 LEU CA C 26 57.900 57.754 0.146 1 1 268 . 7 1 1 A 26 26 LEU CB C 26 41.800 41.274 0.526 1 1 272 . 7 1 1 A 26 26 LEU N N 26 116.000 120.576 -4.576 1 1 273 . 7 1 1 A 27 27 GLU H H 27 7.540 7.882 -0.342 1 1 274 . 7 1 1 A 27 27 GLU HA H 27 3.880 3.953 -0.073 1 1 279 . 7 1 1 A 27 27 GLU CA C 27 58.800 59.117 -0.317 1 1 280 . 7 1 1 A 27 27 GLU CB C 27 29.500 29.611 -0.111 1 1 282 . 7 1 1 A 27 27 GLU N N 27 118.200 117.560 0.640 1 1 283 . 7 1 1 A 28 28 ILE H H 28 7.710 8.036 -0.326 1 1 284 . 7 1 1 A 28 28 ILE HA H 28 2.970 3.471 -0.501 1 1 294 . 7 1 1 A 28 28 ILE CA C 28 65.100 64.301 0.799 1 1 295 . 7 1 1 A 28 28 ILE CB C 28 37.400 37.161 0.239 1 1 299 . 7 1 1 A 28 28 ILE N N 28 121.400 120.437 0.963 1 1 300 . 7 1 1 A 29 29 ALA H H 29 7.690 7.952 -0.262 1 1 301 . 7 1 1 A 29 29 ALA HA H 29 3.230 3.719 -0.489 1 1 305 . 7 1 1 A 29 29 ALA CA C 29 55.300 55.558 -0.258 1 1 306 . 7 1 1 A 29 29 ALA CB C 29 16.300 18.494 -2.194 1 1 307 . 7 1 1 A 29 29 ALA N N 29 120.500 121.692 -1.192 1 1 308 . 7 1 1 A 30 30 LYS H H 30 7.580 7.919 -0.339 1 1 309 . 7 1 1 A 30 30 LYS HA H 30 4.050 4.034 0.016 1 1 318 . 7 1 1 A 30 30 LYS CA C 30 58.800 58.953 -0.153 1 1 319 . 7 1 1 A 30 30 LYS CB C 30 32.000 31.799 0.201 1 1 323 . 7 1 1 A 30 30 LYS N N 30 114.800 116.442 -1.642 1 1 324 . 7 1 1 A 31 31 SER H H 31 7.680 7.524 0.156 1 1 325 . 7 1 1 A 31 31 SER HA H 31 4.220 4.153 0.067 1 1 328 . 7 1 1 A 31 31 SER CA C 31 62.300 62.414 -0.114 1 1 329 . 7 1 1 A 31 31 SER CB C 31 63.300 62.654 0.646 1 1 330 . 7 1 1 A 31 31 SER N N 31 115.800 117.709 -1.909 1 1 331 . 7 1 1 A 32 32 ILE H H 32 7.800 7.614 0.186 1 1 332 . 7 1 1 A 32 32 ILE HA H 32 4.400 3.839 0.561 1 1 342 . 7 1 1 A 32 32 ILE CA C 32 60.300 62.972 -2.672 1 1 343 . 7 1 1 A 32 32 ILE CB C 32 37.500 38.574 -1.074 1 1 347 . 7 1 1 A 32 32 ILE N N 32 113.800 117.119 -3.319 1 1 348 . 7 1 1 A 33 33 GLY H H 33 7.880 8.362 -0.482 1 1 349 . 7 1 1 A 33 33 GLY HA2 H 33 3.890 3.983 -0.093 1 1 350 . 7 1 1 A 33 33 GLY HA3 H 33 4.040 4.004 0.036 1 1 351 . 7 1 1 A 33 33 GLY CA C 33 46.800 45.309 1.491 1 1 352 . 7 1 1 A 33 33 GLY N N 33 110.500 108.506 1.994 1 1 353 . 7 1 1 A 34 34 VAL H H 34 7.910 7.662 0.248 1 1 354 . 7 1 1 A 34 34 VAL HA H 34 4.720 4.752 -0.032 1 1 362 . 7 1 1 A 34 34 VAL CA C 34 58.700 59.359 -0.659 1 1 363 . 7 1 1 A 34 34 VAL CB C 34 35.500 35.168 0.332 1 1 366 . 7 1 1 A 34 34 VAL N N 34 113.500 116.283 -2.783 1 1 367 . 7 1 1 A 35 35 SER H H 35 8.650 8.490 0.160 1 1 368 . 7 1 1 A 35 35 SER HA H 35 4.580 4.590 -0.010 1 1 371 . 7 1 1 A 35 35 SER CA C 35 55.900 57.293 -1.393 1 1 372 . 7 1 1 A 35 35 SER CB C 35 62.800 62.271 0.529 1 1 373 . 7 1 1 A 35 35 SER N N 35 118.400 118.461 -0.061 1 1 374 . 7 1 1 A 36 36 PRO HA H 36 3.950 4.235 -0.285 1 1 381 . 7 1 1 A 36 36 PRO CA C 36 65.100 65.434 -0.334 1 1 382 . 7 1 1 A 36 36 PRO CB C 36 31.500 31.951 -0.451 1 1 385 . 7 1 1 A 37 37 GLN H H 37 8.300 8.253 0.047 1 1 386 . 7 1 1 A 37 37 GLN HA H 37 4.030 4.073 -0.043 1 1 393 . 7 1 1 A 37 37 GLN CA C 37 59.400 59.017 0.383 1 1 394 . 7 1 1 A 37 37 GLN CB C 37 27.400 27.981 -0.581 1 1 396 . 7 1 1 A 37 37 GLN N N 37 117.300 117.143 0.157 1 1 398 . 7 1 1 A 38 38 THR H H 38 7.790 7.751 0.039 1 1 399 . 7 1 1 A 38 38 THR HA H 38 3.590 3.792 -0.202 1 1 404 . 7 1 1 A 38 38 THR CA C 38 66.000 66.200 -0.200 1 1 405 . 7 1 1 A 38 38 THR CB C 38 67.900 68.360 -0.460 1 1 407 . 7 1 1 A 38 38 THR N N 38 119.500 116.802 2.698 1 1 408 . 7 1 1 A 39 39 PHE H H 39 8.150 7.622 0.528 1 1 409 . 7 1 1 A 39 39 PHE HA H 39 2.690 3.620 -0.930 1 1 417 . 7 1 1 A 39 39 PHE CA C 39 60.700 60.917 -0.217 1 1 418 . 7 1 1 A 39 39 PHE CB C 39 39.500 39.061 0.439 1 1 422 . 7 1 1 A 39 39 PHE N N 39 123.200 121.495 1.705 1 1 423 . 7 1 1 A 40 40 ASN H H 40 8.270 8.382 -0.112 1 1 424 . 7 1 1 A 40 40 ASN HA H 40 4.410 4.445 -0.035 1 1 429 . 7 1 1 A 40 40 ASN CA C 40 56.800 56.449 0.351 1 1 430 . 7 1 1 A 40 40 ASN CB C 40 38.700 38.827 -0.127 1 1 431 . 7 1 1 A 40 40 ASN N N 40 115.400 116.932 -1.532 1 1 433 . 7 1 1 A 41 41 THR H H 41 7.520 8.158 -0.638 1 1 434 . 7 1 1 A 41 41 THR HA H 41 4.010 4.120 -0.110 1 1 439 . 7 1 1 A 41 41 THR CA C 41 66.000 64.881 1.119 1 1 440 . 7 1 1 A 41 41 THR CB C 41 69.100 68.504 0.596 1 1 442 . 7 1 1 A 41 41 THR N N 41 109.700 113.372 -3.672 1 1 443 . 7 1 1 A 42 42 TRP H H 42 7.190 6.700 0.490 1 1 444 . 7 1 1 A 42 42 TRP HA H 42 5.420 4.521 0.899 1 1 453 . 7 1 1 A 42 42 TRP CA C 42 56.300 59.504 -3.204 1 1 454 . 7 1 1 A 42 42 TRP CB C 42 28.400 29.562 -1.162 1 1 460 . 7 1 1 A 42 42 TRP N N 42 124.000 121.155 2.845 1 1 462 . 7 1 1 A 43 43 CYS H H 43 7.610 7.977 -0.367 1 1 463 . 7 1 1 A 43 43 CYS HA H 43 4.090 4.196 -0.106 1 1 466 . 7 1 1 A 43 43 CYS CA C 43 62.600 62.503 0.097 1 1 467 . 7 1 1 A 43 43 CYS CB C 43 27.600 27.348 0.252 1 1 468 . 7 1 1 A 43 43 CYS N N 43 117.200 119.452 -2.252 1 1 469 . 7 1 1 A 44 44 LYS H H 44 7.870 7.780 0.090 1 1 470 . 7 1 1 A 44 44 LYS HA H 44 4.410 4.351 0.059 1 1 479 . 7 1 1 A 44 44 LYS CA C 44 55.500 55.884 -0.384 1 1 480 . 7 1 1 A 44 44 LYS CB C 44 33.100 32.972 0.128 1 1 484 . 7 1 1 A 44 44 LYS N N 44 115.700 117.705 -2.005 1 1 485 . 7 1 1 A 45 45 GLY H H 45 7.800 8.027 -0.227 1 1 486 . 7 1 1 A 45 45 GLY HA2 H 45 3.980 3.969 0.011 1 1 487 . 7 1 1 A 45 45 GLY HA3 H 45 4.200 4.031 0.169 1 1 488 . 7 1 1 A 45 45 GLY CA C 45 46.100 46.801 -0.701 1 1 489 . 7 1 1 A 45 45 GLY N N 45 107.200 107.807 -0.607 1 1 490 . 7 1 1 A 46 46 ILE H H 46 7.890 8.543 -0.653 1 1 491 . 7 1 1 A 46 46 ILE HA H 46 4.110 4.031 0.079 1 1 501 . 7 1 1 A 46 46 ILE CA C 46 61.600 63.494 -1.894 1 1 502 . 7 1 1 A 46 46 ILE CB C 46 39.100 38.019 1.081 1 1 506 . 7 1 1 A 46 46 ILE N N 46 115.700 117.704 -2.004 1 1 507 . 7 1 1 A 47 47 ALA H H 47 7.540 7.340 0.200 1 1 508 . 7 1 1 A 47 47 ALA HA H 47 4.590 4.812 -0.222 1 1 512 . 7 1 1 A 47 47 ALA CA C 47 50.700 51.210 -0.510 1 1 513 . 7 1 1 A 47 47 ALA CB C 47 22.600 23.154 -0.554 1 1 514 . 7 1 1 A 47 47 ALA N N 47 121.600 119.231 2.369 1 1 515 . 7 1 1 A 48 48 ILE H H 48 8.260 8.790 -0.530 1 1 516 . 7 1 1 A 48 48 ILE HA H 48 4.080 4.258 -0.178 1 1 526 . 7 1 1 A 48 48 ILE CA C 48 56.600 56.901 -0.301 1 1 527 . 7 1 1 A 48 48 ILE CB C 48 40.800 39.533 1.267 1 1 531 . 7 1 1 A 48 48 ILE N N 48 118.900 119.929 -1.029 1 1 532 . 7 1 1 A 49 49 PRO HA H 49 4.230 4.573 -0.343 1 1 539 . 7 1 1 A 49 49 PRO CA C 49 61.300 62.190 -0.890 1 1 540 . 7 1 1 A 49 49 PRO CB C 49 31.900 31.743 0.157 1 1 543 . 7 1 1 A 50 50 ARG H H 50 8.130 8.742 -0.612 1 1 544 . 7 1 1 A 50 50 ARG HA H 50 4.170 4.620 -0.450 1 1 551 . 7 1 1 A 50 50 ARG CA C 50 55.600 54.783 0.817 1 1 552 . 7 1 1 A 50 50 ARG CB C 50 30.500 31.902 -1.402 1 1 555 . 7 1 1 A 50 50 ARG N N 50 115.900 121.526 -5.626 1 1 556 . 7 1 1 A 51 51 MET H H 51 8.680 8.632 0.048 1 1 557 . 7 1 1 A 51 51 MET HA H 51 4.120 4.154 -0.034 1 1 565 . 7 1 1 A 51 51 MET CA C 51 57.700 58.220 -0.520 1 1 566 . 7 1 1 A 51 51 MET CB C 51 31.200 31.147 0.053 1 1 569 . 7 1 1 A 51 51 MET N N 51 120.000 120.104 -0.104 1 1 570 . 7 1 1 A 52 52 GLY HA2 H 52 4.000 3.862 0.138 1 1 571 . 7 1 1 A 52 52 GLY HA3 H 52 3.920 3.868 0.052 1 1 572 . 7 1 1 A 52 52 GLY CA C 52 46.800 47.246 -0.446 1 1 573 . 7 1 1 A 53 53 LYS H H 53 7.520 7.785 -0.265 1 1 574 . 7 1 1 A 53 53 LYS HA H 53 4.450 4.377 0.073 1 1 583 . 7 1 1 A 53 53 LYS CA C 53 56.200 58.160 -1.960 1 1 584 . 7 1 1 A 53 53 LYS CB C 53 32.200 32.845 -0.645 1 1 588 . 7 1 1 A 53 53 LYS N N 53 119.900 122.205 -2.305 1 1 589 . 7 1 1 A 54 54 VAL H H 54 7.650 8.264 -0.614 1 1 590 . 7 1 1 A 54 54 VAL HA H 54 3.420 3.571 -0.151 1 1 598 . 7 1 1 A 54 54 VAL CA C 54 67.600 66.661 0.939 1 1 599 . 7 1 1 A 54 54 VAL CB C 54 30.600 31.291 -0.691 1 1 602 . 7 1 1 A 54 54 VAL N N 54 121.300 120.478 0.822 1 1 603 . 7 1 1 A 55 55 GLN H H 55 8.460 7.874 0.586 1 1 604 . 7 1 1 A 55 55 GLN HA H 55 3.790 3.962 -0.172 1 1 611 . 7 1 1 A 55 55 GLN CA C 55 58.000 58.657 -0.657 1 1 612 . 7 1 1 A 55 55 GLN CB C 55 28.200 28.638 -0.438 1 1 614 . 7 1 1 A 55 55 GLN N N 55 118.100 120.407 -2.307 1 1 616 . 7 1 1 A 56 56 ALA H H 56 7.550 7.865 -0.315 1 1 617 . 7 1 1 A 56 56 ALA HA H 56 4.310 4.106 0.204 1 1 621 . 7 1 1 A 56 56 ALA CA C 56 55.100 55.003 0.097 1 1 622 . 7 1 1 A 56 56 ALA CB C 56 18.100 18.121 -0.021 1 1 623 . 7 1 1 A 56 56 ALA N N 56 120.300 122.191 -1.891 1 1 624 . 7 1 1 A 57 57 LEU H H 57 8.170 8.233 -0.063 1 1 625 . 7 1 1 A 57 57 LEU HA H 57 3.950 4.130 -0.180 1 1 635 . 7 1 1 A 57 57 LEU CA C 57 57.500 58.198 -0.698 1 1 636 . 7 1 1 A 57 57 LEU CB C 57 43.500 42.072 1.428 1 1 640 . 7 1 1 A 57 57 LEU N N 57 120.100 119.322 0.778 1 1 641 . 7 1 1 A 58 58 ALA H H 58 8.430 8.745 -0.315 1 1 642 . 7 1 1 A 58 58 ALA HA H 58 3.820 4.071 -0.251 1 1 646 . 7 1 1 A 58 58 ALA CA C 58 54.600 55.316 -0.716 1 1 647 . 7 1 1 A 58 58 ALA CB C 58 16.400 17.929 -1.529 1 1 648 . 7 1 1 A 58 58 ALA N N 58 122.600 121.270 1.330 1 1 649 . 7 1 1 A 59 59 ASP H H 59 8.790 8.031 0.759 1 1 650 . 7 1 1 A 59 59 ASP HA H 59 4.440 4.406 0.034 1 1 653 . 7 1 1 A 59 59 ASP CA C 59 57.000 57.542 -0.542 1 1 654 . 7 1 1 A 59 59 ASP CB C 59 39.800 41.302 -1.502 1 1 655 . 7 1 1 A 59 59 ASP N N 59 117.900 119.735 -1.835 1 1 656 . 7 1 1 A 60 60 TYR H H 60 8.050 8.128 -0.078 1 1 657 . 7 1 1 A 60 60 TYR HA H 60 3.820 4.175 -0.355 1 1 664 . 7 1 1 A 60 60 TYR CA C 60 62.000 61.359 0.641 1 1 665 . 7 1 1 A 60 60 TYR CB C 60 38.200 38.142 0.058 1 1 668 . 7 1 1 A 60 60 TYR N N 60 122.300 120.703 1.597 1 1 669 . 7 1 1 A 61 61 PHE H H 61 7.860 7.736 0.124 1 1 670 . 7 1 1 A 61 61 PHE HA H 61 4.530 4.516 0.014 1 1 678 . 7 1 1 A 61 61 PHE CA C 61 58.000 57.716 0.284 1 1 679 . 7 1 1 A 61 61 PHE CB C 61 39.800 39.169 0.631 1 1 683 . 7 1 1 A 61 61 PHE N N 61 114.100 114.702 -0.602 1 1 684 . 7 1 1 A 62 62 ASN H H 62 8.040 7.952 0.088 1 1 685 . 7 1 1 A 62 62 ASN HA H 62 4.420 4.360 0.060 1 1 690 . 7 1 1 A 62 62 ASN CA C 62 54.200 53.907 0.293 1 1 691 . 7 1 1 A 62 62 ASN CB C 62 36.800 36.870 -0.070 1 1 692 . 7 1 1 A 62 62 ASN N N 62 118.100 118.343 -0.243 1 1 694 . 7 1 1 A 63 63 ILE H H 63 8.360 7.742 0.618 1 1 695 . 7 1 1 A 63 63 ILE HA H 63 4.710 4.815 -0.105 1 1 705 . 7 1 1 A 63 63 ILE CA C 63 59.600 58.249 1.351 1 1 706 . 7 1 1 A 63 63 ILE CB C 63 39.700 41.552 -1.852 1 1 710 . 7 1 1 A 63 63 ILE N N 63 112.700 113.932 -1.232 1 1 711 . 7 1 1 A 64 64 ASN H H 64 8.860 9.169 -0.309 1 1 712 . 7 1 1 A 64 64 ASN HA H 64 4.990 5.014 -0.024 1 1 717 . 7 1 1 A 64 64 ASN CA C 64 52.100 52.078 0.022 1 1 718 . 7 1 1 A 64 64 ASN CB C 64 40.600 39.674 0.926 1 1 719 . 7 1 1 A 64 64 ASN N N 64 117.400 119.967 -2.567 1 1 721 . 7 1 1 A 65 65 LYS H H 65 9.250 8.867 0.383 1 1 722 . 7 1 1 A 65 65 LYS HA H 65 3.720 4.061 -0.341 1 1 731 . 7 1 1 A 65 65 LYS CA C 65 60.900 58.893 2.007 1 1 732 . 7 1 1 A 65 65 LYS CB C 65 31.200 31.935 -0.735 1 1 736 . 7 1 1 A 65 65 LYS N N 65 123.200 122.207 0.993 1 1 737 . 7 1 1 A 66 66 SER H H 66 8.700 7.898 0.802 1 1 738 . 7 1 1 A 66 66 SER HA H 66 4.050 4.214 -0.164 1 1 741 . 7 1 1 A 66 66 SER CA C 66 61.200 61.252 -0.052 1 1 742 . 7 1 1 A 66 66 SER CB C 66 62.200 63.204 -1.004 1 1 743 . 7 1 1 A 66 66 SER N N 66 114.300 115.073 -0.773 1 1 744 . 7 1 1 A 67 67 ASP H H 67 7.510 8.060 -0.550 1 1 745 . 7 1 1 A 67 67 ASP HA H 67 4.500 4.486 0.014 1 1 748 . 7 1 1 A 67 67 ASP CA C 67 56.700 56.950 -0.250 1 1 749 . 7 1 1 A 67 67 ASP CB C 67 41.000 40.275 0.725 1 1 750 . 7 1 1 A 67 67 ASP N N 67 119.800 122.004 -2.204 1 1 751 . 7 1 1 A 68 68 LEU H H 68 7.440 7.442 -0.002 1 1 752 . 7 1 1 A 68 68 LEU HA H 68 4.500 4.311 0.189 1 1 762 . 7 1 1 A 68 68 LEU CA C 68 55.700 56.054 -0.354 1 1 763 . 7 1 1 A 68 68 LEU CB C 68 43.500 42.560 0.940 1 1 767 . 7 1 1 A 68 68 LEU N N 68 113.800 117.698 -3.898 1 1 768 . 7 1 1 A 69 69 ILE H H 69 7.500 7.205 0.295 1 1 769 . 7 1 1 A 69 69 ILE HA H 69 4.390 4.150 0.240 1 1 779 . 7 1 1 A 69 69 ILE CA C 69 61.700 64.006 -2.306 1 1 780 . 7 1 1 A 69 69 ILE CB C 69 39.600 39.165 0.435 1 1 784 . 7 1 1 A 69 69 ILE N N 69 112.800 117.460 -4.660 1 1 785 . 7 1 1 A 70 70 GLU H H 70 7.680 7.944 -0.264 1 1 786 . 7 1 1 A 70 70 GLU HA H 70 4.500 4.704 -0.204 1 1 791 . 7 1 1 A 70 70 GLU CA C 70 55.200 54.485 0.715 1 1 792 . 7 1 1 A 70 70 GLU CB C 70 30.800 30.997 -0.197 1 1 794 . 7 1 1 A 70 70 GLU N N 70 118.300 118.823 -0.523 1 1 795 . 7 1 1 A 71 71 ASP H H 71 8.660 8.713 -0.053 1 1 796 . 7 1 1 A 71 71 ASP HA H 71 4.640 4.697 -0.057 1 1 799 . 7 1 1 A 71 71 ASP CA C 71 53.400 52.990 0.410 1 1 800 . 7 1 1 A 71 71 ASP CB C 71 40.800 42.124 -1.324 1 1 801 . 7 1 1 A 71 71 ASP N N 71 121.100 122.656 -1.556 1 1 802 . 7 1 1 A 72 72 LYS H H 72 8.980 8.895 0.085 1 1 803 . 7 1 1 A 72 72 LYS HA H 72 4.270 4.223 0.047 1 1 812 . 7 1 1 A 72 72 LYS CA C 72 56.400 57.002 -0.602 1 1 813 . 7 1 1 A 72 72 LYS CB C 72 32.400 32.350 0.050 1 1 817 . 7 1 1 A 72 72 LYS N N 72 126.200 122.319 3.881 1 1 818 . 7 1 1 A 73 73 LYS H H 73 8.460 7.978 0.482 1 1 819 . 7 1 1 A 73 73 LYS HA H 73 4.180 4.318 -0.138 1 1 828 . 7 1 1 A 73 73 LYS CA C 73 56.500 56.755 -0.255 1 1 829 . 7 1 1 A 73 73 LYS CB C 73 31.600 32.689 -1.089 1 1 833 . 7 1 1 A 73 73 LYS N N 73 120.300 119.097 1.203 1 1 834 . 7 1 1 A 74 74 LEU H H 74 7.910 7.349 0.561 1 1 835 . 7 1 1 A 74 74 LEU HA H 74 4.260 4.528 -0.268 1 1 845 . 7 1 1 A 74 74 LEU CA C 74 55.000 54.299 0.701 1 1 846 . 7 1 1 A 74 74 LEU CB C 74 42.200 39.767 2.433 1 1 850 . 7 1 1 A 74 74 LEU N N 74 120.900 122.602 -1.702 1 1 851 . 7 1 1 A 75 75 ASN H H 75 8.320 8.063 0.257 1 1 852 . 7 1 1 A 75 75 ASN HA H 75 4.710 5.275 -0.565 1 1 857 . 7 1 1 A 75 75 ASN CA C 75 53.000 51.501 1.499 1 1 858 . 7 1 1 A 75 75 ASN CB C 75 38.700 42.122 -3.422 1 1 859 . 7 1 1 A 75 75 ASN N N 75 119.300 120.347 -1.047 1 1 861 . 7 1 1 A 76 76 ILE H H 76 8.010 8.594 -0.584 1 1 862 . 7 1 1 A 76 76 ILE HA H 76 4.180 4.526 -0.346 1 1 872 . 7 1 1 A 76 76 ILE CA C 76 61.000 60.813 0.187 1 1 873 . 7 1 1 A 76 76 ILE CB C 76 38.700 38.235 0.465 1 1 877 . 7 1 1 A 76 76 ILE N N 76 120.200 120.376 -0.176 1 1 878 . 7 1 1 A 77 77 ASP H H 77 8.390 8.610 -0.220 1 1 879 . 7 1 1 A 77 77 ASP HA H 77 4.660 4.894 -0.234 1 1 882 . 7 1 1 A 77 77 ASP CA C 77 54.200 54.223 -0.023 1 1 883 . 7 1 1 A 77 77 ASP CB C 77 41.100 44.711 -3.611 1 1 884 . 7 1 1 A 77 77 ASP N N 77 123.500 125.839 -2.339 1 1 885 . 7 1 1 A 78 78 THR H H 78 8.010 8.752 -0.742 1 1 886 . 7 1 1 A 78 78 THR HA H 78 4.310 4.383 -0.073 1 1 891 . 7 1 1 A 78 78 THR CA C 78 61.600 62.632 -1.032 1 1 892 . 7 1 1 A 78 78 THR CB C 78 69.700 69.741 -0.041 1 1 894 . 7 1 1 A 78 78 THR N N 78 114.200 116.323 -2.123 1 1 895 . 7 1 1 A 79 79 VAL H H 79 8.090 8.695 -0.605 1 1 896 . 7 1 1 A 79 79 VAL HA H 79 4.390 4.696 -0.306 1 1 904 . 7 1 1 A 79 79 VAL CA C 79 59.900 59.439 0.461 1 1 905 . 7 1 1 A 79 79 VAL CB C 79 32.400 32.192 0.208 1 1 908 . 7 1 1 A 79 79 VAL N N 79 124.000 125.042 -1.042 1 1 909 . 7 1 1 A 80 80 PRO HA H 80 4.420 4.734 -0.314 1 1 916 . 7 1 1 A 80 80 PRO CA C 80 62.900 62.268 0.632 1 1 917 . 7 1 1 A 80 80 PRO CB C 80 31.900 33.128 -1.228 1 1 920 . 7 1 1 A 81 81 ILE H H 81 8.210 8.425 -0.215 1 1 921 . 7 1 1 A 81 81 ILE HA H 81 4.110 4.444 -0.334 1 1 931 . 7 1 1 A 81 81 ILE CA C 81 61.200 61.111 0.089 1 1 932 . 7 1 1 A 81 81 ILE CB C 81 38.600 37.907 0.693 1 1 936 . 7 1 1 A 81 81 ILE N N 81 121.300 121.574 -0.274 1 1 937 . 7 1 1 A 82 82 GLU H H 82 8.510 8.702 -0.192 1 1 938 . 7 1 1 A 82 82 GLU HA H 82 4.300 4.659 -0.359 1 1 943 . 7 1 1 A 82 82 GLU CA C 82 56.300 55.561 0.739 1 1 944 . 7 1 1 A 82 82 GLU CB C 82 30.000 33.912 -3.912 1 1 946 . 7 1 1 A 82 82 GLU N N 82 124.600 126.630 -2.030 1 1 947 . 7 1 1 A 83 83 SER H H 83 8.330 8.605 -0.275 1 1 948 . 7 1 1 A 83 83 SER HA H 83 4.400 4.254 0.146 1 1 951 . 7 1 1 A 83 83 SER CA C 83 58.500 58.543 -0.043 1 1 952 . 7 1 1 A 83 83 SER CB C 83 63.600 64.052 -0.452 1 1 953 . 7 1 1 A 83 83 SER N N 83 116.900 118.918 -2.018 1 1 954 . 7 1 1 A 84 84 GLY H H 84 8.400 8.767 -0.367 1 1 955 . 7 1 1 A 84 84 GLY HA2 H 84 3.900 4.060 -0.160 1 1 956 . 7 1 1 A 84 84 GLY HA3 H 84 3.900 4.062 -0.162 1 1 957 . 7 1 1 A 84 84 GLY CA C 84 45.300 46.162 -0.862 1 1 958 . 7 1 1 A 84 84 GLY N N 84 110.400 113.799 -3.399 1 1 959 . 7 1 1 A 85 85 TYR H H 85 8.000 8.371 -0.371 1 1 960 . 7 1 1 A 85 85 TYR HA H 85 4.600 4.129 0.471 1 1 967 . 7 1 1 A 85 85 TYR CA C 85 57.900 58.899 -0.999 1 1 968 . 7 1 1 A 85 85 TYR CB C 85 38.700 37.052 1.648 1 1 971 . 7 1 1 A 85 85 TYR N N 85 120.000 120.898 -0.898 1 1 972 . 7 1 1 A 86 86 THR H H 86 8.070 8.199 -0.129 1 1 973 . 7 1 1 A 86 86 THR HA H 86 4.280 3.942 0.338 1 1 978 . 7 1 1 A 86 86 THR CA C 86 61.600 61.908 -0.308 1 1 979 . 7 1 1 A 86 86 THR CB C 86 69.700 67.344 2.356 1 1 1 . 8 1 1 A 4 4 ASP H H 4 8.270 8.156 0.114 1 1 2 . 8 1 1 A 4 4 ASP HA H 4 4.550 4.343 0.207 1 1 5 . 8 1 1 A 4 4 ASP CA C 4 54.700 54.773 -0.073 1 1 6 . 8 1 1 A 4 4 ASP CB C 4 41.400 39.374 2.026 1 1 7 . 8 1 1 A 4 4 ASP N N 4 121.200 119.009 2.191 1 1 8 . 8 1 1 A 5 5 LYS HA H 5 4.160 3.984 0.176 1 1 13 . 8 1 1 A 5 5 LYS CA C 5 58.300 59.578 -1.278 1 1 14 . 8 1 1 A 5 5 LYS CB C 5 32.400 32.461 -0.061 1 1 16 . 8 1 1 A 6 6 GLN H H 6 8.170 7.929 0.241 1 1 17 . 8 1 1 A 6 6 GLN HA H 6 4.090 4.070 0.020 1 1 24 . 8 1 1 A 6 6 GLN CA C 6 59.000 58.966 0.034 1 1 25 . 8 1 1 A 6 6 GLN CB C 6 28.500 27.974 0.526 1 1 27 . 8 1 1 A 6 6 GLN N N 6 117.400 119.466 -2.066 1 1 29 . 8 1 1 A 7 7 LYS H H 7 7.970 8.324 -0.354 1 1 30 . 8 1 1 A 7 7 LYS HA H 7 4.030 4.074 -0.044 1 1 39 . 8 1 1 A 7 7 LYS CA C 7 59.500 58.662 0.838 1 1 40 . 8 1 1 A 7 7 LYS CB C 7 32.500 32.104 0.396 1 1 44 . 8 1 1 A 7 7 LYS N N 7 119.400 121.016 -1.616 1 1 45 . 8 1 1 A 8 8 ALA H H 8 7.980 7.397 0.583 1 1 46 . 8 1 1 A 8 8 ALA HA H 8 4.110 4.138 -0.028 1 1 50 . 8 1 1 A 8 8 ALA CA C 8 55.000 54.794 0.206 1 1 51 . 8 1 1 A 8 8 ALA CB C 8 18.100 18.600 -0.500 1 1 52 . 8 1 1 A 8 8 ALA N N 8 123.300 120.851 2.449 1 1 53 . 8 1 1 A 9 9 ILE H H 9 8.070 7.992 0.078 1 1 54 . 8 1 1 A 9 9 ILE HA H 9 3.760 3.882 -0.122 1 1 64 . 8 1 1 A 9 9 ILE CA C 9 63.800 65.195 -1.395 1 1 65 . 8 1 1 A 9 9 ILE CB C 9 38.900 37.855 1.045 1 1 69 . 8 1 1 A 9 9 ILE N N 9 119.200 119.650 -0.450 1 1 70 . 8 1 1 A 10 10 PHE H H 10 8.020 8.641 -0.621 1 1 71 . 8 1 1 A 10 10 PHE HA H 10 4.720 4.236 0.484 1 1 79 . 8 1 1 A 10 10 PHE CA C 10 60.400 62.231 -1.831 1 1 80 . 8 1 1 A 10 10 PHE CB C 10 39.400 39.103 0.297 1 1 84 . 8 1 1 A 10 10 PHE N N 10 118.900 121.560 -2.660 1 1 85 . 8 1 1 A 11 11 SER H H 11 8.420 8.406 0.014 1 1 86 . 8 1 1 A 11 11 SER HA H 11 3.890 4.172 -0.282 1 1 89 . 8 1 1 A 11 11 SER CA C 11 62.000 61.652 0.348 1 1 90 . 8 1 1 A 11 11 SER CB C 11 62.800 62.779 0.021 1 1 91 . 8 1 1 A 11 11 SER N N 11 112.700 113.787 -1.087 1 1 92 . 8 1 1 A 12 12 GLU H H 12 8.050 8.123 -0.073 1 1 93 . 8 1 1 A 12 12 GLU HA H 12 4.130 3.991 0.139 1 1 98 . 8 1 1 A 12 12 GLU CA C 12 59.400 59.513 -0.113 1 1 99 . 8 1 1 A 12 12 GLU CB C 12 29.100 29.206 -0.106 1 1 101 . 8 1 1 A 12 12 GLU N N 12 123.000 121.813 1.187 1 1 102 . 8 1 1 A 13 13 ASN H H 13 8.390 8.153 0.237 1 1 103 . 8 1 1 A 13 13 ASN HA H 13 4.470 4.406 0.064 1 1 108 . 8 1 1 A 13 13 ASN CA C 13 55.700 56.114 -0.414 1 1 109 . 8 1 1 A 13 13 ASN CB C 13 37.900 38.308 -0.408 1 1 110 . 8 1 1 A 13 13 ASN N N 13 119.100 118.563 0.537 1 1 112 . 8 1 1 A 14 14 LEU H H 14 9.170 8.081 1.089 1 1 113 . 8 1 1 A 14 14 LEU HA H 14 3.860 3.956 -0.096 1 1 123 . 8 1 1 A 14 14 LEU CA C 14 58.800 58.032 0.768 1 1 124 . 8 1 1 A 14 14 LEU CB C 14 41.100 41.131 -0.031 1 1 128 . 8 1 1 A 14 14 LEU N N 14 122.200 120.458 1.742 1 1 129 . 8 1 1 A 15 15 ASN H H 15 8.700 8.448 0.252 1 1 130 . 8 1 1 A 15 15 ASN HA H 15 4.520 4.469 0.051 1 1 135 . 8 1 1 A 15 15 ASN CA C 15 56.600 56.575 0.025 1 1 136 . 8 1 1 A 15 15 ASN CB C 15 37.900 39.663 -1.763 1 1 137 . 8 1 1 A 15 15 ASN N N 15 115.400 117.762 -2.362 1 1 139 . 8 1 1 A 16 16 SER H H 16 7.860 7.752 0.108 1 1 140 . 8 1 1 A 16 16 SER HA H 16 4.250 4.084 0.166 1 1 143 . 8 1 1 A 16 16 SER CA C 16 61.400 62.182 -0.782 1 1 144 . 8 1 1 A 16 16 SER CB C 16 62.100 63.078 -0.978 1 1 145 . 8 1 1 A 16 16 SER N N 16 117.600 116.468 1.132 1 1 146 . 8 1 1 A 17 17 TYR H H 17 7.740 7.519 0.221 1 1 147 . 8 1 1 A 17 17 TYR HA H 17 3.900 4.228 -0.328 1 1 154 . 8 1 1 A 17 17 TYR CA C 17 63.500 61.221 2.279 1 1 155 . 8 1 1 A 17 17 TYR CB C 17 35.600 37.647 -2.047 1 1 158 . 8 1 1 A 17 17 TYR N N 17 120.700 119.529 1.171 1 1 159 . 8 1 1 A 18 18 ILE H H 18 8.660 8.041 0.619 1 1 160 . 8 1 1 A 18 18 ILE HA H 18 3.710 4.004 -0.294 1 1 170 . 8 1 1 A 18 18 ILE CA C 18 66.400 65.959 0.441 1 1 171 . 8 1 1 A 18 18 ILE CB C 18 38.300 38.599 -0.299 1 1 175 . 8 1 1 A 18 18 ILE N N 18 121.800 120.712 1.088 1 1 176 . 8 1 1 A 19 19 ALA H H 19 8.010 8.496 -0.486 1 1 177 . 8 1 1 A 19 19 ALA HA H 19 4.220 4.020 0.200 1 1 181 . 8 1 1 A 19 19 ALA CA C 19 55.000 55.550 -0.550 1 1 182 . 8 1 1 A 19 19 ALA CB C 19 17.800 18.246 -0.446 1 1 183 . 8 1 1 A 19 19 ALA N N 19 121.900 121.988 -0.088 1 1 184 . 8 1 1 A 20 20 LYS H H 20 7.650 8.145 -0.495 1 1 185 . 8 1 1 A 20 20 LYS HA H 20 4.200 4.070 0.130 1 1 194 . 8 1 1 A 20 20 LYS CA C 20 57.900 59.428 -1.528 1 1 195 . 8 1 1 A 20 20 LYS CB C 20 33.000 32.177 0.823 1 1 199 . 8 1 1 A 20 20 LYS N N 20 116.500 117.775 -1.275 1 1 200 . 8 1 1 A 21 21 SER H H 21 8.000 7.639 0.361 1 1 201 . 8 1 1 A 21 21 SER HA H 21 4.460 4.519 -0.059 1 1 204 . 8 1 1 A 21 21 SER CA C 21 60.100 60.216 -0.116 1 1 205 . 8 1 1 A 21 21 SER CB C 21 64.700 63.858 0.842 1 1 206 . 8 1 1 A 21 21 SER N N 21 114.400 113.709 0.691 1 1 207 . 8 1 1 A 22 22 GLU H H 22 7.970 7.979 -0.009 1 1 208 . 8 1 1 A 22 22 GLU HA H 22 4.140 3.984 0.156 1 1 213 . 8 1 1 A 22 22 GLU CA C 22 57.900 57.500 0.400 1 1 214 . 8 1 1 A 22 22 GLU CB C 22 27.700 28.513 -0.813 1 1 216 . 8 1 1 A 22 22 GLU N N 22 116.000 120.635 -4.635 1 1 217 . 8 1 1 A 23 23 LYS H H 23 8.070 7.771 0.299 1 1 218 . 8 1 1 A 23 23 LYS HA H 23 4.730 4.902 -0.172 1 1 227 . 8 1 1 A 23 23 LYS CA C 23 53.800 54.673 -0.873 1 1 228 . 8 1 1 A 23 23 LYS CB C 23 34.300 35.859 -1.559 1 1 232 . 8 1 1 A 23 23 LYS N N 23 119.500 119.645 -0.145 1 1 233 . 8 1 1 A 24 24 THR H H 24 8.690 8.740 -0.050 1 1 234 . 8 1 1 A 24 24 THR HA H 24 4.460 4.737 -0.277 1 1 239 . 8 1 1 A 24 24 THR CA C 24 60.200 60.191 0.009 1 1 240 . 8 1 1 A 24 24 THR CB C 24 71.200 70.731 0.469 1 1 242 . 8 1 1 A 24 24 THR N N 24 109.900 114.536 -4.636 1 1 243 . 8 1 1 A 25 25 GLN H H 25 8.840 9.007 -0.167 1 1 244 . 8 1 1 A 25 25 GLN HA H 25 3.640 3.852 -0.212 1 1 251 . 8 1 1 A 25 25 GLN CA C 25 59.900 59.205 0.695 1 1 252 . 8 1 1 A 25 25 GLN CB C 25 28.300 28.553 -0.253 1 1 254 . 8 1 1 A 25 25 GLN N N 25 118.500 122.030 -3.530 1 1 256 . 8 1 1 A 26 26 LEU H H 26 7.690 8.017 -0.327 1 1 257 . 8 1 1 A 26 26 LEU HA H 26 3.790 3.960 -0.170 1 1 267 . 8 1 1 A 26 26 LEU CA C 26 57.900 57.758 0.142 1 1 268 . 8 1 1 A 26 26 LEU CB C 26 41.800 41.600 0.200 1 1 272 . 8 1 1 A 26 26 LEU N N 26 116.000 121.194 -5.194 1 1 273 . 8 1 1 A 27 27 GLU H H 27 7.540 8.049 -0.509 1 1 274 . 8 1 1 A 27 27 GLU HA H 27 3.880 3.911 -0.031 1 1 279 . 8 1 1 A 27 27 GLU CA C 27 58.800 59.222 -0.422 1 1 280 . 8 1 1 A 27 27 GLU CB C 27 29.500 29.452 0.048 1 1 282 . 8 1 1 A 27 27 GLU N N 27 118.200 117.952 0.248 1 1 283 . 8 1 1 A 28 28 ILE H H 28 7.710 7.732 -0.022 1 1 284 . 8 1 1 A 28 28 ILE HA H 28 2.970 3.299 -0.329 1 1 294 . 8 1 1 A 28 28 ILE CA C 28 65.100 65.251 -0.151 1 1 295 . 8 1 1 A 28 28 ILE CB C 28 37.400 37.875 -0.475 1 1 299 . 8 1 1 A 28 28 ILE N N 28 121.400 120.004 1.396 1 1 300 . 8 1 1 A 29 29 ALA H H 29 7.690 8.112 -0.422 1 1 301 . 8 1 1 A 29 29 ALA HA H 29 3.230 3.711 -0.481 1 1 305 . 8 1 1 A 29 29 ALA CA C 29 55.300 55.449 -0.149 1 1 306 . 8 1 1 A 29 29 ALA CB C 29 16.300 17.750 -1.450 1 1 307 . 8 1 1 A 29 29 ALA N N 29 120.500 121.380 -0.880 1 1 308 . 8 1 1 A 30 30 LYS H H 30 7.580 7.814 -0.234 1 1 309 . 8 1 1 A 30 30 LYS HA H 30 4.050 3.960 0.090 1 1 318 . 8 1 1 A 30 30 LYS CA C 30 58.800 59.064 -0.264 1 1 319 . 8 1 1 A 30 30 LYS CB C 30 32.000 32.093 -0.093 1 1 323 . 8 1 1 A 30 30 LYS N N 30 114.800 117.567 -2.767 1 1 324 . 8 1 1 A 31 31 SER H H 31 7.680 7.678 0.002 1 1 325 . 8 1 1 A 31 31 SER HA H 31 4.220 4.183 0.037 1 1 328 . 8 1 1 A 31 31 SER CA C 31 62.300 61.962 0.338 1 1 329 . 8 1 1 A 31 31 SER CB C 31 63.300 62.642 0.658 1 1 330 . 8 1 1 A 31 31 SER N N 31 115.800 116.652 -0.852 1 1 331 . 8 1 1 A 32 32 ILE H H 32 7.800 7.552 0.248 1 1 332 . 8 1 1 A 32 32 ILE HA H 32 4.400 3.903 0.497 1 1 342 . 8 1 1 A 32 32 ILE CA C 32 60.300 62.883 -2.583 1 1 343 . 8 1 1 A 32 32 ILE CB C 32 37.500 38.621 -1.121 1 1 347 . 8 1 1 A 32 32 ILE N N 32 113.800 117.223 -3.423 1 1 348 . 8 1 1 A 33 33 GLY H H 33 7.880 8.494 -0.614 1 1 349 . 8 1 1 A 33 33 GLY HA2 H 33 3.890 3.987 -0.097 1 1 350 . 8 1 1 A 33 33 GLY HA3 H 33 4.040 4.008 0.032 1 1 351 . 8 1 1 A 33 33 GLY CA C 33 46.800 45.405 1.395 1 1 352 . 8 1 1 A 33 33 GLY N N 33 110.500 108.422 2.078 1 1 353 . 8 1 1 A 34 34 VAL H H 34 7.910 7.623 0.287 1 1 354 . 8 1 1 A 34 34 VAL HA H 34 4.720 4.803 -0.083 1 1 362 . 8 1 1 A 34 34 VAL CA C 34 58.700 59.345 -0.645 1 1 363 . 8 1 1 A 34 34 VAL CB C 34 35.500 35.167 0.333 1 1 366 . 8 1 1 A 34 34 VAL N N 34 113.500 115.888 -2.388 1 1 367 . 8 1 1 A 35 35 SER H H 35 8.650 8.483 0.167 1 1 368 . 8 1 1 A 35 35 SER HA H 35 4.580 4.609 -0.029 1 1 371 . 8 1 1 A 35 35 SER CA C 35 55.900 57.215 -1.315 1 1 372 . 8 1 1 A 35 35 SER CB C 35 62.800 62.452 0.348 1 1 373 . 8 1 1 A 35 35 SER N N 35 118.400 118.108 0.292 1 1 374 . 8 1 1 A 36 36 PRO HA H 36 3.950 4.304 -0.354 1 1 381 . 8 1 1 A 36 36 PRO CA C 36 65.100 65.138 -0.038 1 1 382 . 8 1 1 A 36 36 PRO CB C 36 31.500 32.111 -0.611 1 1 385 . 8 1 1 A 37 37 GLN H H 37 8.300 8.237 0.063 1 1 386 . 8 1 1 A 37 37 GLN HA H 37 4.030 4.038 -0.008 1 1 393 . 8 1 1 A 37 37 GLN CA C 37 59.400 58.581 0.819 1 1 394 . 8 1 1 A 37 37 GLN CB C 37 27.400 28.447 -1.047 1 1 396 . 8 1 1 A 37 37 GLN N N 37 117.300 117.690 -0.390 1 1 398 . 8 1 1 A 38 38 THR H H 38 7.790 7.646 0.144 1 1 399 . 8 1 1 A 38 38 THR HA H 38 3.590 3.724 -0.134 1 1 404 . 8 1 1 A 38 38 THR CA C 38 66.000 66.075 -0.075 1 1 405 . 8 1 1 A 38 38 THR CB C 38 67.900 68.345 -0.445 1 1 407 . 8 1 1 A 38 38 THR N N 38 119.500 117.577 1.923 1 1 408 . 8 1 1 A 39 39 PHE H H 39 8.150 7.756 0.394 1 1 409 . 8 1 1 A 39 39 PHE HA H 39 2.690 3.610 -0.920 1 1 417 . 8 1 1 A 39 39 PHE CA C 39 60.700 60.895 -0.195 1 1 418 . 8 1 1 A 39 39 PHE CB C 39 39.500 39.068 0.432 1 1 422 . 8 1 1 A 39 39 PHE N N 39 123.200 121.696 1.504 1 1 423 . 8 1 1 A 40 40 ASN H H 40 8.270 8.338 -0.068 1 1 424 . 8 1 1 A 40 40 ASN HA H 40 4.410 4.461 -0.051 1 1 429 . 8 1 1 A 40 40 ASN CA C 40 56.800 56.544 0.256 1 1 430 . 8 1 1 A 40 40 ASN CB C 40 38.700 38.790 -0.090 1 1 431 . 8 1 1 A 40 40 ASN N N 40 115.400 116.906 -1.506 1 1 433 . 8 1 1 A 41 41 THR H H 41 7.520 7.906 -0.386 1 1 434 . 8 1 1 A 41 41 THR HA H 41 4.010 4.097 -0.087 1 1 439 . 8 1 1 A 41 41 THR CA C 41 66.000 64.880 1.120 1 1 440 . 8 1 1 A 41 41 THR CB C 41 69.100 68.510 0.590 1 1 442 . 8 1 1 A 41 41 THR N N 41 109.700 113.483 -3.783 1 1 443 . 8 1 1 A 42 42 TRP H H 42 7.190 7.243 -0.053 1 1 444 . 8 1 1 A 42 42 TRP HA H 42 5.420 4.596 0.824 1 1 453 . 8 1 1 A 42 42 TRP CA C 42 56.300 59.147 -2.847 1 1 454 . 8 1 1 A 42 42 TRP CB C 42 28.400 30.007 -1.607 1 1 460 . 8 1 1 A 42 42 TRP N N 42 124.000 121.243 2.757 1 1 462 . 8 1 1 A 43 43 CYS H H 43 7.610 8.105 -0.495 1 1 463 . 8 1 1 A 43 43 CYS HA H 43 4.090 4.157 -0.067 1 1 466 . 8 1 1 A 43 43 CYS CA C 43 62.600 62.641 -0.041 1 1 467 . 8 1 1 A 43 43 CYS CB C 43 27.600 26.964 0.636 1 1 468 . 8 1 1 A 43 43 CYS N N 43 117.200 119.649 -2.449 1 1 469 . 8 1 1 A 44 44 LYS H H 44 7.870 8.015 -0.145 1 1 470 . 8 1 1 A 44 44 LYS HA H 44 4.410 4.349 0.061 1 1 479 . 8 1 1 A 44 44 LYS CA C 44 55.500 55.832 -0.332 1 1 480 . 8 1 1 A 44 44 LYS CB C 44 33.100 32.985 0.115 1 1 484 . 8 1 1 A 44 44 LYS N N 44 115.700 117.562 -1.862 1 1 485 . 8 1 1 A 45 45 GLY H H 45 7.800 7.901 -0.101 1 1 486 . 8 1 1 A 45 45 GLY HA2 H 45 3.980 3.965 0.015 1 1 487 . 8 1 1 A 45 45 GLY HA3 H 45 4.200 4.017 0.183 1 1 488 . 8 1 1 A 45 45 GLY CA C 45 46.100 46.926 -0.826 1 1 489 . 8 1 1 A 45 45 GLY N N 45 107.200 107.983 -0.783 1 1 490 . 8 1 1 A 46 46 ILE H H 46 7.890 8.486 -0.596 1 1 491 . 8 1 1 A 46 46 ILE HA H 46 4.110 4.059 0.051 1 1 501 . 8 1 1 A 46 46 ILE CA C 46 61.600 63.126 -1.526 1 1 502 . 8 1 1 A 46 46 ILE CB C 46 39.100 38.479 0.621 1 1 506 . 8 1 1 A 46 46 ILE N N 46 115.700 116.949 -1.249 1 1 507 . 8 1 1 A 47 47 ALA H H 47 7.540 7.317 0.223 1 1 508 . 8 1 1 A 47 47 ALA HA H 47 4.590 4.746 -0.156 1 1 512 . 8 1 1 A 47 47 ALA CA C 47 50.700 50.970 -0.270 1 1 513 . 8 1 1 A 47 47 ALA CB C 47 22.600 23.115 -0.515 1 1 514 . 8 1 1 A 47 47 ALA N N 47 121.600 119.199 2.401 1 1 515 . 8 1 1 A 48 48 ILE H H 48 8.260 8.633 -0.373 1 1 516 . 8 1 1 A 48 48 ILE HA H 48 4.080 4.071 0.009 1 1 526 . 8 1 1 A 48 48 ILE CA C 48 56.600 57.453 -0.853 1 1 527 . 8 1 1 A 48 48 ILE CB C 48 40.800 38.108 2.692 1 1 531 . 8 1 1 A 48 48 ILE N N 48 118.900 120.554 -1.654 1 1 532 . 8 1 1 A 49 49 PRO HA H 49 4.230 4.461 -0.231 1 1 539 . 8 1 1 A 49 49 PRO CA C 49 61.300 62.116 -0.816 1 1 540 . 8 1 1 A 49 49 PRO CB C 49 31.900 31.466 0.434 1 1 543 . 8 1 1 A 50 50 ARG H H 50 8.130 8.378 -0.248 1 1 544 . 8 1 1 A 50 50 ARG HA H 50 4.170 4.151 0.019 1 1 551 . 8 1 1 A 50 50 ARG CA C 50 55.600 56.074 -0.474 1 1 552 . 8 1 1 A 50 50 ARG CB C 50 30.500 31.591 -1.091 1 1 555 . 8 1 1 A 50 50 ARG N N 50 115.900 121.995 -6.095 1 1 556 . 8 1 1 A 51 51 MET H H 51 8.680 8.936 -0.256 1 1 557 . 8 1 1 A 51 51 MET HA H 51 4.120 4.147 -0.027 1 1 565 . 8 1 1 A 51 51 MET CA C 51 57.700 58.600 -0.900 1 1 566 . 8 1 1 A 51 51 MET CB C 51 31.200 32.707 -1.507 1 1 569 . 8 1 1 A 51 51 MET N N 51 120.000 126.492 -6.492 1 1 570 . 8 1 1 A 52 52 GLY HA2 H 52 4.000 3.877 0.123 1 1 571 . 8 1 1 A 52 52 GLY HA3 H 52 3.920 3.879 0.041 1 1 572 . 8 1 1 A 52 52 GLY CA C 52 46.800 46.933 -0.133 1 1 573 . 8 1 1 A 53 53 LYS H H 53 7.520 7.934 -0.414 1 1 574 . 8 1 1 A 53 53 LYS HA H 53 4.450 4.140 0.310 1 1 583 . 8 1 1 A 53 53 LYS CA C 53 56.200 59.363 -3.163 1 1 584 . 8 1 1 A 53 53 LYS CB C 53 32.200 31.945 0.255 1 1 588 . 8 1 1 A 53 53 LYS N N 53 119.900 122.292 -2.392 1 1 589 . 8 1 1 A 54 54 VAL H H 54 7.650 7.801 -0.151 1 1 590 . 8 1 1 A 54 54 VAL HA H 54 3.420 3.497 -0.077 1 1 598 . 8 1 1 A 54 54 VAL CA C 54 67.600 66.917 0.683 1 1 599 . 8 1 1 A 54 54 VAL CB C 54 30.600 31.271 -0.671 1 1 602 . 8 1 1 A 54 54 VAL N N 54 121.300 120.300 1.000 1 1 603 . 8 1 1 A 55 55 GLN H H 55 8.460 8.324 0.136 1 1 604 . 8 1 1 A 55 55 GLN HA H 55 3.790 3.975 -0.185 1 1 611 . 8 1 1 A 55 55 GLN CA C 55 58.000 58.898 -0.898 1 1 612 . 8 1 1 A 55 55 GLN CB C 55 28.200 28.358 -0.158 1 1 614 . 8 1 1 A 55 55 GLN N N 55 118.100 118.491 -0.391 1 1 616 . 8 1 1 A 56 56 ALA H H 56 7.550 7.850 -0.300 1 1 617 . 8 1 1 A 56 56 ALA HA H 56 4.310 4.176 0.134 1 1 621 . 8 1 1 A 56 56 ALA CA C 56 55.100 55.118 -0.018 1 1 622 . 8 1 1 A 56 56 ALA CB C 56 18.100 18.028 0.072 1 1 623 . 8 1 1 A 56 56 ALA N N 56 120.300 122.474 -2.174 1 1 624 . 8 1 1 A 57 57 LEU H H 57 8.170 7.941 0.229 1 1 625 . 8 1 1 A 57 57 LEU HA H 57 3.950 4.107 -0.157 1 1 635 . 8 1 1 A 57 57 LEU CA C 57 57.500 58.209 -0.709 1 1 636 . 8 1 1 A 57 57 LEU CB C 57 43.500 41.967 1.533 1 1 640 . 8 1 1 A 57 57 LEU N N 57 120.100 119.028 1.072 1 1 641 . 8 1 1 A 58 58 ALA H H 58 8.430 8.834 -0.404 1 1 642 . 8 1 1 A 58 58 ALA HA H 58 3.820 4.082 -0.262 1 1 646 . 8 1 1 A 58 58 ALA CA C 58 54.600 55.244 -0.644 1 1 647 . 8 1 1 A 58 58 ALA CB C 58 16.400 17.957 -1.557 1 1 648 . 8 1 1 A 58 58 ALA N N 58 122.600 121.257 1.343 1 1 649 . 8 1 1 A 59 59 ASP H H 59 8.790 8.412 0.378 1 1 650 . 8 1 1 A 59 59 ASP HA H 59 4.440 4.407 0.033 1 1 653 . 8 1 1 A 59 59 ASP CA C 59 57.000 57.422 -0.422 1 1 654 . 8 1 1 A 59 59 ASP CB C 59 39.800 41.195 -1.395 1 1 655 . 8 1 1 A 59 59 ASP N N 59 117.900 119.501 -1.601 1 1 656 . 8 1 1 A 60 60 TYR H H 60 8.050 8.198 -0.148 1 1 657 . 8 1 1 A 60 60 TYR HA H 60 3.820 4.159 -0.339 1 1 664 . 8 1 1 A 60 60 TYR CA C 60 62.000 61.357 0.643 1 1 665 . 8 1 1 A 60 60 TYR CB C 60 38.200 38.314 -0.114 1 1 668 . 8 1 1 A 60 60 TYR N N 60 122.300 120.698 1.602 1 1 669 . 8 1 1 A 61 61 PHE H H 61 7.860 7.649 0.211 1 1 670 . 8 1 1 A 61 61 PHE HA H 61 4.530 4.512 0.018 1 1 678 . 8 1 1 A 61 61 PHE CA C 61 58.000 57.495 0.505 1 1 679 . 8 1 1 A 61 61 PHE CB C 61 39.800 39.195 0.605 1 1 683 . 8 1 1 A 61 61 PHE N N 61 114.100 114.983 -0.883 1 1 684 . 8 1 1 A 62 62 ASN H H 62 8.040 7.907 0.133 1 1 685 . 8 1 1 A 62 62 ASN HA H 62 4.420 4.324 0.096 1 1 690 . 8 1 1 A 62 62 ASN CA C 62 54.200 54.482 -0.282 1 1 691 . 8 1 1 A 62 62 ASN CB C 62 36.800 36.658 0.142 1 1 692 . 8 1 1 A 62 62 ASN N N 62 118.100 114.247 3.853 1 1 694 . 8 1 1 A 63 63 ILE H H 63 8.360 7.940 0.420 1 1 695 . 8 1 1 A 63 63 ILE HA H 63 4.710 4.743 -0.033 1 1 705 . 8 1 1 A 63 63 ILE CA C 63 59.600 58.844 0.756 1 1 706 . 8 1 1 A 63 63 ILE CB C 63 39.700 40.585 -0.885 1 1 710 . 8 1 1 A 63 63 ILE N N 63 112.700 113.185 -0.485 1 1 711 . 8 1 1 A 64 64 ASN H H 64 8.860 8.479 0.381 1 1 712 . 8 1 1 A 64 64 ASN HA H 64 4.990 4.887 0.103 1 1 717 . 8 1 1 A 64 64 ASN CA C 64 52.100 52.447 -0.347 1 1 718 . 8 1 1 A 64 64 ASN CB C 64 40.600 39.505 1.095 1 1 719 . 8 1 1 A 64 64 ASN N N 64 117.400 120.187 -2.787 1 1 721 . 8 1 1 A 65 65 LYS H H 65 9.250 8.802 0.448 1 1 722 . 8 1 1 A 65 65 LYS HA H 65 3.720 4.039 -0.319 1 1 731 . 8 1 1 A 65 65 LYS CA C 65 60.900 58.845 2.055 1 1 732 . 8 1 1 A 65 65 LYS CB C 65 31.200 31.983 -0.783 1 1 736 . 8 1 1 A 65 65 LYS N N 65 123.200 122.573 0.627 1 1 737 . 8 1 1 A 66 66 SER H H 66 8.700 8.096 0.604 1 1 738 . 8 1 1 A 66 66 SER HA H 66 4.050 4.247 -0.197 1 1 741 . 8 1 1 A 66 66 SER CA C 66 61.200 61.779 -0.579 1 1 742 . 8 1 1 A 66 66 SER CB C 66 62.200 63.129 -0.929 1 1 743 . 8 1 1 A 66 66 SER N N 66 114.300 117.921 -3.621 1 1 744 . 8 1 1 A 67 67 ASP H H 67 7.510 8.109 -0.599 1 1 745 . 8 1 1 A 67 67 ASP HA H 67 4.500 4.475 0.025 1 1 748 . 8 1 1 A 67 67 ASP CA C 67 56.700 57.035 -0.335 1 1 749 . 8 1 1 A 67 67 ASP CB C 67 41.000 40.199 0.801 1 1 750 . 8 1 1 A 67 67 ASP N N 67 119.800 121.762 -1.962 1 1 751 . 8 1 1 A 68 68 LEU H H 68 7.440 7.603 -0.163 1 1 752 . 8 1 1 A 68 68 LEU HA H 68 4.500 4.159 0.341 1 1 762 . 8 1 1 A 68 68 LEU CA C 68 55.700 55.695 0.005 1 1 763 . 8 1 1 A 68 68 LEU CB C 68 43.500 42.407 1.093 1 1 767 . 8 1 1 A 68 68 LEU N N 68 113.800 118.277 -4.477 1 1 768 . 8 1 1 A 69 69 ILE H H 69 7.500 7.267 0.233 1 1 769 . 8 1 1 A 69 69 ILE HA H 69 4.390 4.442 -0.052 1 1 779 . 8 1 1 A 69 69 ILE CA C 69 61.700 60.666 1.034 1 1 780 . 8 1 1 A 69 69 ILE CB C 69 39.600 38.108 1.492 1 1 784 . 8 1 1 A 69 69 ILE N N 69 112.800 116.593 -3.793 1 1 785 . 8 1 1 A 70 70 GLU H H 70 7.680 7.947 -0.267 1 1 786 . 8 1 1 A 70 70 GLU HA H 70 4.500 4.273 0.227 1 1 791 . 8 1 1 A 70 70 GLU CA C 70 55.200 57.560 -2.360 1 1 792 . 8 1 1 A 70 70 GLU CB C 70 30.800 30.569 0.231 1 1 794 . 8 1 1 A 70 70 GLU N N 70 118.300 123.742 -5.442 1 1 795 . 8 1 1 A 71 71 ASP H H 71 8.660 8.582 0.078 1 1 796 . 8 1 1 A 71 71 ASP HA H 71 4.640 5.117 -0.477 1 1 799 . 8 1 1 A 71 71 ASP CA C 71 53.400 53.380 0.020 1 1 800 . 8 1 1 A 71 71 ASP CB C 71 40.800 43.896 -3.096 1 1 801 . 8 1 1 A 71 71 ASP N N 71 121.100 121.477 -0.377 1 1 802 . 8 1 1 A 72 72 LYS H H 72 8.980 8.872 0.108 1 1 803 . 8 1 1 A 72 72 LYS HA H 72 4.270 4.591 -0.321 1 1 812 . 8 1 1 A 72 72 LYS CA C 72 56.400 55.721 0.679 1 1 813 . 8 1 1 A 72 72 LYS CB C 72 32.400 32.536 -0.136 1 1 817 . 8 1 1 A 72 72 LYS N N 72 126.200 124.689 1.511 1 1 818 . 8 1 1 A 73 73 LYS H H 73 8.460 8.511 -0.051 1 1 819 . 8 1 1 A 73 73 LYS HA H 73 4.180 4.266 -0.086 1 1 828 . 8 1 1 A 73 73 LYS CA C 73 56.500 57.202 -0.702 1 1 829 . 8 1 1 A 73 73 LYS CB C 73 31.600 32.597 -0.997 1 1 833 . 8 1 1 A 73 73 LYS N N 73 120.300 120.076 0.224 1 1 834 . 8 1 1 A 74 74 LEU H H 74 7.910 7.687 0.223 1 1 835 . 8 1 1 A 74 74 LEU HA H 74 4.260 4.530 -0.270 1 1 845 . 8 1 1 A 74 74 LEU CA C 74 55.000 54.020 0.980 1 1 846 . 8 1 1 A 74 74 LEU CB C 74 42.200 40.530 1.670 1 1 850 . 8 1 1 A 74 74 LEU N N 74 120.900 120.775 0.125 1 1 851 . 8 1 1 A 75 75 ASN H H 75 8.320 8.248 0.072 1 1 852 . 8 1 1 A 75 75 ASN HA H 75 4.710 4.370 0.340 1 1 857 . 8 1 1 A 75 75 ASN CA C 75 53.000 53.930 -0.930 1 1 858 . 8 1 1 A 75 75 ASN CB C 75 38.700 37.021 1.679 1 1 859 . 8 1 1 A 75 75 ASN N N 75 119.300 119.899 -0.599 1 1 861 . 8 1 1 A 76 76 ILE H H 76 8.010 8.474 -0.464 1 1 862 . 8 1 1 A 76 76 ILE HA H 76 4.180 4.152 0.028 1 1 872 . 8 1 1 A 76 76 ILE CA C 76 61.000 62.106 -1.106 1 1 873 . 8 1 1 A 76 76 ILE CB C 76 38.700 37.978 0.722 1 1 877 . 8 1 1 A 76 76 ILE N N 76 120.200 124.248 -4.048 1 1 878 . 8 1 1 A 77 77 ASP H H 77 8.390 8.574 -0.184 1 1 879 . 8 1 1 A 77 77 ASP HA H 77 4.660 5.037 -0.377 1 1 882 . 8 1 1 A 77 77 ASP CA C 77 54.200 53.166 1.034 1 1 883 . 8 1 1 A 77 77 ASP CB C 77 41.100 42.595 -1.495 1 1 884 . 8 1 1 A 77 77 ASP N N 77 123.500 127.942 -4.442 1 1 885 . 8 1 1 A 78 78 THR H H 78 8.010 8.655 -0.645 1 1 886 . 8 1 1 A 78 78 THR HA H 78 4.310 4.347 -0.037 1 1 891 . 8 1 1 A 78 78 THR CA C 78 61.600 62.520 -0.920 1 1 892 . 8 1 1 A 78 78 THR CB C 78 69.700 69.080 0.620 1 1 894 . 8 1 1 A 78 78 THR N N 78 114.200 118.452 -4.252 1 1 895 . 8 1 1 A 79 79 VAL H H 79 8.090 8.764 -0.674 1 1 896 . 8 1 1 A 79 79 VAL HA H 79 4.390 4.800 -0.410 1 1 904 . 8 1 1 A 79 79 VAL CA C 79 59.900 58.921 0.979 1 1 905 . 8 1 1 A 79 79 VAL CB C 79 32.400 33.021 -0.621 1 1 908 . 8 1 1 A 79 79 VAL N N 79 124.000 127.374 -3.374 1 1 909 . 8 1 1 A 80 80 PRO HA H 80 4.420 4.823 -0.403 1 1 916 . 8 1 1 A 80 80 PRO CA C 80 62.900 62.414 0.486 1 1 917 . 8 1 1 A 80 80 PRO CB C 80 31.900 32.465 -0.565 1 1 920 . 8 1 1 A 81 81 ILE H H 81 8.210 8.582 -0.372 1 1 921 . 8 1 1 A 81 81 ILE HA H 81 4.110 4.613 -0.503 1 1 931 . 8 1 1 A 81 81 ILE CA C 81 61.200 59.894 1.306 1 1 932 . 8 1 1 A 81 81 ILE CB C 81 38.600 39.760 -1.160 1 1 936 . 8 1 1 A 81 81 ILE N N 81 121.300 122.534 -1.234 1 1 937 . 8 1 1 A 82 82 GLU H H 82 8.510 8.739 -0.229 1 1 938 . 8 1 1 A 82 82 GLU HA H 82 4.300 4.528 -0.228 1 1 943 . 8 1 1 A 82 82 GLU CA C 82 56.300 56.115 0.185 1 1 944 . 8 1 1 A 82 82 GLU CB C 82 30.000 28.175 1.825 1 1 946 . 8 1 1 A 82 82 GLU N N 82 124.600 128.522 -3.922 1 1 947 . 8 1 1 A 83 83 SER H H 83 8.330 7.935 0.395 1 1 948 . 8 1 1 A 83 83 SER HA H 83 4.400 4.886 -0.486 1 1 951 . 8 1 1 A 83 83 SER CA C 83 58.500 57.143 1.357 1 1 952 . 8 1 1 A 83 83 SER CB C 83 63.600 66.731 -3.131 1 1 953 . 8 1 1 A 83 83 SER N N 83 116.900 117.751 -0.851 1 1 954 . 8 1 1 A 84 84 GLY H H 84 8.400 8.570 -0.170 1 1 955 . 8 1 1 A 84 84 GLY HA2 H 84 3.900 3.988 -0.088 1 1 956 . 8 1 1 A 84 84 GLY HA3 H 84 3.900 3.988 -0.088 1 1 957 . 8 1 1 A 84 84 GLY CA C 84 45.300 45.128 0.172 1 1 958 . 8 1 1 A 84 84 GLY N N 84 110.400 108.930 1.470 1 1 959 . 8 1 1 A 85 85 TYR H H 85 8.000 9.010 -1.010 1 1 960 . 8 1 1 A 85 85 TYR HA H 85 4.600 4.719 -0.119 1 1 967 . 8 1 1 A 85 85 TYR CA C 85 57.900 56.823 1.077 1 1 968 . 8 1 1 A 85 85 TYR CB C 85 38.700 36.359 2.341 1 1 971 . 8 1 1 A 85 85 TYR N N 85 120.000 126.930 -6.930 1 1 972 . 8 1 1 A 86 86 THR H H 86 8.070 8.291 -0.221 1 1 973 . 8 1 1 A 86 86 THR HA H 86 4.280 4.361 -0.081 1 1 978 . 8 1 1 A 86 86 THR CA C 86 61.600 63.607 -2.007 1 1 979 . 8 1 1 A 86 86 THR CB C 86 69.700 69.132 0.568 1 1 1 . 9 1 1 A 4 4 ASP H H 4 8.270 8.605 -0.335 1 1 2 . 9 1 1 A 4 4 ASP HA H 4 4.550 4.608 -0.058 1 1 5 . 9 1 1 A 4 4 ASP CA C 4 54.700 54.758 -0.058 1 1 6 . 9 1 1 A 4 4 ASP CB C 4 41.400 40.768 0.632 1 1 7 . 9 1 1 A 4 4 ASP N N 4 121.200 120.072 1.128 1 1 8 . 9 1 1 A 5 5 LYS HA H 5 4.160 3.870 0.290 1 1 13 . 9 1 1 A 5 5 LYS CA C 5 58.300 59.969 -1.669 1 1 14 . 9 1 1 A 5 5 LYS CB C 5 32.400 32.132 0.268 1 1 16 . 9 1 1 A 6 6 GLN H H 6 8.170 7.849 0.321 1 1 17 . 9 1 1 A 6 6 GLN HA H 6 4.090 3.963 0.127 1 1 24 . 9 1 1 A 6 6 GLN CA C 6 59.000 59.778 -0.778 1 1 25 . 9 1 1 A 6 6 GLN CB C 6 28.500 28.077 0.423 1 1 27 . 9 1 1 A 6 6 GLN N N 6 117.400 117.906 -0.506 1 1 29 . 9 1 1 A 7 7 LYS H H 7 7.970 8.008 -0.038 1 1 30 . 9 1 1 A 7 7 LYS HA H 7 4.030 4.187 -0.157 1 1 39 . 9 1 1 A 7 7 LYS CA C 7 59.500 58.430 1.070 1 1 40 . 9 1 1 A 7 7 LYS CB C 7 32.500 32.013 0.487 1 1 44 . 9 1 1 A 7 7 LYS N N 7 119.400 119.372 0.028 1 1 45 . 9 1 1 A 8 8 ALA H H 8 7.980 8.102 -0.122 1 1 46 . 9 1 1 A 8 8 ALA HA H 8 4.110 4.141 -0.031 1 1 50 . 9 1 1 A 8 8 ALA CA C 8 55.000 55.008 -0.008 1 1 51 . 9 1 1 A 8 8 ALA CB C 8 18.100 18.274 -0.174 1 1 52 . 9 1 1 A 8 8 ALA N N 8 123.300 122.273 1.027 1 1 53 . 9 1 1 A 9 9 ILE H H 9 8.070 8.121 -0.051 1 1 54 . 9 1 1 A 9 9 ILE HA H 9 3.760 3.665 0.095 1 1 64 . 9 1 1 A 9 9 ILE CA C 9 63.800 65.163 -1.363 1 1 65 . 9 1 1 A 9 9 ILE CB C 9 38.900 37.616 1.284 1 1 69 . 9 1 1 A 9 9 ILE N N 9 119.200 119.994 -0.794 1 1 70 . 9 1 1 A 10 10 PHE H H 10 8.020 8.555 -0.535 1 1 71 . 9 1 1 A 10 10 PHE HA H 10 4.720 3.986 0.734 1 1 79 . 9 1 1 A 10 10 PHE CA C 10 60.400 62.138 -1.738 1 1 80 . 9 1 1 A 10 10 PHE CB C 10 39.400 38.845 0.555 1 1 84 . 9 1 1 A 10 10 PHE N N 10 118.900 121.315 -2.415 1 1 85 . 9 1 1 A 11 11 SER H H 11 8.420 8.585 -0.165 1 1 86 . 9 1 1 A 11 11 SER HA H 11 3.890 4.040 -0.150 1 1 89 . 9 1 1 A 11 11 SER CA C 11 62.000 61.710 0.290 1 1 90 . 9 1 1 A 11 11 SER CB C 11 62.800 62.498 0.302 1 1 91 . 9 1 1 A 11 11 SER N N 11 112.700 113.852 -1.152 1 1 92 . 9 1 1 A 12 12 GLU H H 12 8.050 8.319 -0.269 1 1 93 . 9 1 1 A 12 12 GLU HA H 12 4.130 3.990 0.140 1 1 98 . 9 1 1 A 12 12 GLU CA C 12 59.400 59.468 -0.068 1 1 99 . 9 1 1 A 12 12 GLU CB C 12 29.100 29.179 -0.079 1 1 101 . 9 1 1 A 12 12 GLU N N 12 123.000 122.206 0.794 1 1 102 . 9 1 1 A 13 13 ASN H H 13 8.390 8.525 -0.135 1 1 103 . 9 1 1 A 13 13 ASN HA H 13 4.470 4.301 0.169 1 1 108 . 9 1 1 A 13 13 ASN CA C 13 55.700 56.192 -0.492 1 1 109 . 9 1 1 A 13 13 ASN CB C 13 37.900 38.469 -0.569 1 1 110 . 9 1 1 A 13 13 ASN N N 13 119.100 118.894 0.206 1 1 112 . 9 1 1 A 14 14 LEU H H 14 9.170 8.005 1.165 1 1 113 . 9 1 1 A 14 14 LEU HA H 14 3.860 4.037 -0.177 1 1 123 . 9 1 1 A 14 14 LEU CA C 14 58.800 57.931 0.869 1 1 124 . 9 1 1 A 14 14 LEU CB C 14 41.100 40.946 0.154 1 1 128 . 9 1 1 A 14 14 LEU N N 14 122.200 121.325 0.875 1 1 129 . 9 1 1 A 15 15 ASN H H 15 8.700 8.504 0.196 1 1 130 . 9 1 1 A 15 15 ASN HA H 15 4.520 4.447 0.073 1 1 135 . 9 1 1 A 15 15 ASN CA C 15 56.600 56.537 0.063 1 1 136 . 9 1 1 A 15 15 ASN CB C 15 37.900 39.771 -1.871 1 1 137 . 9 1 1 A 15 15 ASN N N 15 115.400 117.706 -2.306 1 1 139 . 9 1 1 A 16 16 SER H H 16 7.860 7.706 0.154 1 1 140 . 9 1 1 A 16 16 SER HA H 16 4.250 4.046 0.204 1 1 143 . 9 1 1 A 16 16 SER CA C 16 61.400 62.214 -0.814 1 1 144 . 9 1 1 A 16 16 SER CB C 16 62.100 63.034 -0.934 1 1 145 . 9 1 1 A 16 16 SER N N 16 117.600 116.101 1.499 1 1 146 . 9 1 1 A 17 17 TYR H H 17 7.740 7.201 0.539 1 1 147 . 9 1 1 A 17 17 TYR HA H 17 3.900 4.266 -0.366 1 1 154 . 9 1 1 A 17 17 TYR CA C 17 63.500 60.954 2.546 1 1 155 . 9 1 1 A 17 17 TYR CB C 17 35.600 37.746 -2.146 1 1 158 . 9 1 1 A 17 17 TYR N N 17 120.700 119.296 1.404 1 1 159 . 9 1 1 A 18 18 ILE H H 18 8.660 8.016 0.644 1 1 160 . 9 1 1 A 18 18 ILE HA H 18 3.710 3.923 -0.213 1 1 170 . 9 1 1 A 18 18 ILE CA C 18 66.400 65.374 1.026 1 1 171 . 9 1 1 A 18 18 ILE CB C 18 38.300 38.901 -0.601 1 1 175 . 9 1 1 A 18 18 ILE N N 18 121.800 120.544 1.256 1 1 176 . 9 1 1 A 19 19 ALA H H 19 8.010 8.267 -0.257 1 1 177 . 9 1 1 A 19 19 ALA HA H 19 4.220 4.252 -0.032 1 1 181 . 9 1 1 A 19 19 ALA CA C 19 55.000 53.908 1.092 1 1 182 . 9 1 1 A 19 19 ALA CB C 19 17.800 18.405 -0.605 1 1 183 . 9 1 1 A 19 19 ALA N N 19 121.900 122.524 -0.624 1 1 184 . 9 1 1 A 20 20 LYS H H 20 7.650 7.923 -0.273 1 1 185 . 9 1 1 A 20 20 LYS HA H 20 4.200 4.308 -0.108 1 1 194 . 9 1 1 A 20 20 LYS CA C 20 57.900 57.557 0.343 1 1 195 . 9 1 1 A 20 20 LYS CB C 20 33.000 32.776 0.224 1 1 199 . 9 1 1 A 20 20 LYS N N 20 116.500 117.446 -0.946 1 1 200 . 9 1 1 A 21 21 SER H H 21 8.000 7.458 0.542 1 1 201 . 9 1 1 A 21 21 SER HA H 21 4.460 4.627 -0.167 1 1 204 . 9 1 1 A 21 21 SER CA C 21 60.100 56.800 3.300 1 1 205 . 9 1 1 A 21 21 SER CB C 21 64.700 65.025 -0.325 1 1 206 . 9 1 1 A 21 21 SER N N 21 114.400 116.530 -2.130 1 1 207 . 9 1 1 A 22 22 GLU H H 22 7.970 8.656 -0.686 1 1 208 . 9 1 1 A 22 22 GLU HA H 22 4.140 4.311 -0.171 1 1 213 . 9 1 1 A 22 22 GLU CA C 22 57.900 57.621 0.279 1 1 214 . 9 1 1 A 22 22 GLU CB C 22 27.700 30.000 -2.300 1 1 216 . 9 1 1 A 22 22 GLU N N 22 116.000 123.326 -7.326 1 1 217 . 9 1 1 A 23 23 LYS H H 23 8.070 7.560 0.510 1 1 218 . 9 1 1 A 23 23 LYS HA H 23 4.730 4.407 0.323 1 1 227 . 9 1 1 A 23 23 LYS CA C 23 53.800 56.023 -2.223 1 1 228 . 9 1 1 A 23 23 LYS CB C 23 34.300 33.030 1.270 1 1 232 . 9 1 1 A 23 23 LYS N N 23 119.500 119.732 -0.232 1 1 233 . 9 1 1 A 24 24 THR H H 24 8.690 8.988 -0.298 1 1 234 . 9 1 1 A 24 24 THR HA H 24 4.460 4.765 -0.305 1 1 239 . 9 1 1 A 24 24 THR CA C 24 60.200 60.745 -0.545 1 1 240 . 9 1 1 A 24 24 THR CB C 24 71.200 71.567 -0.367 1 1 242 . 9 1 1 A 24 24 THR N N 24 109.900 117.483 -7.583 1 1 243 . 9 1 1 A 25 25 GLN H H 25 8.840 8.949 -0.109 1 1 244 . 9 1 1 A 25 25 GLN HA H 25 3.640 3.876 -0.236 1 1 251 . 9 1 1 A 25 25 GLN CA C 25 59.900 59.002 0.898 1 1 252 . 9 1 1 A 25 25 GLN CB C 25 28.300 28.372 -0.072 1 1 254 . 9 1 1 A 25 25 GLN N N 25 118.500 121.191 -2.691 1 1 256 . 9 1 1 A 26 26 LEU H H 26 7.690 8.235 -0.545 1 1 257 . 9 1 1 A 26 26 LEU HA H 26 3.790 4.016 -0.226 1 1 267 . 9 1 1 A 26 26 LEU CA C 26 57.900 57.726 0.174 1 1 268 . 9 1 1 A 26 26 LEU CB C 26 41.800 41.488 0.312 1 1 272 . 9 1 1 A 26 26 LEU N N 26 116.000 121.305 -5.305 1 1 273 . 9 1 1 A 27 27 GLU H H 27 7.540 7.646 -0.106 1 1 274 . 9 1 1 A 27 27 GLU HA H 27 3.880 4.013 -0.133 1 1 279 . 9 1 1 A 27 27 GLU CA C 27 58.800 59.402 -0.602 1 1 280 . 9 1 1 A 27 27 GLU CB C 27 29.500 29.255 0.245 1 1 282 . 9 1 1 A 27 27 GLU N N 27 118.200 118.566 -0.366 1 1 283 . 9 1 1 A 28 28 ILE H H 28 7.710 7.815 -0.105 1 1 284 . 9 1 1 A 28 28 ILE HA H 28 2.970 3.263 -0.293 1 1 294 . 9 1 1 A 28 28 ILE CA C 28 65.100 64.867 0.233 1 1 295 . 9 1 1 A 28 28 ILE CB C 28 37.400 37.463 -0.063 1 1 299 . 9 1 1 A 28 28 ILE N N 28 121.400 120.691 0.709 1 1 300 . 9 1 1 A 29 29 ALA H H 29 7.690 7.729 -0.039 1 1 301 . 9 1 1 A 29 29 ALA HA H 29 3.230 3.662 -0.432 1 1 305 . 9 1 1 A 29 29 ALA CA C 29 55.300 55.443 -0.143 1 1 306 . 9 1 1 A 29 29 ALA CB C 29 16.300 17.720 -1.420 1 1 307 . 9 1 1 A 29 29 ALA N N 29 120.500 121.341 -0.841 1 1 308 . 9 1 1 A 30 30 LYS H H 30 7.580 7.570 0.010 1 1 309 . 9 1 1 A 30 30 LYS HA H 30 4.050 3.981 0.069 1 1 318 . 9 1 1 A 30 30 LYS CA C 30 58.800 59.107 -0.307 1 1 319 . 9 1 1 A 30 30 LYS CB C 30 32.000 32.127 -0.127 1 1 323 . 9 1 1 A 30 30 LYS N N 30 114.800 117.637 -2.837 1 1 324 . 9 1 1 A 31 31 SER H H 31 7.680 7.572 0.108 1 1 325 . 9 1 1 A 31 31 SER HA H 31 4.220 4.165 0.055 1 1 328 . 9 1 1 A 31 31 SER CA C 31 62.300 62.063 0.237 1 1 329 . 9 1 1 A 31 31 SER CB C 31 63.300 62.675 0.625 1 1 330 . 9 1 1 A 31 31 SER N N 31 115.800 116.616 -0.816 1 1 331 . 9 1 1 A 32 32 ILE H H 32 7.800 7.464 0.336 1 1 332 . 9 1 1 A 32 32 ILE HA H 32 4.400 3.863 0.537 1 1 342 . 9 1 1 A 32 32 ILE CA C 32 60.300 62.992 -2.692 1 1 343 . 9 1 1 A 32 32 ILE CB C 32 37.500 38.616 -1.116 1 1 347 . 9 1 1 A 32 32 ILE N N 32 113.800 117.226 -3.426 1 1 348 . 9 1 1 A 33 33 GLY H H 33 7.880 8.133 -0.253 1 1 349 . 9 1 1 A 33 33 GLY HA2 H 33 3.890 4.027 -0.137 1 1 350 . 9 1 1 A 33 33 GLY HA3 H 33 4.040 4.049 -0.009 1 1 351 . 9 1 1 A 33 33 GLY CA C 33 46.800 45.043 1.757 1 1 352 . 9 1 1 A 33 33 GLY N N 33 110.500 108.587 1.913 1 1 353 . 9 1 1 A 34 34 VAL H H 34 7.910 7.609 0.301 1 1 354 . 9 1 1 A 34 34 VAL HA H 34 4.720 4.788 -0.068 1 1 362 . 9 1 1 A 34 34 VAL CA C 34 58.700 59.330 -0.630 1 1 363 . 9 1 1 A 34 34 VAL CB C 34 35.500 35.466 0.034 1 1 366 . 9 1 1 A 34 34 VAL N N 34 113.500 115.722 -2.222 1 1 367 . 9 1 1 A 35 35 SER H H 35 8.650 8.649 0.001 1 1 368 . 9 1 1 A 35 35 SER HA H 35 4.580 4.728 -0.148 1 1 371 . 9 1 1 A 35 35 SER CA C 35 55.900 56.873 -0.973 1 1 372 . 9 1 1 A 35 35 SER CB C 35 62.800 62.940 -0.140 1 1 373 . 9 1 1 A 35 35 SER N N 35 118.400 117.379 1.021 1 1 374 . 9 1 1 A 36 36 PRO HA H 36 3.950 4.288 -0.338 1 1 381 . 9 1 1 A 36 36 PRO CA C 36 65.100 65.110 -0.010 1 1 382 . 9 1 1 A 36 36 PRO CB C 36 31.500 31.998 -0.498 1 1 385 . 9 1 1 A 37 37 GLN H H 37 8.300 8.195 0.105 1 1 386 . 9 1 1 A 37 37 GLN HA H 37 4.030 4.048 -0.018 1 1 393 . 9 1 1 A 37 37 GLN CA C 37 59.400 58.814 0.586 1 1 394 . 9 1 1 A 37 37 GLN CB C 37 27.400 28.459 -1.059 1 1 396 . 9 1 1 A 37 37 GLN N N 37 117.300 117.640 -0.340 1 1 398 . 9 1 1 A 38 38 THR H H 38 7.790 7.772 0.018 1 1 399 . 9 1 1 A 38 38 THR HA H 38 3.590 3.707 -0.117 1 1 404 . 9 1 1 A 38 38 THR CA C 38 66.000 66.253 -0.253 1 1 405 . 9 1 1 A 38 38 THR CB C 38 67.900 68.354 -0.454 1 1 407 . 9 1 1 A 38 38 THR N N 38 119.500 118.257 1.243 1 1 408 . 9 1 1 A 39 39 PHE H H 39 8.150 7.860 0.290 1 1 409 . 9 1 1 A 39 39 PHE HA H 39 2.690 3.624 -0.934 1 1 417 . 9 1 1 A 39 39 PHE CA C 39 60.700 61.287 -0.587 1 1 418 . 9 1 1 A 39 39 PHE CB C 39 39.500 39.033 0.467 1 1 422 . 9 1 1 A 39 39 PHE N N 39 123.200 122.029 1.171 1 1 423 . 9 1 1 A 40 40 ASN H H 40 8.270 8.343 -0.073 1 1 424 . 9 1 1 A 40 40 ASN HA H 40 4.410 4.489 -0.079 1 1 429 . 9 1 1 A 40 40 ASN CA C 40 56.800 56.303 0.497 1 1 430 . 9 1 1 A 40 40 ASN CB C 40 38.700 39.158 -0.458 1 1 431 . 9 1 1 A 40 40 ASN N N 40 115.400 116.872 -1.472 1 1 433 . 9 1 1 A 41 41 THR H H 41 7.520 7.546 -0.026 1 1 434 . 9 1 1 A 41 41 THR HA H 41 4.010 3.955 0.055 1 1 439 . 9 1 1 A 41 41 THR CA C 41 66.000 65.778 0.222 1 1 440 . 9 1 1 A 41 41 THR CB C 41 69.100 67.718 1.382 1 1 442 . 9 1 1 A 41 41 THR N N 41 109.700 113.610 -3.910 1 1 443 . 9 1 1 A 42 42 TRP H H 42 7.190 6.957 0.233 1 1 444 . 9 1 1 A 42 42 TRP HA H 42 5.420 4.502 0.918 1 1 453 . 9 1 1 A 42 42 TRP CA C 42 56.300 59.560 -3.260 1 1 454 . 9 1 1 A 42 42 TRP CB C 42 28.400 29.368 -0.968 1 1 460 . 9 1 1 A 42 42 TRP N N 42 124.000 121.267 2.733 1 1 462 . 9 1 1 A 43 43 CYS H H 43 7.610 7.927 -0.317 1 1 463 . 9 1 1 A 43 43 CYS HA H 43 4.090 4.135 -0.045 1 1 466 . 9 1 1 A 43 43 CYS CA C 43 62.600 62.610 -0.010 1 1 467 . 9 1 1 A 43 43 CYS CB C 43 27.600 27.045 0.555 1 1 468 . 9 1 1 A 43 43 CYS N N 43 117.200 119.225 -2.025 1 1 469 . 9 1 1 A 44 44 LYS H H 44 7.870 7.653 0.217 1 1 470 . 9 1 1 A 44 44 LYS HA H 44 4.410 4.346 0.064 1 1 479 . 9 1 1 A 44 44 LYS CA C 44 55.500 55.884 -0.384 1 1 480 . 9 1 1 A 44 44 LYS CB C 44 33.100 32.982 0.118 1 1 484 . 9 1 1 A 44 44 LYS N N 44 115.700 117.615 -1.915 1 1 485 . 9 1 1 A 45 45 GLY H H 45 7.800 7.867 -0.067 1 1 486 . 9 1 1 A 45 45 GLY HA2 H 45 3.980 3.976 0.004 1 1 487 . 9 1 1 A 45 45 GLY HA3 H 45 4.200 4.037 0.163 1 1 488 . 9 1 1 A 45 45 GLY CA C 45 46.100 46.805 -0.705 1 1 489 . 9 1 1 A 45 45 GLY N N 45 107.200 107.788 -0.588 1 1 490 . 9 1 1 A 46 46 ILE H H 46 7.890 8.494 -0.604 1 1 491 . 9 1 1 A 46 46 ILE HA H 46 4.110 3.981 0.129 1 1 501 . 9 1 1 A 46 46 ILE CA C 46 61.600 64.323 -2.723 1 1 502 . 9 1 1 A 46 46 ILE CB C 46 39.100 38.154 0.946 1 1 506 . 9 1 1 A 46 46 ILE N N 46 115.700 118.263 -2.563 1 1 507 . 9 1 1 A 47 47 ALA H H 47 7.540 7.863 -0.323 1 1 508 . 9 1 1 A 47 47 ALA HA H 47 4.590 4.794 -0.204 1 1 512 . 9 1 1 A 47 47 ALA CA C 47 50.700 50.954 -0.254 1 1 513 . 9 1 1 A 47 47 ALA CB C 47 22.600 23.235 -0.635 1 1 514 . 9 1 1 A 47 47 ALA N N 47 121.600 119.067 2.533 1 1 515 . 9 1 1 A 48 48 ILE H H 48 8.260 8.878 -0.618 1 1 516 . 9 1 1 A 48 48 ILE HA H 48 4.080 4.486 -0.406 1 1 526 . 9 1 1 A 48 48 ILE CA C 48 56.600 56.969 -0.369 1 1 527 . 9 1 1 A 48 48 ILE CB C 48 40.800 41.037 -0.237 1 1 531 . 9 1 1 A 48 48 ILE N N 48 118.900 118.729 0.171 1 1 532 . 9 1 1 A 49 49 PRO HA H 49 4.230 4.583 -0.353 1 1 539 . 9 1 1 A 49 49 PRO CA C 49 61.300 62.234 -0.934 1 1 540 . 9 1 1 A 49 49 PRO CB C 49 31.900 31.805 0.095 1 1 543 . 9 1 1 A 50 50 ARG H H 50 8.130 8.898 -0.768 1 1 544 . 9 1 1 A 50 50 ARG HA H 50 4.170 4.568 -0.398 1 1 551 . 9 1 1 A 50 50 ARG CA C 50 55.600 55.188 0.412 1 1 552 . 9 1 1 A 50 50 ARG CB C 50 30.500 31.292 -0.792 1 1 555 . 9 1 1 A 50 50 ARG N N 50 115.900 121.606 -5.706 1 1 556 . 9 1 1 A 51 51 MET H H 51 8.680 8.925 -0.245 1 1 557 . 9 1 1 A 51 51 MET HA H 51 4.120 4.140 -0.020 1 1 565 . 9 1 1 A 51 51 MET CA C 51 57.700 58.291 -0.591 1 1 566 . 9 1 1 A 51 51 MET CB C 51 31.200 32.082 -0.882 1 1 569 . 9 1 1 A 51 51 MET N N 51 120.000 121.431 -1.431 1 1 570 . 9 1 1 A 52 52 GLY HA2 H 52 4.000 3.770 0.230 1 1 571 . 9 1 1 A 52 52 GLY HA3 H 52 3.920 3.775 0.145 1 1 572 . 9 1 1 A 52 52 GLY CA C 52 46.800 47.312 -0.512 1 1 573 . 9 1 1 A 53 53 LYS H H 53 7.520 7.802 -0.282 1 1 574 . 9 1 1 A 53 53 LYS HA H 53 4.450 4.264 0.186 1 1 583 . 9 1 1 A 53 53 LYS CA C 53 56.200 58.271 -2.071 1 1 584 . 9 1 1 A 53 53 LYS CB C 53 32.200 32.861 -0.661 1 1 588 . 9 1 1 A 53 53 LYS N N 53 119.900 122.290 -2.390 1 1 589 . 9 1 1 A 54 54 VAL H H 54 7.650 7.987 -0.337 1 1 590 . 9 1 1 A 54 54 VAL HA H 54 3.420 3.507 -0.087 1 1 598 . 9 1 1 A 54 54 VAL CA C 54 67.600 66.558 1.042 1 1 599 . 9 1 1 A 54 54 VAL CB C 54 30.600 31.204 -0.604 1 1 602 . 9 1 1 A 54 54 VAL N N 54 121.300 120.036 1.264 1 1 603 . 9 1 1 A 55 55 GLN H H 55 8.460 8.043 0.417 1 1 604 . 9 1 1 A 55 55 GLN HA H 55 3.790 4.080 -0.290 1 1 611 . 9 1 1 A 55 55 GLN CA C 55 58.000 59.215 -1.215 1 1 612 . 9 1 1 A 55 55 GLN CB C 55 28.200 28.415 -0.215 1 1 614 . 9 1 1 A 55 55 GLN N N 55 118.100 118.692 -0.592 1 1 616 . 9 1 1 A 56 56 ALA H H 56 7.550 7.851 -0.301 1 1 617 . 9 1 1 A 56 56 ALA HA H 56 4.310 4.008 0.302 1 1 621 . 9 1 1 A 56 56 ALA CA C 56 55.100 55.019 0.081 1 1 622 . 9 1 1 A 56 56 ALA CB C 56 18.100 18.107 -0.007 1 1 623 . 9 1 1 A 56 56 ALA N N 56 120.300 123.307 -3.007 1 1 624 . 9 1 1 A 57 57 LEU H H 57 8.170 8.395 -0.225 1 1 625 . 9 1 1 A 57 57 LEU HA H 57 3.950 3.985 -0.035 1 1 635 . 9 1 1 A 57 57 LEU CA C 57 57.500 58.153 -0.653 1 1 636 . 9 1 1 A 57 57 LEU CB C 57 43.500 41.854 1.646 1 1 640 . 9 1 1 A 57 57 LEU N N 57 120.100 118.925 1.175 1 1 641 . 9 1 1 A 58 58 ALA H H 58 8.430 8.606 -0.176 1 1 642 . 9 1 1 A 58 58 ALA HA H 58 3.820 4.109 -0.289 1 1 646 . 9 1 1 A 58 58 ALA CA C 58 54.600 54.789 -0.189 1 1 647 . 9 1 1 A 58 58 ALA CB C 58 16.400 18.110 -1.710 1 1 648 . 9 1 1 A 58 58 ALA N N 58 122.600 121.179 1.421 1 1 649 . 9 1 1 A 59 59 ASP H H 59 8.790 8.025 0.765 1 1 650 . 9 1 1 A 59 59 ASP HA H 59 4.440 4.399 0.041 1 1 653 . 9 1 1 A 59 59 ASP CA C 59 57.000 57.348 -0.348 1 1 654 . 9 1 1 A 59 59 ASP CB C 59 39.800 40.855 -1.055 1 1 655 . 9 1 1 A 59 59 ASP N N 59 117.900 119.301 -1.401 1 1 656 . 9 1 1 A 60 60 TYR H H 60 8.050 7.861 0.189 1 1 657 . 9 1 1 A 60 60 TYR HA H 60 3.820 4.152 -0.332 1 1 664 . 9 1 1 A 60 60 TYR CA C 60 62.000 61.112 0.888 1 1 665 . 9 1 1 A 60 60 TYR CB C 60 38.200 38.260 -0.060 1 1 668 . 9 1 1 A 60 60 TYR N N 60 122.300 120.534 1.766 1 1 669 . 9 1 1 A 61 61 PHE H H 61 7.860 7.609 0.251 1 1 670 . 9 1 1 A 61 61 PHE HA H 61 4.530 4.560 -0.030 1 1 678 . 9 1 1 A 61 61 PHE CA C 61 58.000 57.464 0.536 1 1 679 . 9 1 1 A 61 61 PHE CB C 61 39.800 39.167 0.633 1 1 683 . 9 1 1 A 61 61 PHE N N 61 114.100 114.541 -0.441 1 1 684 . 9 1 1 A 62 62 ASN H H 62 8.040 8.018 0.022 1 1 685 . 9 1 1 A 62 62 ASN HA H 62 4.420 4.286 0.134 1 1 690 . 9 1 1 A 62 62 ASN CA C 62 54.200 54.439 -0.239 1 1 691 . 9 1 1 A 62 62 ASN CB C 62 36.800 36.608 0.192 1 1 692 . 9 1 1 A 62 62 ASN N N 62 118.100 114.204 3.896 1 1 694 . 9 1 1 A 63 63 ILE H H 63 8.360 7.810 0.550 1 1 695 . 9 1 1 A 63 63 ILE HA H 63 4.710 4.803 -0.093 1 1 705 . 9 1 1 A 63 63 ILE CA C 63 59.600 58.392 1.208 1 1 706 . 9 1 1 A 63 63 ILE CB C 63 39.700 41.614 -1.914 1 1 710 . 9 1 1 A 63 63 ILE N N 63 112.700 112.276 0.424 1 1 711 . 9 1 1 A 64 64 ASN H H 64 8.860 8.768 0.092 1 1 712 . 9 1 1 A 64 64 ASN HA H 64 4.990 5.042 -0.052 1 1 717 . 9 1 1 A 64 64 ASN CA C 64 52.100 52.123 -0.023 1 1 718 . 9 1 1 A 64 64 ASN CB C 64 40.600 39.806 0.794 1 1 719 . 9 1 1 A 64 64 ASN N N 64 117.400 120.037 -2.637 1 1 721 . 9 1 1 A 65 65 LYS H H 65 9.250 8.903 0.347 1 1 722 . 9 1 1 A 65 65 LYS HA H 65 3.720 4.058 -0.338 1 1 731 . 9 1 1 A 65 65 LYS CA C 65 60.900 59.084 1.816 1 1 732 . 9 1 1 A 65 65 LYS CB C 65 31.200 32.053 -0.853 1 1 736 . 9 1 1 A 65 65 LYS N N 65 123.200 122.093 1.107 1 1 737 . 9 1 1 A 66 66 SER H H 66 8.700 8.078 0.622 1 1 738 . 9 1 1 A 66 66 SER HA H 66 4.050 4.089 -0.039 1 1 741 . 9 1 1 A 66 66 SER CA C 66 61.200 62.128 -0.928 1 1 742 . 9 1 1 A 66 66 SER CB C 66 62.200 62.799 -0.599 1 1 743 . 9 1 1 A 66 66 SER N N 66 114.300 117.836 -3.536 1 1 744 . 9 1 1 A 67 67 ASP H H 67 7.510 8.331 -0.821 1 1 745 . 9 1 1 A 67 67 ASP HA H 67 4.500 4.452 0.048 1 1 748 . 9 1 1 A 67 67 ASP CA C 67 56.700 57.037 -0.337 1 1 749 . 9 1 1 A 67 67 ASP CB C 67 41.000 40.288 0.712 1 1 750 . 9 1 1 A 67 67 ASP N N 67 119.800 122.707 -2.907 1 1 751 . 9 1 1 A 68 68 LEU H H 68 7.440 7.413 0.027 1 1 752 . 9 1 1 A 68 68 LEU HA H 68 4.500 4.237 0.263 1 1 762 . 9 1 1 A 68 68 LEU CA C 68 55.700 56.771 -1.071 1 1 763 . 9 1 1 A 68 68 LEU CB C 68 43.500 42.183 1.317 1 1 767 . 9 1 1 A 68 68 LEU N N 68 113.800 118.003 -4.203 1 1 768 . 9 1 1 A 69 69 ILE H H 69 7.500 7.357 0.143 1 1 769 . 9 1 1 A 69 69 ILE HA H 69 4.390 4.231 0.159 1 1 779 . 9 1 1 A 69 69 ILE CA C 69 61.700 63.304 -1.604 1 1 780 . 9 1 1 A 69 69 ILE CB C 69 39.600 39.392 0.208 1 1 784 . 9 1 1 A 69 69 ILE N N 69 112.800 116.588 -3.788 1 1 785 . 9 1 1 A 70 70 GLU H H 70 7.680 7.693 -0.013 1 1 786 . 9 1 1 A 70 70 GLU HA H 70 4.500 4.452 0.048 1 1 791 . 9 1 1 A 70 70 GLU CA C 70 55.200 56.028 -0.828 1 1 792 . 9 1 1 A 70 70 GLU CB C 70 30.800 30.756 0.044 1 1 794 . 9 1 1 A 70 70 GLU N N 70 118.300 119.771 -1.471 1 1 795 . 9 1 1 A 71 71 ASP H H 71 8.660 8.602 0.058 1 1 796 . 9 1 1 A 71 71 ASP HA H 71 4.640 4.772 -0.132 1 1 799 . 9 1 1 A 71 71 ASP CA C 71 53.400 54.093 -0.693 1 1 800 . 9 1 1 A 71 71 ASP CB C 71 40.800 42.091 -1.291 1 1 801 . 9 1 1 A 71 71 ASP N N 71 121.100 124.311 -3.211 1 1 802 . 9 1 1 A 72 72 LYS H H 72 8.980 8.811 0.169 1 1 803 . 9 1 1 A 72 72 LYS HA H 72 4.270 4.094 0.176 1 1 812 . 9 1 1 A 72 72 LYS CA C 72 56.400 58.570 -2.170 1 1 813 . 9 1 1 A 72 72 LYS CB C 72 32.400 31.974 0.426 1 1 817 . 9 1 1 A 72 72 LYS N N 72 126.200 122.313 3.887 1 1 818 . 9 1 1 A 73 73 LYS H H 73 8.460 7.729 0.731 1 1 819 . 9 1 1 A 73 73 LYS HA H 73 4.180 4.312 -0.132 1 1 828 . 9 1 1 A 73 73 LYS CA C 73 56.500 56.947 -0.447 1 1 829 . 9 1 1 A 73 73 LYS CB C 73 31.600 32.248 -0.648 1 1 833 . 9 1 1 A 73 73 LYS N N 73 120.300 118.013 2.287 1 1 834 . 9 1 1 A 74 74 LEU H H 74 7.910 7.824 0.086 1 1 835 . 9 1 1 A 74 74 LEU HA H 74 4.260 4.456 -0.196 1 1 845 . 9 1 1 A 74 74 LEU CA C 74 55.000 54.014 0.986 1 1 846 . 9 1 1 A 74 74 LEU CB C 74 42.200 41.369 0.831 1 1 850 . 9 1 1 A 74 74 LEU N N 74 120.900 117.369 3.531 1 1 851 . 9 1 1 A 75 75 ASN H H 75 8.320 7.580 0.740 1 1 852 . 9 1 1 A 75 75 ASN HA H 75 4.710 4.751 -0.041 1 1 857 . 9 1 1 A 75 75 ASN CA C 75 53.000 53.386 -0.386 1 1 858 . 9 1 1 A 75 75 ASN CB C 75 38.700 38.675 0.025 1 1 859 . 9 1 1 A 75 75 ASN N N 75 119.300 118.132 1.168 1 1 861 . 9 1 1 A 76 76 ILE H H 76 8.010 8.328 -0.318 1 1 862 . 9 1 1 A 76 76 ILE HA H 76 4.180 4.107 0.073 1 1 872 . 9 1 1 A 76 76 ILE CA C 76 61.000 62.345 -1.345 1 1 873 . 9 1 1 A 76 76 ILE CB C 76 38.700 37.205 1.495 1 1 877 . 9 1 1 A 76 76 ILE N N 76 120.200 122.759 -2.559 1 1 878 . 9 1 1 A 77 77 ASP H H 77 8.390 8.905 -0.515 1 1 879 . 9 1 1 A 77 77 ASP HA H 77 4.660 4.809 -0.149 1 1 882 . 9 1 1 A 77 77 ASP CA C 77 54.200 53.756 0.444 1 1 883 . 9 1 1 A 77 77 ASP CB C 77 41.100 42.874 -1.774 1 1 884 . 9 1 1 A 77 77 ASP N N 77 123.500 126.994 -3.494 1 1 885 . 9 1 1 A 78 78 THR H H 78 8.010 8.585 -0.575 1 1 886 . 9 1 1 A 78 78 THR HA H 78 4.310 3.881 0.429 1 1 891 . 9 1 1 A 78 78 THR CA C 78 61.600 63.277 -1.677 1 1 892 . 9 1 1 A 78 78 THR CB C 78 69.700 66.627 3.073 1 1 894 . 9 1 1 A 78 78 THR N N 78 114.200 119.000 -4.800 1 1 895 . 9 1 1 A 79 79 VAL H H 79 8.090 7.668 0.422 1 1 896 . 9 1 1 A 79 79 VAL HA H 79 4.390 4.522 -0.132 1 1 904 . 9 1 1 A 79 79 VAL CA C 79 59.900 59.093 0.807 1 1 905 . 9 1 1 A 79 79 VAL CB C 79 32.400 32.887 -0.487 1 1 908 . 9 1 1 A 79 79 VAL N N 79 124.000 120.943 3.057 1 1 909 . 9 1 1 A 80 80 PRO HA H 80 4.420 4.787 -0.367 1 1 916 . 9 1 1 A 80 80 PRO CA C 80 62.900 62.374 0.526 1 1 917 . 9 1 1 A 80 80 PRO CB C 80 31.900 31.801 0.099 1 1 920 . 9 1 1 A 81 81 ILE H H 81 8.210 8.366 -0.156 1 1 921 . 9 1 1 A 81 81 ILE HA H 81 4.110 4.089 0.021 1 1 931 . 9 1 1 A 81 81 ILE CA C 81 61.200 61.823 -0.623 1 1 932 . 9 1 1 A 81 81 ILE CB C 81 38.600 39.078 -0.478 1 1 936 . 9 1 1 A 81 81 ILE N N 81 121.300 123.097 -1.797 1 1 937 . 9 1 1 A 82 82 GLU H H 82 8.510 8.979 -0.469 1 1 938 . 9 1 1 A 82 82 GLU HA H 82 4.300 4.549 -0.249 1 1 943 . 9 1 1 A 82 82 GLU CA C 82 56.300 56.066 0.234 1 1 944 . 9 1 1 A 82 82 GLU CB C 82 30.000 30.226 -0.226 1 1 946 . 9 1 1 A 82 82 GLU N N 82 124.600 128.231 -3.631 1 1 947 . 9 1 1 A 83 83 SER H H 83 8.330 7.962 0.368 1 1 948 . 9 1 1 A 83 83 SER HA H 83 4.400 4.891 -0.491 1 1 951 . 9 1 1 A 83 83 SER CA C 83 58.500 57.408 1.092 1 1 952 . 9 1 1 A 83 83 SER CB C 83 63.600 67.249 -3.649 1 1 953 . 9 1 1 A 83 83 SER N N 83 116.900 114.589 2.311 1 1 954 . 9 1 1 A 84 84 GLY H H 84 8.400 8.610 -0.210 1 1 955 . 9 1 1 A 84 84 GLY HA2 H 84 3.900 3.950 -0.050 1 1 956 . 9 1 1 A 84 84 GLY HA3 H 84 3.900 3.965 -0.065 1 1 957 . 9 1 1 A 84 84 GLY CA C 84 45.300 46.177 -0.877 1 1 958 . 9 1 1 A 84 84 GLY N N 84 110.400 111.684 -1.284 1 1 959 . 9 1 1 A 85 85 TYR H H 85 8.000 8.093 -0.093 1 1 960 . 9 1 1 A 85 85 TYR HA H 85 4.600 4.507 0.093 1 1 967 . 9 1 1 A 85 85 TYR CA C 85 57.900 58.123 -0.223 1 1 968 . 9 1 1 A 85 85 TYR CB C 85 38.700 39.026 -0.326 1 1 971 . 9 1 1 A 85 85 TYR N N 85 120.000 120.456 -0.456 1 1 972 . 9 1 1 A 86 86 THR H H 86 8.070 8.315 -0.245 1 1 973 . 9 1 1 A 86 86 THR HA H 86 4.280 4.458 -0.178 1 1 978 . 9 1 1 A 86 86 THR CA C 86 61.600 61.908 -0.308 1 1 979 . 9 1 1 A 86 86 THR CB C 86 69.700 67.293 2.407 1 1 1 . 10 1 1 A 4 4 ASP H H 4 8.270 8.877 -0.607 1 1 2 . 10 1 1 A 4 4 ASP HA H 4 4.550 4.602 -0.052 1 1 5 . 10 1 1 A 4 4 ASP CA C 4 54.700 54.265 0.435 1 1 6 . 10 1 1 A 4 4 ASP CB C 4 41.400 40.086 1.314 1 1 7 . 10 1 1 A 4 4 ASP N N 4 121.200 126.997 -5.797 1 1 8 . 10 1 1 A 5 5 LYS HA H 5 4.160 4.036 0.124 1 1 13 . 10 1 1 A 5 5 LYS CA C 5 58.300 59.059 -0.759 1 1 14 . 10 1 1 A 5 5 LYS CB C 5 32.400 31.938 0.462 1 1 16 . 10 1 1 A 6 6 GLN H H 6 8.170 8.016 0.154 1 1 17 . 10 1 1 A 6 6 GLN HA H 6 4.090 3.959 0.131 1 1 24 . 10 1 1 A 6 6 GLN CA C 6 59.000 58.949 0.051 1 1 25 . 10 1 1 A 6 6 GLN CB C 6 28.500 28.222 0.278 1 1 27 . 10 1 1 A 6 6 GLN N N 6 117.400 119.020 -1.620 1 1 29 . 10 1 1 A 7 7 LYS H H 7 7.970 7.929 0.041 1 1 30 . 10 1 1 A 7 7 LYS HA H 7 4.030 4.106 -0.076 1 1 39 . 10 1 1 A 7 7 LYS CA C 7 59.500 58.676 0.824 1 1 40 . 10 1 1 A 7 7 LYS CB C 7 32.500 32.187 0.313 1 1 44 . 10 1 1 A 7 7 LYS N N 7 119.400 120.711 -1.311 1 1 45 . 10 1 1 A 8 8 ALA H H 8 7.980 7.746 0.234 1 1 46 . 10 1 1 A 8 8 ALA HA H 8 4.110 4.135 -0.025 1 1 50 . 10 1 1 A 8 8 ALA CA C 8 55.000 54.842 0.158 1 1 51 . 10 1 1 A 8 8 ALA CB C 8 18.100 18.374 -0.274 1 1 52 . 10 1 1 A 8 8 ALA N N 8 123.300 120.933 2.367 1 1 53 . 10 1 1 A 9 9 ILE H H 9 8.070 8.525 -0.455 1 1 54 . 10 1 1 A 9 9 ILE HA H 9 3.760 3.847 -0.087 1 1 64 . 10 1 1 A 9 9 ILE CA C 9 63.800 65.327 -1.527 1 1 65 . 10 1 1 A 9 9 ILE CB C 9 38.900 37.926 0.974 1 1 69 . 10 1 1 A 9 9 ILE N N 9 119.200 119.821 -0.621 1 1 70 . 10 1 1 A 10 10 PHE H H 10 8.020 8.451 -0.431 1 1 71 . 10 1 1 A 10 10 PHE HA H 10 4.720 4.227 0.493 1 1 79 . 10 1 1 A 10 10 PHE CA C 10 60.400 62.171 -1.771 1 1 80 . 10 1 1 A 10 10 PHE CB C 10 39.400 39.006 0.394 1 1 84 . 10 1 1 A 10 10 PHE N N 10 118.900 120.906 -2.006 1 1 85 . 10 1 1 A 11 11 SER H H 11 8.420 8.136 0.284 1 1 86 . 10 1 1 A 11 11 SER HA H 11 3.890 4.095 -0.205 1 1 89 . 10 1 1 A 11 11 SER CA C 11 62.000 61.762 0.238 1 1 90 . 10 1 1 A 11 11 SER CB C 11 62.800 62.639 0.161 1 1 91 . 10 1 1 A 11 11 SER N N 11 112.700 113.722 -1.022 1 1 92 . 10 1 1 A 12 12 GLU H H 12 8.050 8.307 -0.257 1 1 93 . 10 1 1 A 12 12 GLU HA H 12 4.130 3.948 0.182 1 1 98 . 10 1 1 A 12 12 GLU CA C 12 59.400 59.624 -0.224 1 1 99 . 10 1 1 A 12 12 GLU CB C 12 29.100 29.142 -0.042 1 1 101 . 10 1 1 A 12 12 GLU N N 12 123.000 121.783 1.217 1 1 102 . 10 1 1 A 13 13 ASN H H 13 8.390 8.358 0.032 1 1 103 . 10 1 1 A 13 13 ASN HA H 13 4.470 4.174 0.296 1 1 108 . 10 1 1 A 13 13 ASN CA C 13 55.700 56.125 -0.425 1 1 109 . 10 1 1 A 13 13 ASN CB C 13 37.900 38.432 -0.532 1 1 110 . 10 1 1 A 13 13 ASN N N 13 119.100 118.729 0.371 1 1 112 . 10 1 1 A 14 14 LEU H H 14 9.170 7.649 1.521 1 1 113 . 10 1 1 A 14 14 LEU HA H 14 3.860 3.922 -0.062 1 1 123 . 10 1 1 A 14 14 LEU CA C 14 58.800 58.377 0.423 1 1 124 . 10 1 1 A 14 14 LEU CB C 14 41.100 41.147 -0.047 1 1 128 . 10 1 1 A 14 14 LEU N N 14 122.200 121.364 0.836 1 1 129 . 10 1 1 A 15 15 ASN H H 15 8.700 8.610 0.090 1 1 130 . 10 1 1 A 15 15 ASN HA H 15 4.520 4.456 0.064 1 1 135 . 10 1 1 A 15 15 ASN CA C 15 56.600 56.530 0.070 1 1 136 . 10 1 1 A 15 15 ASN CB C 15 37.900 39.610 -1.710 1 1 137 . 10 1 1 A 15 15 ASN N N 15 115.400 117.646 -2.246 1 1 139 . 10 1 1 A 16 16 SER H H 16 7.860 8.069 -0.209 1 1 140 . 10 1 1 A 16 16 SER HA H 16 4.250 4.150 0.100 1 1 143 . 10 1 1 A 16 16 SER CA C 16 61.400 61.957 -0.557 1 1 144 . 10 1 1 A 16 16 SER CB C 16 62.100 63.161 -1.061 1 1 145 . 10 1 1 A 16 16 SER N N 16 117.600 116.564 1.036 1 1 146 . 10 1 1 A 17 17 TYR H H 17 7.740 7.718 0.022 1 1 147 . 10 1 1 A 17 17 TYR HA H 17 3.900 4.308 -0.408 1 1 154 . 10 1 1 A 17 17 TYR CA C 17 63.500 61.325 2.175 1 1 155 . 10 1 1 A 17 17 TYR CB C 17 35.600 37.866 -2.266 1 1 158 . 10 1 1 A 17 17 TYR N N 17 120.700 119.810 0.890 1 1 159 . 10 1 1 A 18 18 ILE H H 18 8.660 8.466 0.194 1 1 160 . 10 1 1 A 18 18 ILE HA H 18 3.710 4.040 -0.330 1 1 170 . 10 1 1 A 18 18 ILE CA C 18 66.400 65.755 0.645 1 1 171 . 10 1 1 A 18 18 ILE CB C 18 38.300 38.321 -0.021 1 1 175 . 10 1 1 A 18 18 ILE N N 18 121.800 120.642 1.158 1 1 176 . 10 1 1 A 19 19 ALA H H 19 8.010 7.997 0.013 1 1 177 . 10 1 1 A 19 19 ALA HA H 19 4.220 4.136 0.084 1 1 181 . 10 1 1 A 19 19 ALA CA C 19 55.000 55.046 -0.046 1 1 182 . 10 1 1 A 19 19 ALA CB C 19 17.800 18.161 -0.361 1 1 183 . 10 1 1 A 19 19 ALA N N 19 121.900 122.132 -0.232 1 1 184 . 10 1 1 A 20 20 LYS H H 20 7.650 7.618 0.032 1 1 185 . 10 1 1 A 20 20 LYS HA H 20 4.200 4.181 0.019 1 1 194 . 10 1 1 A 20 20 LYS CA C 20 57.900 58.971 -1.071 1 1 195 . 10 1 1 A 20 20 LYS CB C 20 33.000 32.638 0.362 1 1 199 . 10 1 1 A 20 20 LYS N N 20 116.500 117.937 -1.437 1 1 200 . 10 1 1 A 21 21 SER H H 21 8.000 8.585 -0.585 1 1 201 . 10 1 1 A 21 21 SER HA H 21 4.460 4.423 0.037 1 1 204 . 10 1 1 A 21 21 SER CA C 21 60.100 61.401 -1.301 1 1 205 . 10 1 1 A 21 21 SER CB C 21 64.700 63.715 0.985 1 1 206 . 10 1 1 A 21 21 SER N N 21 114.400 115.577 -1.177 1 1 207 . 10 1 1 A 22 22 GLU H H 22 7.970 8.152 -0.182 1 1 208 . 10 1 1 A 22 22 GLU HA H 22 4.140 4.046 0.094 1 1 213 . 10 1 1 A 22 22 GLU CA C 22 57.900 57.312 0.588 1 1 214 . 10 1 1 A 22 22 GLU CB C 22 27.700 28.191 -0.491 1 1 216 . 10 1 1 A 22 22 GLU N N 22 116.000 120.435 -4.435 1 1 217 . 10 1 1 A 23 23 LYS H H 23 8.070 7.353 0.717 1 1 218 . 10 1 1 A 23 23 LYS HA H 23 4.730 4.883 -0.153 1 1 227 . 10 1 1 A 23 23 LYS CA C 23 53.800 54.801 -1.001 1 1 228 . 10 1 1 A 23 23 LYS CB C 23 34.300 36.226 -1.926 1 1 232 . 10 1 1 A 23 23 LYS N N 23 119.500 121.412 -1.912 1 1 233 . 10 1 1 A 24 24 THR H H 24 8.690 8.719 -0.029 1 1 234 . 10 1 1 A 24 24 THR HA H 24 4.460 4.472 -0.012 1 1 239 . 10 1 1 A 24 24 THR CA C 24 60.200 61.877 -1.677 1 1 240 . 10 1 1 A 24 24 THR CB C 24 71.200 69.961 1.239 1 1 242 . 10 1 1 A 24 24 THR N N 24 109.900 114.723 -4.823 1 1 243 . 10 1 1 A 25 25 GLN H H 25 8.840 8.716 0.124 1 1 244 . 10 1 1 A 25 25 GLN HA H 25 3.640 3.685 -0.045 1 1 251 . 10 1 1 A 25 25 GLN CA C 25 59.900 59.011 0.889 1 1 252 . 10 1 1 A 25 25 GLN CB C 25 28.300 28.499 -0.199 1 1 254 . 10 1 1 A 25 25 GLN N N 25 118.500 122.721 -4.221 1 1 256 . 10 1 1 A 26 26 LEU H H 26 7.690 7.988 -0.298 1 1 257 . 10 1 1 A 26 26 LEU HA H 26 3.790 3.923 -0.133 1 1 267 . 10 1 1 A 26 26 LEU CA C 26 57.900 57.734 0.166 1 1 268 . 10 1 1 A 26 26 LEU CB C 26 41.800 41.574 0.226 1 1 272 . 10 1 1 A 26 26 LEU N N 26 116.000 120.882 -4.882 1 1 273 . 10 1 1 A 27 27 GLU H H 27 7.540 7.978 -0.438 1 1 274 . 10 1 1 A 27 27 GLU HA H 27 3.880 3.944 -0.064 1 1 279 . 10 1 1 A 27 27 GLU CA C 27 58.800 59.257 -0.457 1 1 280 . 10 1 1 A 27 27 GLU CB C 27 29.500 29.448 0.052 1 1 282 . 10 1 1 A 27 27 GLU N N 27 118.200 119.381 -1.181 1 1 283 . 10 1 1 A 28 28 ILE H H 28 7.710 7.731 -0.021 1 1 284 . 10 1 1 A 28 28 ILE HA H 28 2.970 2.837 0.133 1 1 294 . 10 1 1 A 28 28 ILE CA C 28 65.100 65.155 -0.055 1 1 295 . 10 1 1 A 28 28 ILE CB C 28 37.400 37.584 -0.184 1 1 299 . 10 1 1 A 28 28 ILE N N 28 121.400 119.296 2.104 1 1 300 . 10 1 1 A 29 29 ALA H H 29 7.690 7.909 -0.219 1 1 301 . 10 1 1 A 29 29 ALA HA H 29 3.230 3.879 -0.649 1 1 305 . 10 1 1 A 29 29 ALA CA C 29 55.300 55.330 -0.030 1 1 306 . 10 1 1 A 29 29 ALA CB C 29 16.300 18.137 -1.837 1 1 307 . 10 1 1 A 29 29 ALA N N 29 120.500 121.303 -0.803 1 1 308 . 10 1 1 A 30 30 LYS H H 30 7.580 8.016 -0.436 1 1 309 . 10 1 1 A 30 30 LYS HA H 30 4.050 3.914 0.136 1 1 318 . 10 1 1 A 30 30 LYS CA C 30 58.800 59.264 -0.464 1 1 319 . 10 1 1 A 30 30 LYS CB C 30 32.000 32.286 -0.286 1 1 323 . 10 1 1 A 30 30 LYS N N 30 114.800 119.161 -4.361 1 1 324 . 10 1 1 A 31 31 SER H H 31 7.680 7.893 -0.213 1 1 325 . 10 1 1 A 31 31 SER HA H 31 4.220 4.258 -0.038 1 1 328 . 10 1 1 A 31 31 SER CA C 31 62.300 60.888 1.412 1 1 329 . 10 1 1 A 31 31 SER CB C 31 63.300 63.016 0.284 1 1 330 . 10 1 1 A 31 31 SER N N 31 115.800 113.811 1.989 1 1 331 . 10 1 1 A 32 32 ILE H H 32 7.800 7.222 0.578 1 1 332 . 10 1 1 A 32 32 ILE HA H 32 4.400 4.084 0.316 1 1 342 . 10 1 1 A 32 32 ILE CA C 32 60.300 62.883 -2.583 1 1 343 . 10 1 1 A 32 32 ILE CB C 32 37.500 38.709 -1.209 1 1 347 . 10 1 1 A 32 32 ILE N N 32 113.800 118.625 -4.825 1 1 348 . 10 1 1 A 33 33 GLY H H 33 7.880 8.092 -0.212 1 1 349 . 10 1 1 A 33 33 GLY HA2 H 33 3.890 4.044 -0.154 1 1 350 . 10 1 1 A 33 33 GLY HA3 H 33 4.040 4.064 -0.024 1 1 351 . 10 1 1 A 33 33 GLY CA C 33 46.800 45.081 1.719 1 1 352 . 10 1 1 A 33 33 GLY N N 33 110.500 108.675 1.825 1 1 353 . 10 1 1 A 34 34 VAL H H 34 7.910 7.652 0.258 1 1 354 . 10 1 1 A 34 34 VAL HA H 34 4.720 4.827 -0.107 1 1 362 . 10 1 1 A 34 34 VAL CA C 34 58.700 59.326 -0.626 1 1 363 . 10 1 1 A 34 34 VAL CB C 34 35.500 35.552 -0.052 1 1 366 . 10 1 1 A 34 34 VAL N N 34 113.500 115.792 -2.292 1 1 367 . 10 1 1 A 35 35 SER H H 35 8.650 8.255 0.395 1 1 368 . 10 1 1 A 35 35 SER HA H 35 4.580 4.838 -0.258 1 1 371 . 10 1 1 A 35 35 SER CA C 35 55.900 56.279 -0.379 1 1 372 . 10 1 1 A 35 35 SER CB C 35 62.800 64.079 -1.279 1 1 373 . 10 1 1 A 35 35 SER N N 35 118.400 117.148 1.252 1 1 374 . 10 1 1 A 36 36 PRO HA H 36 3.950 4.222 -0.272 1 1 381 . 10 1 1 A 36 36 PRO CA C 36 65.100 65.226 -0.126 1 1 382 . 10 1 1 A 36 36 PRO CB C 36 31.500 31.942 -0.442 1 1 385 . 10 1 1 A 37 37 GLN H H 37 8.300 8.261 0.039 1 1 386 . 10 1 1 A 37 37 GLN HA H 37 4.030 4.053 -0.023 1 1 393 . 10 1 1 A 37 37 GLN CA C 37 59.400 58.952 0.448 1 1 394 . 10 1 1 A 37 37 GLN CB C 37 27.400 28.037 -0.637 1 1 396 . 10 1 1 A 37 37 GLN N N 37 117.300 117.211 0.089 1 1 398 . 10 1 1 A 38 38 THR H H 38 7.790 7.762 0.028 1 1 399 . 10 1 1 A 38 38 THR HA H 38 3.590 3.697 -0.107 1 1 404 . 10 1 1 A 38 38 THR CA C 38 66.000 66.212 -0.212 1 1 405 . 10 1 1 A 38 38 THR CB C 38 67.900 68.312 -0.412 1 1 407 . 10 1 1 A 38 38 THR N N 38 119.500 116.486 3.014 1 1 408 . 10 1 1 A 39 39 PHE H H 39 8.150 8.073 0.077 1 1 409 . 10 1 1 A 39 39 PHE HA H 39 2.690 3.550 -0.860 1 1 417 . 10 1 1 A 39 39 PHE CA C 39 60.700 61.370 -0.670 1 1 418 . 10 1 1 A 39 39 PHE CB C 39 39.500 38.937 0.563 1 1 422 . 10 1 1 A 39 39 PHE N N 39 123.200 122.778 0.422 1 1 423 . 10 1 1 A 40 40 ASN H H 40 8.270 8.374 -0.104 1 1 424 . 10 1 1 A 40 40 ASN HA H 40 4.410 4.408 0.002 1 1 429 . 10 1 1 A 40 40 ASN CA C 40 56.800 56.459 0.341 1 1 430 . 10 1 1 A 40 40 ASN CB C 40 38.700 38.827 -0.127 1 1 431 . 10 1 1 A 40 40 ASN N N 40 115.400 116.827 -1.427 1 1 433 . 10 1 1 A 41 41 THR H H 41 7.520 7.616 -0.096 1 1 434 . 10 1 1 A 41 41 THR HA H 41 4.010 4.071 -0.061 1 1 439 . 10 1 1 A 41 41 THR CA C 41 66.000 64.873 1.127 1 1 440 . 10 1 1 A 41 41 THR CB C 41 69.100 68.583 0.517 1 1 442 . 10 1 1 A 41 41 THR N N 41 109.700 113.433 -3.733 1 1 443 . 10 1 1 A 42 42 TRP H H 42 7.190 7.209 -0.019 1 1 444 . 10 1 1 A 42 42 TRP HA H 42 5.420 4.657 0.763 1 1 453 . 10 1 1 A 42 42 TRP CA C 42 56.300 59.005 -2.705 1 1 454 . 10 1 1 A 42 42 TRP CB C 42 28.400 30.221 -1.821 1 1 460 . 10 1 1 A 42 42 TRP N N 42 124.000 121.285 2.715 1 1 462 . 10 1 1 A 43 43 CYS H H 43 7.610 8.128 -0.518 1 1 463 . 10 1 1 A 43 43 CYS HA H 43 4.090 4.077 0.013 1 1 466 . 10 1 1 A 43 43 CYS CA C 43 62.600 62.560 0.040 1 1 467 . 10 1 1 A 43 43 CYS CB C 43 27.600 26.943 0.657 1 1 468 . 10 1 1 A 43 43 CYS N N 43 117.200 119.389 -2.189 1 1 469 . 10 1 1 A 44 44 LYS H H 44 7.870 7.856 0.014 1 1 470 . 10 1 1 A 44 44 LYS HA H 44 4.410 4.327 0.083 1 1 479 . 10 1 1 A 44 44 LYS CA C 44 55.500 56.055 -0.555 1 1 480 . 10 1 1 A 44 44 LYS CB C 44 33.100 33.069 0.031 1 1 484 . 10 1 1 A 44 44 LYS N N 44 115.700 117.544 -1.844 1 1 485 . 10 1 1 A 45 45 GLY H H 45 7.800 7.908 -0.108 1 1 486 . 10 1 1 A 45 45 GLY HA2 H 45 3.980 3.950 0.030 1 1 487 . 10 1 1 A 45 45 GLY HA3 H 45 4.200 4.001 0.199 1 1 488 . 10 1 1 A 45 45 GLY CA C 45 46.100 46.882 -0.782 1 1 489 . 10 1 1 A 45 45 GLY N N 45 107.200 108.050 -0.850 1 1 490 . 10 1 1 A 46 46 ILE H H 46 7.890 8.374 -0.484 1 1 491 . 10 1 1 A 46 46 ILE HA H 46 4.110 4.094 0.016 1 1 501 . 10 1 1 A 46 46 ILE CA C 46 61.600 62.983 -1.383 1 1 502 . 10 1 1 A 46 46 ILE CB C 46 39.100 38.566 0.534 1 1 506 . 10 1 1 A 46 46 ILE N N 46 115.700 116.945 -1.245 1 1 507 . 10 1 1 A 47 47 ALA H H 47 7.540 7.807 -0.267 1 1 508 . 10 1 1 A 47 47 ALA HA H 47 4.590 4.794 -0.204 1 1 512 . 10 1 1 A 47 47 ALA CA C 47 50.700 50.624 0.076 1 1 513 . 10 1 1 A 47 47 ALA CB C 47 22.600 23.051 -0.451 1 1 514 . 10 1 1 A 47 47 ALA N N 47 121.600 119.395 2.205 1 1 515 . 10 1 1 A 48 48 ILE H H 48 8.260 8.901 -0.641 1 1 516 . 10 1 1 A 48 48 ILE HA H 48 4.080 4.397 -0.317 1 1 526 . 10 1 1 A 48 48 ILE CA C 48 56.600 57.276 -0.676 1 1 527 . 10 1 1 A 48 48 ILE CB C 48 40.800 38.841 1.959 1 1 531 . 10 1 1 A 48 48 ILE N N 48 118.900 120.032 -1.132 1 1 532 . 10 1 1 A 49 49 PRO HA H 49 4.230 4.588 -0.358 1 1 539 . 10 1 1 A 49 49 PRO CA C 49 61.300 61.992 -0.692 1 1 540 . 10 1 1 A 49 49 PRO CB C 49 31.900 32.244 -0.344 1 1 543 . 10 1 1 A 50 50 ARG H H 50 8.130 8.713 -0.583 1 1 544 . 10 1 1 A 50 50 ARG HA H 50 4.170 4.575 -0.405 1 1 551 . 10 1 1 A 50 50 ARG CA C 50 55.600 55.139 0.461 1 1 552 . 10 1 1 A 50 50 ARG CB C 50 30.500 31.431 -0.931 1 1 555 . 10 1 1 A 50 50 ARG N N 50 115.900 120.772 -4.872 1 1 556 . 10 1 1 A 51 51 MET H H 51 8.680 8.672 0.008 1 1 557 . 10 1 1 A 51 51 MET HA H 51 4.120 4.116 0.004 1 1 565 . 10 1 1 A 51 51 MET CA C 51 57.700 58.706 -1.006 1 1 566 . 10 1 1 A 51 51 MET CB C 51 31.200 32.074 -0.874 1 1 569 . 10 1 1 A 51 51 MET N N 51 120.000 120.498 -0.498 1 1 570 . 10 1 1 A 52 52 GLY HA2 H 52 4.000 3.909 0.091 1 1 571 . 10 1 1 A 52 52 GLY HA3 H 52 3.920 3.912 0.008 1 1 572 . 10 1 1 A 52 52 GLY CA C 52 46.800 46.893 -0.093 1 1 573 . 10 1 1 A 53 53 LYS H H 53 7.520 7.910 -0.390 1 1 574 . 10 1 1 A 53 53 LYS HA H 53 4.450 4.156 0.294 1 1 583 . 10 1 1 A 53 53 LYS CA C 53 56.200 59.394 -3.194 1 1 584 . 10 1 1 A 53 53 LYS CB C 53 32.200 32.597 -0.397 1 1 588 . 10 1 1 A 53 53 LYS N N 53 119.900 122.405 -2.505 1 1 589 . 10 1 1 A 54 54 VAL H H 54 7.650 7.915 -0.265 1 1 590 . 10 1 1 A 54 54 VAL HA H 54 3.420 3.506 -0.086 1 1 598 . 10 1 1 A 54 54 VAL CA C 54 67.600 66.952 0.648 1 1 599 . 10 1 1 A 54 54 VAL CB C 54 30.600 31.230 -0.630 1 1 602 . 10 1 1 A 54 54 VAL N N 54 121.300 120.413 0.887 1 1 603 . 10 1 1 A 55 55 GLN H H 55 8.460 8.498 -0.038 1 1 604 . 10 1 1 A 55 55 GLN HA H 55 3.790 4.074 -0.284 1 1 611 . 10 1 1 A 55 55 GLN CA C 55 58.000 59.602 -1.602 1 1 612 . 10 1 1 A 55 55 GLN CB C 55 28.200 28.231 -0.031 1 1 614 . 10 1 1 A 55 55 GLN N N 55 118.100 118.491 -0.391 1 1 616 . 10 1 1 A 56 56 ALA H H 56 7.550 7.883 -0.333 1 1 617 . 10 1 1 A 56 56 ALA HA H 56 4.310 4.103 0.207 1 1 621 . 10 1 1 A 56 56 ALA CA C 56 55.100 55.036 0.064 1 1 622 . 10 1 1 A 56 56 ALA CB C 56 18.100 18.031 0.069 1 1 623 . 10 1 1 A 56 56 ALA N N 56 120.300 123.187 -2.887 1 1 624 . 10 1 1 A 57 57 LEU H H 57 8.170 7.995 0.175 1 1 625 . 10 1 1 A 57 57 LEU HA H 57 3.950 4.110 -0.160 1 1 635 . 10 1 1 A 57 57 LEU CA C 57 57.500 58.244 -0.744 1 1 636 . 10 1 1 A 57 57 LEU CB C 57 43.500 41.770 1.730 1 1 640 . 10 1 1 A 57 57 LEU N N 57 120.100 119.022 1.078 1 1 641 . 10 1 1 A 58 58 ALA H H 58 8.430 8.680 -0.250 1 1 642 . 10 1 1 A 58 58 ALA HA H 58 3.820 4.148 -0.328 1 1 646 . 10 1 1 A 58 58 ALA CA C 58 54.600 55.052 -0.452 1 1 647 . 10 1 1 A 58 58 ALA CB C 58 16.400 17.950 -1.550 1 1 648 . 10 1 1 A 58 58 ALA N N 58 122.600 121.329 1.271 1 1 649 . 10 1 1 A 59 59 ASP H H 59 8.790 7.972 0.818 1 1 650 . 10 1 1 A 59 59 ASP HA H 59 4.440 4.411 0.029 1 1 653 . 10 1 1 A 59 59 ASP CA C 59 57.000 57.217 -0.217 1 1 654 . 10 1 1 A 59 59 ASP CB C 59 39.800 40.875 -1.075 1 1 655 . 10 1 1 A 59 59 ASP N N 59 117.900 119.277 -1.377 1 1 656 . 10 1 1 A 60 60 TYR H H 60 8.050 8.158 -0.108 1 1 657 . 10 1 1 A 60 60 TYR HA H 60 3.820 4.169 -0.349 1 1 664 . 10 1 1 A 60 60 TYR CA C 60 62.000 61.474 0.526 1 1 665 . 10 1 1 A 60 60 TYR CB C 60 38.200 38.270 -0.070 1 1 668 . 10 1 1 A 60 60 TYR N N 60 122.300 120.915 1.385 1 1 669 . 10 1 1 A 61 61 PHE H H 61 7.860 7.654 0.206 1 1 670 . 10 1 1 A 61 61 PHE HA H 61 4.530 4.563 -0.033 1 1 678 . 10 1 1 A 61 61 PHE CA C 61 58.000 57.985 0.015 1 1 679 . 10 1 1 A 61 61 PHE CB C 61 39.800 39.308 0.492 1 1 683 . 10 1 1 A 61 61 PHE N N 61 114.100 115.341 -1.241 1 1 684 . 10 1 1 A 62 62 ASN H H 62 8.040 7.991 0.049 1 1 685 . 10 1 1 A 62 62 ASN HA H 62 4.420 4.408 0.012 1 1 690 . 10 1 1 A 62 62 ASN CA C 62 54.200 54.303 -0.103 1 1 691 . 10 1 1 A 62 62 ASN CB C 62 36.800 37.636 -0.836 1 1 692 . 10 1 1 A 62 62 ASN N N 62 118.100 116.764 1.336 1 1 694 . 10 1 1 A 63 63 ILE H H 63 8.360 7.856 0.504 1 1 695 . 10 1 1 A 63 63 ILE HA H 63 4.710 4.330 0.380 1 1 705 . 10 1 1 A 63 63 ILE CA C 63 59.600 61.577 -1.977 1 1 706 . 10 1 1 A 63 63 ILE CB C 63 39.700 38.212 1.488 1 1 710 . 10 1 1 A 63 63 ILE N N 63 112.700 115.964 -3.264 1 1 711 . 10 1 1 A 64 64 ASN H H 64 8.860 7.701 1.159 1 1 712 . 10 1 1 A 64 64 ASN HA H 64 4.990 4.943 0.047 1 1 717 . 10 1 1 A 64 64 ASN CA C 64 52.100 52.630 -0.530 1 1 718 . 10 1 1 A 64 64 ASN CB C 64 40.600 41.564 -0.964 1 1 719 . 10 1 1 A 64 64 ASN N N 64 117.400 118.762 -1.362 1 1 721 . 10 1 1 A 65 65 LYS H H 65 9.250 8.869 0.381 1 1 722 . 10 1 1 A 65 65 LYS HA H 65 3.720 4.151 -0.431 1 1 731 . 10 1 1 A 65 65 LYS CA C 65 60.900 58.968 1.932 1 1 732 . 10 1 1 A 65 65 LYS CB C 65 31.200 32.080 -0.880 1 1 736 . 10 1 1 A 65 65 LYS N N 65 123.200 122.898 0.302 1 1 737 . 10 1 1 A 66 66 SER H H 66 8.700 8.151 0.549 1 1 738 . 10 1 1 A 66 66 SER HA H 66 4.050 4.091 -0.041 1 1 741 . 10 1 1 A 66 66 SER CA C 66 61.200 62.123 -0.923 1 1 742 . 10 1 1 A 66 66 SER CB C 66 62.200 62.809 -0.609 1 1 743 . 10 1 1 A 66 66 SER N N 66 114.300 118.106 -3.806 1 1 744 . 10 1 1 A 67 67 ASP H H 67 7.510 8.320 -0.810 1 1 745 . 10 1 1 A 67 67 ASP HA H 67 4.500 4.472 0.028 1 1 748 . 10 1 1 A 67 67 ASP CA C 67 56.700 57.034 -0.334 1 1 749 . 10 1 1 A 67 67 ASP CB C 67 41.000 40.280 0.720 1 1 750 . 10 1 1 A 67 67 ASP N N 67 119.800 122.568 -2.768 1 1 751 . 10 1 1 A 68 68 LEU H H 68 7.440 7.385 0.055 1 1 752 . 10 1 1 A 68 68 LEU HA H 68 4.500 4.247 0.253 1 1 762 . 10 1 1 A 68 68 LEU CA C 68 55.700 56.773 -1.073 1 1 763 . 10 1 1 A 68 68 LEU CB C 68 43.500 42.344 1.156 1 1 767 . 10 1 1 A 68 68 LEU N N 68 113.800 118.343 -4.543 1 1 768 . 10 1 1 A 69 69 ILE H H 69 7.500 7.639 -0.139 1 1 769 . 10 1 1 A 69 69 ILE HA H 69 4.390 4.093 0.297 1 1 779 . 10 1 1 A 69 69 ILE CA C 69 61.700 64.339 -2.639 1 1 780 . 10 1 1 A 69 69 ILE CB C 69 39.600 38.067 1.533 1 1 784 . 10 1 1 A 69 69 ILE N N 69 112.800 118.225 -5.425 1 1 785 . 10 1 1 A 70 70 GLU H H 70 7.680 7.832 -0.152 1 1 786 . 10 1 1 A 70 70 GLU HA H 70 4.500 4.644 -0.144 1 1 791 . 10 1 1 A 70 70 GLU CA C 70 55.200 54.991 0.209 1 1 792 . 10 1 1 A 70 70 GLU CB C 70 30.800 30.938 -0.138 1 1 794 . 10 1 1 A 70 70 GLU N N 70 118.300 119.559 -1.259 1 1 795 . 10 1 1 A 71 71 ASP H H 71 8.660 8.391 0.269 1 1 796 . 10 1 1 A 71 71 ASP HA H 71 4.640 4.716 -0.076 1 1 799 . 10 1 1 A 71 71 ASP CA C 71 53.400 54.027 -0.627 1 1 800 . 10 1 1 A 71 71 ASP CB C 71 40.800 42.235 -1.435 1 1 801 . 10 1 1 A 71 71 ASP N N 71 121.100 122.370 -1.270 1 1 802 . 10 1 1 A 72 72 LYS H H 72 8.980 8.680 0.300 1 1 803 . 10 1 1 A 72 72 LYS HA H 72 4.270 4.387 -0.117 1 1 812 . 10 1 1 A 72 72 LYS CA C 72 56.400 56.833 -0.433 1 1 813 . 10 1 1 A 72 72 LYS CB C 72 32.400 32.623 -0.223 1 1 817 . 10 1 1 A 72 72 LYS N N 72 126.200 125.338 0.862 1 1 818 . 10 1 1 A 73 73 LYS H H 73 8.460 7.712 0.748 1 1 819 . 10 1 1 A 73 73 LYS HA H 73 4.180 4.292 -0.112 1 1 828 . 10 1 1 A 73 73 LYS CA C 73 56.500 56.879 -0.379 1 1 829 . 10 1 1 A 73 73 LYS CB C 73 31.600 32.522 -0.922 1 1 833 . 10 1 1 A 73 73 LYS N N 73 120.300 118.902 1.398 1 1 834 . 10 1 1 A 74 74 LEU H H 74 7.910 7.305 0.605 1 1 835 . 10 1 1 A 74 74 LEU HA H 74 4.260 4.465 -0.205 1 1 845 . 10 1 1 A 74 74 LEU CA C 74 55.000 54.223 0.777 1 1 846 . 10 1 1 A 74 74 LEU CB C 74 42.200 40.321 1.879 1 1 850 . 10 1 1 A 74 74 LEU N N 74 120.900 122.174 -1.274 1 1 851 . 10 1 1 A 75 75 ASN H H 75 8.320 8.963 -0.643 1 1 852 . 10 1 1 A 75 75 ASN HA H 75 4.710 5.056 -0.346 1 1 857 . 10 1 1 A 75 75 ASN CA C 75 53.000 52.492 0.508 1 1 858 . 10 1 1 A 75 75 ASN CB C 75 38.700 38.836 -0.136 1 1 859 . 10 1 1 A 75 75 ASN N N 75 119.300 123.445 -4.145 1 1 861 . 10 1 1 A 76 76 ILE H H 76 8.010 8.552 -0.542 1 1 862 . 10 1 1 A 76 76 ILE HA H 76 4.180 4.105 0.075 1 1 872 . 10 1 1 A 76 76 ILE CA C 76 61.000 61.518 -0.518 1 1 873 . 10 1 1 A 76 76 ILE CB C 76 38.700 38.254 0.446 1 1 877 . 10 1 1 A 76 76 ILE N N 76 120.200 127.756 -7.556 1 1 878 . 10 1 1 A 77 77 ASP H H 77 8.390 8.798 -0.408 1 1 879 . 10 1 1 A 77 77 ASP HA H 77 4.660 4.548 0.112 1 1 882 . 10 1 1 A 77 77 ASP CA C 77 54.200 54.730 -0.530 1 1 883 . 10 1 1 A 77 77 ASP CB C 77 41.100 39.670 1.430 1 1 884 . 10 1 1 A 77 77 ASP N N 77 123.500 123.899 -0.399 1 1 885 . 10 1 1 A 78 78 THR H H 78 8.010 7.540 0.470 1 1 886 . 10 1 1 A 78 78 THR HA H 78 4.310 4.553 -0.243 1 1 891 . 10 1 1 A 78 78 THR CA C 78 61.600 60.842 0.758 1 1 892 . 10 1 1 A 78 78 THR CB C 78 69.700 70.553 -0.853 1 1 894 . 10 1 1 A 78 78 THR N N 78 114.200 110.638 3.562 1 1 895 . 10 1 1 A 79 79 VAL H H 79 8.090 8.514 -0.424 1 1 896 . 10 1 1 A 79 79 VAL HA H 79 4.390 4.754 -0.364 1 1 904 . 10 1 1 A 79 79 VAL CA C 79 59.900 58.870 1.030 1 1 905 . 10 1 1 A 79 79 VAL CB C 79 32.400 32.770 -0.370 1 1 908 . 10 1 1 A 79 79 VAL N N 79 124.000 120.747 3.253 1 1 909 . 10 1 1 A 80 80 PRO HA H 80 4.420 4.473 -0.053 1 1 916 . 10 1 1 A 80 80 PRO CA C 80 62.900 62.970 -0.070 1 1 917 . 10 1 1 A 80 80 PRO CB C 80 31.900 31.845 0.055 1 1 920 . 10 1 1 A 81 81 ILE H H 81 8.210 8.289 -0.079 1 1 921 . 10 1 1 A 81 81 ILE HA H 81 4.110 4.108 0.002 1 1 931 . 10 1 1 A 81 81 ILE CA C 81 61.200 61.414 -0.214 1 1 932 . 10 1 1 A 81 81 ILE CB C 81 38.600 38.665 -0.065 1 1 936 . 10 1 1 A 81 81 ILE N N 81 121.300 123.658 -2.358 1 1 937 . 10 1 1 A 82 82 GLU H H 82 8.510 8.509 0.001 1 1 938 . 10 1 1 A 82 82 GLU HA H 82 4.300 4.246 0.054 1 1 943 . 10 1 1 A 82 82 GLU CA C 82 56.300 57.084 -0.784 1 1 944 . 10 1 1 A 82 82 GLU CB C 82 30.000 29.796 0.204 1 1 946 . 10 1 1 A 82 82 GLU N N 82 124.600 126.657 -2.057 1 1 947 . 10 1 1 A 83 83 SER H H 83 8.330 8.665 -0.335 1 1 948 . 10 1 1 A 83 83 SER HA H 83 4.400 5.054 -0.654 1 1 951 . 10 1 1 A 83 83 SER CA C 83 58.500 56.451 2.049 1 1 952 . 10 1 1 A 83 83 SER CB C 83 63.600 65.403 -1.803 1 1 953 . 10 1 1 A 83 83 SER N N 83 116.900 120.088 -3.188 1 1 954 . 10 1 1 A 84 84 GLY H H 84 8.400 8.976 -0.576 1 1 955 . 10 1 1 A 84 84 GLY HA2 H 84 3.900 4.206 -0.306 1 1 956 . 10 1 1 A 84 84 GLY HA3 H 84 3.900 4.224 -0.324 1 1 957 . 10 1 1 A 84 84 GLY CA C 84 45.300 44.281 1.019 1 1 958 . 10 1 1 A 84 84 GLY N N 84 110.400 114.282 -3.882 1 1 959 . 10 1 1 A 85 85 TYR H H 85 8.000 8.875 -0.875 1 1 960 . 10 1 1 A 85 85 TYR HA H 85 4.600 5.224 -0.624 1 1 967 . 10 1 1 A 85 85 TYR CA C 85 57.900 57.032 0.868 1 1 968 . 10 1 1 A 85 85 TYR CB C 85 38.700 41.816 -3.116 1 1 971 . 10 1 1 A 85 85 TYR N N 85 120.000 121.396 -1.396 1 1 972 . 10 1 1 A 86 86 THR H H 86 8.070 8.429 -0.359 1 1 973 . 10 1 1 A 86 86 THR HA H 86 4.280 4.928 -0.648 1 1 978 . 10 1 1 A 86 86 THR CA C 86 61.600 60.026 1.574 1 1 979 . 10 1 1 A 86 86 THR CB C 86 69.700 69.959 -0.259 1 1 1 . 11 1 1 A 4 4 ASP H H 4 8.270 8.559 -0.289 1 1 2 . 11 1 1 A 4 4 ASP HA H 4 4.550 4.486 0.064 1 1 5 . 11 1 1 A 4 4 ASP CA C 4 54.700 55.546 -0.846 1 1 6 . 11 1 1 A 4 4 ASP CB C 4 41.400 40.794 0.606 1 1 7 . 11 1 1 A 4 4 ASP N N 4 121.200 123.022 -1.822 1 1 8 . 11 1 1 A 5 5 LYS HA H 5 4.160 4.099 0.061 1 1 13 . 11 1 1 A 5 5 LYS CA C 5 58.300 58.767 -0.467 1 1 14 . 11 1 1 A 5 5 LYS CB C 5 32.400 31.632 0.768 1 1 16 . 11 1 1 A 6 6 GLN H H 6 8.170 8.224 -0.054 1 1 17 . 11 1 1 A 6 6 GLN HA H 6 4.090 4.053 0.037 1 1 24 . 11 1 1 A 6 6 GLN CA C 6 59.000 59.161 -0.161 1 1 25 . 11 1 1 A 6 6 GLN CB C 6 28.500 28.225 0.275 1 1 27 . 11 1 1 A 6 6 GLN N N 6 117.400 119.583 -2.183 1 1 29 . 11 1 1 A 7 7 LYS H H 7 7.970 7.701 0.269 1 1 30 . 11 1 1 A 7 7 LYS HA H 7 4.030 4.162 -0.132 1 1 39 . 11 1 1 A 7 7 LYS CA C 7 59.500 59.156 0.344 1 1 40 . 11 1 1 A 7 7 LYS CB C 7 32.500 31.813 0.687 1 1 44 . 11 1 1 A 7 7 LYS N N 7 119.400 118.713 0.687 1 1 45 . 11 1 1 A 8 8 ALA H H 8 7.980 8.067 -0.087 1 1 46 . 11 1 1 A 8 8 ALA HA H 8 4.110 4.162 -0.052 1 1 50 . 11 1 1 A 8 8 ALA CA C 8 55.000 54.835 0.165 1 1 51 . 11 1 1 A 8 8 ALA CB C 8 18.100 18.333 -0.233 1 1 52 . 11 1 1 A 8 8 ALA N N 8 123.300 122.328 0.972 1 1 53 . 11 1 1 A 9 9 ILE H H 9 8.070 8.075 -0.005 1 1 54 . 11 1 1 A 9 9 ILE HA H 9 3.760 3.729 0.031 1 1 64 . 11 1 1 A 9 9 ILE CA C 9 63.800 65.380 -1.580 1 1 65 . 11 1 1 A 9 9 ILE CB C 9 38.900 37.800 1.100 1 1 69 . 11 1 1 A 9 9 ILE N N 9 119.200 119.984 -0.784 1 1 70 . 11 1 1 A 10 10 PHE H H 10 8.020 8.377 -0.357 1 1 71 . 11 1 1 A 10 10 PHE HA H 10 4.720 4.225 0.495 1 1 79 . 11 1 1 A 10 10 PHE CA C 10 60.400 62.241 -1.841 1 1 80 . 11 1 1 A 10 10 PHE CB C 10 39.400 38.888 0.512 1 1 84 . 11 1 1 A 10 10 PHE N N 10 118.900 121.197 -2.297 1 1 85 . 11 1 1 A 11 11 SER H H 11 8.420 8.205 0.215 1 1 86 . 11 1 1 A 11 11 SER HA H 11 3.890 4.073 -0.183 1 1 89 . 11 1 1 A 11 11 SER CA C 11 62.000 61.703 0.297 1 1 90 . 11 1 1 A 11 11 SER CB C 11 62.800 62.762 0.038 1 1 91 . 11 1 1 A 11 11 SER N N 11 112.700 113.919 -1.219 1 1 92 . 11 1 1 A 12 12 GLU H H 12 8.050 8.252 -0.202 1 1 93 . 11 1 1 A 12 12 GLU HA H 12 4.130 3.958 0.172 1 1 98 . 11 1 1 A 12 12 GLU CA C 12 59.400 59.603 -0.203 1 1 99 . 11 1 1 A 12 12 GLU CB C 12 29.100 28.957 0.143 1 1 101 . 11 1 1 A 12 12 GLU N N 12 123.000 121.809 1.191 1 1 102 . 11 1 1 A 13 13 ASN H H 13 8.390 7.931 0.459 1 1 103 . 11 1 1 A 13 13 ASN HA H 13 4.470 4.531 -0.061 1 1 108 . 11 1 1 A 13 13 ASN CA C 13 55.700 56.106 -0.406 1 1 109 . 11 1 1 A 13 13 ASN CB C 13 37.900 38.243 -0.343 1 1 110 . 11 1 1 A 13 13 ASN N N 13 119.100 118.595 0.505 1 1 112 . 11 1 1 A 14 14 LEU H H 14 9.170 7.792 1.378 1 1 113 . 11 1 1 A 14 14 LEU HA H 14 3.860 3.730 0.130 1 1 123 . 11 1 1 A 14 14 LEU CA C 14 58.800 57.689 1.111 1 1 124 . 11 1 1 A 14 14 LEU CB C 14 41.100 40.996 0.104 1 1 128 . 11 1 1 A 14 14 LEU N N 14 122.200 121.050 1.150 1 1 129 . 11 1 1 A 15 15 ASN H H 15 8.700 8.781 -0.081 1 1 130 . 11 1 1 A 15 15 ASN HA H 15 4.520 4.419 0.101 1 1 135 . 11 1 1 A 15 15 ASN CA C 15 56.600 56.859 -0.259 1 1 136 . 11 1 1 A 15 15 ASN CB C 15 37.900 39.668 -1.768 1 1 137 . 11 1 1 A 15 15 ASN N N 15 115.400 117.917 -2.517 1 1 139 . 11 1 1 A 16 16 SER H H 16 7.860 7.728 0.132 1 1 140 . 11 1 1 A 16 16 SER HA H 16 4.250 4.189 0.061 1 1 143 . 11 1 1 A 16 16 SER CA C 16 61.400 61.197 0.203 1 1 144 . 11 1 1 A 16 16 SER CB C 16 62.100 62.541 -0.441 1 1 145 . 11 1 1 A 16 16 SER N N 16 117.600 113.998 3.602 1 1 146 . 11 1 1 A 17 17 TYR H H 17 7.740 7.752 -0.012 1 1 147 . 11 1 1 A 17 17 TYR HA H 17 3.900 4.242 -0.342 1 1 154 . 11 1 1 A 17 17 TYR CA C 17 63.500 61.147 2.353 1 1 155 . 11 1 1 A 17 17 TYR CB C 17 35.600 37.584 -1.984 1 1 158 . 11 1 1 A 17 17 TYR N N 17 120.700 118.700 2.000 1 1 159 . 11 1 1 A 18 18 ILE H H 18 8.660 8.153 0.507 1 1 160 . 11 1 1 A 18 18 ILE HA H 18 3.710 3.909 -0.199 1 1 170 . 11 1 1 A 18 18 ILE CA C 18 66.400 65.072 1.328 1 1 171 . 11 1 1 A 18 18 ILE CB C 18 38.300 37.992 0.308 1 1 175 . 11 1 1 A 18 18 ILE N N 18 121.800 120.403 1.397 1 1 176 . 11 1 1 A 19 19 ALA H H 19 8.010 8.467 -0.457 1 1 177 . 11 1 1 A 19 19 ALA HA H 19 4.220 4.097 0.123 1 1 181 . 11 1 1 A 19 19 ALA CA C 19 55.000 55.063 -0.063 1 1 182 . 11 1 1 A 19 19 ALA CB C 19 17.800 17.985 -0.185 1 1 183 . 11 1 1 A 19 19 ALA N N 19 121.900 121.749 0.151 1 1 184 . 11 1 1 A 20 20 LYS H H 20 7.650 7.875 -0.225 1 1 185 . 11 1 1 A 20 20 LYS HA H 20 4.200 4.034 0.166 1 1 194 . 11 1 1 A 20 20 LYS CA C 20 57.900 59.011 -1.111 1 1 195 . 11 1 1 A 20 20 LYS CB C 20 33.000 32.085 0.915 1 1 199 . 11 1 1 A 20 20 LYS N N 20 116.500 118.239 -1.739 1 1 200 . 11 1 1 A 21 21 SER H H 21 8.000 7.349 0.651 1 1 201 . 11 1 1 A 21 21 SER HA H 21 4.460 4.501 -0.041 1 1 204 . 11 1 1 A 21 21 SER CA C 21 60.100 58.643 1.457 1 1 205 . 11 1 1 A 21 21 SER CB C 21 64.700 64.307 0.393 1 1 206 . 11 1 1 A 21 21 SER N N 21 114.400 115.432 -1.032 1 1 207 . 11 1 1 A 22 22 GLU H H 22 7.970 9.017 -1.047 1 1 208 . 11 1 1 A 22 22 GLU HA H 22 4.140 4.420 -0.280 1 1 213 . 11 1 1 A 22 22 GLU CA C 22 57.900 56.734 1.166 1 1 214 . 11 1 1 A 22 22 GLU CB C 22 27.700 29.890 -2.190 1 1 216 . 11 1 1 A 22 22 GLU N N 22 116.000 124.453 -8.453 1 1 217 . 11 1 1 A 23 23 LYS H H 23 8.070 7.454 0.616 1 1 218 . 11 1 1 A 23 23 LYS HA H 23 4.730 4.656 0.074 1 1 227 . 11 1 1 A 23 23 LYS CA C 23 53.800 55.166 -1.366 1 1 228 . 11 1 1 A 23 23 LYS CB C 23 34.300 33.923 0.377 1 1 232 . 11 1 1 A 23 23 LYS N N 23 119.500 119.822 -0.322 1 1 233 . 11 1 1 A 24 24 THR H H 24 8.690 8.720 -0.030 1 1 234 . 11 1 1 A 24 24 THR HA H 24 4.460 4.675 -0.215 1 1 239 . 11 1 1 A 24 24 THR CA C 24 60.200 61.463 -1.263 1 1 240 . 11 1 1 A 24 24 THR CB C 24 71.200 70.895 0.305 1 1 242 . 11 1 1 A 24 24 THR N N 24 109.900 115.329 -5.429 1 1 243 . 11 1 1 A 25 25 GLN H H 25 8.840 9.055 -0.215 1 1 244 . 11 1 1 A 25 25 GLN HA H 25 3.640 3.946 -0.306 1 1 251 . 11 1 1 A 25 25 GLN CA C 25 59.900 59.044 0.856 1 1 252 . 11 1 1 A 25 25 GLN CB C 25 28.300 28.694 -0.394 1 1 254 . 11 1 1 A 25 25 GLN N N 25 118.500 124.843 -6.343 1 1 256 . 11 1 1 A 26 26 LEU H H 26 7.690 8.146 -0.456 1 1 257 . 11 1 1 A 26 26 LEU HA H 26 3.790 3.953 -0.163 1 1 267 . 11 1 1 A 26 26 LEU CA C 26 57.900 57.873 0.027 1 1 268 . 11 1 1 A 26 26 LEU CB C 26 41.800 41.568 0.232 1 1 272 . 11 1 1 A 26 26 LEU N N 26 116.000 121.091 -5.091 1 1 273 . 11 1 1 A 27 27 GLU H H 27 7.540 8.024 -0.484 1 1 274 . 11 1 1 A 27 27 GLU HA H 27 3.880 3.907 -0.027 1 1 279 . 11 1 1 A 27 27 GLU CA C 27 58.800 59.473 -0.673 1 1 280 . 11 1 1 A 27 27 GLU CB C 27 29.500 29.540 -0.040 1 1 282 . 11 1 1 A 27 27 GLU N N 27 118.200 118.250 -0.050 1 1 283 . 11 1 1 A 28 28 ILE H H 28 7.710 8.055 -0.345 1 1 284 . 11 1 1 A 28 28 ILE HA H 28 2.970 3.234 -0.264 1 1 294 . 11 1 1 A 28 28 ILE CA C 28 65.100 65.439 -0.339 1 1 295 . 11 1 1 A 28 28 ILE CB C 28 37.400 38.400 -1.000 1 1 299 . 11 1 1 A 28 28 ILE N N 28 121.400 119.923 1.477 1 1 300 . 11 1 1 A 29 29 ALA H H 29 7.690 8.121 -0.431 1 1 301 . 11 1 1 A 29 29 ALA HA H 29 3.230 3.657 -0.427 1 1 305 . 11 1 1 A 29 29 ALA CA C 29 55.300 55.271 0.029 1 1 306 . 11 1 1 A 29 29 ALA CB C 29 16.300 18.222 -1.922 1 1 307 . 11 1 1 A 29 29 ALA N N 29 120.500 121.504 -1.004 1 1 308 . 11 1 1 A 30 30 LYS H H 30 7.580 8.128 -0.548 1 1 309 . 11 1 1 A 30 30 LYS HA H 30 4.050 3.923 0.127 1 1 318 . 11 1 1 A 30 30 LYS CA C 30 58.800 59.329 -0.529 1 1 319 . 11 1 1 A 30 30 LYS CB C 30 32.000 32.331 -0.331 1 1 323 . 11 1 1 A 30 30 LYS N N 30 114.800 118.909 -4.109 1 1 324 . 11 1 1 A 31 31 SER H H 31 7.680 7.684 -0.004 1 1 325 . 11 1 1 A 31 31 SER HA H 31 4.220 4.280 -0.060 1 1 328 . 11 1 1 A 31 31 SER CA C 31 62.300 62.090 0.210 1 1 329 . 11 1 1 A 31 31 SER CB C 31 63.300 63.040 0.260 1 1 330 . 11 1 1 A 31 31 SER N N 31 115.800 116.556 -0.756 1 1 331 . 11 1 1 A 32 32 ILE H H 32 7.800 7.374 0.426 1 1 332 . 11 1 1 A 32 32 ILE HA H 32 4.400 3.939 0.461 1 1 342 . 11 1 1 A 32 32 ILE CA C 32 60.300 63.070 -2.770 1 1 343 . 11 1 1 A 32 32 ILE CB C 32 37.500 38.645 -1.145 1 1 347 . 11 1 1 A 32 32 ILE N N 32 113.800 117.454 -3.654 1 1 348 . 11 1 1 A 33 33 GLY H H 33 7.880 8.037 -0.157 1 1 349 . 11 1 1 A 33 33 GLY HA2 H 33 3.890 4.069 -0.179 1 1 350 . 11 1 1 A 33 33 GLY HA3 H 33 4.040 4.088 -0.048 1 1 351 . 11 1 1 A 33 33 GLY CA C 33 46.800 45.040 1.760 1 1 352 . 11 1 1 A 33 33 GLY N N 33 110.500 108.609 1.891 1 1 353 . 11 1 1 A 34 34 VAL H H 34 7.910 7.580 0.330 1 1 354 . 11 1 1 A 34 34 VAL HA H 34 4.720 4.803 -0.083 1 1 362 . 11 1 1 A 34 34 VAL CA C 34 58.700 59.364 -0.664 1 1 363 . 11 1 1 A 34 34 VAL CB C 34 35.500 35.286 0.214 1 1 366 . 11 1 1 A 34 34 VAL N N 34 113.500 115.833 -2.333 1 1 367 . 11 1 1 A 35 35 SER H H 35 8.650 8.514 0.136 1 1 368 . 11 1 1 A 35 35 SER HA H 35 4.580 4.658 -0.078 1 1 371 . 11 1 1 A 35 35 SER CA C 35 55.900 56.919 -1.019 1 1 372 . 11 1 1 A 35 35 SER CB C 35 62.800 62.731 0.069 1 1 373 . 11 1 1 A 35 35 SER N N 35 118.400 117.923 0.477 1 1 374 . 11 1 1 A 36 36 PRO HA H 36 3.950 4.293 -0.343 1 1 381 . 11 1 1 A 36 36 PRO CA C 36 65.100 65.147 -0.047 1 1 382 . 11 1 1 A 36 36 PRO CB C 36 31.500 32.132 -0.632 1 1 385 . 11 1 1 A 37 37 GLN H H 37 8.300 8.341 -0.041 1 1 386 . 11 1 1 A 37 37 GLN HA H 37 4.030 4.006 0.024 1 1 393 . 11 1 1 A 37 37 GLN CA C 37 59.400 58.698 0.702 1 1 394 . 11 1 1 A 37 37 GLN CB C 37 27.400 28.426 -1.026 1 1 396 . 11 1 1 A 37 37 GLN N N 37 117.300 117.436 -0.136 1 1 398 . 11 1 1 A 38 38 THR H H 38 7.790 7.460 0.330 1 1 399 . 11 1 1 A 38 38 THR HA H 38 3.590 3.680 -0.090 1 1 404 . 11 1 1 A 38 38 THR CA C 38 66.000 65.694 0.306 1 1 405 . 11 1 1 A 38 38 THR CB C 38 67.900 68.161 -0.261 1 1 407 . 11 1 1 A 38 38 THR N N 38 119.500 116.819 2.681 1 1 408 . 11 1 1 A 39 39 PHE H H 39 8.150 7.924 0.226 1 1 409 . 11 1 1 A 39 39 PHE HA H 39 2.690 3.530 -0.840 1 1 417 . 11 1 1 A 39 39 PHE CA C 39 60.700 61.567 -0.867 1 1 418 . 11 1 1 A 39 39 PHE CB C 39 39.500 38.880 0.620 1 1 422 . 11 1 1 A 39 39 PHE N N 39 123.200 122.454 0.746 1 1 423 . 11 1 1 A 40 40 ASN H H 40 8.270 8.268 0.002 1 1 424 . 11 1 1 A 40 40 ASN HA H 40 4.410 4.425 -0.015 1 1 429 . 11 1 1 A 40 40 ASN CA C 40 56.800 56.501 0.299 1 1 430 . 11 1 1 A 40 40 ASN CB C 40 38.700 38.861 -0.161 1 1 431 . 11 1 1 A 40 40 ASN N N 40 115.400 116.754 -1.354 1 1 433 . 11 1 1 A 41 41 THR H H 41 7.520 7.886 -0.366 1 1 434 . 11 1 1 A 41 41 THR HA H 41 4.010 4.068 -0.058 1 1 439 . 11 1 1 A 41 41 THR CA C 41 66.000 64.987 1.013 1 1 440 . 11 1 1 A 41 41 THR CB C 41 69.100 68.407 0.693 1 1 442 . 11 1 1 A 41 41 THR N N 41 109.700 113.468 -3.768 1 1 443 . 11 1 1 A 42 42 TRP H H 42 7.190 6.942 0.248 1 1 444 . 11 1 1 A 42 42 TRP HA H 42 5.420 4.652 0.768 1 1 453 . 11 1 1 A 42 42 TRP CA C 42 56.300 59.763 -3.463 1 1 454 . 11 1 1 A 42 42 TRP CB C 42 28.400 29.579 -1.179 1 1 460 . 11 1 1 A 42 42 TRP N N 42 124.000 121.173 2.827 1 1 462 . 11 1 1 A 43 43 CYS H H 43 7.610 7.831 -0.221 1 1 463 . 11 1 1 A 43 43 CYS HA H 43 4.090 4.213 -0.123 1 1 466 . 11 1 1 A 43 43 CYS CA C 43 62.600 62.238 0.362 1 1 467 . 11 1 1 A 43 43 CYS CB C 43 27.600 27.283 0.317 1 1 468 . 11 1 1 A 43 43 CYS N N 43 117.200 119.548 -2.348 1 1 469 . 11 1 1 A 44 44 LYS H H 44 7.870 7.598 0.272 1 1 470 . 11 1 1 A 44 44 LYS HA H 44 4.410 4.355 0.055 1 1 479 . 11 1 1 A 44 44 LYS CA C 44 55.500 56.002 -0.502 1 1 480 . 11 1 1 A 44 44 LYS CB C 44 33.100 32.883 0.217 1 1 484 . 11 1 1 A 44 44 LYS N N 44 115.700 118.236 -2.536 1 1 485 . 11 1 1 A 45 45 GLY H H 45 7.800 7.897 -0.097 1 1 486 . 11 1 1 A 45 45 GLY HA2 H 45 3.980 3.985 -0.005 1 1 487 . 11 1 1 A 45 45 GLY HA3 H 45 4.200 4.038 0.162 1 1 488 . 11 1 1 A 45 45 GLY CA C 45 46.100 46.046 0.054 1 1 489 . 11 1 1 A 45 45 GLY N N 45 107.200 107.670 -0.470 1 1 490 . 11 1 1 A 46 46 ILE H H 46 7.890 8.156 -0.266 1 1 491 . 11 1 1 A 46 46 ILE HA H 46 4.110 3.801 0.309 1 1 501 . 11 1 1 A 46 46 ILE CA C 46 61.600 64.001 -2.401 1 1 502 . 11 1 1 A 46 46 ILE CB C 46 39.100 37.777 1.323 1 1 506 . 11 1 1 A 46 46 ILE N N 46 115.700 119.599 -3.899 1 1 507 . 11 1 1 A 47 47 ALA H H 47 7.540 7.427 0.113 1 1 508 . 11 1 1 A 47 47 ALA HA H 47 4.590 4.802 -0.212 1 1 512 . 11 1 1 A 47 47 ALA CA C 47 50.700 51.341 -0.641 1 1 513 . 11 1 1 A 47 47 ALA CB C 47 22.600 23.090 -0.490 1 1 514 . 11 1 1 A 47 47 ALA N N 47 121.600 118.942 2.658 1 1 515 . 11 1 1 A 48 48 ILE H H 48 8.260 8.833 -0.573 1 1 516 . 11 1 1 A 48 48 ILE HA H 48 4.080 4.349 -0.269 1 1 526 . 11 1 1 A 48 48 ILE CA C 48 56.600 56.957 -0.357 1 1 527 . 11 1 1 A 48 48 ILE CB C 48 40.800 40.900 -0.100 1 1 531 . 11 1 1 A 48 48 ILE N N 48 118.900 120.171 -1.271 1 1 532 . 11 1 1 A 49 49 PRO HA H 49 4.230 4.505 -0.275 1 1 539 . 11 1 1 A 49 49 PRO CA C 49 61.300 61.876 -0.576 1 1 540 . 11 1 1 A 49 49 PRO CB C 49 31.900 31.918 -0.018 1 1 543 . 11 1 1 A 50 50 ARG H H 50 8.130 8.699 -0.569 1 1 544 . 11 1 1 A 50 50 ARG HA H 50 4.170 4.509 -0.339 1 1 551 . 11 1 1 A 50 50 ARG CA C 50 55.600 54.996 0.604 1 1 552 . 11 1 1 A 50 50 ARG CB C 50 30.500 31.366 -0.866 1 1 555 . 11 1 1 A 50 50 ARG N N 50 115.900 120.807 -4.907 1 1 556 . 11 1 1 A 51 51 MET H H 51 8.680 8.681 -0.001 1 1 557 . 11 1 1 A 51 51 MET HA H 51 4.120 4.080 0.040 1 1 565 . 11 1 1 A 51 51 MET CA C 51 57.700 58.603 -0.903 1 1 566 . 11 1 1 A 51 51 MET CB C 51 31.200 32.531 -1.331 1 1 569 . 11 1 1 A 51 51 MET N N 51 120.000 122.416 -2.416 1 1 570 . 11 1 1 A 52 52 GLY HA2 H 52 4.000 3.923 0.077 1 1 571 . 11 1 1 A 52 52 GLY HA3 H 52 3.920 3.926 -0.006 1 1 572 . 11 1 1 A 52 52 GLY CA C 52 46.800 46.897 -0.097 1 1 573 . 11 1 1 A 53 53 LYS H H 53 7.520 7.909 -0.389 1 1 574 . 11 1 1 A 53 53 LYS HA H 53 4.450 4.156 0.294 1 1 583 . 11 1 1 A 53 53 LYS CA C 53 56.200 59.321 -3.121 1 1 584 . 11 1 1 A 53 53 LYS CB C 53 32.200 32.910 -0.710 1 1 588 . 11 1 1 A 53 53 LYS N N 53 119.900 122.133 -2.233 1 1 589 . 11 1 1 A 54 54 VAL H H 54 7.650 8.074 -0.424 1 1 590 . 11 1 1 A 54 54 VAL HA H 54 3.420 3.501 -0.081 1 1 598 . 11 1 1 A 54 54 VAL CA C 54 67.600 66.544 1.056 1 1 599 . 11 1 1 A 54 54 VAL CB C 54 30.600 31.209 -0.609 1 1 602 . 11 1 1 A 54 54 VAL N N 54 121.300 120.203 1.097 1 1 603 . 11 1 1 A 55 55 GLN H H 55 8.460 8.494 -0.034 1 1 604 . 11 1 1 A 55 55 GLN HA H 55 3.790 4.064 -0.274 1 1 611 . 11 1 1 A 55 55 GLN CA C 55 58.000 59.392 -1.392 1 1 612 . 11 1 1 A 55 55 GLN CB C 55 28.200 28.249 -0.049 1 1 614 . 11 1 1 A 55 55 GLN N N 55 118.100 118.902 -0.802 1 1 616 . 11 1 1 A 56 56 ALA H H 56 7.550 7.843 -0.293 1 1 617 . 11 1 1 A 56 56 ALA HA H 56 4.310 4.014 0.296 1 1 621 . 11 1 1 A 56 56 ALA CA C 56 55.100 55.033 0.067 1 1 622 . 11 1 1 A 56 56 ALA CB C 56 18.100 17.808 0.292 1 1 623 . 11 1 1 A 56 56 ALA N N 56 120.300 123.223 -2.923 1 1 624 . 11 1 1 A 57 57 LEU H H 57 8.170 8.322 -0.152 1 1 625 . 11 1 1 A 57 57 LEU HA H 57 3.950 4.048 -0.098 1 1 635 . 11 1 1 A 57 57 LEU CA C 57 57.500 58.162 -0.662 1 1 636 . 11 1 1 A 57 57 LEU CB C 57 43.500 41.800 1.700 1 1 640 . 11 1 1 A 57 57 LEU N N 57 120.100 119.006 1.094 1 1 641 . 11 1 1 A 58 58 ALA H H 58 8.430 8.664 -0.234 1 1 642 . 11 1 1 A 58 58 ALA HA H 58 3.820 4.116 -0.296 1 1 646 . 11 1 1 A 58 58 ALA CA C 58 54.600 54.892 -0.292 1 1 647 . 11 1 1 A 58 58 ALA CB C 58 16.400 18.117 -1.717 1 1 648 . 11 1 1 A 58 58 ALA N N 58 122.600 121.385 1.215 1 1 649 . 11 1 1 A 59 59 ASP H H 59 8.790 7.992 0.798 1 1 650 . 11 1 1 A 59 59 ASP HA H 59 4.440 4.449 -0.009 1 1 653 . 11 1 1 A 59 59 ASP CA C 59 57.000 57.092 -0.092 1 1 654 . 11 1 1 A 59 59 ASP CB C 59 39.800 40.666 -0.866 1 1 655 . 11 1 1 A 59 59 ASP N N 59 117.900 118.859 -0.959 1 1 656 . 11 1 1 A 60 60 TYR H H 60 8.050 8.185 -0.135 1 1 657 . 11 1 1 A 60 60 TYR HA H 60 3.820 4.181 -0.361 1 1 664 . 11 1 1 A 60 60 TYR CA C 60 62.000 61.324 0.676 1 1 665 . 11 1 1 A 60 60 TYR CB C 60 38.200 38.237 -0.037 1 1 668 . 11 1 1 A 60 60 TYR N N 60 122.300 120.692 1.608 1 1 669 . 11 1 1 A 61 61 PHE H H 61 7.860 7.681 0.179 1 1 670 . 11 1 1 A 61 61 PHE HA H 61 4.530 4.675 -0.145 1 1 678 . 11 1 1 A 61 61 PHE CA C 61 58.000 57.770 0.230 1 1 679 . 11 1 1 A 61 61 PHE CB C 61 39.800 39.457 0.343 1 1 683 . 11 1 1 A 61 61 PHE N N 61 114.100 115.029 -0.929 1 1 684 . 11 1 1 A 62 62 ASN H H 62 8.040 8.226 -0.186 1 1 685 . 11 1 1 A 62 62 ASN HA H 62 4.420 4.440 -0.020 1 1 690 . 11 1 1 A 62 62 ASN CA C 62 54.200 53.984 0.216 1 1 691 . 11 1 1 A 62 62 ASN CB C 62 36.800 37.118 -0.318 1 1 692 . 11 1 1 A 62 62 ASN N N 62 118.100 118.236 -0.136 1 1 694 . 11 1 1 A 63 63 ILE H H 63 8.360 8.163 0.197 1 1 695 . 11 1 1 A 63 63 ILE HA H 63 4.710 5.047 -0.337 1 1 705 . 11 1 1 A 63 63 ILE CA C 63 59.600 58.272 1.328 1 1 706 . 11 1 1 A 63 63 ILE CB C 63 39.700 42.758 -3.058 1 1 710 . 11 1 1 A 63 63 ILE N N 63 112.700 114.819 -2.119 1 1 711 . 11 1 1 A 64 64 ASN H H 64 8.860 8.918 -0.058 1 1 712 . 11 1 1 A 64 64 ASN HA H 64 4.990 5.130 -0.140 1 1 717 . 11 1 1 A 64 64 ASN CA C 64 52.100 51.700 0.400 1 1 718 . 11 1 1 A 64 64 ASN CB C 64 40.600 40.756 -0.156 1 1 719 . 11 1 1 A 64 64 ASN N N 64 117.400 119.562 -2.162 1 1 721 . 11 1 1 A 65 65 LYS H H 65 9.250 8.982 0.268 1 1 722 . 11 1 1 A 65 65 LYS HA H 65 3.720 4.062 -0.342 1 1 731 . 11 1 1 A 65 65 LYS CA C 65 60.900 59.014 1.886 1 1 732 . 11 1 1 A 65 65 LYS CB C 65 31.200 31.863 -0.663 1 1 736 . 11 1 1 A 65 65 LYS N N 65 123.200 121.773 1.427 1 1 737 . 11 1 1 A 66 66 SER H H 66 8.700 8.098 0.602 1 1 738 . 11 1 1 A 66 66 SER HA H 66 4.050 4.111 -0.061 1 1 741 . 11 1 1 A 66 66 SER CA C 66 61.200 62.157 -0.957 1 1 742 . 11 1 1 A 66 66 SER CB C 66 62.200 62.771 -0.571 1 1 743 . 11 1 1 A 66 66 SER N N 66 114.300 117.933 -3.633 1 1 744 . 11 1 1 A 67 67 ASP H H 67 7.510 8.262 -0.752 1 1 745 . 11 1 1 A 67 67 ASP HA H 67 4.500 4.498 0.002 1 1 748 . 11 1 1 A 67 67 ASP CA C 67 56.700 57.350 -0.650 1 1 749 . 11 1 1 A 67 67 ASP CB C 67 41.000 40.831 0.169 1 1 750 . 11 1 1 A 67 67 ASP N N 67 119.800 122.415 -2.615 1 1 751 . 11 1 1 A 68 68 LEU H H 68 7.440 7.361 0.079 1 1 752 . 11 1 1 A 68 68 LEU HA H 68 4.500 4.061 0.439 1 1 762 . 11 1 1 A 68 68 LEU CA C 68 55.700 56.428 -0.728 1 1 763 . 11 1 1 A 68 68 LEU CB C 68 43.500 41.959 1.541 1 1 767 . 11 1 1 A 68 68 LEU N N 68 113.800 118.569 -4.769 1 1 768 . 11 1 1 A 69 69 ILE H H 69 7.500 7.358 0.142 1 1 769 . 11 1 1 A 69 69 ILE HA H 69 4.390 4.254 0.136 1 1 779 . 11 1 1 A 69 69 ILE CA C 69 61.700 63.129 -1.429 1 1 780 . 11 1 1 A 69 69 ILE CB C 69 39.600 39.007 0.593 1 1 784 . 11 1 1 A 69 69 ILE N N 69 112.800 117.483 -4.683 1 1 785 . 11 1 1 A 70 70 GLU H H 70 7.680 8.110 -0.430 1 1 786 . 11 1 1 A 70 70 GLU HA H 70 4.500 4.435 0.065 1 1 791 . 11 1 1 A 70 70 GLU CA C 70 55.200 56.553 -1.353 1 1 792 . 11 1 1 A 70 70 GLU CB C 70 30.800 30.096 0.704 1 1 794 . 11 1 1 A 70 70 GLU N N 70 118.300 119.733 -1.433 1 1 795 . 11 1 1 A 71 71 ASP H H 71 8.660 8.613 0.047 1 1 796 . 11 1 1 A 71 71 ASP HA H 71 4.640 4.707 -0.067 1 1 799 . 11 1 1 A 71 71 ASP CA C 71 53.400 53.492 -0.092 1 1 800 . 11 1 1 A 71 71 ASP CB C 71 40.800 41.990 -1.190 1 1 801 . 11 1 1 A 71 71 ASP N N 71 121.100 123.118 -2.018 1 1 802 . 11 1 1 A 72 72 LYS H H 72 8.980 8.839 0.141 1 1 803 . 11 1 1 A 72 72 LYS HA H 72 4.270 4.265 0.005 1 1 812 . 11 1 1 A 72 72 LYS CA C 72 56.400 57.089 -0.689 1 1 813 . 11 1 1 A 72 72 LYS CB C 72 32.400 32.269 0.131 1 1 817 . 11 1 1 A 72 72 LYS N N 72 126.200 122.509 3.691 1 1 818 . 11 1 1 A 73 73 LYS H H 73 8.460 7.800 0.660 1 1 819 . 11 1 1 A 73 73 LYS HA H 73 4.180 4.482 -0.302 1 1 828 . 11 1 1 A 73 73 LYS CA C 73 56.500 55.941 0.559 1 1 829 . 11 1 1 A 73 73 LYS CB C 73 31.600 31.680 -0.080 1 1 833 . 11 1 1 A 73 73 LYS N N 73 120.300 119.045 1.255 1 1 834 . 11 1 1 A 74 74 LEU H H 74 7.910 7.262 0.648 1 1 835 . 11 1 1 A 74 74 LEU HA H 74 4.260 4.564 -0.304 1 1 845 . 11 1 1 A 74 74 LEU CA C 74 55.000 54.227 0.773 1 1 846 . 11 1 1 A 74 74 LEU CB C 74 42.200 40.111 2.089 1 1 850 . 11 1 1 A 74 74 LEU N N 74 120.900 121.140 -0.240 1 1 851 . 11 1 1 A 75 75 ASN H H 75 8.320 9.127 -0.807 1 1 852 . 11 1 1 A 75 75 ASN HA H 75 4.710 4.995 -0.285 1 1 857 . 11 1 1 A 75 75 ASN CA C 75 53.000 52.178 0.822 1 1 858 . 11 1 1 A 75 75 ASN CB C 75 38.700 38.746 -0.046 1 1 859 . 11 1 1 A 75 75 ASN N N 75 119.300 124.009 -4.709 1 1 861 . 11 1 1 A 76 76 ILE H H 76 8.010 7.342 0.668 1 1 862 . 11 1 1 A 76 76 ILE HA H 76 4.180 4.191 -0.011 1 1 872 . 11 1 1 A 76 76 ILE CA C 76 61.000 60.556 0.444 1 1 873 . 11 1 1 A 76 76 ILE CB C 76 38.700 38.009 0.691 1 1 877 . 11 1 1 A 76 76 ILE N N 76 120.200 120.908 -0.708 1 1 878 . 11 1 1 A 77 77 ASP H H 77 8.390 8.912 -0.522 1 1 879 . 11 1 1 A 77 77 ASP HA H 77 4.660 4.523 0.137 1 1 882 . 11 1 1 A 77 77 ASP CA C 77 54.200 54.993 -0.793 1 1 883 . 11 1 1 A 77 77 ASP CB C 77 41.100 39.659 1.441 1 1 884 . 11 1 1 A 77 77 ASP N N 77 123.500 123.585 -0.085 1 1 885 . 11 1 1 A 78 78 THR H H 78 8.010 7.513 0.497 1 1 886 . 11 1 1 A 78 78 THR HA H 78 4.310 4.504 -0.194 1 1 891 . 11 1 1 A 78 78 THR CA C 78 61.600 61.569 0.031 1 1 892 . 11 1 1 A 78 78 THR CB C 78 69.700 69.460 0.240 1 1 894 . 11 1 1 A 78 78 THR N N 78 114.200 115.380 -1.180 1 1 895 . 11 1 1 A 79 79 VAL H H 79 8.090 8.559 -0.469 1 1 896 . 11 1 1 A 79 79 VAL HA H 79 4.390 4.743 -0.353 1 1 904 . 11 1 1 A 79 79 VAL CA C 79 59.900 58.839 1.061 1 1 905 . 11 1 1 A 79 79 VAL CB C 79 32.400 32.995 -0.595 1 1 908 . 11 1 1 A 79 79 VAL N N 79 124.000 123.227 0.773 1 1 909 . 11 1 1 A 80 80 PRO HA H 80 4.420 4.402 0.018 1 1 916 . 11 1 1 A 80 80 PRO CA C 80 62.900 63.130 -0.230 1 1 917 . 11 1 1 A 80 80 PRO CB C 80 31.900 31.837 0.063 1 1 920 . 11 1 1 A 81 81 ILE H H 81 8.210 8.298 -0.088 1 1 921 . 11 1 1 A 81 81 ILE HA H 81 4.110 4.280 -0.170 1 1 931 . 11 1 1 A 81 81 ILE CA C 81 61.200 60.414 0.786 1 1 932 . 11 1 1 A 81 81 ILE CB C 81 38.600 39.620 -1.020 1 1 936 . 11 1 1 A 81 81 ILE N N 81 121.300 123.052 -1.752 1 1 937 . 11 1 1 A 82 82 GLU H H 82 8.510 8.529 -0.019 1 1 938 . 11 1 1 A 82 82 GLU HA H 82 4.300 4.508 -0.208 1 1 943 . 11 1 1 A 82 82 GLU CA C 82 56.300 56.601 -0.301 1 1 944 . 11 1 1 A 82 82 GLU CB C 82 30.000 30.201 -0.201 1 1 946 . 11 1 1 A 82 82 GLU N N 82 124.600 126.208 -1.608 1 1 947 . 11 1 1 A 83 83 SER H H 83 8.330 8.790 -0.460 1 1 948 . 11 1 1 A 83 83 SER HA H 83 4.400 4.703 -0.303 1 1 951 . 11 1 1 A 83 83 SER CA C 83 58.500 55.959 2.541 1 1 952 . 11 1 1 A 83 83 SER CB C 83 63.600 65.625 -2.025 1 1 953 . 11 1 1 A 83 83 SER N N 83 116.900 121.046 -4.146 1 1 954 . 11 1 1 A 84 84 GLY H H 84 8.400 8.524 -0.124 1 1 955 . 11 1 1 A 84 84 GLY HA2 H 84 3.900 4.273 -0.373 1 1 956 . 11 1 1 A 84 84 GLY HA3 H 84 3.900 4.291 -0.391 1 1 957 . 11 1 1 A 84 84 GLY CA C 84 45.300 44.279 1.021 1 1 958 . 11 1 1 A 84 84 GLY N N 84 110.400 110.722 -0.322 1 1 959 . 11 1 1 A 85 85 TYR H H 85 8.000 8.853 -0.853 1 1 960 . 11 1 1 A 85 85 TYR HA H 85 4.600 4.808 -0.208 1 1 967 . 11 1 1 A 85 85 TYR CA C 85 57.900 56.853 1.047 1 1 968 . 11 1 1 A 85 85 TYR CB C 85 38.700 39.664 -0.964 1 1 971 . 11 1 1 A 85 85 TYR N N 85 120.000 123.558 -3.558 1 1 972 . 11 1 1 A 86 86 THR H H 86 8.070 8.539 -0.469 1 1 973 . 11 1 1 A 86 86 THR HA H 86 4.280 4.452 -0.172 1 1 978 . 11 1 1 A 86 86 THR CA C 86 61.600 63.252 -1.652 1 1 979 . 11 1 1 A 86 86 THR CB C 86 69.700 68.779 0.921 1 1 1 . 12 1 1 A 4 4 ASP H H 4 8.270 8.984 -0.714 1 1 2 . 12 1 1 A 4 4 ASP HA H 4 4.550 4.373 0.177 1 1 5 . 12 1 1 A 4 4 ASP CA C 4 54.700 55.220 -0.520 1 1 6 . 12 1 1 A 4 4 ASP CB C 4 41.400 40.300 1.100 1 1 7 . 12 1 1 A 4 4 ASP N N 4 121.200 122.368 -1.168 1 1 8 . 12 1 1 A 5 5 LYS HA H 5 4.160 3.989 0.171 1 1 13 . 12 1 1 A 5 5 LYS CA C 5 58.300 58.938 -0.638 1 1 14 . 12 1 1 A 5 5 LYS CB C 5 32.400 32.098 0.302 1 1 16 . 12 1 1 A 6 6 GLN H H 6 8.170 8.243 -0.073 1 1 17 . 12 1 1 A 6 6 GLN HA H 6 4.090 3.989 0.101 1 1 24 . 12 1 1 A 6 6 GLN CA C 6 59.000 59.529 -0.529 1 1 25 . 12 1 1 A 6 6 GLN CB C 6 28.500 28.142 0.358 1 1 27 . 12 1 1 A 6 6 GLN N N 6 117.400 118.465 -1.065 1 1 29 . 12 1 1 A 7 7 LYS H H 7 7.970 8.156 -0.186 1 1 30 . 12 1 1 A 7 7 LYS HA H 7 4.030 4.113 -0.083 1 1 39 . 12 1 1 A 7 7 LYS CA C 7 59.500 59.289 0.211 1 1 40 . 12 1 1 A 7 7 LYS CB C 7 32.500 31.938 0.562 1 1 44 . 12 1 1 A 7 7 LYS N N 7 119.400 118.051 1.349 1 1 45 . 12 1 1 A 8 8 ALA H H 8 7.980 8.122 -0.142 1 1 46 . 12 1 1 A 8 8 ALA HA H 8 4.110 4.036 0.074 1 1 50 . 12 1 1 A 8 8 ALA CA C 8 55.000 55.221 -0.221 1 1 51 . 12 1 1 A 8 8 ALA CB C 8 18.100 18.018 0.082 1 1 52 . 12 1 1 A 8 8 ALA N N 8 123.300 121.345 1.955 1 1 53 . 12 1 1 A 9 9 ILE H H 9 8.070 7.754 0.316 1 1 54 . 12 1 1 A 9 9 ILE HA H 9 3.760 3.720 0.040 1 1 64 . 12 1 1 A 9 9 ILE CA C 9 63.800 65.476 -1.676 1 1 65 . 12 1 1 A 9 9 ILE CB C 9 38.900 37.834 1.066 1 1 69 . 12 1 1 A 9 9 ILE N N 9 119.200 119.637 -0.437 1 1 70 . 12 1 1 A 10 10 PHE H H 10 8.020 8.241 -0.221 1 1 71 . 12 1 1 A 10 10 PHE HA H 10 4.720 3.970 0.750 1 1 79 . 12 1 1 A 10 10 PHE CA C 10 60.400 62.042 -1.642 1 1 80 . 12 1 1 A 10 10 PHE CB C 10 39.400 38.976 0.424 1 1 84 . 12 1 1 A 10 10 PHE N N 10 118.900 121.220 -2.320 1 1 85 . 12 1 1 A 11 11 SER H H 11 8.420 8.622 -0.202 1 1 86 . 12 1 1 A 11 11 SER HA H 11 3.890 3.894 -0.004 1 1 89 . 12 1 1 A 11 11 SER CA C 11 62.000 61.697 0.303 1 1 90 . 12 1 1 A 11 11 SER CB C 11 62.800 63.043 -0.243 1 1 91 . 12 1 1 A 11 11 SER N N 11 112.700 114.054 -1.354 1 1 92 . 12 1 1 A 12 12 GLU H H 12 8.050 8.171 -0.121 1 1 93 . 12 1 1 A 12 12 GLU HA H 12 4.130 3.999 0.131 1 1 98 . 12 1 1 A 12 12 GLU CA C 12 59.400 59.219 0.181 1 1 99 . 12 1 1 A 12 12 GLU CB C 12 29.100 29.137 -0.037 1 1 101 . 12 1 1 A 12 12 GLU N N 12 123.000 121.354 1.646 1 1 102 . 12 1 1 A 13 13 ASN H H 13 8.390 7.932 0.458 1 1 103 . 12 1 1 A 13 13 ASN HA H 13 4.470 4.466 0.004 1 1 108 . 12 1 1 A 13 13 ASN CA C 13 55.700 55.837 -0.137 1 1 109 . 12 1 1 A 13 13 ASN CB C 13 37.900 38.563 -0.663 1 1 110 . 12 1 1 A 13 13 ASN N N 13 119.100 117.339 1.761 1 1 112 . 12 1 1 A 14 14 LEU H H 14 9.170 7.888 1.282 1 1 113 . 12 1 1 A 14 14 LEU HA H 14 3.860 3.896 -0.036 1 1 123 . 12 1 1 A 14 14 LEU CA C 14 58.800 57.751 1.049 1 1 124 . 12 1 1 A 14 14 LEU CB C 14 41.100 41.047 0.053 1 1 128 . 12 1 1 A 14 14 LEU N N 14 122.200 121.117 1.083 1 1 129 . 12 1 1 A 15 15 ASN H H 15 8.700 8.458 0.242 1 1 130 . 12 1 1 A 15 15 ASN HA H 15 4.520 4.387 0.133 1 1 135 . 12 1 1 A 15 15 ASN CA C 15 56.600 56.705 -0.105 1 1 136 . 12 1 1 A 15 15 ASN CB C 15 37.900 39.545 -1.645 1 1 137 . 12 1 1 A 15 15 ASN N N 15 115.400 117.795 -2.395 1 1 139 . 12 1 1 A 16 16 SER H H 16 7.860 7.986 -0.126 1 1 140 . 12 1 1 A 16 16 SER HA H 16 4.250 4.074 0.176 1 1 143 . 12 1 1 A 16 16 SER CA C 16 61.400 62.184 -0.784 1 1 144 . 12 1 1 A 16 16 SER CB C 16 62.100 63.018 -0.918 1 1 145 . 12 1 1 A 16 16 SER N N 16 117.600 116.689 0.911 1 1 146 . 12 1 1 A 17 17 TYR H H 17 7.740 7.238 0.502 1 1 147 . 12 1 1 A 17 17 TYR HA H 17 3.900 4.256 -0.356 1 1 154 . 12 1 1 A 17 17 TYR CA C 17 63.500 60.677 2.823 1 1 155 . 12 1 1 A 17 17 TYR CB C 17 35.600 37.225 -1.625 1 1 158 . 12 1 1 A 17 17 TYR N N 17 120.700 119.396 1.304 1 1 159 . 12 1 1 A 18 18 ILE H H 18 8.660 8.000 0.660 1 1 160 . 12 1 1 A 18 18 ILE HA H 18 3.710 3.867 -0.157 1 1 170 . 12 1 1 A 18 18 ILE CA C 18 66.400 65.525 0.875 1 1 171 . 12 1 1 A 18 18 ILE CB C 18 38.300 38.401 -0.101 1 1 175 . 12 1 1 A 18 18 ILE N N 18 121.800 120.735 1.065 1 1 176 . 12 1 1 A 19 19 ALA H H 19 8.010 7.818 0.192 1 1 177 . 12 1 1 A 19 19 ALA HA H 19 4.220 4.140 0.080 1 1 181 . 12 1 1 A 19 19 ALA CA C 19 55.000 55.156 -0.156 1 1 182 . 12 1 1 A 19 19 ALA CB C 19 17.800 18.094 -0.294 1 1 183 . 12 1 1 A 19 19 ALA N N 19 121.900 122.214 -0.314 1 1 184 . 12 1 1 A 20 20 LYS H H 20 7.650 7.981 -0.331 1 1 185 . 12 1 1 A 20 20 LYS HA H 20 4.200 4.083 0.117 1 1 194 . 12 1 1 A 20 20 LYS CA C 20 57.900 59.188 -1.288 1 1 195 . 12 1 1 A 20 20 LYS CB C 20 33.000 32.280 0.720 1 1 199 . 12 1 1 A 20 20 LYS N N 20 116.500 117.971 -1.471 1 1 200 . 12 1 1 A 21 21 SER H H 21 8.000 8.175 -0.175 1 1 201 . 12 1 1 A 21 21 SER HA H 21 4.460 4.390 0.070 1 1 204 . 12 1 1 A 21 21 SER CA C 21 60.100 59.780 0.320 1 1 205 . 12 1 1 A 21 21 SER CB C 21 64.700 64.502 0.198 1 1 206 . 12 1 1 A 21 21 SER N N 21 114.400 112.079 2.321 1 1 207 . 12 1 1 A 22 22 GLU H H 22 7.970 8.017 -0.047 1 1 208 . 12 1 1 A 22 22 GLU HA H 22 4.140 4.005 0.135 1 1 213 . 12 1 1 A 22 22 GLU CA C 22 57.900 57.625 0.275 1 1 214 . 12 1 1 A 22 22 GLU CB C 22 27.700 28.698 -0.998 1 1 216 . 12 1 1 A 22 22 GLU N N 22 116.000 120.706 -4.706 1 1 217 . 12 1 1 A 23 23 LYS H H 23 8.070 7.904 0.166 1 1 218 . 12 1 1 A 23 23 LYS HA H 23 4.730 4.632 0.098 1 1 227 . 12 1 1 A 23 23 LYS CA C 23 53.800 55.332 -1.532 1 1 228 . 12 1 1 A 23 23 LYS CB C 23 34.300 33.947 0.353 1 1 232 . 12 1 1 A 23 23 LYS N N 23 119.500 119.766 -0.266 1 1 233 . 12 1 1 A 24 24 THR H H 24 8.690 8.677 0.013 1 1 234 . 12 1 1 A 24 24 THR HA H 24 4.460 4.608 -0.148 1 1 239 . 12 1 1 A 24 24 THR CA C 24 60.200 61.154 -0.954 1 1 240 . 12 1 1 A 24 24 THR CB C 24 71.200 70.271 0.929 1 1 242 . 12 1 1 A 24 24 THR N N 24 109.900 114.401 -4.501 1 1 243 . 12 1 1 A 25 25 GLN H H 25 8.840 9.035 -0.195 1 1 244 . 12 1 1 A 25 25 GLN HA H 25 3.640 3.903 -0.263 1 1 251 . 12 1 1 A 25 25 GLN CA C 25 59.900 59.146 0.754 1 1 252 . 12 1 1 A 25 25 GLN CB C 25 28.300 28.599 -0.299 1 1 254 . 12 1 1 A 25 25 GLN N N 25 118.500 122.012 -3.512 1 1 256 . 12 1 1 A 26 26 LEU H H 26 7.690 8.015 -0.325 1 1 257 . 12 1 1 A 26 26 LEU HA H 26 3.790 3.967 -0.177 1 1 267 . 12 1 1 A 26 26 LEU CA C 26 57.900 57.811 0.089 1 1 268 . 12 1 1 A 26 26 LEU CB C 26 41.800 41.435 0.365 1 1 272 . 12 1 1 A 26 26 LEU N N 26 116.000 121.090 -5.090 1 1 273 . 12 1 1 A 27 27 GLU H H 27 7.540 8.072 -0.532 1 1 274 . 12 1 1 A 27 27 GLU HA H 27 3.880 3.929 -0.049 1 1 279 . 12 1 1 A 27 27 GLU CA C 27 58.800 59.186 -0.386 1 1 280 . 12 1 1 A 27 27 GLU CB C 27 29.500 29.418 0.082 1 1 282 . 12 1 1 A 27 27 GLU N N 27 118.200 118.371 -0.171 1 1 283 . 12 1 1 A 28 28 ILE H H 28 7.710 7.994 -0.284 1 1 284 . 12 1 1 A 28 28 ILE HA H 28 2.970 3.427 -0.457 1 1 294 . 12 1 1 A 28 28 ILE CA C 28 65.100 64.932 0.168 1 1 295 . 12 1 1 A 28 28 ILE CB C 28 37.400 37.453 -0.053 1 1 299 . 12 1 1 A 28 28 ILE N N 28 121.400 119.491 1.909 1 1 300 . 12 1 1 A 29 29 ALA H H 29 7.690 8.033 -0.343 1 1 301 . 12 1 1 A 29 29 ALA HA H 29 3.230 3.642 -0.412 1 1 305 . 12 1 1 A 29 29 ALA CA C 29 55.300 55.367 -0.067 1 1 306 . 12 1 1 A 29 29 ALA CB C 29 16.300 18.163 -1.863 1 1 307 . 12 1 1 A 29 29 ALA N N 29 120.500 121.325 -0.825 1 1 308 . 12 1 1 A 30 30 LYS H H 30 7.580 7.679 -0.099 1 1 309 . 12 1 1 A 30 30 LYS HA H 30 4.050 3.977 0.073 1 1 318 . 12 1 1 A 30 30 LYS CA C 30 58.800 59.149 -0.349 1 1 319 . 12 1 1 A 30 30 LYS CB C 30 32.000 32.049 -0.049 1 1 323 . 12 1 1 A 30 30 LYS N N 30 114.800 117.536 -2.736 1 1 324 . 12 1 1 A 31 31 SER H H 31 7.680 7.516 0.164 1 1 325 . 12 1 1 A 31 31 SER HA H 31 4.220 4.137 0.083 1 1 328 . 12 1 1 A 31 31 SER CA C 31 62.300 62.053 0.247 1 1 329 . 12 1 1 A 31 31 SER CB C 31 63.300 62.584 0.716 1 1 330 . 12 1 1 A 31 31 SER N N 31 115.800 116.246 -0.446 1 1 331 . 12 1 1 A 32 32 ILE H H 32 7.800 7.400 0.400 1 1 332 . 12 1 1 A 32 32 ILE HA H 32 4.400 3.886 0.514 1 1 342 . 12 1 1 A 32 32 ILE CA C 32 60.300 62.895 -2.595 1 1 343 . 12 1 1 A 32 32 ILE CB C 32 37.500 38.718 -1.218 1 1 347 . 12 1 1 A 32 32 ILE N N 32 113.800 117.255 -3.455 1 1 348 . 12 1 1 A 33 33 GLY H H 33 7.880 8.066 -0.186 1 1 349 . 12 1 1 A 33 33 GLY HA2 H 33 3.890 4.054 -0.164 1 1 350 . 12 1 1 A 33 33 GLY HA3 H 33 4.040 4.084 -0.044 1 1 351 . 12 1 1 A 33 33 GLY CA C 33 46.800 45.010 1.790 1 1 352 . 12 1 1 A 33 33 GLY N N 33 110.500 108.649 1.851 1 1 353 . 12 1 1 A 34 34 VAL H H 34 7.910 7.735 0.175 1 1 354 . 12 1 1 A 34 34 VAL HA H 34 4.720 4.800 -0.080 1 1 362 . 12 1 1 A 34 34 VAL CA C 34 58.700 59.296 -0.596 1 1 363 . 12 1 1 A 34 34 VAL CB C 34 35.500 35.150 0.350 1 1 366 . 12 1 1 A 34 34 VAL N N 34 113.500 115.800 -2.300 1 1 367 . 12 1 1 A 35 35 SER H H 35 8.650 8.533 0.117 1 1 368 . 12 1 1 A 35 35 SER HA H 35 4.580 4.664 -0.084 1 1 371 . 12 1 1 A 35 35 SER CA C 35 55.900 56.912 -1.012 1 1 372 . 12 1 1 A 35 35 SER CB C 35 62.800 62.968 -0.168 1 1 373 . 12 1 1 A 35 35 SER N N 35 118.400 117.208 1.192 1 1 374 . 12 1 1 A 36 36 PRO HA H 36 3.950 4.239 -0.289 1 1 381 . 12 1 1 A 36 36 PRO CA C 36 65.100 65.291 -0.191 1 1 382 . 12 1 1 A 36 36 PRO CB C 36 31.500 31.927 -0.427 1 1 385 . 12 1 1 A 37 37 GLN H H 37 8.300 8.271 0.029 1 1 386 . 12 1 1 A 37 37 GLN HA H 37 4.030 4.073 -0.043 1 1 393 . 12 1 1 A 37 37 GLN CA C 37 59.400 58.998 0.402 1 1 394 . 12 1 1 A 37 37 GLN CB C 37 27.400 28.106 -0.706 1 1 396 . 12 1 1 A 37 37 GLN N N 37 117.300 117.208 0.092 1 1 398 . 12 1 1 A 38 38 THR H H 38 7.790 7.558 0.232 1 1 399 . 12 1 1 A 38 38 THR HA H 38 3.590 3.764 -0.174 1 1 404 . 12 1 1 A 38 38 THR CA C 38 66.000 66.062 -0.062 1 1 405 . 12 1 1 A 38 38 THR CB C 38 67.900 68.296 -0.396 1 1 407 . 12 1 1 A 38 38 THR N N 38 119.500 116.584 2.916 1 1 408 . 12 1 1 A 39 39 PHE H H 39 8.150 7.810 0.340 1 1 409 . 12 1 1 A 39 39 PHE HA H 39 2.690 3.609 -0.919 1 1 417 . 12 1 1 A 39 39 PHE CA C 39 60.700 61.074 -0.374 1 1 418 . 12 1 1 A 39 39 PHE CB C 39 39.500 39.035 0.465 1 1 422 . 12 1 1 A 39 39 PHE N N 39 123.200 121.931 1.269 1 1 423 . 12 1 1 A 40 40 ASN H H 40 8.270 8.453 -0.183 1 1 424 . 12 1 1 A 40 40 ASN HA H 40 4.410 4.472 -0.062 1 1 429 . 12 1 1 A 40 40 ASN CA C 40 56.800 56.471 0.329 1 1 430 . 12 1 1 A 40 40 ASN CB C 40 38.700 38.898 -0.198 1 1 431 . 12 1 1 A 40 40 ASN N N 40 115.400 116.914 -1.514 1 1 433 . 12 1 1 A 41 41 THR H H 41 7.520 7.705 -0.185 1 1 434 . 12 1 1 A 41 41 THR HA H 41 4.010 4.160 -0.150 1 1 439 . 12 1 1 A 41 41 THR CA C 41 66.000 65.017 0.983 1 1 440 . 12 1 1 A 41 41 THR CB C 41 69.100 68.508 0.592 1 1 442 . 12 1 1 A 41 41 THR N N 41 109.700 113.894 -4.194 1 1 443 . 12 1 1 A 42 42 TRP H H 42 7.190 6.860 0.330 1 1 444 . 12 1 1 A 42 42 TRP HA H 42 5.420 4.547 0.873 1 1 453 . 12 1 1 A 42 42 TRP CA C 42 56.300 59.597 -3.297 1 1 454 . 12 1 1 A 42 42 TRP CB C 42 28.400 29.623 -1.223 1 1 460 . 12 1 1 A 42 42 TRP N N 42 124.000 121.198 2.802 1 1 462 . 12 1 1 A 43 43 CYS H H 43 7.610 8.018 -0.408 1 1 463 . 12 1 1 A 43 43 CYS HA H 43 4.090 4.079 0.011 1 1 466 . 12 1 1 A 43 43 CYS CA C 43 62.600 62.599 0.001 1 1 467 . 12 1 1 A 43 43 CYS CB C 43 27.600 26.775 0.825 1 1 468 . 12 1 1 A 43 43 CYS N N 43 117.200 119.260 -2.060 1 1 469 . 12 1 1 A 44 44 LYS H H 44 7.870 7.856 0.014 1 1 470 . 12 1 1 A 44 44 LYS HA H 44 4.410 4.261 0.149 1 1 479 . 12 1 1 A 44 44 LYS CA C 44 55.500 56.174 -0.674 1 1 480 . 12 1 1 A 44 44 LYS CB C 44 33.100 32.811 0.289 1 1 484 . 12 1 1 A 44 44 LYS N N 44 115.700 117.368 -1.668 1 1 485 . 12 1 1 A 45 45 GLY H H 45 7.800 7.931 -0.131 1 1 486 . 12 1 1 A 45 45 GLY HA2 H 45 3.980 4.016 -0.036 1 1 487 . 12 1 1 A 45 45 GLY HA3 H 45 4.200 4.113 0.087 1 1 488 . 12 1 1 A 45 45 GLY CA C 45 46.100 46.727 -0.627 1 1 489 . 12 1 1 A 45 45 GLY N N 45 107.200 107.865 -0.665 1 1 490 . 12 1 1 A 46 46 ILE H H 46 7.890 8.742 -0.852 1 1 491 . 12 1 1 A 46 46 ILE HA H 46 4.110 4.058 0.052 1 1 501 . 12 1 1 A 46 46 ILE CA C 46 61.600 63.176 -1.576 1 1 502 . 12 1 1 A 46 46 ILE CB C 46 39.100 38.216 0.884 1 1 506 . 12 1 1 A 46 46 ILE N N 46 115.700 117.360 -1.660 1 1 507 . 12 1 1 A 47 47 ALA H H 47 7.540 7.791 -0.251 1 1 508 . 12 1 1 A 47 47 ALA HA H 47 4.590 4.813 -0.223 1 1 512 . 12 1 1 A 47 47 ALA CA C 47 50.700 50.737 -0.037 1 1 513 . 12 1 1 A 47 47 ALA CB C 47 22.600 22.932 -0.332 1 1 514 . 12 1 1 A 47 47 ALA N N 47 121.600 119.810 1.790 1 1 515 . 12 1 1 A 48 48 ILE H H 48 8.260 8.726 -0.466 1 1 516 . 12 1 1 A 48 48 ILE HA H 48 4.080 3.941 0.139 1 1 526 . 12 1 1 A 48 48 ILE CA C 48 56.600 56.660 -0.060 1 1 527 . 12 1 1 A 48 48 ILE CB C 48 40.800 39.409 1.391 1 1 531 . 12 1 1 A 48 48 ILE N N 48 118.900 119.952 -1.052 1 1 532 . 12 1 1 A 49 49 PRO HA H 49 4.230 4.529 -0.299 1 1 539 . 12 1 1 A 49 49 PRO CA C 49 61.300 61.893 -0.593 1 1 540 . 12 1 1 A 49 49 PRO CB C 49 31.900 32.518 -0.618 1 1 543 . 12 1 1 A 50 50 ARG H H 50 8.130 8.495 -0.365 1 1 544 . 12 1 1 A 50 50 ARG HA H 50 4.170 4.624 -0.454 1 1 551 . 12 1 1 A 50 50 ARG CA C 50 55.600 54.592 1.008 1 1 552 . 12 1 1 A 50 50 ARG CB C 50 30.500 32.069 -1.569 1 1 555 . 12 1 1 A 50 50 ARG N N 50 115.900 120.544 -4.644 1 1 556 . 12 1 1 A 51 51 MET H H 51 8.680 8.783 -0.103 1 1 557 . 12 1 1 A 51 51 MET HA H 51 4.120 4.117 0.003 1 1 565 . 12 1 1 A 51 51 MET CA C 51 57.700 58.625 -0.925 1 1 566 . 12 1 1 A 51 51 MET CB C 51 31.200 32.291 -1.091 1 1 569 . 12 1 1 A 51 51 MET N N 51 120.000 122.183 -2.183 1 1 570 . 12 1 1 A 52 52 GLY HA2 H 52 4.000 3.915 0.085 1 1 571 . 12 1 1 A 52 52 GLY HA3 H 52 3.920 3.919 0.001 1 1 572 . 12 1 1 A 52 52 GLY CA C 52 46.800 46.958 -0.158 1 1 573 . 12 1 1 A 53 53 LYS H H 53 7.520 7.836 -0.316 1 1 574 . 12 1 1 A 53 53 LYS HA H 53 4.450 4.281 0.169 1 1 583 . 12 1 1 A 53 53 LYS CA C 53 56.200 58.938 -2.738 1 1 584 . 12 1 1 A 53 53 LYS CB C 53 32.200 33.084 -0.884 1 1 588 . 12 1 1 A 53 53 LYS N N 53 119.900 122.435 -2.535 1 1 589 . 12 1 1 A 54 54 VAL H H 54 7.650 8.228 -0.578 1 1 590 . 12 1 1 A 54 54 VAL HA H 54 3.420 3.479 -0.059 1 1 598 . 12 1 1 A 54 54 VAL CA C 54 67.600 66.496 1.104 1 1 599 . 12 1 1 A 54 54 VAL CB C 54 30.600 31.296 -0.696 1 1 602 . 12 1 1 A 54 54 VAL N N 54 121.300 120.408 0.892 1 1 603 . 12 1 1 A 55 55 GLN H H 55 8.460 8.376 0.084 1 1 604 . 12 1 1 A 55 55 GLN HA H 55 3.790 4.007 -0.217 1 1 611 . 12 1 1 A 55 55 GLN CA C 55 58.000 58.272 -0.272 1 1 612 . 12 1 1 A 55 55 GLN CB C 55 28.200 28.528 -0.328 1 1 614 . 12 1 1 A 55 55 GLN N N 55 118.100 120.667 -2.567 1 1 616 . 12 1 1 A 56 56 ALA H H 56 7.550 7.968 -0.418 1 1 617 . 12 1 1 A 56 56 ALA HA H 56 4.310 4.160 0.150 1 1 621 . 12 1 1 A 56 56 ALA CA C 56 55.100 55.103 -0.003 1 1 622 . 12 1 1 A 56 56 ALA CB C 56 18.100 18.236 -0.136 1 1 623 . 12 1 1 A 56 56 ALA N N 56 120.300 122.360 -2.060 1 1 624 . 12 1 1 A 57 57 LEU H H 57 8.170 8.234 -0.064 1 1 625 . 12 1 1 A 57 57 LEU HA H 57 3.950 4.134 -0.184 1 1 635 . 12 1 1 A 57 57 LEU CA C 57 57.500 58.168 -0.668 1 1 636 . 12 1 1 A 57 57 LEU CB C 57 43.500 42.081 1.419 1 1 640 . 12 1 1 A 57 57 LEU N N 57 120.100 119.604 0.496 1 1 641 . 12 1 1 A 58 58 ALA H H 58 8.430 8.807 -0.377 1 1 642 . 12 1 1 A 58 58 ALA HA H 58 3.820 4.103 -0.283 1 1 646 . 12 1 1 A 58 58 ALA CA C 58 54.600 55.604 -1.004 1 1 647 . 12 1 1 A 58 58 ALA CB C 58 16.400 18.320 -1.920 1 1 648 . 12 1 1 A 58 58 ALA N N 58 122.600 121.383 1.217 1 1 649 . 12 1 1 A 59 59 ASP H H 59 8.790 8.494 0.296 1 1 650 . 12 1 1 A 59 59 ASP HA H 59 4.440 4.410 0.030 1 1 653 . 12 1 1 A 59 59 ASP CA C 59 57.000 57.275 -0.275 1 1 654 . 12 1 1 A 59 59 ASP CB C 59 39.800 41.077 -1.277 1 1 655 . 12 1 1 A 59 59 ASP N N 59 117.900 118.816 -0.916 1 1 656 . 12 1 1 A 60 60 TYR H H 60 8.050 7.820 0.230 1 1 657 . 12 1 1 A 60 60 TYR HA H 60 3.820 4.132 -0.312 1 1 664 . 12 1 1 A 60 60 TYR CA C 60 62.000 61.291 0.709 1 1 665 . 12 1 1 A 60 60 TYR CB C 60 38.200 38.347 -0.147 1 1 668 . 12 1 1 A 60 60 TYR N N 60 122.300 120.582 1.718 1 1 669 . 12 1 1 A 61 61 PHE H H 61 7.860 7.760 0.100 1 1 670 . 12 1 1 A 61 61 PHE HA H 61 4.530 4.522 0.008 1 1 678 . 12 1 1 A 61 61 PHE CA C 61 58.000 57.439 0.561 1 1 679 . 12 1 1 A 61 61 PHE CB C 61 39.800 39.604 0.196 1 1 683 . 12 1 1 A 61 61 PHE N N 61 114.100 114.005 0.095 1 1 684 . 12 1 1 A 62 62 ASN H H 62 8.040 7.963 0.077 1 1 685 . 12 1 1 A 62 62 ASN HA H 62 4.420 4.367 0.053 1 1 690 . 12 1 1 A 62 62 ASN CA C 62 54.200 53.888 0.312 1 1 691 . 12 1 1 A 62 62 ASN CB C 62 36.800 36.953 -0.153 1 1 692 . 12 1 1 A 62 62 ASN N N 62 118.100 118.812 -0.712 1 1 694 . 12 1 1 A 63 63 ILE H H 63 8.360 8.031 0.329 1 1 695 . 12 1 1 A 63 63 ILE HA H 63 4.710 4.857 -0.147 1 1 705 . 12 1 1 A 63 63 ILE CA C 63 59.600 58.325 1.275 1 1 706 . 12 1 1 A 63 63 ILE CB C 63 39.700 42.052 -2.352 1 1 710 . 12 1 1 A 63 63 ILE N N 63 112.700 113.648 -0.948 1 1 711 . 12 1 1 A 64 64 ASN H H 64 8.860 8.767 0.093 1 1 712 . 12 1 1 A 64 64 ASN HA H 64 4.990 5.022 -0.032 1 1 717 . 12 1 1 A 64 64 ASN CA C 64 52.100 52.060 0.040 1 1 718 . 12 1 1 A 64 64 ASN CB C 64 40.600 40.135 0.465 1 1 719 . 12 1 1 A 64 64 ASN N N 64 117.400 119.824 -2.424 1 1 721 . 12 1 1 A 65 65 LYS H H 65 9.250 8.875 0.375 1 1 722 . 12 1 1 A 65 65 LYS HA H 65 3.720 4.068 -0.348 1 1 731 . 12 1 1 A 65 65 LYS CA C 65 60.900 58.885 2.015 1 1 732 . 12 1 1 A 65 65 LYS CB C 65 31.200 31.984 -0.784 1 1 736 . 12 1 1 A 65 65 LYS N N 65 123.200 122.186 1.014 1 1 737 . 12 1 1 A 66 66 SER H H 66 8.700 8.343 0.357 1 1 738 . 12 1 1 A 66 66 SER HA H 66 4.050 4.308 -0.258 1 1 741 . 12 1 1 A 66 66 SER CA C 66 61.200 60.749 0.451 1 1 742 . 12 1 1 A 66 66 SER CB C 66 62.200 62.427 -0.227 1 1 743 . 12 1 1 A 66 66 SER N N 66 114.300 114.691 -0.391 1 1 744 . 12 1 1 A 67 67 ASP H H 67 7.510 8.141 -0.631 1 1 745 . 12 1 1 A 67 67 ASP HA H 67 4.500 4.472 0.028 1 1 748 . 12 1 1 A 67 67 ASP CA C 67 56.700 56.935 -0.235 1 1 749 . 12 1 1 A 67 67 ASP CB C 67 41.000 40.237 0.763 1 1 750 . 12 1 1 A 67 67 ASP N N 67 119.800 121.907 -2.107 1 1 751 . 12 1 1 A 68 68 LEU H H 68 7.440 7.417 0.023 1 1 752 . 12 1 1 A 68 68 LEU HA H 68 4.500 4.303 0.197 1 1 762 . 12 1 1 A 68 68 LEU CA C 68 55.700 55.864 -0.164 1 1 763 . 12 1 1 A 68 68 LEU CB C 68 43.500 42.698 0.802 1 1 767 . 12 1 1 A 68 68 LEU N N 68 113.800 117.683 -3.883 1 1 768 . 12 1 1 A 69 69 ILE H H 69 7.500 7.595 -0.095 1 1 769 . 12 1 1 A 69 69 ILE HA H 69 4.390 4.091 0.299 1 1 779 . 12 1 1 A 69 69 ILE CA C 69 61.700 63.301 -1.601 1 1 780 . 12 1 1 A 69 69 ILE CB C 69 39.600 39.234 0.366 1 1 784 . 12 1 1 A 69 69 ILE N N 69 112.800 116.859 -4.059 1 1 785 . 12 1 1 A 70 70 GLU H H 70 7.680 8.100 -0.420 1 1 786 . 12 1 1 A 70 70 GLU HA H 70 4.500 4.615 -0.115 1 1 791 . 12 1 1 A 70 70 GLU CA C 70 55.200 55.150 0.050 1 1 792 . 12 1 1 A 70 70 GLU CB C 70 30.800 30.837 -0.037 1 1 794 . 12 1 1 A 70 70 GLU N N 70 118.300 118.983 -0.683 1 1 795 . 12 1 1 A 71 71 ASP H H 71 8.660 8.665 -0.005 1 1 796 . 12 1 1 A 71 71 ASP HA H 71 4.640 4.716 -0.076 1 1 799 . 12 1 1 A 71 71 ASP CA C 71 53.400 54.015 -0.615 1 1 800 . 12 1 1 A 71 71 ASP CB C 71 40.800 41.940 -1.140 1 1 801 . 12 1 1 A 71 71 ASP N N 71 121.100 121.584 -0.484 1 1 802 . 12 1 1 A 72 72 LYS H H 72 8.980 8.774 0.206 1 1 803 . 12 1 1 A 72 72 LYS HA H 72 4.270 4.218 0.052 1 1 812 . 12 1 1 A 72 72 LYS CA C 72 56.400 58.124 -1.724 1 1 813 . 12 1 1 A 72 72 LYS CB C 72 32.400 31.880 0.520 1 1 817 . 12 1 1 A 72 72 LYS N N 72 126.200 122.539 3.661 1 1 818 . 12 1 1 A 73 73 LYS H H 73 8.460 7.682 0.778 1 1 819 . 12 1 1 A 73 73 LYS HA H 73 4.180 4.475 -0.295 1 1 828 . 12 1 1 A 73 73 LYS CA C 73 56.500 56.162 0.338 1 1 829 . 12 1 1 A 73 73 LYS CB C 73 31.600 32.378 -0.778 1 1 833 . 12 1 1 A 73 73 LYS N N 73 120.300 119.673 0.627 1 1 834 . 12 1 1 A 74 74 LEU H H 74 7.910 7.225 0.685 1 1 835 . 12 1 1 A 74 74 LEU HA H 74 4.260 4.356 -0.096 1 1 845 . 12 1 1 A 74 74 LEU CA C 74 55.000 54.514 0.486 1 1 846 . 12 1 1 A 74 74 LEU CB C 74 42.200 40.542 1.658 1 1 850 . 12 1 1 A 74 74 LEU N N 74 120.900 121.933 -1.033 1 1 851 . 12 1 1 A 75 75 ASN H H 75 8.320 8.308 0.012 1 1 852 . 12 1 1 A 75 75 ASN HA H 75 4.710 5.048 -0.338 1 1 857 . 12 1 1 A 75 75 ASN CA C 75 53.000 53.154 -0.154 1 1 858 . 12 1 1 A 75 75 ASN CB C 75 38.700 38.435 0.265 1 1 859 . 12 1 1 A 75 75 ASN N N 75 119.300 123.181 -3.881 1 1 861 . 12 1 1 A 76 76 ILE H H 76 8.010 8.417 -0.407 1 1 862 . 12 1 1 A 76 76 ILE HA H 76 4.180 4.145 0.035 1 1 872 . 12 1 1 A 76 76 ILE CA C 76 61.000 62.168 -1.168 1 1 873 . 12 1 1 A 76 76 ILE CB C 76 38.700 38.129 0.571 1 1 877 . 12 1 1 A 76 76 ILE N N 76 120.200 125.654 -5.454 1 1 878 . 12 1 1 A 77 77 ASP H H 77 8.390 8.878 -0.488 1 1 879 . 12 1 1 A 77 77 ASP HA H 77 4.660 5.019 -0.359 1 1 882 . 12 1 1 A 77 77 ASP CA C 77 54.200 53.061 1.139 1 1 883 . 12 1 1 A 77 77 ASP CB C 77 41.100 40.729 0.371 1 1 884 . 12 1 1 A 77 77 ASP N N 77 123.500 127.857 -4.357 1 1 885 . 12 1 1 A 78 78 THR H H 78 8.010 8.610 -0.600 1 1 886 . 12 1 1 A 78 78 THR HA H 78 4.310 4.437 -0.127 1 1 891 . 12 1 1 A 78 78 THR CA C 78 61.600 61.973 -0.373 1 1 892 . 12 1 1 A 78 78 THR CB C 78 69.700 68.806 0.894 1 1 894 . 12 1 1 A 78 78 THR N N 78 114.200 117.553 -3.353 1 1 895 . 12 1 1 A 79 79 VAL H H 79 8.090 8.534 -0.444 1 1 896 . 12 1 1 A 79 79 VAL HA H 79 4.390 4.645 -0.255 1 1 904 . 12 1 1 A 79 79 VAL CA C 79 59.900 59.222 0.678 1 1 905 . 12 1 1 A 79 79 VAL CB C 79 32.400 33.233 -0.833 1 1 908 . 12 1 1 A 79 79 VAL N N 79 124.000 127.503 -3.503 1 1 909 . 12 1 1 A 80 80 PRO HA H 80 4.420 4.624 -0.204 1 1 916 . 12 1 1 A 80 80 PRO CA C 80 62.900 62.296 0.604 1 1 917 . 12 1 1 A 80 80 PRO CB C 80 31.900 33.139 -1.239 1 1 920 . 12 1 1 A 81 81 ILE H H 81 8.210 8.369 -0.159 1 1 921 . 12 1 1 A 81 81 ILE HA H 81 4.110 4.693 -0.583 1 1 931 . 12 1 1 A 81 81 ILE CA C 81 61.200 59.164 2.036 1 1 932 . 12 1 1 A 81 81 ILE CB C 81 38.600 41.879 -3.279 1 1 936 . 12 1 1 A 81 81 ILE N N 81 121.300 121.478 -0.178 1 1 937 . 12 1 1 A 82 82 GLU H H 82 8.510 8.787 -0.277 1 1 938 . 12 1 1 A 82 82 GLU HA H 82 4.300 4.502 -0.202 1 1 943 . 12 1 1 A 82 82 GLU CA C 82 56.300 55.675 0.625 1 1 944 . 12 1 1 A 82 82 GLU CB C 82 30.000 29.676 0.324 1 1 946 . 12 1 1 A 82 82 GLU N N 82 124.600 130.769 -6.169 1 1 947 . 12 1 1 A 83 83 SER H H 83 8.330 8.547 -0.217 1 1 948 . 12 1 1 A 83 83 SER HA H 83 4.400 5.150 -0.750 1 1 951 . 12 1 1 A 83 83 SER CA C 83 58.500 57.321 1.179 1 1 952 . 12 1 1 A 83 83 SER CB C 83 63.600 66.457 -2.857 1 1 953 . 12 1 1 A 83 83 SER N N 83 116.900 122.855 -5.955 1 1 954 . 12 1 1 A 84 84 GLY H H 84 8.400 8.278 0.122 1 1 955 . 12 1 1 A 84 84 GLY HA2 H 84 3.900 3.811 0.089 1 1 956 . 12 1 1 A 84 84 GLY HA3 H 84 3.900 3.973 -0.073 1 1 957 . 12 1 1 A 84 84 GLY CA C 84 45.300 44.203 1.097 1 1 958 . 12 1 1 A 84 84 GLY N N 84 110.400 110.776 -0.376 1 1 959 . 12 1 1 A 85 85 TYR H H 85 8.000 8.353 -0.353 1 1 960 . 12 1 1 A 85 85 TYR HA H 85 4.600 5.265 -0.665 1 1 967 . 12 1 1 A 85 85 TYR CA C 85 57.900 56.844 1.056 1 1 968 . 12 1 1 A 85 85 TYR CB C 85 38.700 42.524 -3.824 1 1 971 . 12 1 1 A 85 85 TYR N N 85 120.000 119.488 0.512 1 1 972 . 12 1 1 A 86 86 THR H H 86 8.070 8.918 -0.848 1 1 973 . 12 1 1 A 86 86 THR HA H 86 4.280 5.027 -0.747 1 1 978 . 12 1 1 A 86 86 THR CA C 86 61.600 59.375 2.225 1 1 979 . 12 1 1 A 86 86 THR CB C 86 69.700 71.394 -1.694 1 1 1 . 13 1 1 A 4 4 ASP H H 4 8.270 8.053 0.217 1 1 2 . 13 1 1 A 4 4 ASP HA H 4 4.550 4.596 -0.046 1 1 5 . 13 1 1 A 4 4 ASP CA C 4 54.700 54.376 0.324 1 1 6 . 13 1 1 A 4 4 ASP CB C 4 41.400 41.094 0.306 1 1 7 . 13 1 1 A 4 4 ASP N N 4 121.200 122.099 -0.899 1 1 8 . 13 1 1 A 5 5 LYS HA H 5 4.160 3.906 0.254 1 1 13 . 13 1 1 A 5 5 LYS CA C 5 58.300 59.688 -1.388 1 1 14 . 13 1 1 A 5 5 LYS CB C 5 32.400 32.221 0.179 1 1 16 . 13 1 1 A 6 6 GLN H H 6 8.170 7.969 0.201 1 1 17 . 13 1 1 A 6 6 GLN HA H 6 4.090 4.044 0.046 1 1 24 . 13 1 1 A 6 6 GLN CA C 6 59.000 58.923 0.077 1 1 25 . 13 1 1 A 6 6 GLN CB C 6 28.500 28.182 0.318 1 1 27 . 13 1 1 A 6 6 GLN N N 6 117.400 117.887 -0.487 1 1 29 . 13 1 1 A 7 7 LYS H H 7 7.970 8.067 -0.097 1 1 30 . 13 1 1 A 7 7 LYS HA H 7 4.030 4.062 -0.032 1 1 39 . 13 1 1 A 7 7 LYS CA C 7 59.500 59.191 0.309 1 1 40 . 13 1 1 A 7 7 LYS CB C 7 32.500 32.177 0.323 1 1 44 . 13 1 1 A 7 7 LYS N N 7 119.400 119.163 0.237 1 1 45 . 13 1 1 A 8 8 ALA H H 8 7.980 7.901 0.079 1 1 46 . 13 1 1 A 8 8 ALA HA H 8 4.110 4.215 -0.105 1 1 50 . 13 1 1 A 8 8 ALA CA C 8 55.000 54.810 0.190 1 1 51 . 13 1 1 A 8 8 ALA CB C 8 18.100 18.351 -0.251 1 1 52 . 13 1 1 A 8 8 ALA N N 8 123.300 121.993 1.307 1 1 53 . 13 1 1 A 9 9 ILE H H 9 8.070 8.161 -0.091 1 1 54 . 13 1 1 A 9 9 ILE HA H 9 3.760 3.689 0.071 1 1 64 . 13 1 1 A 9 9 ILE CA C 9 63.800 65.210 -1.410 1 1 65 . 13 1 1 A 9 9 ILE CB C 9 38.900 37.318 1.582 1 1 69 . 13 1 1 A 9 9 ILE N N 9 119.200 119.955 -0.755 1 1 70 . 13 1 1 A 10 10 PHE H H 10 8.020 8.745 -0.725 1 1 71 . 13 1 1 A 10 10 PHE HA H 10 4.720 3.998 0.722 1 1 79 . 13 1 1 A 10 10 PHE CA C 10 60.400 61.968 -1.568 1 1 80 . 13 1 1 A 10 10 PHE CB C 10 39.400 38.977 0.423 1 1 84 . 13 1 1 A 10 10 PHE N N 10 118.900 121.201 -2.301 1 1 85 . 13 1 1 A 11 11 SER H H 11 8.420 8.279 0.141 1 1 86 . 13 1 1 A 11 11 SER HA H 11 3.890 4.097 -0.207 1 1 89 . 13 1 1 A 11 11 SER CA C 11 62.000 61.613 0.387 1 1 90 . 13 1 1 A 11 11 SER CB C 11 62.800 62.339 0.461 1 1 91 . 13 1 1 A 11 11 SER N N 11 112.700 113.783 -1.083 1 1 92 . 13 1 1 A 12 12 GLU H H 12 8.050 8.307 -0.257 1 1 93 . 13 1 1 A 12 12 GLU HA H 12 4.130 3.945 0.185 1 1 98 . 13 1 1 A 12 12 GLU CA C 12 59.400 59.502 -0.102 1 1 99 . 13 1 1 A 12 12 GLU CB C 12 29.100 29.116 -0.016 1 1 101 . 13 1 1 A 12 12 GLU N N 12 123.000 122.038 0.962 1 1 102 . 13 1 1 A 13 13 ASN H H 13 8.390 8.100 0.290 1 1 103 . 13 1 1 A 13 13 ASN HA H 13 4.470 4.416 0.054 1 1 108 . 13 1 1 A 13 13 ASN CA C 13 55.700 56.289 -0.589 1 1 109 . 13 1 1 A 13 13 ASN CB C 13 37.900 38.253 -0.353 1 1 110 . 13 1 1 A 13 13 ASN N N 13 119.100 118.894 0.206 1 1 112 . 13 1 1 A 14 14 LEU H H 14 9.170 7.877 1.293 1 1 113 . 13 1 1 A 14 14 LEU HA H 14 3.860 4.009 -0.149 1 1 123 . 13 1 1 A 14 14 LEU CA C 14 58.800 57.740 1.060 1 1 124 . 13 1 1 A 14 14 LEU CB C 14 41.100 41.141 -0.041 1 1 128 . 13 1 1 A 14 14 LEU N N 14 122.200 121.039 1.161 1 1 129 . 13 1 1 A 15 15 ASN H H 15 8.700 8.603 0.097 1 1 130 . 13 1 1 A 15 15 ASN HA H 15 4.520 4.456 0.064 1 1 135 . 13 1 1 A 15 15 ASN CA C 15 56.600 56.402 0.198 1 1 136 . 13 1 1 A 15 15 ASN CB C 15 37.900 38.971 -1.071 1 1 137 . 13 1 1 A 15 15 ASN N N 15 115.400 117.814 -2.414 1 1 139 . 13 1 1 A 16 16 SER H H 16 7.860 7.902 -0.042 1 1 140 . 13 1 1 A 16 16 SER HA H 16 4.250 4.049 0.201 1 1 143 . 13 1 1 A 16 16 SER CA C 16 61.400 61.130 0.270 1 1 144 . 13 1 1 A 16 16 SER CB C 16 62.100 62.922 -0.822 1 1 145 . 13 1 1 A 16 16 SER N N 16 117.600 114.194 3.406 1 1 146 . 13 1 1 A 17 17 TYR H H 17 7.740 7.319 0.421 1 1 147 . 13 1 1 A 17 17 TYR HA H 17 3.900 4.351 -0.451 1 1 154 . 13 1 1 A 17 17 TYR CA C 17 63.500 61.250 2.250 1 1 155 . 13 1 1 A 17 17 TYR CB C 17 35.600 37.932 -2.332 1 1 158 . 13 1 1 A 17 17 TYR N N 17 120.700 118.361 2.339 1 1 159 . 13 1 1 A 18 18 ILE H H 18 8.660 7.958 0.702 1 1 160 . 13 1 1 A 18 18 ILE HA H 18 3.710 3.797 -0.087 1 1 170 . 13 1 1 A 18 18 ILE CA C 18 66.400 65.527 0.873 1 1 171 . 13 1 1 A 18 18 ILE CB C 18 38.300 38.411 -0.111 1 1 175 . 13 1 1 A 18 18 ILE N N 18 121.800 120.288 1.512 1 1 176 . 13 1 1 A 19 19 ALA H H 19 8.010 8.626 -0.616 1 1 177 . 13 1 1 A 19 19 ALA HA H 19 4.220 4.150 0.070 1 1 181 . 13 1 1 A 19 19 ALA CA C 19 55.000 55.153 -0.153 1 1 182 . 13 1 1 A 19 19 ALA CB C 19 17.800 18.024 -0.224 1 1 183 . 13 1 1 A 19 19 ALA N N 19 121.900 122.074 -0.174 1 1 184 . 13 1 1 A 20 20 LYS H H 20 7.650 7.823 -0.173 1 1 185 . 13 1 1 A 20 20 LYS HA H 20 4.200 4.023 0.177 1 1 194 . 13 1 1 A 20 20 LYS CA C 20 57.900 59.478 -1.578 1 1 195 . 13 1 1 A 20 20 LYS CB C 20 33.000 32.403 0.597 1 1 199 . 13 1 1 A 20 20 LYS N N 20 116.500 118.634 -2.134 1 1 200 . 13 1 1 A 21 21 SER H H 21 8.000 7.957 0.043 1 1 201 . 13 1 1 A 21 21 SER HA H 21 4.460 4.538 -0.078 1 1 204 . 13 1 1 A 21 21 SER CA C 21 60.100 58.542 1.558 1 1 205 . 13 1 1 A 21 21 SER CB C 21 64.700 63.897 0.803 1 1 206 . 13 1 1 A 21 21 SER N N 21 114.400 115.455 -1.055 1 1 207 . 13 1 1 A 22 22 GLU H H 22 7.970 8.914 -0.944 1 1 208 . 13 1 1 A 22 22 GLU HA H 22 4.140 4.594 -0.454 1 1 213 . 13 1 1 A 22 22 GLU CA C 22 57.900 56.102 1.798 1 1 214 . 13 1 1 A 22 22 GLU CB C 22 27.700 29.959 -2.259 1 1 216 . 13 1 1 A 22 22 GLU N N 22 116.000 123.344 -7.344 1 1 217 . 13 1 1 A 23 23 LYS H H 23 8.070 7.557 0.513 1 1 218 . 13 1 1 A 23 23 LYS HA H 23 4.730 4.963 -0.233 1 1 227 . 13 1 1 A 23 23 LYS CA C 23 53.800 54.890 -1.090 1 1 228 . 13 1 1 A 23 23 LYS CB C 23 34.300 35.484 -1.184 1 1 232 . 13 1 1 A 23 23 LYS N N 23 119.500 121.856 -2.356 1 1 233 . 13 1 1 A 24 24 THR H H 24 8.690 8.782 -0.092 1 1 234 . 13 1 1 A 24 24 THR HA H 24 4.460 4.684 -0.224 1 1 239 . 13 1 1 A 24 24 THR CA C 24 60.200 60.589 -0.389 1 1 240 . 13 1 1 A 24 24 THR CB C 24 71.200 70.566 0.634 1 1 242 . 13 1 1 A 24 24 THR N N 24 109.900 115.066 -5.166 1 1 243 . 13 1 1 A 25 25 GLN H H 25 8.840 8.988 -0.148 1 1 244 . 13 1 1 A 25 25 GLN HA H 25 3.640 3.860 -0.220 1 1 251 . 13 1 1 A 25 25 GLN CA C 25 59.900 59.064 0.836 1 1 252 . 13 1 1 A 25 25 GLN CB C 25 28.300 28.416 -0.116 1 1 254 . 13 1 1 A 25 25 GLN N N 25 118.500 121.938 -3.438 1 1 256 . 13 1 1 A 26 26 LEU H H 26 7.690 8.086 -0.396 1 1 257 . 13 1 1 A 26 26 LEU HA H 26 3.790 3.891 -0.101 1 1 267 . 13 1 1 A 26 26 LEU CA C 26 57.900 57.751 0.149 1 1 268 . 13 1 1 A 26 26 LEU CB C 26 41.800 41.582 0.218 1 1 272 . 13 1 1 A 26 26 LEU N N 26 116.000 121.060 -5.060 1 1 273 . 13 1 1 A 27 27 GLU H H 27 7.540 7.997 -0.457 1 1 274 . 13 1 1 A 27 27 GLU HA H 27 3.880 3.917 -0.037 1 1 279 . 13 1 1 A 27 27 GLU CA C 27 58.800 59.172 -0.372 1 1 280 . 13 1 1 A 27 27 GLU CB C 27 29.500 29.553 -0.053 1 1 282 . 13 1 1 A 27 27 GLU N N 27 118.200 118.927 -0.727 1 1 283 . 13 1 1 A 28 28 ILE H H 28 7.710 7.490 0.220 1 1 284 . 13 1 1 A 28 28 ILE HA H 28 2.970 3.200 -0.230 1 1 294 . 13 1 1 A 28 28 ILE CA C 28 65.100 65.354 -0.254 1 1 295 . 13 1 1 A 28 28 ILE CB C 28 37.400 39.162 -1.762 1 1 299 . 13 1 1 A 28 28 ILE N N 28 121.400 119.532 1.868 1 1 300 . 13 1 1 A 29 29 ALA H H 29 7.690 8.269 -0.579 1 1 301 . 13 1 1 A 29 29 ALA HA H 29 3.230 3.776 -0.546 1 1 305 . 13 1 1 A 29 29 ALA CA C 29 55.300 55.556 -0.256 1 1 306 . 13 1 1 A 29 29 ALA CB C 29 16.300 18.354 -2.054 1 1 307 . 13 1 1 A 29 29 ALA N N 29 120.500 121.685 -1.185 1 1 308 . 13 1 1 A 30 30 LYS H H 30 7.580 7.953 -0.373 1 1 309 . 13 1 1 A 30 30 LYS HA H 30 4.050 3.891 0.159 1 1 318 . 13 1 1 A 30 30 LYS CA C 30 58.800 59.315 -0.515 1 1 319 . 13 1 1 A 30 30 LYS CB C 30 32.000 32.168 -0.168 1 1 323 . 13 1 1 A 30 30 LYS N N 30 114.800 118.741 -3.941 1 1 324 . 13 1 1 A 31 31 SER H H 31 7.680 7.806 -0.126 1 1 325 . 13 1 1 A 31 31 SER HA H 31 4.220 4.177 0.043 1 1 328 . 13 1 1 A 31 31 SER CA C 31 62.300 62.446 -0.146 1 1 329 . 13 1 1 A 31 31 SER CB C 31 63.300 62.724 0.576 1 1 330 . 13 1 1 A 31 31 SER N N 31 115.800 116.641 -0.841 1 1 331 . 13 1 1 A 32 32 ILE H H 32 7.800 7.740 0.060 1 1 332 . 13 1 1 A 32 32 ILE HA H 32 4.400 3.930 0.470 1 1 342 . 13 1 1 A 32 32 ILE CA C 32 60.300 63.085 -2.785 1 1 343 . 13 1 1 A 32 32 ILE CB C 32 37.500 38.680 -1.180 1 1 347 . 13 1 1 A 32 32 ILE N N 32 113.800 117.363 -3.563 1 1 348 . 13 1 1 A 33 33 GLY H H 33 7.880 7.988 -0.108 1 1 349 . 13 1 1 A 33 33 GLY HA2 H 33 3.890 4.077 -0.187 1 1 350 . 13 1 1 A 33 33 GLY HA3 H 33 4.040 4.102 -0.062 1 1 351 . 13 1 1 A 33 33 GLY CA C 33 46.800 45.022 1.778 1 1 352 . 13 1 1 A 33 33 GLY N N 33 110.500 108.660 1.840 1 1 353 . 13 1 1 A 34 34 VAL H H 34 7.910 7.781 0.129 1 1 354 . 13 1 1 A 34 34 VAL HA H 34 4.720 4.792 -0.072 1 1 362 . 13 1 1 A 34 34 VAL CA C 34 58.700 59.459 -0.759 1 1 363 . 13 1 1 A 34 34 VAL CB C 34 35.500 34.904 0.596 1 1 366 . 13 1 1 A 34 34 VAL N N 34 113.500 116.561 -3.061 1 1 367 . 13 1 1 A 35 35 SER H H 35 8.650 8.486 0.164 1 1 368 . 13 1 1 A 35 35 SER HA H 35 4.580 4.591 -0.011 1 1 371 . 13 1 1 A 35 35 SER CA C 35 55.900 57.196 -1.296 1 1 372 . 13 1 1 A 35 35 SER CB C 35 62.800 62.474 0.326 1 1 373 . 13 1 1 A 35 35 SER N N 35 118.400 118.797 -0.397 1 1 374 . 13 1 1 A 36 36 PRO HA H 36 3.950 4.275 -0.325 1 1 381 . 13 1 1 A 36 36 PRO CA C 36 65.100 65.062 0.038 1 1 382 . 13 1 1 A 36 36 PRO CB C 36 31.500 32.045 -0.545 1 1 385 . 13 1 1 A 37 37 GLN H H 37 8.300 8.163 0.137 1 1 386 . 13 1 1 A 37 37 GLN HA H 37 4.030 4.041 -0.011 1 1 393 . 13 1 1 A 37 37 GLN CA C 37 59.400 58.859 0.541 1 1 394 . 13 1 1 A 37 37 GLN CB C 37 27.400 28.439 -1.039 1 1 396 . 13 1 1 A 37 37 GLN N N 37 117.300 117.335 -0.035 1 1 398 . 13 1 1 A 38 38 THR H H 38 7.790 7.591 0.199 1 1 399 . 13 1 1 A 38 38 THR HA H 38 3.590 3.754 -0.164 1 1 404 . 13 1 1 A 38 38 THR CA C 38 66.000 66.204 -0.204 1 1 405 . 13 1 1 A 38 38 THR CB C 38 67.900 68.150 -0.250 1 1 407 . 13 1 1 A 38 38 THR N N 38 119.500 117.607 1.893 1 1 408 . 13 1 1 A 39 39 PHE H H 39 8.150 8.096 0.054 1 1 409 . 13 1 1 A 39 39 PHE HA H 39 2.690 3.568 -0.878 1 1 417 . 13 1 1 A 39 39 PHE CA C 39 60.700 61.393 -0.693 1 1 418 . 13 1 1 A 39 39 PHE CB C 39 39.500 38.860 0.640 1 1 422 . 13 1 1 A 39 39 PHE N N 39 123.200 123.015 0.185 1 1 423 . 13 1 1 A 40 40 ASN H H 40 8.270 8.500 -0.230 1 1 424 . 13 1 1 A 40 40 ASN HA H 40 4.410 4.482 -0.072 1 1 429 . 13 1 1 A 40 40 ASN CA C 40 56.800 56.457 0.343 1 1 430 . 13 1 1 A 40 40 ASN CB C 40 38.700 38.808 -0.108 1 1 431 . 13 1 1 A 40 40 ASN N N 40 115.400 116.905 -1.505 1 1 433 . 13 1 1 A 41 41 THR H H 41 7.520 7.661 -0.141 1 1 434 . 13 1 1 A 41 41 THR HA H 41 4.010 4.116 -0.106 1 1 439 . 13 1 1 A 41 41 THR CA C 41 66.000 64.995 1.005 1 1 440 . 13 1 1 A 41 41 THR CB C 41 69.100 68.571 0.529 1 1 442 . 13 1 1 A 41 41 THR N N 41 109.700 113.851 -4.151 1 1 443 . 13 1 1 A 42 42 TRP H H 42 7.190 6.908 0.282 1 1 444 . 13 1 1 A 42 42 TRP HA H 42 5.420 4.569 0.851 1 1 453 . 13 1 1 A 42 42 TRP CA C 42 56.300 59.569 -3.269 1 1 454 . 13 1 1 A 42 42 TRP CB C 42 28.400 29.450 -1.050 1 1 460 . 13 1 1 A 42 42 TRP N N 42 124.000 121.184 2.816 1 1 462 . 13 1 1 A 43 43 CYS H H 43 7.610 8.232 -0.622 1 1 463 . 13 1 1 A 43 43 CYS HA H 43 4.090 4.209 -0.119 1 1 466 . 13 1 1 A 43 43 CYS CA C 43 62.600 62.454 0.146 1 1 467 . 13 1 1 A 43 43 CYS CB C 43 27.600 27.356 0.244 1 1 468 . 13 1 1 A 43 43 CYS N N 43 117.200 119.556 -2.356 1 1 469 . 13 1 1 A 44 44 LYS H H 44 7.870 7.745 0.125 1 1 470 . 13 1 1 A 44 44 LYS HA H 44 4.410 4.331 0.079 1 1 479 . 13 1 1 A 44 44 LYS CA C 44 55.500 55.898 -0.398 1 1 480 . 13 1 1 A 44 44 LYS CB C 44 33.100 32.970 0.130 1 1 484 . 13 1 1 A 44 44 LYS N N 44 115.700 118.109 -2.409 1 1 485 . 13 1 1 A 45 45 GLY H H 45 7.800 7.973 -0.173 1 1 486 . 13 1 1 A 45 45 GLY HA2 H 45 3.980 3.951 0.029 1 1 487 . 13 1 1 A 45 45 GLY HA3 H 45 4.200 4.005 0.195 1 1 488 . 13 1 1 A 45 45 GLY CA C 45 46.100 46.456 -0.356 1 1 489 . 13 1 1 A 45 45 GLY N N 45 107.200 107.604 -0.404 1 1 490 . 13 1 1 A 46 46 ILE H H 46 7.890 8.296 -0.406 1 1 491 . 13 1 1 A 46 46 ILE HA H 46 4.110 3.981 0.129 1 1 501 . 13 1 1 A 46 46 ILE CA C 46 61.600 63.442 -1.842 1 1 502 . 13 1 1 A 46 46 ILE CB C 46 39.100 38.002 1.098 1 1 506 . 13 1 1 A 46 46 ILE N N 46 115.700 118.497 -2.797 1 1 507 . 13 1 1 A 47 47 ALA H H 47 7.540 7.425 0.115 1 1 508 . 13 1 1 A 47 47 ALA HA H 47 4.590 4.767 -0.177 1 1 512 . 13 1 1 A 47 47 ALA CA C 47 50.700 51.169 -0.469 1 1 513 . 13 1 1 A 47 47 ALA CB C 47 22.600 23.092 -0.492 1 1 514 . 13 1 1 A 47 47 ALA N N 47 121.600 119.340 2.260 1 1 515 . 13 1 1 A 48 48 ILE H H 48 8.260 8.706 -0.446 1 1 516 . 13 1 1 A 48 48 ILE HA H 48 4.080 4.296 -0.216 1 1 526 . 13 1 1 A 48 48 ILE CA C 48 56.600 57.022 -0.422 1 1 527 . 13 1 1 A 48 48 ILE CB C 48 40.800 39.194 1.606 1 1 531 . 13 1 1 A 48 48 ILE N N 48 118.900 120.102 -1.202 1 1 532 . 13 1 1 A 49 49 PRO HA H 49 4.230 4.422 -0.192 1 1 539 . 13 1 1 A 49 49 PRO CA C 49 61.300 62.254 -0.954 1 1 540 . 13 1 1 A 49 49 PRO CB C 49 31.900 31.138 0.762 1 1 543 . 13 1 1 A 50 50 ARG H H 50 8.130 8.734 -0.604 1 1 544 . 13 1 1 A 50 50 ARG HA H 50 4.170 4.539 -0.369 1 1 551 . 13 1 1 A 50 50 ARG CA C 50 55.600 54.958 0.642 1 1 552 . 13 1 1 A 50 50 ARG CB C 50 30.500 31.548 -1.048 1 1 555 . 13 1 1 A 50 50 ARG N N 50 115.900 121.826 -5.926 1 1 556 . 13 1 1 A 51 51 MET H H 51 8.680 8.675 0.005 1 1 557 . 13 1 1 A 51 51 MET HA H 51 4.120 4.130 -0.010 1 1 565 . 13 1 1 A 51 51 MET CA C 51 57.700 58.287 -0.587 1 1 566 . 13 1 1 A 51 51 MET CB C 51 31.200 31.283 -0.083 1 1 569 . 13 1 1 A 51 51 MET N N 51 120.000 120.833 -0.833 1 1 570 . 13 1 1 A 52 52 GLY HA2 H 52 4.000 3.863 0.137 1 1 571 . 13 1 1 A 52 52 GLY HA3 H 52 3.920 3.866 0.054 1 1 572 . 13 1 1 A 52 52 GLY CA C 52 46.800 47.344 -0.544 1 1 573 . 13 1 1 A 53 53 LYS H H 53 7.520 7.732 -0.212 1 1 574 . 13 1 1 A 53 53 LYS HA H 53 4.450 4.173 0.277 1 1 583 . 13 1 1 A 53 53 LYS CA C 53 56.200 59.102 -2.902 1 1 584 . 13 1 1 A 53 53 LYS CB C 53 32.200 32.240 -0.040 1 1 588 . 13 1 1 A 53 53 LYS N N 53 119.900 122.204 -2.304 1 1 589 . 13 1 1 A 54 54 VAL H H 54 7.650 8.067 -0.417 1 1 590 . 13 1 1 A 54 54 VAL HA H 54 3.420 3.534 -0.114 1 1 598 . 13 1 1 A 54 54 VAL CA C 54 67.600 66.951 0.649 1 1 599 . 13 1 1 A 54 54 VAL CB C 54 30.600 31.244 -0.644 1 1 602 . 13 1 1 A 54 54 VAL N N 54 121.300 120.459 0.841 1 1 603 . 13 1 1 A 55 55 GLN H H 55 8.460 8.489 -0.029 1 1 604 . 13 1 1 A 55 55 GLN HA H 55 3.790 3.957 -0.167 1 1 611 . 13 1 1 A 55 55 GLN CA C 55 58.000 58.827 -0.827 1 1 612 . 13 1 1 A 55 55 GLN CB C 55 28.200 28.545 -0.345 1 1 614 . 13 1 1 A 55 55 GLN N N 55 118.100 119.965 -1.865 1 1 616 . 13 1 1 A 56 56 ALA H H 56 7.550 7.882 -0.332 1 1 617 . 13 1 1 A 56 56 ALA HA H 56 4.310 4.121 0.189 1 1 621 . 13 1 1 A 56 56 ALA CA C 56 55.100 54.999 0.101 1 1 622 . 13 1 1 A 56 56 ALA CB C 56 18.100 18.175 -0.075 1 1 623 . 13 1 1 A 56 56 ALA N N 56 120.300 122.114 -1.814 1 1 624 . 13 1 1 A 57 57 LEU H H 57 8.170 7.997 0.173 1 1 625 . 13 1 1 A 57 57 LEU HA H 57 3.950 4.083 -0.133 1 1 635 . 13 1 1 A 57 57 LEU CA C 57 57.500 58.280 -0.780 1 1 636 . 13 1 1 A 57 57 LEU CB C 57 43.500 41.574 1.926 1 1 640 . 13 1 1 A 57 57 LEU N N 57 120.100 119.280 0.820 1 1 641 . 13 1 1 A 58 58 ALA H H 58 8.430 8.888 -0.458 1 1 642 . 13 1 1 A 58 58 ALA HA H 58 3.820 4.154 -0.334 1 1 646 . 13 1 1 A 58 58 ALA CA C 58 54.600 55.007 -0.407 1 1 647 . 13 1 1 A 58 58 ALA CB C 58 16.400 17.983 -1.583 1 1 648 . 13 1 1 A 58 58 ALA N N 58 122.600 121.437 1.163 1 1 649 . 13 1 1 A 59 59 ASP H H 59 8.790 7.991 0.799 1 1 650 . 13 1 1 A 59 59 ASP HA H 59 4.440 4.394 0.046 1 1 653 . 13 1 1 A 59 59 ASP CA C 59 57.000 57.407 -0.407 1 1 654 . 13 1 1 A 59 59 ASP CB C 59 39.800 40.997 -1.197 1 1 655 . 13 1 1 A 59 59 ASP N N 59 117.900 119.539 -1.639 1 1 656 . 13 1 1 A 60 60 TYR H H 60 8.050 8.134 -0.084 1 1 657 . 13 1 1 A 60 60 TYR HA H 60 3.820 4.201 -0.381 1 1 664 . 13 1 1 A 60 60 TYR CA C 60 62.000 61.449 0.551 1 1 665 . 13 1 1 A 60 60 TYR CB C 60 38.200 38.462 -0.262 1 1 668 . 13 1 1 A 60 60 TYR N N 60 122.300 120.852 1.448 1 1 669 . 13 1 1 A 61 61 PHE H H 61 7.860 7.780 0.080 1 1 670 . 13 1 1 A 61 61 PHE HA H 61 4.530 4.545 -0.015 1 1 678 . 13 1 1 A 61 61 PHE CA C 61 58.000 57.760 0.240 1 1 679 . 13 1 1 A 61 61 PHE CB C 61 39.800 39.205 0.595 1 1 683 . 13 1 1 A 61 61 PHE N N 61 114.100 115.085 -0.985 1 1 684 . 13 1 1 A 62 62 ASN H H 62 8.040 8.064 -0.024 1 1 685 . 13 1 1 A 62 62 ASN HA H 62 4.420 4.267 0.153 1 1 690 . 13 1 1 A 62 62 ASN CA C 62 54.200 54.336 -0.136 1 1 691 . 13 1 1 A 62 62 ASN CB C 62 36.800 36.697 0.103 1 1 692 . 13 1 1 A 62 62 ASN N N 62 118.100 114.491 3.609 1 1 694 . 13 1 1 A 63 63 ILE H H 63 8.360 7.940 0.420 1 1 695 . 13 1 1 A 63 63 ILE HA H 63 4.710 4.881 -0.171 1 1 705 . 13 1 1 A 63 63 ILE CA C 63 59.600 58.378 1.222 1 1 706 . 13 1 1 A 63 63 ILE CB C 63 39.700 42.026 -2.326 1 1 710 . 13 1 1 A 63 63 ILE N N 63 112.700 112.913 -0.213 1 1 711 . 13 1 1 A 64 64 ASN H H 64 8.860 9.104 -0.244 1 1 712 . 13 1 1 A 64 64 ASN HA H 64 4.990 5.019 -0.029 1 1 717 . 13 1 1 A 64 64 ASN CA C 64 52.100 52.202 -0.102 1 1 718 . 13 1 1 A 64 64 ASN CB C 64 40.600 39.710 0.890 1 1 719 . 13 1 1 A 64 64 ASN N N 64 117.400 119.827 -2.427 1 1 721 . 13 1 1 A 65 65 LYS H H 65 9.250 8.997 0.253 1 1 722 . 13 1 1 A 65 65 LYS HA H 65 3.720 4.018 -0.298 1 1 731 . 13 1 1 A 65 65 LYS CA C 65 60.900 58.997 1.903 1 1 732 . 13 1 1 A 65 65 LYS CB C 65 31.200 32.210 -1.010 1 1 736 . 13 1 1 A 65 65 LYS N N 65 123.200 123.843 -0.643 1 1 737 . 13 1 1 A 66 66 SER H H 66 8.700 8.364 0.336 1 1 738 . 13 1 1 A 66 66 SER HA H 66 4.050 4.245 -0.195 1 1 741 . 13 1 1 A 66 66 SER CA C 66 61.200 61.139 0.061 1 1 742 . 13 1 1 A 66 66 SER CB C 66 62.200 62.449 -0.249 1 1 743 . 13 1 1 A 66 66 SER N N 66 114.300 115.214 -0.914 1 1 744 . 13 1 1 A 67 67 ASP H H 67 7.510 8.056 -0.546 1 1 745 . 13 1 1 A 67 67 ASP HA H 67 4.500 4.454 0.046 1 1 748 . 13 1 1 A 67 67 ASP CA C 67 56.700 57.006 -0.306 1 1 749 . 13 1 1 A 67 67 ASP CB C 67 41.000 40.325 0.675 1 1 750 . 13 1 1 A 67 67 ASP N N 67 119.800 121.699 -1.899 1 1 751 . 13 1 1 A 68 68 LEU H H 68 7.440 7.765 -0.325 1 1 752 . 13 1 1 A 68 68 LEU HA H 68 4.500 4.271 0.229 1 1 762 . 13 1 1 A 68 68 LEU CA C 68 55.700 56.024 -0.324 1 1 763 . 13 1 1 A 68 68 LEU CB C 68 43.500 42.499 1.001 1 1 767 . 13 1 1 A 68 68 LEU N N 68 113.800 117.727 -3.927 1 1 768 . 13 1 1 A 69 69 ILE H H 69 7.500 7.669 -0.169 1 1 769 . 13 1 1 A 69 69 ILE HA H 69 4.390 4.329 0.061 1 1 779 . 13 1 1 A 69 69 ILE CA C 69 61.700 63.226 -1.526 1 1 780 . 13 1 1 A 69 69 ILE CB C 69 39.600 39.386 0.214 1 1 784 . 13 1 1 A 69 69 ILE N N 69 112.800 117.182 -4.382 1 1 785 . 13 1 1 A 70 70 GLU H H 70 7.680 7.715 -0.035 1 1 786 . 13 1 1 A 70 70 GLU HA H 70 4.500 4.434 0.066 1 1 791 . 13 1 1 A 70 70 GLU CA C 70 55.200 56.292 -1.092 1 1 792 . 13 1 1 A 70 70 GLU CB C 70 30.800 30.374 0.426 1 1 794 . 13 1 1 A 70 70 GLU N N 70 118.300 120.678 -2.378 1 1 795 . 13 1 1 A 71 71 ASP H H 71 8.660 8.860 -0.200 1 1 796 . 13 1 1 A 71 71 ASP HA H 71 4.640 5.014 -0.374 1 1 799 . 13 1 1 A 71 71 ASP CA C 71 53.400 52.859 0.541 1 1 800 . 13 1 1 A 71 71 ASP CB C 71 40.800 42.628 -1.828 1 1 801 . 13 1 1 A 71 71 ASP N N 71 121.100 123.806 -2.706 1 1 802 . 13 1 1 A 72 72 LYS H H 72 8.980 9.023 -0.043 1 1 803 . 13 1 1 A 72 72 LYS HA H 72 4.270 4.199 0.071 1 1 812 . 13 1 1 A 72 72 LYS CA C 72 56.400 57.636 -1.236 1 1 813 . 13 1 1 A 72 72 LYS CB C 72 32.400 32.268 0.132 1 1 817 . 13 1 1 A 72 72 LYS N N 72 126.200 125.949 0.251 1 1 818 . 13 1 1 A 73 73 LYS H H 73 8.460 7.974 0.486 1 1 819 . 13 1 1 A 73 73 LYS HA H 73 4.180 4.280 -0.100 1 1 828 . 13 1 1 A 73 73 LYS CA C 73 56.500 56.685 -0.185 1 1 829 . 13 1 1 A 73 73 LYS CB C 73 31.600 32.991 -1.391 1 1 833 . 13 1 1 A 73 73 LYS N N 73 120.300 119.428 0.872 1 1 834 . 13 1 1 A 74 74 LEU H H 74 7.910 7.667 0.243 1 1 835 . 13 1 1 A 74 74 LEU HA H 74 4.260 4.431 -0.171 1 1 845 . 13 1 1 A 74 74 LEU CA C 74 55.000 54.035 0.965 1 1 846 . 13 1 1 A 74 74 LEU CB C 74 42.200 40.535 1.665 1 1 850 . 13 1 1 A 74 74 LEU N N 74 120.900 119.906 0.994 1 1 851 . 13 1 1 A 75 75 ASN H H 75 8.320 7.872 0.448 1 1 852 . 13 1 1 A 75 75 ASN HA H 75 4.710 4.408 0.302 1 1 857 . 13 1 1 A 75 75 ASN CA C 75 53.000 53.856 -0.856 1 1 858 . 13 1 1 A 75 75 ASN CB C 75 38.700 37.101 1.599 1 1 859 . 13 1 1 A 75 75 ASN N N 75 119.300 117.005 2.295 1 1 861 . 13 1 1 A 76 76 ILE H H 76 8.010 8.362 -0.352 1 1 862 . 13 1 1 A 76 76 ILE HA H 76 4.180 3.998 0.182 1 1 872 . 13 1 1 A 76 76 ILE CA C 76 61.000 62.409 -1.409 1 1 873 . 13 1 1 A 76 76 ILE CB C 76 38.700 37.635 1.065 1 1 877 . 13 1 1 A 76 76 ILE N N 76 120.200 125.954 -5.754 1 1 878 . 13 1 1 A 77 77 ASP H H 77 8.390 8.731 -0.341 1 1 879 . 13 1 1 A 77 77 ASP HA H 77 4.660 4.841 -0.181 1 1 882 . 13 1 1 A 77 77 ASP CA C 77 54.200 53.355 0.845 1 1 883 . 13 1 1 A 77 77 ASP CB C 77 41.100 39.920 1.180 1 1 884 . 13 1 1 A 77 77 ASP N N 77 123.500 128.692 -5.192 1 1 885 . 13 1 1 A 78 78 THR H H 78 8.010 8.351 -0.341 1 1 886 . 13 1 1 A 78 78 THR HA H 78 4.310 4.230 0.080 1 1 891 . 13 1 1 A 78 78 THR CA C 78 61.600 63.129 -1.529 1 1 892 . 13 1 1 A 78 78 THR CB C 78 69.700 69.176 0.524 1 1 894 . 13 1 1 A 78 78 THR N N 78 114.200 119.939 -5.739 1 1 895 . 13 1 1 A 79 79 VAL H H 79 8.090 8.389 -0.299 1 1 896 . 13 1 1 A 79 79 VAL HA H 79 4.390 4.668 -0.278 1 1 904 . 13 1 1 A 79 79 VAL CA C 79 59.900 59.206 0.694 1 1 905 . 13 1 1 A 79 79 VAL CB C 79 32.400 33.059 -0.659 1 1 908 . 13 1 1 A 79 79 VAL N N 79 124.000 128.598 -4.598 1 1 909 . 13 1 1 A 80 80 PRO HA H 80 4.420 4.686 -0.266 1 1 916 . 13 1 1 A 80 80 PRO CA C 80 62.900 62.153 0.747 1 1 917 . 13 1 1 A 80 80 PRO CB C 80 31.900 32.880 -0.980 1 1 920 . 13 1 1 A 81 81 ILE H H 81 8.210 8.327 -0.117 1 1 921 . 13 1 1 A 81 81 ILE HA H 81 4.110 4.152 -0.042 1 1 931 . 13 1 1 A 81 81 ILE CA C 81 61.200 61.730 -0.530 1 1 932 . 13 1 1 A 81 81 ILE CB C 81 38.600 39.286 -0.686 1 1 936 . 13 1 1 A 81 81 ILE N N 81 121.300 121.756 -0.456 1 1 937 . 13 1 1 A 82 82 GLU H H 82 8.510 8.473 0.037 1 1 938 . 13 1 1 A 82 82 GLU HA H 82 4.300 4.303 -0.003 1 1 943 . 13 1 1 A 82 82 GLU CA C 82 56.300 56.561 -0.261 1 1 944 . 13 1 1 A 82 82 GLU CB C 82 30.000 29.632 0.368 1 1 946 . 13 1 1 A 82 82 GLU N N 82 124.600 127.160 -2.560 1 1 947 . 13 1 1 A 83 83 SER H H 83 8.330 8.587 -0.257 1 1 948 . 13 1 1 A 83 83 SER HA H 83 4.400 4.547 -0.147 1 1 951 . 13 1 1 A 83 83 SER CA C 83 58.500 57.525 0.975 1 1 952 . 13 1 1 A 83 83 SER CB C 83 63.600 64.983 -1.383 1 1 953 . 13 1 1 A 83 83 SER N N 83 116.900 122.164 -5.264 1 1 954 . 13 1 1 A 84 84 GLY H H 84 8.400 8.695 -0.295 1 1 955 . 13 1 1 A 84 84 GLY HA2 H 84 3.900 4.016 -0.116 1 1 956 . 13 1 1 A 84 84 GLY HA3 H 84 3.900 4.026 -0.126 1 1 957 . 13 1 1 A 84 84 GLY CA C 84 45.300 46.051 -0.751 1 1 958 . 13 1 1 A 84 84 GLY N N 84 110.400 111.385 -0.985 1 1 959 . 13 1 1 A 85 85 TYR H H 85 8.000 8.843 -0.843 1 1 960 . 13 1 1 A 85 85 TYR HA H 85 4.600 5.046 -0.446 1 1 967 . 13 1 1 A 85 85 TYR CA C 85 57.900 57.416 0.484 1 1 968 . 13 1 1 A 85 85 TYR CB C 85 38.700 41.898 -3.198 1 1 971 . 13 1 1 A 85 85 TYR N N 85 120.000 124.372 -4.372 1 1 972 . 13 1 1 A 86 86 THR H H 86 8.070 8.510 -0.440 1 1 973 . 13 1 1 A 86 86 THR HA H 86 4.280 4.318 -0.038 1 1 978 . 13 1 1 A 86 86 THR CA C 86 61.600 62.604 -1.004 1 1 979 . 13 1 1 A 86 86 THR CB C 86 69.700 68.124 1.576 1 1 1 . 14 1 1 A 4 4 ASP H H 4 8.270 8.693 -0.423 1 1 2 . 14 1 1 A 4 4 ASP HA H 4 4.550 4.721 -0.171 1 1 5 . 14 1 1 A 4 4 ASP CA C 4 54.700 54.259 0.441 1 1 6 . 14 1 1 A 4 4 ASP CB C 4 41.400 41.667 -0.267 1 1 7 . 14 1 1 A 4 4 ASP N N 4 121.200 127.212 -6.012 1 1 8 . 14 1 1 A 5 5 LYS HA H 5 4.160 3.931 0.229 1 1 13 . 14 1 1 A 5 5 LYS CA C 5 58.300 59.769 -1.469 1 1 14 . 14 1 1 A 5 5 LYS CB C 5 32.400 32.785 -0.385 1 1 16 . 14 1 1 A 6 6 GLN H H 6 8.170 7.948 0.222 1 1 17 . 14 1 1 A 6 6 GLN HA H 6 4.090 3.983 0.107 1 1 24 . 14 1 1 A 6 6 GLN CA C 6 59.000 59.484 -0.484 1 1 25 . 14 1 1 A 6 6 GLN CB C 6 28.500 28.202 0.298 1 1 27 . 14 1 1 A 6 6 GLN N N 6 117.400 119.883 -2.483 1 1 29 . 14 1 1 A 7 7 LYS H H 7 7.970 8.425 -0.455 1 1 30 . 14 1 1 A 7 7 LYS HA H 7 4.030 4.148 -0.118 1 1 39 . 14 1 1 A 7 7 LYS CA C 7 59.500 58.532 0.968 1 1 40 . 14 1 1 A 7 7 LYS CB C 7 32.500 32.109 0.391 1 1 44 . 14 1 1 A 7 7 LYS N N 7 119.400 119.235 0.165 1 1 45 . 14 1 1 A 8 8 ALA H H 8 7.980 7.689 0.291 1 1 46 . 14 1 1 A 8 8 ALA HA H 8 4.110 4.197 -0.087 1 1 50 . 14 1 1 A 8 8 ALA CA C 8 55.000 54.856 0.144 1 1 51 . 14 1 1 A 8 8 ALA CB C 8 18.100 18.578 -0.478 1 1 52 . 14 1 1 A 8 8 ALA N N 8 123.300 120.978 2.322 1 1 53 . 14 1 1 A 9 9 ILE H H 9 8.070 8.427 -0.357 1 1 54 . 14 1 1 A 9 9 ILE HA H 9 3.760 3.806 -0.046 1 1 64 . 14 1 1 A 9 9 ILE CA C 9 63.800 65.089 -1.289 1 1 65 . 14 1 1 A 9 9 ILE CB C 9 38.900 37.829 1.071 1 1 69 . 14 1 1 A 9 9 ILE N N 9 119.200 119.783 -0.583 1 1 70 . 14 1 1 A 10 10 PHE H H 10 8.020 8.278 -0.258 1 1 71 . 14 1 1 A 10 10 PHE HA H 10 4.720 4.002 0.718 1 1 79 . 14 1 1 A 10 10 PHE CA C 10 60.400 62.092 -1.692 1 1 80 . 14 1 1 A 10 10 PHE CB C 10 39.400 39.093 0.307 1 1 84 . 14 1 1 A 10 10 PHE N N 10 118.900 121.436 -2.536 1 1 85 . 14 1 1 A 11 11 SER H H 11 8.420 8.291 0.129 1 1 86 . 14 1 1 A 11 11 SER HA H 11 3.890 4.112 -0.222 1 1 89 . 14 1 1 A 11 11 SER CA C 11 62.000 61.688 0.312 1 1 90 . 14 1 1 A 11 11 SER CB C 11 62.800 62.760 0.040 1 1 91 . 14 1 1 A 11 11 SER N N 11 112.700 113.944 -1.244 1 1 92 . 14 1 1 A 12 12 GLU H H 12 8.050 8.386 -0.336 1 1 93 . 14 1 1 A 12 12 GLU HA H 12 4.130 3.945 0.185 1 1 98 . 14 1 1 A 12 12 GLU CA C 12 59.400 59.602 -0.202 1 1 99 . 14 1 1 A 12 12 GLU CB C 12 29.100 28.914 0.186 1 1 101 . 14 1 1 A 12 12 GLU N N 12 123.000 121.828 1.172 1 1 102 . 14 1 1 A 13 13 ASN H H 13 8.390 8.493 -0.103 1 1 103 . 14 1 1 A 13 13 ASN HA H 13 4.470 4.387 0.083 1 1 108 . 14 1 1 A 13 13 ASN CA C 13 55.700 56.718 -1.018 1 1 109 . 14 1 1 A 13 13 ASN CB C 13 37.900 39.117 -1.217 1 1 110 . 14 1 1 A 13 13 ASN N N 13 119.100 118.656 0.444 1 1 112 . 14 1 1 A 14 14 LEU H H 14 9.170 7.980 1.190 1 1 113 . 14 1 1 A 14 14 LEU HA H 14 3.860 3.885 -0.025 1 1 123 . 14 1 1 A 14 14 LEU CA C 14 58.800 58.066 0.734 1 1 124 . 14 1 1 A 14 14 LEU CB C 14 41.100 40.984 0.116 1 1 128 . 14 1 1 A 14 14 LEU N N 14 122.200 120.399 1.801 1 1 129 . 14 1 1 A 15 15 ASN H H 15 8.700 8.669 0.031 1 1 130 . 14 1 1 A 15 15 ASN HA H 15 4.520 4.430 0.090 1 1 135 . 14 1 1 A 15 15 ASN CA C 15 56.600 56.211 0.389 1 1 136 . 14 1 1 A 15 15 ASN CB C 15 37.900 37.764 0.136 1 1 137 . 14 1 1 A 15 15 ASN N N 15 115.400 117.164 -1.764 1 1 139 . 14 1 1 A 16 16 SER H H 16 7.860 7.702 0.158 1 1 140 . 14 1 1 A 16 16 SER HA H 16 4.250 4.100 0.150 1 1 143 . 14 1 1 A 16 16 SER CA C 16 61.400 62.267 -0.867 1 1 144 . 14 1 1 A 16 16 SER CB C 16 62.100 63.383 -1.283 1 1 145 . 14 1 1 A 16 16 SER N N 16 117.600 117.006 0.594 1 1 146 . 14 1 1 A 17 17 TYR H H 17 7.740 7.460 0.280 1 1 147 . 14 1 1 A 17 17 TYR HA H 17 3.900 4.364 -0.464 1 1 154 . 14 1 1 A 17 17 TYR CA C 17 63.500 61.307 2.193 1 1 155 . 14 1 1 A 17 17 TYR CB C 17 35.600 38.131 -2.531 1 1 158 . 14 1 1 A 17 17 TYR N N 17 120.700 119.752 0.948 1 1 159 . 14 1 1 A 18 18 ILE H H 18 8.660 8.176 0.484 1 1 160 . 14 1 1 A 18 18 ILE HA H 18 3.710 3.929 -0.219 1 1 170 . 14 1 1 A 18 18 ILE CA C 18 66.400 65.573 0.827 1 1 171 . 14 1 1 A 18 18 ILE CB C 18 38.300 38.394 -0.094 1 1 175 . 14 1 1 A 18 18 ILE N N 18 121.800 120.600 1.200 1 1 176 . 14 1 1 A 19 19 ALA H H 19 8.010 8.098 -0.088 1 1 177 . 14 1 1 A 19 19 ALA HA H 19 4.220 4.190 0.030 1 1 181 . 14 1 1 A 19 19 ALA CA C 19 55.000 54.327 0.673 1 1 182 . 14 1 1 A 19 19 ALA CB C 19 17.800 18.352 -0.552 1 1 183 . 14 1 1 A 19 19 ALA N N 19 121.900 122.694 -0.794 1 1 184 . 14 1 1 A 20 20 LYS H H 20 7.650 7.667 -0.017 1 1 185 . 14 1 1 A 20 20 LYS HA H 20 4.200 4.551 -0.351 1 1 194 . 14 1 1 A 20 20 LYS CA C 20 57.900 56.853 1.047 1 1 195 . 14 1 1 A 20 20 LYS CB C 20 33.000 33.016 -0.016 1 1 199 . 14 1 1 A 20 20 LYS N N 20 116.500 116.954 -0.454 1 1 200 . 14 1 1 A 21 21 SER H H 21 8.000 7.616 0.384 1 1 201 . 14 1 1 A 21 21 SER HA H 21 4.460 4.554 -0.094 1 1 204 . 14 1 1 A 21 21 SER CA C 21 60.100 57.401 2.699 1 1 205 . 14 1 1 A 21 21 SER CB C 21 64.700 64.790 -0.090 1 1 206 . 14 1 1 A 21 21 SER N N 21 114.400 116.505 -2.105 1 1 207 . 14 1 1 A 22 22 GLU H H 22 7.970 8.833 -0.863 1 1 208 . 14 1 1 A 22 22 GLU HA H 22 4.140 4.426 -0.286 1 1 213 . 14 1 1 A 22 22 GLU CA C 22 57.900 56.881 1.019 1 1 214 . 14 1 1 A 22 22 GLU CB C 22 27.700 29.596 -1.896 1 1 216 . 14 1 1 A 22 22 GLU N N 22 116.000 122.503 -6.503 1 1 217 . 14 1 1 A 23 23 LYS H H 23 8.070 7.254 0.816 1 1 218 . 14 1 1 A 23 23 LYS HA H 23 4.730 4.460 0.270 1 1 227 . 14 1 1 A 23 23 LYS CA C 23 53.800 56.027 -2.227 1 1 228 . 14 1 1 A 23 23 LYS CB C 23 34.300 33.352 0.948 1 1 232 . 14 1 1 A 23 23 LYS N N 23 119.500 120.604 -1.104 1 1 233 . 14 1 1 A 24 24 THR H H 24 8.690 8.650 0.040 1 1 234 . 14 1 1 A 24 24 THR HA H 24 4.460 4.855 -0.395 1 1 239 . 14 1 1 A 24 24 THR CA C 24 60.200 60.301 -0.101 1 1 240 . 14 1 1 A 24 24 THR CB C 24 71.200 71.747 -0.547 1 1 242 . 14 1 1 A 24 24 THR N N 24 109.900 112.941 -3.041 1 1 243 . 14 1 1 A 25 25 GLN H H 25 8.840 8.999 -0.159 1 1 244 . 14 1 1 A 25 25 GLN HA H 25 3.640 4.201 -0.561 1 1 251 . 14 1 1 A 25 25 GLN CA C 25 59.900 59.245 0.655 1 1 252 . 14 1 1 A 25 25 GLN CB C 25 28.300 28.619 -0.319 1 1 254 . 14 1 1 A 25 25 GLN N N 25 118.500 121.118 -2.618 1 1 256 . 14 1 1 A 26 26 LEU H H 26 7.690 8.319 -0.629 1 1 257 . 14 1 1 A 26 26 LEU HA H 26 3.790 3.969 -0.179 1 1 267 . 14 1 1 A 26 26 LEU CA C 26 57.900 57.805 0.095 1 1 268 . 14 1 1 A 26 26 LEU CB C 26 41.800 41.491 0.309 1 1 272 . 14 1 1 A 26 26 LEU N N 26 116.000 120.852 -4.852 1 1 273 . 14 1 1 A 27 27 GLU H H 27 7.540 7.843 -0.303 1 1 274 . 14 1 1 A 27 27 GLU HA H 27 3.880 3.974 -0.094 1 1 279 . 14 1 1 A 27 27 GLU CA C 27 58.800 59.260 -0.460 1 1 280 . 14 1 1 A 27 27 GLU CB C 27 29.500 29.379 0.121 1 1 282 . 14 1 1 A 27 27 GLU N N 27 118.200 120.074 -1.874 1 1 283 . 14 1 1 A 28 28 ILE H H 28 7.710 7.801 -0.091 1 1 284 . 14 1 1 A 28 28 ILE HA H 28 2.970 2.999 -0.029 1 1 294 . 14 1 1 A 28 28 ILE CA C 28 65.100 64.969 0.131 1 1 295 . 14 1 1 A 28 28 ILE CB C 28 37.400 37.474 -0.074 1 1 299 . 14 1 1 A 28 28 ILE N N 28 121.400 119.434 1.966 1 1 300 . 14 1 1 A 29 29 ALA H H 29 7.690 8.051 -0.361 1 1 301 . 14 1 1 A 29 29 ALA HA H 29 3.230 3.669 -0.439 1 1 305 . 14 1 1 A 29 29 ALA CA C 29 55.300 55.367 -0.067 1 1 306 . 14 1 1 A 29 29 ALA CB C 29 16.300 18.121 -1.821 1 1 307 . 14 1 1 A 29 29 ALA N N 29 120.500 121.441 -0.941 1 1 308 . 14 1 1 A 30 30 LYS H H 30 7.580 7.680 -0.100 1 1 309 . 14 1 1 A 30 30 LYS HA H 30 4.050 3.886 0.164 1 1 318 . 14 1 1 A 30 30 LYS CA C 30 58.800 59.245 -0.445 1 1 319 . 14 1 1 A 30 30 LYS CB C 30 32.000 32.217 -0.217 1 1 323 . 14 1 1 A 30 30 LYS N N 30 114.800 118.805 -4.005 1 1 324 . 14 1 1 A 31 31 SER H H 31 7.680 7.617 0.063 1 1 325 . 14 1 1 A 31 31 SER HA H 31 4.220 4.301 -0.081 1 1 328 . 14 1 1 A 31 31 SER CA C 31 62.300 61.533 0.767 1 1 329 . 14 1 1 A 31 31 SER CB C 31 63.300 63.034 0.266 1 1 330 . 14 1 1 A 31 31 SER N N 31 115.800 116.584 -0.784 1 1 331 . 14 1 1 A 32 32 ILE H H 32 7.800 7.262 0.538 1 1 332 . 14 1 1 A 32 32 ILE HA H 32 4.400 4.097 0.303 1 1 342 . 14 1 1 A 32 32 ILE CA C 32 60.300 62.876 -2.576 1 1 343 . 14 1 1 A 32 32 ILE CB C 32 37.500 38.461 -0.961 1 1 347 . 14 1 1 A 32 32 ILE N N 32 113.800 116.996 -3.196 1 1 348 . 14 1 1 A 33 33 GLY H H 33 7.880 8.389 -0.509 1 1 349 . 14 1 1 A 33 33 GLY HA2 H 33 3.890 4.036 -0.146 1 1 350 . 14 1 1 A 33 33 GLY HA3 H 33 4.040 4.060 -0.020 1 1 351 . 14 1 1 A 33 33 GLY CA C 33 46.800 45.066 1.734 1 1 352 . 14 1 1 A 33 33 GLY N N 33 110.500 108.617 1.883 1 1 353 . 14 1 1 A 34 34 VAL H H 34 7.910 7.693 0.217 1 1 354 . 14 1 1 A 34 34 VAL HA H 34 4.720 4.793 -0.073 1 1 362 . 14 1 1 A 34 34 VAL CA C 34 58.700 59.041 -0.341 1 1 363 . 14 1 1 A 34 34 VAL CB C 34 35.500 35.582 -0.082 1 1 366 . 14 1 1 A 34 34 VAL N N 34 113.500 115.731 -2.231 1 1 367 . 14 1 1 A 35 35 SER H H 35 8.650 8.246 0.404 1 1 368 . 14 1 1 A 35 35 SER HA H 35 4.580 4.679 -0.099 1 1 371 . 14 1 1 A 35 35 SER CA C 35 55.900 56.883 -0.983 1 1 372 . 14 1 1 A 35 35 SER CB C 35 62.800 62.970 -0.170 1 1 373 . 14 1 1 A 35 35 SER N N 35 118.400 117.221 1.179 1 1 374 . 14 1 1 A 36 36 PRO HA H 36 3.950 4.284 -0.334 1 1 381 . 14 1 1 A 36 36 PRO CA C 36 65.100 65.492 -0.392 1 1 382 . 14 1 1 A 36 36 PRO CB C 36 31.500 31.887 -0.387 1 1 385 . 14 1 1 A 37 37 GLN H H 37 8.300 8.344 -0.044 1 1 386 . 14 1 1 A 37 37 GLN HA H 37 4.030 4.058 -0.028 1 1 393 . 14 1 1 A 37 37 GLN CA C 37 59.400 58.373 1.027 1 1 394 . 14 1 1 A 37 37 GLN CB C 37 27.400 28.024 -0.624 1 1 396 . 14 1 1 A 37 37 GLN N N 37 117.300 117.351 -0.051 1 1 398 . 14 1 1 A 38 38 THR H H 38 7.790 7.764 0.026 1 1 399 . 14 1 1 A 38 38 THR HA H 38 3.590 3.703 -0.113 1 1 404 . 14 1 1 A 38 38 THR CA C 38 66.000 66.010 -0.010 1 1 405 . 14 1 1 A 38 38 THR CB C 38 67.900 68.231 -0.331 1 1 407 . 14 1 1 A 38 38 THR N N 38 119.500 117.685 1.815 1 1 408 . 14 1 1 A 39 39 PHE H H 39 8.150 7.750 0.400 1 1 409 . 14 1 1 A 39 39 PHE HA H 39 2.690 3.809 -1.119 1 1 417 . 14 1 1 A 39 39 PHE CA C 39 60.700 61.442 -0.742 1 1 418 . 14 1 1 A 39 39 PHE CB C 39 39.500 38.976 0.524 1 1 422 . 14 1 1 A 39 39 PHE N N 39 123.200 121.646 1.554 1 1 423 . 14 1 1 A 40 40 ASN H H 40 8.270 8.410 -0.140 1 1 424 . 14 1 1 A 40 40 ASN HA H 40 4.410 4.331 0.079 1 1 429 . 14 1 1 A 40 40 ASN CA C 40 56.800 56.138 0.662 1 1 430 . 14 1 1 A 40 40 ASN CB C 40 38.700 39.033 -0.333 1 1 431 . 14 1 1 A 40 40 ASN N N 40 115.400 116.914 -1.514 1 1 433 . 14 1 1 A 41 41 THR H H 41 7.520 7.779 -0.259 1 1 434 . 14 1 1 A 41 41 THR HA H 41 4.010 3.995 0.015 1 1 439 . 14 1 1 A 41 41 THR CA C 41 66.000 65.503 0.497 1 1 440 . 14 1 1 A 41 41 THR CB C 41 69.100 68.113 0.987 1 1 442 . 14 1 1 A 41 41 THR N N 41 109.700 113.326 -3.626 1 1 443 . 14 1 1 A 42 42 TRP H H 42 7.190 6.876 0.314 1 1 444 . 14 1 1 A 42 42 TRP HA H 42 5.420 4.477 0.943 1 1 453 . 14 1 1 A 42 42 TRP CA C 42 56.300 59.838 -3.538 1 1 454 . 14 1 1 A 42 42 TRP CB C 42 28.400 29.561 -1.161 1 1 460 . 14 1 1 A 42 42 TRP N N 42 124.000 121.360 2.640 1 1 462 . 14 1 1 A 43 43 CYS H H 43 7.610 8.214 -0.604 1 1 463 . 14 1 1 A 43 43 CYS HA H 43 4.090 3.941 0.149 1 1 466 . 14 1 1 A 43 43 CYS CA C 43 62.600 62.620 -0.020 1 1 467 . 14 1 1 A 43 43 CYS CB C 43 27.600 27.100 0.500 1 1 468 . 14 1 1 A 43 43 CYS N N 43 117.200 118.175 -0.975 1 1 469 . 14 1 1 A 44 44 LYS H H 44 7.870 7.752 0.118 1 1 470 . 14 1 1 A 44 44 LYS HA H 44 4.410 4.334 0.076 1 1 479 . 14 1 1 A 44 44 LYS CA C 44 55.500 55.875 -0.375 1 1 480 . 14 1 1 A 44 44 LYS CB C 44 33.100 32.970 0.130 1 1 484 . 14 1 1 A 44 44 LYS N N 44 115.700 118.544 -2.844 1 1 485 . 14 1 1 A 45 45 GLY H H 45 7.800 7.953 -0.153 1 1 486 . 14 1 1 A 45 45 GLY HA2 H 45 3.980 3.970 0.010 1 1 487 . 14 1 1 A 45 45 GLY HA3 H 45 4.200 4.027 0.173 1 1 488 . 14 1 1 A 45 45 GLY CA C 45 46.100 46.784 -0.684 1 1 489 . 14 1 1 A 45 45 GLY N N 45 107.200 107.757 -0.557 1 1 490 . 14 1 1 A 46 46 ILE H H 46 7.890 8.225 -0.335 1 1 491 . 14 1 1 A 46 46 ILE HA H 46 4.110 3.959 0.151 1 1 501 . 14 1 1 A 46 46 ILE CA C 46 61.600 64.061 -2.461 1 1 502 . 14 1 1 A 46 46 ILE CB C 46 39.100 38.344 0.756 1 1 506 . 14 1 1 A 46 46 ILE N N 46 115.700 118.496 -2.796 1 1 507 . 14 1 1 A 47 47 ALA H H 47 7.540 7.736 -0.196 1 1 508 . 14 1 1 A 47 47 ALA HA H 47 4.590 4.805 -0.215 1 1 512 . 14 1 1 A 47 47 ALA CA C 47 50.700 50.977 -0.277 1 1 513 . 14 1 1 A 47 47 ALA CB C 47 22.600 23.091 -0.491 1 1 514 . 14 1 1 A 47 47 ALA N N 47 121.600 118.847 2.753 1 1 515 . 14 1 1 A 48 48 ILE H H 48 8.260 8.756 -0.496 1 1 516 . 14 1 1 A 48 48 ILE HA H 48 4.080 4.370 -0.290 1 1 526 . 14 1 1 A 48 48 ILE CA C 48 56.600 57.369 -0.769 1 1 527 . 14 1 1 A 48 48 ILE CB C 48 40.800 38.618 2.182 1 1 531 . 14 1 1 A 48 48 ILE N N 48 118.900 120.413 -1.513 1 1 532 . 14 1 1 A 49 49 PRO HA H 49 4.230 4.567 -0.337 1 1 539 . 14 1 1 A 49 49 PRO CA C 49 61.300 61.994 -0.694 1 1 540 . 14 1 1 A 49 49 PRO CB C 49 31.900 31.652 0.248 1 1 543 . 14 1 1 A 50 50 ARG H H 50 8.130 8.497 -0.367 1 1 544 . 14 1 1 A 50 50 ARG HA H 50 4.170 4.305 -0.135 1 1 551 . 14 1 1 A 50 50 ARG CA C 50 55.600 55.825 -0.225 1 1 552 . 14 1 1 A 50 50 ARG CB C 50 30.500 31.578 -1.078 1 1 555 . 14 1 1 A 50 50 ARG N N 50 115.900 121.765 -5.865 1 1 556 . 14 1 1 A 51 51 MET H H 51 8.680 8.783 -0.103 1 1 557 . 14 1 1 A 51 51 MET HA H 51 4.120 4.083 0.037 1 1 565 . 14 1 1 A 51 51 MET CA C 51 57.700 58.571 -0.871 1 1 566 . 14 1 1 A 51 51 MET CB C 51 31.200 32.853 -1.653 1 1 569 . 14 1 1 A 51 51 MET N N 51 120.000 125.604 -5.604 1 1 570 . 14 1 1 A 52 52 GLY HA2 H 52 4.000 3.850 0.150 1 1 571 . 14 1 1 A 52 52 GLY HA3 H 52 3.920 3.854 0.066 1 1 572 . 14 1 1 A 52 52 GLY CA C 52 46.800 47.365 -0.565 1 1 573 . 14 1 1 A 53 53 LYS H H 53 7.520 7.577 -0.057 1 1 574 . 14 1 1 A 53 53 LYS HA H 53 4.450 4.100 0.350 1 1 583 . 14 1 1 A 53 53 LYS CA C 53 56.200 59.037 -2.837 1 1 584 . 14 1 1 A 53 53 LYS CB C 53 32.200 31.879 0.321 1 1 588 . 14 1 1 A 53 53 LYS N N 53 119.900 122.395 -2.495 1 1 589 . 14 1 1 A 54 54 VAL H H 54 7.650 7.838 -0.188 1 1 590 . 14 1 1 A 54 54 VAL HA H 54 3.420 3.465 -0.045 1 1 598 . 14 1 1 A 54 54 VAL CA C 54 67.600 66.470 1.130 1 1 599 . 14 1 1 A 54 54 VAL CB C 54 30.600 31.246 -0.646 1 1 602 . 14 1 1 A 54 54 VAL N N 54 121.300 120.050 1.250 1 1 603 . 14 1 1 A 55 55 GLN H H 55 8.460 7.899 0.561 1 1 604 . 14 1 1 A 55 55 GLN HA H 55 3.790 4.046 -0.256 1 1 611 . 14 1 1 A 55 55 GLN CA C 55 58.000 58.461 -0.461 1 1 612 . 14 1 1 A 55 55 GLN CB C 55 28.200 29.114 -0.914 1 1 614 . 14 1 1 A 55 55 GLN N N 55 118.100 120.620 -2.520 1 1 616 . 14 1 1 A 56 56 ALA H H 56 7.550 7.744 -0.194 1 1 617 . 14 1 1 A 56 56 ALA HA H 56 4.310 4.149 0.161 1 1 621 . 14 1 1 A 56 56 ALA CA C 56 55.100 55.095 0.005 1 1 622 . 14 1 1 A 56 56 ALA CB C 56 18.100 18.182 -0.082 1 1 623 . 14 1 1 A 56 56 ALA N N 56 120.300 122.571 -2.271 1 1 624 . 14 1 1 A 57 57 LEU H H 57 8.170 8.225 -0.055 1 1 625 . 14 1 1 A 57 57 LEU HA H 57 3.950 4.072 -0.122 1 1 635 . 14 1 1 A 57 57 LEU CA C 57 57.500 58.227 -0.727 1 1 636 . 14 1 1 A 57 57 LEU CB C 57 43.500 41.761 1.739 1 1 640 . 14 1 1 A 57 57 LEU N N 57 120.100 119.036 1.064 1 1 641 . 14 1 1 A 58 58 ALA H H 58 8.430 8.402 0.028 1 1 642 . 14 1 1 A 58 58 ALA HA H 58 3.820 4.121 -0.301 1 1 646 . 14 1 1 A 58 58 ALA CA C 58 54.600 55.271 -0.671 1 1 647 . 14 1 1 A 58 58 ALA CB C 58 16.400 18.022 -1.622 1 1 648 . 14 1 1 A 58 58 ALA N N 58 122.600 121.512 1.088 1 1 649 . 14 1 1 A 59 59 ASP H H 59 8.790 8.379 0.411 1 1 650 . 14 1 1 A 59 59 ASP HA H 59 4.440 4.392 0.048 1 1 653 . 14 1 1 A 59 59 ASP CA C 59 57.000 57.115 -0.115 1 1 654 . 14 1 1 A 59 59 ASP CB C 59 39.800 41.584 -1.784 1 1 655 . 14 1 1 A 59 59 ASP N N 59 117.900 119.243 -1.343 1 1 656 . 14 1 1 A 60 60 TYR H H 60 8.050 8.293 -0.243 1 1 657 . 14 1 1 A 60 60 TYR HA H 60 3.820 4.148 -0.328 1 1 664 . 14 1 1 A 60 60 TYR CA C 60 62.000 61.305 0.695 1 1 665 . 14 1 1 A 60 60 TYR CB C 60 38.200 38.226 -0.026 1 1 668 . 14 1 1 A 60 60 TYR N N 60 122.300 120.774 1.526 1 1 669 . 14 1 1 A 61 61 PHE H H 61 7.860 7.470 0.390 1 1 670 . 14 1 1 A 61 61 PHE HA H 61 4.530 4.439 0.091 1 1 678 . 14 1 1 A 61 61 PHE CA C 61 58.000 57.344 0.656 1 1 679 . 14 1 1 A 61 61 PHE CB C 61 39.800 39.011 0.789 1 1 683 . 14 1 1 A 61 61 PHE N N 61 114.100 114.907 -0.807 1 1 684 . 14 1 1 A 62 62 ASN H H 62 8.040 7.990 0.050 1 1 685 . 14 1 1 A 62 62 ASN HA H 62 4.420 4.354 0.066 1 1 690 . 14 1 1 A 62 62 ASN CA C 62 54.200 54.458 -0.258 1 1 691 . 14 1 1 A 62 62 ASN CB C 62 36.800 37.098 -0.298 1 1 692 . 14 1 1 A 62 62 ASN N N 62 118.100 113.622 4.478 1 1 694 . 14 1 1 A 63 63 ILE H H 63 8.360 7.748 0.612 1 1 695 . 14 1 1 A 63 63 ILE HA H 63 4.710 4.707 0.003 1 1 705 . 14 1 1 A 63 63 ILE CA C 63 59.600 58.732 0.868 1 1 706 . 14 1 1 A 63 63 ILE CB C 63 39.700 40.591 -0.891 1 1 710 . 14 1 1 A 63 63 ILE N N 63 112.700 114.998 -2.298 1 1 711 . 14 1 1 A 64 64 ASN H H 64 8.860 8.771 0.089 1 1 712 . 14 1 1 A 64 64 ASN HA H 64 4.990 4.975 0.015 1 1 717 . 14 1 1 A 64 64 ASN CA C 64 52.100 52.514 -0.414 1 1 718 . 14 1 1 A 64 64 ASN CB C 64 40.600 39.501 1.099 1 1 719 . 14 1 1 A 64 64 ASN N N 64 117.400 120.326 -2.926 1 1 721 . 14 1 1 A 65 65 LYS H H 65 9.250 8.910 0.340 1 1 722 . 14 1 1 A 65 65 LYS HA H 65 3.720 4.085 -0.365 1 1 731 . 14 1 1 A 65 65 LYS CA C 65 60.900 59.017 1.883 1 1 732 . 14 1 1 A 65 65 LYS CB C 65 31.200 32.036 -0.836 1 1 736 . 14 1 1 A 65 65 LYS N N 65 123.200 122.213 0.987 1 1 737 . 14 1 1 A 66 66 SER H H 66 8.700 8.109 0.591 1 1 738 . 14 1 1 A 66 66 SER HA H 66 4.050 4.276 -0.226 1 1 741 . 14 1 1 A 66 66 SER CA C 66 61.200 61.722 -0.522 1 1 742 . 14 1 1 A 66 66 SER CB C 66 62.200 63.136 -0.936 1 1 743 . 14 1 1 A 66 66 SER N N 66 114.300 117.927 -3.627 1 1 744 . 14 1 1 A 67 67 ASP H H 67 7.510 7.986 -0.476 1 1 745 . 14 1 1 A 67 67 ASP HA H 67 4.500 4.438 0.062 1 1 748 . 14 1 1 A 67 67 ASP CA C 67 56.700 56.647 0.053 1 1 749 . 14 1 1 A 67 67 ASP CB C 67 41.000 41.063 -0.063 1 1 750 . 14 1 1 A 67 67 ASP N N 67 119.800 121.650 -1.850 1 1 751 . 14 1 1 A 68 68 LEU H H 68 7.440 7.493 -0.053 1 1 752 . 14 1 1 A 68 68 LEU HA H 68 4.500 4.304 0.196 1 1 762 . 14 1 1 A 68 68 LEU CA C 68 55.700 56.639 -0.939 1 1 763 . 14 1 1 A 68 68 LEU CB C 68 43.500 42.050 1.450 1 1 767 . 14 1 1 A 68 68 LEU N N 68 113.800 117.128 -3.328 1 1 768 . 14 1 1 A 69 69 ILE H H 69 7.500 7.702 -0.202 1 1 769 . 14 1 1 A 69 69 ILE HA H 69 4.390 3.882 0.508 1 1 779 . 14 1 1 A 69 69 ILE CA C 69 61.700 65.125 -3.425 1 1 780 . 14 1 1 A 69 69 ILE CB C 69 39.600 38.372 1.228 1 1 784 . 14 1 1 A 69 69 ILE N N 69 112.800 117.395 -4.595 1 1 785 . 14 1 1 A 70 70 GLU H H 70 7.680 7.927 -0.247 1 1 786 . 14 1 1 A 70 70 GLU HA H 70 4.500 4.668 -0.168 1 1 791 . 14 1 1 A 70 70 GLU CA C 70 55.200 54.764 0.436 1 1 792 . 14 1 1 A 70 70 GLU CB C 70 30.800 30.827 -0.027 1 1 794 . 14 1 1 A 70 70 GLU N N 70 118.300 118.942 -0.642 1 1 795 . 14 1 1 A 71 71 ASP H H 71 8.660 8.576 0.084 1 1 796 . 14 1 1 A 71 71 ASP HA H 71 4.640 4.837 -0.197 1 1 799 . 14 1 1 A 71 71 ASP CA C 71 53.400 53.985 -0.585 1 1 800 . 14 1 1 A 71 71 ASP CB C 71 40.800 42.437 -1.637 1 1 801 . 14 1 1 A 71 71 ASP N N 71 121.100 122.442 -1.342 1 1 802 . 14 1 1 A 72 72 LYS H H 72 8.980 9.094 -0.114 1 1 803 . 14 1 1 A 72 72 LYS HA H 72 4.270 4.445 -0.175 1 1 812 . 14 1 1 A 72 72 LYS CA C 72 56.400 56.536 -0.136 1 1 813 . 14 1 1 A 72 72 LYS CB C 72 32.400 32.102 0.298 1 1 817 . 14 1 1 A 72 72 LYS N N 72 126.200 125.671 0.529 1 1 818 . 14 1 1 A 73 73 LYS H H 73 8.460 7.851 0.609 1 1 819 . 14 1 1 A 73 73 LYS HA H 73 4.180 4.365 -0.185 1 1 828 . 14 1 1 A 73 73 LYS CA C 73 56.500 55.945 0.555 1 1 829 . 14 1 1 A 73 73 LYS CB C 73 31.600 32.754 -1.154 1 1 833 . 14 1 1 A 73 73 LYS N N 73 120.300 118.167 2.133 1 1 834 . 14 1 1 A 74 74 LEU H H 74 7.910 7.225 0.685 1 1 835 . 14 1 1 A 74 74 LEU HA H 74 4.260 4.524 -0.264 1 1 845 . 14 1 1 A 74 74 LEU CA C 74 55.000 54.292 0.708 1 1 846 . 14 1 1 A 74 74 LEU CB C 74 42.200 40.011 2.189 1 1 850 . 14 1 1 A 74 74 LEU N N 74 120.900 122.103 -1.203 1 1 851 . 14 1 1 A 75 75 ASN H H 75 8.320 8.749 -0.429 1 1 852 . 14 1 1 A 75 75 ASN HA H 75 4.710 4.663 0.047 1 1 857 . 14 1 1 A 75 75 ASN CA C 75 53.000 50.889 2.111 1 1 858 . 14 1 1 A 75 75 ASN CB C 75 38.700 40.553 -1.853 1 1 859 . 14 1 1 A 75 75 ASN N N 75 119.300 122.926 -3.626 1 1 861 . 14 1 1 A 76 76 ILE H H 76 8.010 8.536 -0.526 1 1 862 . 14 1 1 A 76 76 ILE HA H 76 4.180 4.212 -0.032 1 1 872 . 14 1 1 A 76 76 ILE CA C 76 61.000 62.308 -1.308 1 1 873 . 14 1 1 A 76 76 ILE CB C 76 38.700 38.021 0.679 1 1 877 . 14 1 1 A 76 76 ILE N N 76 120.200 121.576 -1.376 1 1 878 . 14 1 1 A 77 77 ASP H H 77 8.390 8.569 -0.179 1 1 879 . 14 1 1 A 77 77 ASP HA H 77 4.660 4.888 -0.228 1 1 882 . 14 1 1 A 77 77 ASP CA C 77 54.200 54.238 -0.038 1 1 883 . 14 1 1 A 77 77 ASP CB C 77 41.100 43.950 -2.850 1 1 884 . 14 1 1 A 77 77 ASP N N 77 123.500 126.444 -2.944 1 1 885 . 14 1 1 A 78 78 THR H H 78 8.010 8.633 -0.623 1 1 886 . 14 1 1 A 78 78 THR HA H 78 4.310 4.300 0.010 1 1 891 . 14 1 1 A 78 78 THR CA C 78 61.600 62.645 -1.045 1 1 892 . 14 1 1 A 78 78 THR CB C 78 69.700 69.047 0.653 1 1 894 . 14 1 1 A 78 78 THR N N 78 114.200 116.662 -2.462 1 1 895 . 14 1 1 A 79 79 VAL H H 79 8.090 8.628 -0.538 1 1 896 . 14 1 1 A 79 79 VAL HA H 79 4.390 4.782 -0.392 1 1 904 . 14 1 1 A 79 79 VAL CA C 79 59.900 58.945 0.955 1 1 905 . 14 1 1 A 79 79 VAL CB C 79 32.400 33.222 -0.822 1 1 908 . 14 1 1 A 79 79 VAL N N 79 124.000 126.340 -2.340 1 1 909 . 14 1 1 A 80 80 PRO HA H 80 4.420 4.588 -0.168 1 1 916 . 14 1 1 A 80 80 PRO CA C 80 62.900 62.286 0.614 1 1 917 . 14 1 1 A 80 80 PRO CB C 80 31.900 32.686 -0.786 1 1 920 . 14 1 1 A 81 81 ILE H H 81 8.210 8.406 -0.196 1 1 921 . 14 1 1 A 81 81 ILE HA H 81 4.110 4.247 -0.137 1 1 931 . 14 1 1 A 81 81 ILE CA C 81 61.200 60.955 0.245 1 1 932 . 14 1 1 A 81 81 ILE CB C 81 38.600 37.264 1.336 1 1 936 . 14 1 1 A 81 81 ILE N N 81 121.300 122.086 -0.786 1 1 937 . 14 1 1 A 82 82 GLU H H 82 8.510 8.480 0.030 1 1 938 . 14 1 1 A 82 82 GLU HA H 82 4.300 4.686 -0.386 1 1 943 . 14 1 1 A 82 82 GLU CA C 82 56.300 54.700 1.600 1 1 944 . 14 1 1 A 82 82 GLU CB C 82 30.000 31.974 -1.974 1 1 946 . 14 1 1 A 82 82 GLU N N 82 124.600 126.718 -2.118 1 1 947 . 14 1 1 A 83 83 SER H H 83 8.330 8.673 -0.343 1 1 948 . 14 1 1 A 83 83 SER HA H 83 4.400 4.444 -0.044 1 1 951 . 14 1 1 A 83 83 SER CA C 83 58.500 59.967 -1.467 1 1 952 . 14 1 1 A 83 83 SER CB C 83 63.600 63.180 0.420 1 1 953 . 14 1 1 A 83 83 SER N N 83 116.900 117.189 -0.289 1 1 954 . 14 1 1 A 84 84 GLY H H 84 8.400 8.460 -0.060 1 1 955 . 14 1 1 A 84 84 GLY HA2 H 84 3.900 3.906 -0.006 1 1 956 . 14 1 1 A 84 84 GLY HA3 H 84 3.900 4.040 -0.140 1 1 957 . 14 1 1 A 84 84 GLY CA C 84 45.300 43.968 1.332 1 1 958 . 14 1 1 A 84 84 GLY N N 84 110.400 113.557 -3.157 1 1 959 . 14 1 1 A 85 85 TYR H H 85 8.000 8.166 -0.166 1 1 960 . 14 1 1 A 85 85 TYR HA H 85 4.600 5.335 -0.735 1 1 967 . 14 1 1 A 85 85 TYR CA C 85 57.900 56.417 1.483 1 1 968 . 14 1 1 A 85 85 TYR CB C 85 38.700 43.126 -4.426 1 1 971 . 14 1 1 A 85 85 TYR N N 85 120.000 119.275 0.725 1 1 972 . 14 1 1 A 86 86 THR H H 86 8.070 8.510 -0.440 1 1 973 . 14 1 1 A 86 86 THR HA H 86 4.280 4.536 -0.256 1 1 978 . 14 1 1 A 86 86 THR CA C 86 61.600 62.068 -0.468 1 1 979 . 14 1 1 A 86 86 THR CB C 86 69.700 69.681 0.019 1 1 1 . 15 1 1 A 4 4 ASP H H 4 8.270 8.139 0.131 1 1 2 . 15 1 1 A 4 4 ASP HA H 4 4.550 4.788 -0.238 1 1 5 . 15 1 1 A 4 4 ASP CA C 4 54.700 53.867 0.833 1 1 6 . 15 1 1 A 4 4 ASP CB C 4 41.400 43.942 -2.542 1 1 7 . 15 1 1 A 4 4 ASP N N 4 121.200 116.736 4.464 1 1 8 . 15 1 1 A 5 5 LYS HA H 5 4.160 4.068 0.092 1 1 13 . 15 1 1 A 5 5 LYS CA C 5 58.300 59.316 -1.016 1 1 14 . 15 1 1 A 5 5 LYS CB C 5 32.400 32.121 0.279 1 1 16 . 15 1 1 A 6 6 GLN H H 6 8.170 8.311 -0.141 1 1 17 . 15 1 1 A 6 6 GLN HA H 6 4.090 4.077 0.013 1 1 24 . 15 1 1 A 6 6 GLN CA C 6 59.000 58.636 0.364 1 1 25 . 15 1 1 A 6 6 GLN CB C 6 28.500 27.747 0.753 1 1 27 . 15 1 1 A 6 6 GLN N N 6 117.400 118.422 -1.022 1 1 29 . 15 1 1 A 7 7 LYS H H 7 7.970 8.639 -0.669 1 1 30 . 15 1 1 A 7 7 LYS HA H 7 4.030 4.128 -0.098 1 1 39 . 15 1 1 A 7 7 LYS CA C 7 59.500 58.937 0.563 1 1 40 . 15 1 1 A 7 7 LYS CB C 7 32.500 32.270 0.230 1 1 44 . 15 1 1 A 7 7 LYS N N 7 119.400 119.850 -0.450 1 1 45 . 15 1 1 A 8 8 ALA H H 8 7.980 7.633 0.347 1 1 46 . 15 1 1 A 8 8 ALA HA H 8 4.110 4.141 -0.031 1 1 50 . 15 1 1 A 8 8 ALA CA C 8 55.000 55.029 -0.029 1 1 51 . 15 1 1 A 8 8 ALA CB C 8 18.100 18.339 -0.239 1 1 52 . 15 1 1 A 8 8 ALA N N 8 123.300 120.406 2.894 1 1 53 . 15 1 1 A 9 9 ILE H H 9 8.070 7.977 0.093 1 1 54 . 15 1 1 A 9 9 ILE HA H 9 3.760 3.721 0.039 1 1 64 . 15 1 1 A 9 9 ILE CA C 9 63.800 65.445 -1.645 1 1 65 . 15 1 1 A 9 9 ILE CB C 9 38.900 37.764 1.136 1 1 69 . 15 1 1 A 9 9 ILE N N 9 119.200 120.313 -1.113 1 1 70 . 15 1 1 A 10 10 PHE H H 10 8.020 8.780 -0.760 1 1 71 . 15 1 1 A 10 10 PHE HA H 10 4.720 4.445 0.275 1 1 79 . 15 1 1 A 10 10 PHE CA C 10 60.400 62.048 -1.648 1 1 80 . 15 1 1 A 10 10 PHE CB C 10 39.400 39.066 0.334 1 1 84 . 15 1 1 A 10 10 PHE N N 10 118.900 121.243 -2.343 1 1 85 . 15 1 1 A 11 11 SER H H 11 8.420 8.662 -0.242 1 1 86 . 15 1 1 A 11 11 SER HA H 11 3.890 4.078 -0.188 1 1 89 . 15 1 1 A 11 11 SER CA C 11 62.000 61.537 0.463 1 1 90 . 15 1 1 A 11 11 SER CB C 11 62.800 62.547 0.253 1 1 91 . 15 1 1 A 11 11 SER N N 11 112.700 113.797 -1.097 1 1 92 . 15 1 1 A 12 12 GLU H H 12 8.050 7.453 0.597 1 1 93 . 15 1 1 A 12 12 GLU HA H 12 4.130 4.060 0.070 1 1 98 . 15 1 1 A 12 12 GLU CA C 12 59.400 59.200 0.200 1 1 99 . 15 1 1 A 12 12 GLU CB C 12 29.100 29.590 -0.490 1 1 101 . 15 1 1 A 12 12 GLU N N 12 123.000 122.279 0.721 1 1 102 . 15 1 1 A 13 13 ASN H H 13 8.390 8.826 -0.436 1 1 103 . 15 1 1 A 13 13 ASN HA H 13 4.470 4.372 0.098 1 1 108 . 15 1 1 A 13 13 ASN CA C 13 55.700 56.240 -0.540 1 1 109 . 15 1 1 A 13 13 ASN CB C 13 37.900 38.579 -0.679 1 1 110 . 15 1 1 A 13 13 ASN N N 13 119.100 118.551 0.549 1 1 112 . 15 1 1 A 14 14 LEU H H 14 9.170 7.981 1.189 1 1 113 . 15 1 1 A 14 14 LEU HA H 14 3.860 3.943 -0.083 1 1 123 . 15 1 1 A 14 14 LEU CA C 14 58.800 57.647 1.153 1 1 124 . 15 1 1 A 14 14 LEU CB C 14 41.100 41.397 -0.297 1 1 128 . 15 1 1 A 14 14 LEU N N 14 122.200 120.732 1.468 1 1 129 . 15 1 1 A 15 15 ASN H H 15 8.700 8.170 0.530 1 1 130 . 15 1 1 A 15 15 ASN HA H 15 4.520 4.345 0.175 1 1 135 . 15 1 1 A 15 15 ASN CA C 15 56.600 57.016 -0.416 1 1 136 . 15 1 1 A 15 15 ASN CB C 15 37.900 39.592 -1.692 1 1 137 . 15 1 1 A 15 15 ASN N N 15 115.400 117.787 -2.387 1 1 139 . 15 1 1 A 16 16 SER H H 16 7.860 8.179 -0.319 1 1 140 . 15 1 1 A 16 16 SER HA H 16 4.250 4.101 0.149 1 1 143 . 15 1 1 A 16 16 SER CA C 16 61.400 61.172 0.228 1 1 144 . 15 1 1 A 16 16 SER CB C 16 62.100 61.933 0.167 1 1 145 . 15 1 1 A 16 16 SER N N 16 117.600 115.699 1.901 1 1 146 . 15 1 1 A 17 17 TYR H H 17 7.740 7.517 0.223 1 1 147 . 15 1 1 A 17 17 TYR HA H 17 3.900 4.435 -0.535 1 1 154 . 15 1 1 A 17 17 TYR CA C 17 63.500 60.978 2.522 1 1 155 . 15 1 1 A 17 17 TYR CB C 17 35.600 37.629 -2.029 1 1 158 . 15 1 1 A 17 17 TYR N N 17 120.700 118.915 1.785 1 1 159 . 15 1 1 A 18 18 ILE H H 18 8.660 8.086 0.574 1 1 160 . 15 1 1 A 18 18 ILE HA H 18 3.710 3.878 -0.168 1 1 170 . 15 1 1 A 18 18 ILE CA C 18 66.400 65.455 0.945 1 1 171 . 15 1 1 A 18 18 ILE CB C 18 38.300 39.064 -0.764 1 1 175 . 15 1 1 A 18 18 ILE N N 18 121.800 120.535 1.265 1 1 176 . 15 1 1 A 19 19 ALA H H 19 8.010 8.417 -0.407 1 1 177 . 15 1 1 A 19 19 ALA HA H 19 4.220 4.071 0.149 1 1 181 . 15 1 1 A 19 19 ALA CA C 19 55.000 55.075 -0.075 1 1 182 . 15 1 1 A 19 19 ALA CB C 19 17.800 18.146 -0.346 1 1 183 . 15 1 1 A 19 19 ALA N N 19 121.900 121.959 -0.059 1 1 184 . 15 1 1 A 20 20 LYS H H 20 7.650 8.029 -0.379 1 1 185 . 15 1 1 A 20 20 LYS HA H 20 4.200 4.146 0.054 1 1 194 . 15 1 1 A 20 20 LYS CA C 20 57.900 58.939 -1.039 1 1 195 . 15 1 1 A 20 20 LYS CB C 20 33.000 32.250 0.750 1 1 199 . 15 1 1 A 20 20 LYS N N 20 116.500 117.994 -1.494 1 1 200 . 15 1 1 A 21 21 SER H H 21 8.000 7.832 0.168 1 1 201 . 15 1 1 A 21 21 SER HA H 21 4.460 4.563 -0.103 1 1 204 . 15 1 1 A 21 21 SER CA C 21 60.100 59.099 1.001 1 1 205 . 15 1 1 A 21 21 SER CB C 21 64.700 63.797 0.903 1 1 206 . 15 1 1 A 21 21 SER N N 21 114.400 113.505 0.895 1 1 207 . 15 1 1 A 22 22 GLU H H 22 7.970 8.007 -0.037 1 1 208 . 15 1 1 A 22 22 GLU HA H 22 4.140 4.015 0.125 1 1 213 . 15 1 1 A 22 22 GLU CA C 22 57.900 57.835 0.065 1 1 214 . 15 1 1 A 22 22 GLU CB C 22 27.700 27.546 0.154 1 1 216 . 15 1 1 A 22 22 GLU N N 22 116.000 118.499 -2.499 1 1 217 . 15 1 1 A 23 23 LYS H H 23 8.070 7.968 0.102 1 1 218 . 15 1 1 A 23 23 LYS HA H 23 4.730 4.461 0.269 1 1 227 . 15 1 1 A 23 23 LYS CA C 23 53.800 55.972 -2.172 1 1 228 . 15 1 1 A 23 23 LYS CB C 23 34.300 33.307 0.993 1 1 232 . 15 1 1 A 23 23 LYS N N 23 119.500 119.263 0.237 1 1 233 . 15 1 1 A 24 24 THR H H 24 8.690 8.684 0.006 1 1 234 . 15 1 1 A 24 24 THR HA H 24 4.460 4.705 -0.245 1 1 239 . 15 1 1 A 24 24 THR CA C 24 60.200 60.679 -0.479 1 1 240 . 15 1 1 A 24 24 THR CB C 24 71.200 71.310 -0.110 1 1 242 . 15 1 1 A 24 24 THR N N 24 109.900 113.983 -4.083 1 1 243 . 15 1 1 A 25 25 GLN H H 25 8.840 9.024 -0.184 1 1 244 . 15 1 1 A 25 25 GLN HA H 25 3.640 4.032 -0.392 1 1 251 . 15 1 1 A 25 25 GLN CA C 25 59.900 59.124 0.776 1 1 252 . 15 1 1 A 25 25 GLN CB C 25 28.300 28.550 -0.250 1 1 254 . 15 1 1 A 25 25 GLN N N 25 118.500 121.201 -2.701 1 1 256 . 15 1 1 A 26 26 LEU H H 26 7.690 7.994 -0.304 1 1 257 . 15 1 1 A 26 26 LEU HA H 26 3.790 3.949 -0.159 1 1 267 . 15 1 1 A 26 26 LEU CA C 26 57.900 57.695 0.205 1 1 268 . 15 1 1 A 26 26 LEU CB C 26 41.800 41.233 0.567 1 1 272 . 15 1 1 A 26 26 LEU N N 26 116.000 121.531 -5.531 1 1 273 . 15 1 1 A 27 27 GLU H H 27 7.540 8.179 -0.639 1 1 274 . 15 1 1 A 27 27 GLU HA H 27 3.880 3.918 -0.038 1 1 279 . 15 1 1 A 27 27 GLU CA C 27 58.800 59.492 -0.692 1 1 280 . 15 1 1 A 27 27 GLU CB C 27 29.500 29.406 0.094 1 1 282 . 15 1 1 A 27 27 GLU N N 27 118.200 118.619 -0.419 1 1 283 . 15 1 1 A 28 28 ILE H H 28 7.710 7.556 0.154 1 1 284 . 15 1 1 A 28 28 ILE HA H 28 2.970 3.328 -0.358 1 1 294 . 15 1 1 A 28 28 ILE CA C 28 65.100 64.717 0.383 1 1 295 . 15 1 1 A 28 28 ILE CB C 28 37.400 37.339 0.061 1 1 299 . 15 1 1 A 28 28 ILE N N 28 121.400 119.900 1.500 1 1 300 . 15 1 1 A 29 29 ALA H H 29 7.690 7.907 -0.217 1 1 301 . 15 1 1 A 29 29 ALA HA H 29 3.230 3.748 -0.518 1 1 305 . 15 1 1 A 29 29 ALA CA C 29 55.300 55.471 -0.171 1 1 306 . 15 1 1 A 29 29 ALA CB C 29 16.300 18.872 -2.572 1 1 307 . 15 1 1 A 29 29 ALA N N 29 120.500 121.933 -1.433 1 1 308 . 15 1 1 A 30 30 LYS H H 30 7.580 8.028 -0.448 1 1 309 . 15 1 1 A 30 30 LYS HA H 30 4.050 3.880 0.170 1 1 318 . 15 1 1 A 30 30 LYS CA C 30 58.800 59.244 -0.444 1 1 319 . 15 1 1 A 30 30 LYS CB C 30 32.000 32.141 -0.141 1 1 323 . 15 1 1 A 30 30 LYS N N 30 114.800 118.687 -3.887 1 1 324 . 15 1 1 A 31 31 SER H H 31 7.680 7.721 -0.041 1 1 325 . 15 1 1 A 31 31 SER HA H 31 4.220 4.231 -0.011 1 1 328 . 15 1 1 A 31 31 SER CA C 31 62.300 62.154 0.146 1 1 329 . 15 1 1 A 31 31 SER CB C 31 63.300 62.846 0.454 1 1 330 . 15 1 1 A 31 31 SER N N 31 115.800 116.489 -0.689 1 1 331 . 15 1 1 A 32 32 ILE H H 32 7.800 7.265 0.535 1 1 332 . 15 1 1 A 32 32 ILE HA H 32 4.400 4.106 0.294 1 1 342 . 15 1 1 A 32 32 ILE CA C 32 60.300 62.840 -2.540 1 1 343 . 15 1 1 A 32 32 ILE CB C 32 37.500 38.553 -1.053 1 1 347 . 15 1 1 A 32 32 ILE N N 32 113.800 117.094 -3.294 1 1 348 . 15 1 1 A 33 33 GLY H H 33 7.880 8.356 -0.476 1 1 349 . 15 1 1 A 33 33 GLY HA2 H 33 3.890 4.035 -0.145 1 1 350 . 15 1 1 A 33 33 GLY HA3 H 33 4.040 4.057 -0.017 1 1 351 . 15 1 1 A 33 33 GLY CA C 33 46.800 45.008 1.792 1 1 352 . 15 1 1 A 33 33 GLY N N 33 110.500 108.707 1.793 1 1 353 . 15 1 1 A 34 34 VAL H H 34 7.910 7.745 0.165 1 1 354 . 15 1 1 A 34 34 VAL HA H 34 4.720 4.250 0.470 1 1 362 . 15 1 1 A 34 34 VAL CA C 34 58.700 61.367 -2.667 1 1 363 . 15 1 1 A 34 34 VAL CB C 34 35.500 32.896 2.604 1 1 366 . 15 1 1 A 34 34 VAL N N 34 113.500 119.458 -5.958 1 1 367 . 15 1 1 A 35 35 SER H H 35 8.650 8.726 -0.076 1 1 368 . 15 1 1 A 35 35 SER HA H 35 4.580 4.595 -0.015 1 1 371 . 15 1 1 A 35 35 SER CA C 35 55.900 57.139 -1.239 1 1 372 . 15 1 1 A 35 35 SER CB C 35 62.800 62.619 0.181 1 1 373 . 15 1 1 A 35 35 SER N N 35 118.400 119.376 -0.976 1 1 374 . 15 1 1 A 36 36 PRO HA H 36 3.950 4.189 -0.239 1 1 381 . 15 1 1 A 36 36 PRO CA C 36 65.100 65.466 -0.366 1 1 382 . 15 1 1 A 36 36 PRO CB C 36 31.500 32.018 -0.518 1 1 385 . 15 1 1 A 37 37 GLN H H 37 8.300 8.215 0.085 1 1 386 . 15 1 1 A 37 37 GLN HA H 37 4.030 4.030 0.000 1 1 393 . 15 1 1 A 37 37 GLN CA C 37 59.400 58.938 0.462 1 1 394 . 15 1 1 A 37 37 GLN CB C 37 27.400 28.515 -1.115 1 1 396 . 15 1 1 A 37 37 GLN N N 37 117.300 117.192 0.108 1 1 398 . 15 1 1 A 38 38 THR H H 38 7.790 7.579 0.211 1 1 399 . 15 1 1 A 38 38 THR HA H 38 3.590 3.802 -0.212 1 1 404 . 15 1 1 A 38 38 THR CA C 38 66.000 66.097 -0.097 1 1 405 . 15 1 1 A 38 38 THR CB C 38 67.900 68.349 -0.449 1 1 407 . 15 1 1 A 38 38 THR N N 38 119.500 116.160 3.340 1 1 408 . 15 1 1 A 39 39 PHE H H 39 8.150 7.831 0.319 1 1 409 . 15 1 1 A 39 39 PHE HA H 39 2.690 3.398 -0.708 1 1 417 . 15 1 1 A 39 39 PHE CA C 39 60.700 61.522 -0.822 1 1 418 . 15 1 1 A 39 39 PHE CB C 39 39.500 38.954 0.546 1 1 422 . 15 1 1 A 39 39 PHE N N 39 123.200 122.690 0.510 1 1 423 . 15 1 1 A 40 40 ASN H H 40 8.270 8.593 -0.323 1 1 424 . 15 1 1 A 40 40 ASN HA H 40 4.410 4.451 -0.041 1 1 429 . 15 1 1 A 40 40 ASN CA C 40 56.800 56.187 0.613 1 1 430 . 15 1 1 A 40 40 ASN CB C 40 38.700 39.066 -0.366 1 1 431 . 15 1 1 A 40 40 ASN N N 40 115.400 117.360 -1.960 1 1 433 . 15 1 1 A 41 41 THR H H 41 7.520 7.868 -0.348 1 1 434 . 15 1 1 A 41 41 THR HA H 41 4.010 4.093 -0.083 1 1 439 . 15 1 1 A 41 41 THR CA C 41 66.000 64.959 1.041 1 1 440 . 15 1 1 A 41 41 THR CB C 41 69.100 68.551 0.549 1 1 442 . 15 1 1 A 41 41 THR N N 41 109.700 113.196 -3.496 1 1 443 . 15 1 1 A 42 42 TRP H H 42 7.190 6.743 0.447 1 1 444 . 15 1 1 A 42 42 TRP HA H 42 5.420 4.551 0.869 1 1 453 . 15 1 1 A 42 42 TRP CA C 42 56.300 59.424 -3.124 1 1 454 . 15 1 1 A 42 42 TRP CB C 42 28.400 29.663 -1.263 1 1 460 . 15 1 1 A 42 42 TRP N N 42 124.000 121.260 2.740 1 1 462 . 15 1 1 A 43 43 CYS H H 43 7.610 8.213 -0.603 1 1 463 . 15 1 1 A 43 43 CYS HA H 43 4.090 3.936 0.154 1 1 466 . 15 1 1 A 43 43 CYS CA C 43 62.600 63.132 -0.532 1 1 467 . 15 1 1 A 43 43 CYS CB C 43 27.600 27.097 0.503 1 1 468 . 15 1 1 A 43 43 CYS N N 43 117.200 118.337 -1.137 1 1 469 . 15 1 1 A 44 44 LYS H H 44 7.870 7.997 -0.127 1 1 470 . 15 1 1 A 44 44 LYS HA H 44 4.410 4.370 0.040 1 1 479 . 15 1 1 A 44 44 LYS CA C 44 55.500 55.974 -0.474 1 1 480 . 15 1 1 A 44 44 LYS CB C 44 33.100 32.147 0.953 1 1 484 . 15 1 1 A 44 44 LYS N N 44 115.700 117.980 -2.280 1 1 485 . 15 1 1 A 45 45 GLY H H 45 7.800 7.962 -0.162 1 1 486 . 15 1 1 A 45 45 GLY HA2 H 45 3.980 3.946 0.034 1 1 487 . 15 1 1 A 45 45 GLY HA3 H 45 4.200 3.986 0.214 1 1 488 . 15 1 1 A 45 45 GLY CA C 45 46.100 46.911 -0.811 1 1 489 . 15 1 1 A 45 45 GLY N N 45 107.200 108.104 -0.904 1 1 490 . 15 1 1 A 46 46 ILE H H 46 7.890 8.390 -0.500 1 1 491 . 15 1 1 A 46 46 ILE HA H 46 4.110 4.050 0.060 1 1 501 . 15 1 1 A 46 46 ILE CA C 46 61.600 63.207 -1.607 1 1 502 . 15 1 1 A 46 46 ILE CB C 46 39.100 38.651 0.449 1 1 506 . 15 1 1 A 46 46 ILE N N 46 115.700 117.218 -1.518 1 1 507 . 15 1 1 A 47 47 ALA H H 47 7.540 7.790 -0.250 1 1 508 . 15 1 1 A 47 47 ALA HA H 47 4.590 4.962 -0.372 1 1 512 . 15 1 1 A 47 47 ALA CA C 47 50.700 50.393 0.307 1 1 513 . 15 1 1 A 47 47 ALA CB C 47 22.600 22.634 -0.034 1 1 514 . 15 1 1 A 47 47 ALA N N 47 121.600 119.774 1.826 1 1 515 . 15 1 1 A 48 48 ILE H H 48 8.260 8.850 -0.590 1 1 516 . 15 1 1 A 48 48 ILE HA H 48 4.080 4.482 -0.402 1 1 526 . 15 1 1 A 48 48 ILE CA C 48 56.600 57.375 -0.775 1 1 527 . 15 1 1 A 48 48 ILE CB C 48 40.800 38.789 2.011 1 1 531 . 15 1 1 A 48 48 ILE N N 48 118.900 120.149 -1.249 1 1 532 . 15 1 1 A 49 49 PRO HA H 49 4.230 4.506 -0.276 1 1 539 . 15 1 1 A 49 49 PRO CA C 49 61.300 62.370 -1.070 1 1 540 . 15 1 1 A 49 49 PRO CB C 49 31.900 31.083 0.817 1 1 543 . 15 1 1 A 50 50 ARG H H 50 8.130 8.789 -0.659 1 1 544 . 15 1 1 A 50 50 ARG HA H 50 4.170 4.386 -0.216 1 1 551 . 15 1 1 A 50 50 ARG CA C 50 55.600 55.422 0.178 1 1 552 . 15 1 1 A 50 50 ARG CB C 50 30.500 31.207 -0.707 1 1 555 . 15 1 1 A 50 50 ARG N N 50 115.900 121.683 -5.783 1 1 556 . 15 1 1 A 51 51 MET H H 51 8.680 8.729 -0.049 1 1 557 . 15 1 1 A 51 51 MET HA H 51 4.120 4.088 0.032 1 1 565 . 15 1 1 A 51 51 MET CA C 51 57.700 58.216 -0.516 1 1 566 . 15 1 1 A 51 51 MET CB C 51 31.200 32.111 -0.911 1 1 569 . 15 1 1 A 51 51 MET N N 51 120.000 122.640 -2.640 1 1 570 . 15 1 1 A 52 52 GLY HA2 H 52 4.000 3.811 0.189 1 1 571 . 15 1 1 A 52 52 GLY HA3 H 52 3.920 3.817 0.103 1 1 572 . 15 1 1 A 52 52 GLY CA C 52 46.800 47.041 -0.241 1 1 573 . 15 1 1 A 53 53 LYS H H 53 7.520 7.983 -0.463 1 1 574 . 15 1 1 A 53 53 LYS HA H 53 4.450 4.233 0.217 1 1 583 . 15 1 1 A 53 53 LYS CA C 53 56.200 59.184 -2.984 1 1 584 . 15 1 1 A 53 53 LYS CB C 53 32.200 32.983 -0.783 1 1 588 . 15 1 1 A 53 53 LYS N N 53 119.900 122.402 -2.502 1 1 589 . 15 1 1 A 54 54 VAL H H 54 7.650 7.773 -0.123 1 1 590 . 15 1 1 A 54 54 VAL HA H 54 3.420 3.533 -0.113 1 1 598 . 15 1 1 A 54 54 VAL CA C 54 67.600 66.725 0.875 1 1 599 . 15 1 1 A 54 54 VAL CB C 54 30.600 31.225 -0.625 1 1 602 . 15 1 1 A 54 54 VAL N N 54 121.300 120.230 1.070 1 1 603 . 15 1 1 A 55 55 GLN H H 55 8.460 8.396 0.064 1 1 604 . 15 1 1 A 55 55 GLN HA H 55 3.790 3.966 -0.176 1 1 611 . 15 1 1 A 55 55 GLN CA C 55 58.000 58.500 -0.500 1 1 612 . 15 1 1 A 55 55 GLN CB C 55 28.200 28.585 -0.385 1 1 614 . 15 1 1 A 55 55 GLN N N 55 118.100 120.628 -2.528 1 1 616 . 15 1 1 A 56 56 ALA H H 56 7.550 7.957 -0.407 1 1 617 . 15 1 1 A 56 56 ALA HA H 56 4.310 4.182 0.128 1 1 621 . 15 1 1 A 56 56 ALA CA C 56 55.100 55.144 -0.044 1 1 622 . 15 1 1 A 56 56 ALA CB C 56 18.100 18.244 -0.144 1 1 623 . 15 1 1 A 56 56 ALA N N 56 120.300 122.118 -1.818 1 1 624 . 15 1 1 A 57 57 LEU H H 57 8.170 8.201 -0.031 1 1 625 . 15 1 1 A 57 57 LEU HA H 57 3.950 4.169 -0.219 1 1 635 . 15 1 1 A 57 57 LEU CA C 57 57.500 58.230 -0.730 1 1 636 . 15 1 1 A 57 57 LEU CB C 57 43.500 41.950 1.550 1 1 640 . 15 1 1 A 57 57 LEU N N 57 120.100 119.692 0.408 1 1 641 . 15 1 1 A 58 58 ALA H H 58 8.430 8.555 -0.125 1 1 642 . 15 1 1 A 58 58 ALA HA H 58 3.820 4.067 -0.247 1 1 646 . 15 1 1 A 58 58 ALA CA C 58 54.600 54.962 -0.362 1 1 647 . 15 1 1 A 58 58 ALA CB C 58 16.400 18.188 -1.788 1 1 648 . 15 1 1 A 58 58 ALA N N 58 122.600 121.266 1.334 1 1 649 . 15 1 1 A 59 59 ASP H H 59 8.790 8.319 0.471 1 1 650 . 15 1 1 A 59 59 ASP HA H 59 4.440 4.393 0.047 1 1 653 . 15 1 1 A 59 59 ASP CA C 59 57.000 57.394 -0.394 1 1 654 . 15 1 1 A 59 59 ASP CB C 59 39.800 41.151 -1.351 1 1 655 . 15 1 1 A 59 59 ASP N N 59 117.900 119.311 -1.411 1 1 656 . 15 1 1 A 60 60 TYR H H 60 8.050 8.258 -0.208 1 1 657 . 15 1 1 A 60 60 TYR HA H 60 3.820 4.178 -0.358 1 1 664 . 15 1 1 A 60 60 TYR CA C 60 62.000 61.459 0.541 1 1 665 . 15 1 1 A 60 60 TYR CB C 60 38.200 38.474 -0.274 1 1 668 . 15 1 1 A 60 60 TYR N N 60 122.300 120.748 1.552 1 1 669 . 15 1 1 A 61 61 PHE H H 61 7.860 7.882 -0.022 1 1 670 . 15 1 1 A 61 61 PHE HA H 61 4.530 4.588 -0.058 1 1 678 . 15 1 1 A 61 61 PHE CA C 61 58.000 57.770 0.230 1 1 679 . 15 1 1 A 61 61 PHE CB C 61 39.800 39.145 0.655 1 1 683 . 15 1 1 A 61 61 PHE N N 61 114.100 115.140 -1.040 1 1 684 . 15 1 1 A 62 62 ASN H H 62 8.040 8.076 -0.036 1 1 685 . 15 1 1 A 62 62 ASN HA H 62 4.420 4.287 0.133 1 1 690 . 15 1 1 A 62 62 ASN CA C 62 54.200 54.409 -0.209 1 1 691 . 15 1 1 A 62 62 ASN CB C 62 36.800 36.638 0.162 1 1 692 . 15 1 1 A 62 62 ASN N N 62 118.100 114.233 3.867 1 1 694 . 15 1 1 A 63 63 ILE H H 63 8.360 7.609 0.751 1 1 695 . 15 1 1 A 63 63 ILE HA H 63 4.710 4.848 -0.138 1 1 705 . 15 1 1 A 63 63 ILE CA C 63 59.600 58.262 1.338 1 1 706 . 15 1 1 A 63 63 ILE CB C 63 39.700 41.802 -2.102 1 1 710 . 15 1 1 A 63 63 ILE N N 63 112.700 112.568 0.132 1 1 711 . 15 1 1 A 64 64 ASN H H 64 8.860 8.940 -0.080 1 1 712 . 15 1 1 A 64 64 ASN HA H 64 4.990 5.002 -0.012 1 1 717 . 15 1 1 A 64 64 ASN CA C 64 52.100 52.175 -0.075 1 1 718 . 15 1 1 A 64 64 ASN CB C 64 40.600 39.786 0.814 1 1 719 . 15 1 1 A 64 64 ASN N N 64 117.400 119.938 -2.538 1 1 721 . 15 1 1 A 65 65 LYS H H 65 9.250 8.908 0.342 1 1 722 . 15 1 1 A 65 65 LYS HA H 65 3.720 4.067 -0.347 1 1 731 . 15 1 1 A 65 65 LYS CA C 65 60.900 58.962 1.938 1 1 732 . 15 1 1 A 65 65 LYS CB C 65 31.200 32.026 -0.826 1 1 736 . 15 1 1 A 65 65 LYS N N 65 123.200 122.347 0.853 1 1 737 . 15 1 1 A 66 66 SER H H 66 8.700 8.065 0.635 1 1 738 . 15 1 1 A 66 66 SER HA H 66 4.050 4.295 -0.245 1 1 741 . 15 1 1 A 66 66 SER CA C 66 61.200 61.437 -0.237 1 1 742 . 15 1 1 A 66 66 SER CB C 66 62.200 63.209 -1.009 1 1 743 . 15 1 1 A 66 66 SER N N 66 114.300 117.896 -3.596 1 1 744 . 15 1 1 A 67 67 ASP H H 67 7.510 8.338 -0.828 1 1 745 . 15 1 1 A 67 67 ASP HA H 67 4.500 4.489 0.011 1 1 748 . 15 1 1 A 67 67 ASP CA C 67 56.700 57.009 -0.309 1 1 749 . 15 1 1 A 67 67 ASP CB C 67 41.000 40.304 0.696 1 1 750 . 15 1 1 A 67 67 ASP N N 67 119.800 122.213 -2.413 1 1 751 . 15 1 1 A 68 68 LEU H H 68 7.440 7.335 0.105 1 1 752 . 15 1 1 A 68 68 LEU HA H 68 4.500 4.319 0.181 1 1 762 . 15 1 1 A 68 68 LEU CA C 68 55.700 55.803 -0.103 1 1 763 . 15 1 1 A 68 68 LEU CB C 68 43.500 42.593 0.907 1 1 767 . 15 1 1 A 68 68 LEU N N 68 113.800 117.696 -3.896 1 1 768 . 15 1 1 A 69 69 ILE H H 69 7.500 7.632 -0.132 1 1 769 . 15 1 1 A 69 69 ILE HA H 69 4.390 4.245 0.145 1 1 779 . 15 1 1 A 69 69 ILE CA C 69 61.700 62.968 -1.268 1 1 780 . 15 1 1 A 69 69 ILE CB C 69 39.600 39.245 0.355 1 1 784 . 15 1 1 A 69 69 ILE N N 69 112.800 116.817 -4.017 1 1 785 . 15 1 1 A 70 70 GLU H H 70 7.680 8.099 -0.419 1 1 786 . 15 1 1 A 70 70 GLU HA H 70 4.500 4.632 -0.132 1 1 791 . 15 1 1 A 70 70 GLU CA C 70 55.200 54.987 0.213 1 1 792 . 15 1 1 A 70 70 GLU CB C 70 30.800 30.726 0.074 1 1 794 . 15 1 1 A 70 70 GLU N N 70 118.300 119.624 -1.324 1 1 795 . 15 1 1 A 71 71 ASP H H 71 8.660 8.637 0.023 1 1 796 . 15 1 1 A 71 71 ASP HA H 71 4.640 4.743 -0.103 1 1 799 . 15 1 1 A 71 71 ASP CA C 71 53.400 52.719 0.681 1 1 800 . 15 1 1 A 71 71 ASP CB C 71 40.800 42.776 -1.976 1 1 801 . 15 1 1 A 71 71 ASP N N 71 121.100 121.963 -0.863 1 1 802 . 15 1 1 A 72 72 LYS H H 72 8.980 8.809 0.171 1 1 803 . 15 1 1 A 72 72 LYS HA H 72 4.270 4.373 -0.103 1 1 812 . 15 1 1 A 72 72 LYS CA C 72 56.400 57.933 -1.533 1 1 813 . 15 1 1 A 72 72 LYS CB C 72 32.400 32.623 -0.223 1 1 817 . 15 1 1 A 72 72 LYS N N 72 126.200 121.933 4.267 1 1 818 . 15 1 1 A 73 73 LYS H H 73 8.460 7.681 0.779 1 1 819 . 15 1 1 A 73 73 LYS HA H 73 4.180 4.343 -0.163 1 1 828 . 15 1 1 A 73 73 LYS CA C 73 56.500 56.417 0.083 1 1 829 . 15 1 1 A 73 73 LYS CB C 73 31.600 32.543 -0.943 1 1 833 . 15 1 1 A 73 73 LYS N N 73 120.300 118.162 2.138 1 1 834 . 15 1 1 A 74 74 LEU H H 74 7.910 7.820 0.090 1 1 835 . 15 1 1 A 74 74 LEU HA H 74 4.260 4.422 -0.162 1 1 845 . 15 1 1 A 74 74 LEU CA C 74 55.000 54.560 0.440 1 1 846 . 15 1 1 A 74 74 LEU CB C 74 42.200 41.401 0.799 1 1 850 . 15 1 1 A 74 74 LEU N N 74 120.900 118.893 2.007 1 1 851 . 15 1 1 A 75 75 ASN H H 75 8.320 7.668 0.652 1 1 852 . 15 1 1 A 75 75 ASN HA H 75 4.710 4.810 -0.100 1 1 857 . 15 1 1 A 75 75 ASN CA C 75 53.000 52.859 0.141 1 1 858 . 15 1 1 A 75 75 ASN CB C 75 38.700 39.062 -0.362 1 1 859 . 15 1 1 A 75 75 ASN N N 75 119.300 118.275 1.025 1 1 861 . 15 1 1 A 76 76 ILE H H 76 8.010 8.540 -0.530 1 1 862 . 15 1 1 A 76 76 ILE HA H 76 4.180 3.977 0.203 1 1 872 . 15 1 1 A 76 76 ILE CA C 76 61.000 62.139 -1.139 1 1 873 . 15 1 1 A 76 76 ILE CB C 76 38.700 38.484 0.216 1 1 877 . 15 1 1 A 76 76 ILE N N 76 120.200 124.804 -4.604 1 1 878 . 15 1 1 A 77 77 ASP H H 77 8.390 8.603 -0.213 1 1 879 . 15 1 1 A 77 77 ASP HA H 77 4.660 5.064 -0.404 1 1 882 . 15 1 1 A 77 77 ASP CA C 77 54.200 53.075 1.125 1 1 883 . 15 1 1 A 77 77 ASP CB C 77 41.100 40.779 0.321 1 1 884 . 15 1 1 A 77 77 ASP N N 77 123.500 126.012 -2.512 1 1 885 . 15 1 1 A 78 78 THR H H 78 8.010 8.624 -0.614 1 1 886 . 15 1 1 A 78 78 THR HA H 78 4.310 4.500 -0.190 1 1 891 . 15 1 1 A 78 78 THR CA C 78 61.600 61.635 -0.035 1 1 892 . 15 1 1 A 78 78 THR CB C 78 69.700 70.351 -0.651 1 1 894 . 15 1 1 A 78 78 THR N N 78 114.200 116.128 -1.928 1 1 895 . 15 1 1 A 79 79 VAL H H 79 8.090 8.405 -0.315 1 1 896 . 15 1 1 A 79 79 VAL HA H 79 4.390 4.623 -0.233 1 1 904 . 15 1 1 A 79 79 VAL CA C 79 59.900 59.330 0.570 1 1 905 . 15 1 1 A 79 79 VAL CB C 79 32.400 31.899 0.501 1 1 908 . 15 1 1 A 79 79 VAL N N 79 124.000 120.740 3.260 1 1 909 . 15 1 1 A 80 80 PRO HA H 80 4.420 4.675 -0.255 1 1 916 . 15 1 1 A 80 80 PRO CA C 80 62.900 62.138 0.762 1 1 917 . 15 1 1 A 80 80 PRO CB C 80 31.900 32.944 -1.044 1 1 920 . 15 1 1 A 81 81 ILE H H 81 8.210 8.296 -0.086 1 1 921 . 15 1 1 A 81 81 ILE HA H 81 4.110 4.194 -0.084 1 1 931 . 15 1 1 A 81 81 ILE CA C 81 61.200 61.347 -0.147 1 1 932 . 15 1 1 A 81 81 ILE CB C 81 38.600 39.267 -0.667 1 1 936 . 15 1 1 A 81 81 ILE N N 81 121.300 121.736 -0.436 1 1 937 . 15 1 1 A 82 82 GLU H H 82 8.510 8.813 -0.303 1 1 938 . 15 1 1 A 82 82 GLU HA H 82 4.300 4.363 -0.063 1 1 943 . 15 1 1 A 82 82 GLU CA C 82 56.300 55.797 0.503 1 1 944 . 15 1 1 A 82 82 GLU CB C 82 30.000 30.641 -0.641 1 1 946 . 15 1 1 A 82 82 GLU N N 82 124.600 126.744 -2.144 1 1 947 . 15 1 1 A 83 83 SER H H 83 8.330 8.766 -0.436 1 1 948 . 15 1 1 A 83 83 SER HA H 83 4.400 4.158 0.242 1 1 951 . 15 1 1 A 83 83 SER CA C 83 58.500 59.817 -1.317 1 1 952 . 15 1 1 A 83 83 SER CB C 83 63.600 61.563 2.037 1 1 953 . 15 1 1 A 83 83 SER N N 83 116.900 112.689 4.211 1 1 954 . 15 1 1 A 84 84 GLY H H 84 8.400 8.067 0.333 1 1 955 . 15 1 1 A 84 84 GLY HA2 H 84 3.900 3.986 -0.086 1 1 956 . 15 1 1 A 84 84 GLY HA3 H 84 3.900 4.005 -0.105 1 1 957 . 15 1 1 A 84 84 GLY CA C 84 45.300 45.622 -0.322 1 1 958 . 15 1 1 A 84 84 GLY N N 84 110.400 108.190 2.210 1 1 959 . 15 1 1 A 85 85 TYR H H 85 8.000 8.846 -0.846 1 1 960 . 15 1 1 A 85 85 TYR HA H 85 4.600 4.867 -0.267 1 1 967 . 15 1 1 A 85 85 TYR CA C 85 57.900 56.599 1.301 1 1 968 . 15 1 1 A 85 85 TYR CB C 85 38.700 38.382 0.318 1 1 971 . 15 1 1 A 85 85 TYR N N 85 120.000 126.177 -6.177 1 1 972 . 15 1 1 A 86 86 THR H H 86 8.070 8.547 -0.477 1 1 973 . 15 1 1 A 86 86 THR HA H 86 4.280 4.061 0.219 1 1 978 . 15 1 1 A 86 86 THR CA C 86 61.600 64.829 -3.229 1 1 979 . 15 1 1 A 86 86 THR CB C 86 69.700 69.681 0.019 1 1 1 . 16 1 1 A 4 4 ASP H H 4 8.270 9.186 -0.916 1 1 2 . 16 1 1 A 4 4 ASP HA H 4 4.550 4.314 0.236 1 1 5 . 16 1 1 A 4 4 ASP CA C 4 54.700 54.765 -0.065 1 1 6 . 16 1 1 A 4 4 ASP CB C 4 41.400 39.347 2.053 1 1 7 . 16 1 1 A 4 4 ASP N N 4 121.200 122.845 -1.645 1 1 8 . 16 1 1 A 5 5 LYS HA H 5 4.160 3.969 0.191 1 1 13 . 16 1 1 A 5 5 LYS CA C 5 58.300 58.808 -0.508 1 1 14 . 16 1 1 A 5 5 LYS CB C 5 32.400 32.294 0.106 1 1 16 . 16 1 1 A 6 6 GLN H H 6 8.170 8.031 0.139 1 1 17 . 16 1 1 A 6 6 GLN HA H 6 4.090 4.033 0.057 1 1 24 . 16 1 1 A 6 6 GLN CA C 6 59.000 59.112 -0.112 1 1 25 . 16 1 1 A 6 6 GLN CB C 6 28.500 28.255 0.245 1 1 27 . 16 1 1 A 6 6 GLN N N 6 117.400 118.531 -1.131 1 1 29 . 16 1 1 A 7 7 LYS H H 7 7.970 8.427 -0.457 1 1 30 . 16 1 1 A 7 7 LYS HA H 7 4.030 4.102 -0.072 1 1 39 . 16 1 1 A 7 7 LYS CA C 7 59.500 59.122 0.378 1 1 40 . 16 1 1 A 7 7 LYS CB C 7 32.500 32.254 0.246 1 1 44 . 16 1 1 A 7 7 LYS N N 7 119.400 119.184 0.216 1 1 45 . 16 1 1 A 8 8 ALA H H 8 7.980 7.875 0.105 1 1 46 . 16 1 1 A 8 8 ALA HA H 8 4.110 4.067 0.043 1 1 50 . 16 1 1 A 8 8 ALA CA C 8 55.000 54.926 0.074 1 1 51 . 16 1 1 A 8 8 ALA CB C 8 18.100 18.252 -0.152 1 1 52 . 16 1 1 A 8 8 ALA N N 8 123.300 122.222 1.078 1 1 53 . 16 1 1 A 9 9 ILE H H 9 8.070 7.770 0.300 1 1 54 . 16 1 1 A 9 9 ILE HA H 9 3.760 3.740 0.020 1 1 64 . 16 1 1 A 9 9 ILE CA C 9 63.800 65.398 -1.598 1 1 65 . 16 1 1 A 9 9 ILE CB C 9 38.900 37.864 1.036 1 1 69 . 16 1 1 A 9 9 ILE N N 9 119.200 119.360 -0.160 1 1 70 . 16 1 1 A 10 10 PHE H H 10 8.020 8.837 -0.817 1 1 71 . 16 1 1 A 10 10 PHE HA H 10 4.720 4.332 0.388 1 1 79 . 16 1 1 A 10 10 PHE CA C 10 60.400 62.051 -1.651 1 1 80 . 16 1 1 A 10 10 PHE CB C 10 39.400 39.052 0.348 1 1 84 . 16 1 1 A 10 10 PHE N N 10 118.900 121.126 -2.226 1 1 85 . 16 1 1 A 11 11 SER H H 11 8.420 7.924 0.496 1 1 86 . 16 1 1 A 11 11 SER HA H 11 3.890 4.072 -0.182 1 1 89 . 16 1 1 A 11 11 SER CA C 11 62.000 61.362 0.638 1 1 90 . 16 1 1 A 11 11 SER CB C 11 62.800 62.958 -0.158 1 1 91 . 16 1 1 A 11 11 SER N N 11 112.700 114.160 -1.460 1 1 92 . 16 1 1 A 12 12 GLU H H 12 8.050 8.138 -0.088 1 1 93 . 16 1 1 A 12 12 GLU HA H 12 4.130 3.976 0.154 1 1 98 . 16 1 1 A 12 12 GLU CA C 12 59.400 59.569 -0.169 1 1 99 . 16 1 1 A 12 12 GLU CB C 12 29.100 29.033 0.067 1 1 101 . 16 1 1 A 12 12 GLU N N 12 123.000 121.315 1.685 1 1 102 . 16 1 1 A 13 13 ASN H H 13 8.390 8.265 0.125 1 1 103 . 16 1 1 A 13 13 ASN HA H 13 4.470 4.504 -0.034 1 1 108 . 16 1 1 A 13 13 ASN CA C 13 55.700 56.364 -0.664 1 1 109 . 16 1 1 A 13 13 ASN CB C 13 37.900 38.457 -0.557 1 1 110 . 16 1 1 A 13 13 ASN N N 13 119.100 118.768 0.332 1 1 112 . 16 1 1 A 14 14 LEU H H 14 9.170 8.029 1.141 1 1 113 . 16 1 1 A 14 14 LEU HA H 14 3.860 3.968 -0.108 1 1 123 . 16 1 1 A 14 14 LEU CA C 14 58.800 58.145 0.655 1 1 124 . 16 1 1 A 14 14 LEU CB C 14 41.100 40.893 0.207 1 1 128 . 16 1 1 A 14 14 LEU N N 14 122.200 121.376 0.824 1 1 129 . 16 1 1 A 15 15 ASN H H 15 8.700 8.620 0.080 1 1 130 . 16 1 1 A 15 15 ASN HA H 15 4.520 4.384 0.136 1 1 135 . 16 1 1 A 15 15 ASN CA C 15 56.600 56.858 -0.258 1 1 136 . 16 1 1 A 15 15 ASN CB C 15 37.900 38.792 -0.892 1 1 137 . 16 1 1 A 15 15 ASN N N 15 115.400 117.242 -1.842 1 1 139 . 16 1 1 A 16 16 SER H H 16 7.860 7.963 -0.103 1 1 140 . 16 1 1 A 16 16 SER HA H 16 4.250 4.054 0.196 1 1 143 . 16 1 1 A 16 16 SER CA C 16 61.400 62.286 -0.886 1 1 144 . 16 1 1 A 16 16 SER CB C 16 62.100 62.647 -0.547 1 1 145 . 16 1 1 A 16 16 SER N N 16 117.600 116.098 1.502 1 1 146 . 16 1 1 A 17 17 TYR H H 17 7.740 7.642 0.098 1 1 147 . 16 1 1 A 17 17 TYR HA H 17 3.900 4.117 -0.217 1 1 154 . 16 1 1 A 17 17 TYR CA C 17 63.500 61.272 2.228 1 1 155 . 16 1 1 A 17 17 TYR CB C 17 35.600 37.520 -1.920 1 1 158 . 16 1 1 A 17 17 TYR N N 17 120.700 119.152 1.548 1 1 159 . 16 1 1 A 18 18 ILE H H 18 8.660 8.090 0.570 1 1 160 . 16 1 1 A 18 18 ILE HA H 18 3.710 3.892 -0.182 1 1 170 . 16 1 1 A 18 18 ILE CA C 18 66.400 65.499 0.901 1 1 171 . 16 1 1 A 18 18 ILE CB C 18 38.300 38.593 -0.293 1 1 175 . 16 1 1 A 18 18 ILE N N 18 121.800 120.261 1.539 1 1 176 . 16 1 1 A 19 19 ALA H H 19 8.010 8.434 -0.424 1 1 177 . 16 1 1 A 19 19 ALA HA H 19 4.220 4.153 0.067 1 1 181 . 16 1 1 A 19 19 ALA CA C 19 55.000 54.516 0.484 1 1 182 . 16 1 1 A 19 19 ALA CB C 19 17.800 18.421 -0.621 1 1 183 . 16 1 1 A 19 19 ALA N N 19 121.900 122.372 -0.472 1 1 184 . 16 1 1 A 20 20 LYS H H 20 7.650 7.485 0.165 1 1 185 . 16 1 1 A 20 20 LYS HA H 20 4.200 4.285 -0.085 1 1 194 . 16 1 1 A 20 20 LYS CA C 20 57.900 57.620 0.280 1 1 195 . 16 1 1 A 20 20 LYS CB C 20 33.000 32.746 0.254 1 1 199 . 16 1 1 A 20 20 LYS N N 20 116.500 115.730 0.770 1 1 200 . 16 1 1 A 21 21 SER H H 21 8.000 7.572 0.428 1 1 201 . 16 1 1 A 21 21 SER HA H 21 4.460 4.873 -0.413 1 1 204 . 16 1 1 A 21 21 SER CA C 21 60.100 56.660 3.440 1 1 205 . 16 1 1 A 21 21 SER CB C 21 64.700 65.094 -0.394 1 1 206 . 16 1 1 A 21 21 SER N N 21 114.400 115.470 -1.070 1 1 207 . 16 1 1 A 22 22 GLU H H 22 7.970 8.825 -0.855 1 1 208 . 16 1 1 A 22 22 GLU HA H 22 4.140 4.804 -0.664 1 1 213 . 16 1 1 A 22 22 GLU CA C 22 57.900 55.242 2.658 1 1 214 . 16 1 1 A 22 22 GLU CB C 22 27.700 30.431 -2.731 1 1 216 . 16 1 1 A 22 22 GLU N N 22 116.000 126.507 -10.507 1 1 217 . 16 1 1 A 23 23 LYS H H 23 8.070 8.381 -0.311 1 1 218 . 16 1 1 A 23 23 LYS HA H 23 4.730 4.735 -0.005 1 1 227 . 16 1 1 A 23 23 LYS CA C 23 53.800 55.649 -1.849 1 1 228 . 16 1 1 A 23 23 LYS CB C 23 34.300 35.990 -1.690 1 1 232 . 16 1 1 A 23 23 LYS N N 23 119.500 125.886 -6.386 1 1 233 . 16 1 1 A 24 24 THR H H 24 8.690 8.344 0.346 1 1 234 . 16 1 1 A 24 24 THR HA H 24 4.460 4.865 -0.405 1 1 239 . 16 1 1 A 24 24 THR CA C 24 60.200 59.860 0.340 1 1 240 . 16 1 1 A 24 24 THR CB C 24 71.200 70.722 0.478 1 1 242 . 16 1 1 A 24 24 THR N N 24 109.900 113.378 -3.478 1 1 243 . 16 1 1 A 25 25 GLN H H 25 8.840 9.186 -0.346 1 1 244 . 16 1 1 A 25 25 GLN HA H 25 3.640 3.940 -0.300 1 1 251 . 16 1 1 A 25 25 GLN CA C 25 59.900 59.335 0.565 1 1 252 . 16 1 1 A 25 25 GLN CB C 25 28.300 28.501 -0.201 1 1 254 . 16 1 1 A 25 25 GLN N N 25 118.500 122.344 -3.844 1 1 256 . 16 1 1 A 26 26 LEU H H 26 7.690 8.162 -0.472 1 1 257 . 16 1 1 A 26 26 LEU HA H 26 3.790 3.947 -0.157 1 1 267 . 16 1 1 A 26 26 LEU CA C 26 57.900 57.802 0.098 1 1 268 . 16 1 1 A 26 26 LEU CB C 26 41.800 41.569 0.231 1 1 272 . 16 1 1 A 26 26 LEU N N 26 116.000 121.311 -5.311 1 1 273 . 16 1 1 A 27 27 GLU H H 27 7.540 8.014 -0.474 1 1 274 . 16 1 1 A 27 27 GLU HA H 27 3.880 3.919 -0.039 1 1 279 . 16 1 1 A 27 27 GLU CA C 27 58.800 59.249 -0.449 1 1 280 . 16 1 1 A 27 27 GLU CB C 27 29.500 29.542 -0.042 1 1 282 . 16 1 1 A 27 27 GLU N N 27 118.200 118.944 -0.744 1 1 283 . 16 1 1 A 28 28 ILE H H 28 7.710 7.431 0.279 1 1 284 . 16 1 1 A 28 28 ILE HA H 28 2.970 2.866 0.104 1 1 294 . 16 1 1 A 28 28 ILE CA C 28 65.100 65.198 -0.098 1 1 295 . 16 1 1 A 28 28 ILE CB C 28 37.400 38.145 -0.745 1 1 299 . 16 1 1 A 28 28 ILE N N 28 121.400 119.520 1.880 1 1 300 . 16 1 1 A 29 29 ALA H H 29 7.690 8.101 -0.411 1 1 301 . 16 1 1 A 29 29 ALA HA H 29 3.230 3.642 -0.412 1 1 305 . 16 1 1 A 29 29 ALA CA C 29 55.300 55.176 0.124 1 1 306 . 16 1 1 A 29 29 ALA CB C 29 16.300 18.006 -1.706 1 1 307 . 16 1 1 A 29 29 ALA N N 29 120.500 121.363 -0.863 1 1 308 . 16 1 1 A 30 30 LYS H H 30 7.580 8.132 -0.552 1 1 309 . 16 1 1 A 30 30 LYS HA H 30 4.050 3.887 0.163 1 1 318 . 16 1 1 A 30 30 LYS CA C 30 58.800 59.340 -0.540 1 1 319 . 16 1 1 A 30 30 LYS CB C 30 32.000 32.258 -0.258 1 1 323 . 16 1 1 A 30 30 LYS N N 30 114.800 118.938 -4.138 1 1 324 . 16 1 1 A 31 31 SER H H 31 7.680 7.603 0.077 1 1 325 . 16 1 1 A 31 31 SER HA H 31 4.220 4.233 -0.013 1 1 328 . 16 1 1 A 31 31 SER CA C 31 62.300 61.272 1.028 1 1 329 . 16 1 1 A 31 31 SER CB C 31 63.300 62.695 0.605 1 1 330 . 16 1 1 A 31 31 SER N N 31 115.800 114.397 1.403 1 1 331 . 16 1 1 A 32 32 ILE H H 32 7.800 7.608 0.192 1 1 332 . 16 1 1 A 32 32 ILE HA H 32 4.400 3.890 0.510 1 1 342 . 16 1 1 A 32 32 ILE CA C 32 60.300 63.040 -2.740 1 1 343 . 16 1 1 A 32 32 ILE CB C 32 37.500 38.586 -1.086 1 1 347 . 16 1 1 A 32 32 ILE N N 32 113.800 118.181 -4.381 1 1 348 . 16 1 1 A 33 33 GLY H H 33 7.880 8.296 -0.416 1 1 349 . 16 1 1 A 33 33 GLY HA2 H 33 3.890 4.014 -0.124 1 1 350 . 16 1 1 A 33 33 GLY HA3 H 33 4.040 4.035 0.005 1 1 351 . 16 1 1 A 33 33 GLY CA C 33 46.800 45.110 1.690 1 1 352 . 16 1 1 A 33 33 GLY N N 33 110.500 108.497 2.003 1 1 353 . 16 1 1 A 34 34 VAL H H 34 7.910 7.783 0.127 1 1 354 . 16 1 1 A 34 34 VAL HA H 34 4.720 4.787 -0.067 1 1 362 . 16 1 1 A 34 34 VAL CA C 34 58.700 59.329 -0.629 1 1 363 . 16 1 1 A 34 34 VAL CB C 34 35.500 35.338 0.162 1 1 366 . 16 1 1 A 34 34 VAL N N 34 113.500 115.962 -2.462 1 1 367 . 16 1 1 A 35 35 SER H H 35 8.650 8.591 0.059 1 1 368 . 16 1 1 A 35 35 SER HA H 35 4.580 4.656 -0.076 1 1 371 . 16 1 1 A 35 35 SER CA C 35 55.900 56.876 -0.976 1 1 372 . 16 1 1 A 35 35 SER CB C 35 62.800 62.887 -0.087 1 1 373 . 16 1 1 A 35 35 SER N N 35 118.400 117.283 1.117 1 1 374 . 16 1 1 A 36 36 PRO HA H 36 3.950 4.258 -0.308 1 1 381 . 16 1 1 A 36 36 PRO CA C 36 65.100 65.472 -0.372 1 1 382 . 16 1 1 A 36 36 PRO CB C 36 31.500 31.846 -0.346 1 1 385 . 16 1 1 A 37 37 GLN H H 37 8.300 8.292 0.008 1 1 386 . 16 1 1 A 37 37 GLN HA H 37 4.030 4.028 0.002 1 1 393 . 16 1 1 A 37 37 GLN CA C 37 59.400 58.445 0.955 1 1 394 . 16 1 1 A 37 37 GLN CB C 37 27.400 28.157 -0.757 1 1 396 . 16 1 1 A 37 37 GLN N N 37 117.300 117.239 0.061 1 1 398 . 16 1 1 A 38 38 THR H H 38 7.790 7.705 0.085 1 1 399 . 16 1 1 A 38 38 THR HA H 38 3.590 3.761 -0.171 1 1 404 . 16 1 1 A 38 38 THR CA C 38 66.000 66.064 -0.064 1 1 405 . 16 1 1 A 38 38 THR CB C 38 67.900 68.196 -0.296 1 1 407 . 16 1 1 A 38 38 THR N N 38 119.500 117.701 1.799 1 1 408 . 16 1 1 A 39 39 PHE H H 39 8.150 7.789 0.361 1 1 409 . 16 1 1 A 39 39 PHE HA H 39 2.690 3.692 -1.002 1 1 417 . 16 1 1 A 39 39 PHE CA C 39 60.700 61.386 -0.686 1 1 418 . 16 1 1 A 39 39 PHE CB C 39 39.500 39.011 0.489 1 1 422 . 16 1 1 A 39 39 PHE N N 39 123.200 122.181 1.019 1 1 423 . 16 1 1 A 40 40 ASN H H 40 8.270 8.473 -0.203 1 1 424 . 16 1 1 A 40 40 ASN HA H 40 4.410 4.415 -0.005 1 1 429 . 16 1 1 A 40 40 ASN CA C 40 56.800 56.330 0.470 1 1 430 . 16 1 1 A 40 40 ASN CB C 40 38.700 38.879 -0.179 1 1 431 . 16 1 1 A 40 40 ASN N N 40 115.400 116.840 -1.440 1 1 433 . 16 1 1 A 41 41 THR H H 41 7.520 8.033 -0.513 1 1 434 . 16 1 1 A 41 41 THR HA H 41 4.010 4.007 0.003 1 1 439 . 16 1 1 A 41 41 THR CA C 41 66.000 65.583 0.417 1 1 440 . 16 1 1 A 41 41 THR CB C 41 69.100 68.238 0.862 1 1 442 . 16 1 1 A 41 41 THR N N 41 109.700 112.932 -3.232 1 1 443 . 16 1 1 A 42 42 TRP H H 42 7.190 7.046 0.144 1 1 444 . 16 1 1 A 42 42 TRP HA H 42 5.420 4.571 0.849 1 1 453 . 16 1 1 A 42 42 TRP CA C 42 56.300 59.757 -3.457 1 1 454 . 16 1 1 A 42 42 TRP CB C 42 28.400 29.205 -0.805 1 1 460 . 16 1 1 A 42 42 TRP N N 42 124.000 121.226 2.774 1 1 462 . 16 1 1 A 43 43 CYS H H 43 7.610 7.973 -0.363 1 1 463 . 16 1 1 A 43 43 CYS HA H 43 4.090 4.271 -0.181 1 1 466 . 16 1 1 A 43 43 CYS CA C 43 62.600 61.738 0.862 1 1 467 . 16 1 1 A 43 43 CYS CB C 43 27.600 26.889 0.711 1 1 468 . 16 1 1 A 43 43 CYS N N 43 117.200 119.443 -2.243 1 1 469 . 16 1 1 A 44 44 LYS H H 44 7.870 7.482 0.388 1 1 470 . 16 1 1 A 44 44 LYS HA H 44 4.410 4.399 0.011 1 1 479 . 16 1 1 A 44 44 LYS CA C 44 55.500 56.033 -0.533 1 1 480 . 16 1 1 A 44 44 LYS CB C 44 33.100 33.032 0.068 1 1 484 . 16 1 1 A 44 44 LYS N N 44 115.700 118.433 -2.733 1 1 485 . 16 1 1 A 45 45 GLY H H 45 7.800 7.991 -0.191 1 1 486 . 16 1 1 A 45 45 GLY HA2 H 45 3.980 4.017 -0.037 1 1 487 . 16 1 1 A 45 45 GLY HA3 H 45 4.200 4.060 0.140 1 1 488 . 16 1 1 A 45 45 GLY CA C 45 46.100 46.264 -0.164 1 1 489 . 16 1 1 A 45 45 GLY N N 45 107.200 107.687 -0.487 1 1 490 . 16 1 1 A 46 46 ILE H H 46 7.890 8.220 -0.330 1 1 491 . 16 1 1 A 46 46 ILE HA H 46 4.110 4.007 0.103 1 1 501 . 16 1 1 A 46 46 ILE CA C 46 61.600 63.291 -1.691 1 1 502 . 16 1 1 A 46 46 ILE CB C 46 39.100 37.886 1.214 1 1 506 . 16 1 1 A 46 46 ILE N N 46 115.700 118.420 -2.720 1 1 507 . 16 1 1 A 47 47 ALA H H 47 7.540 7.739 -0.199 1 1 508 . 16 1 1 A 47 47 ALA HA H 47 4.590 4.736 -0.146 1 1 512 . 16 1 1 A 47 47 ALA CA C 47 50.700 51.563 -0.863 1 1 513 . 16 1 1 A 47 47 ALA CB C 47 22.600 23.147 -0.547 1 1 514 . 16 1 1 A 47 47 ALA N N 47 121.600 118.951 2.649 1 1 515 . 16 1 1 A 48 48 ILE H H 48 8.260 8.736 -0.476 1 1 516 . 16 1 1 A 48 48 ILE HA H 48 4.080 4.384 -0.304 1 1 526 . 16 1 1 A 48 48 ILE CA C 48 56.600 56.716 -0.116 1 1 527 . 16 1 1 A 48 48 ILE CB C 48 40.800 40.338 0.462 1 1 531 . 16 1 1 A 48 48 ILE N N 48 118.900 120.341 -1.441 1 1 532 . 16 1 1 A 49 49 PRO HA H 49 4.230 4.457 -0.227 1 1 539 . 16 1 1 A 49 49 PRO CA C 49 61.300 61.864 -0.564 1 1 540 . 16 1 1 A 49 49 PRO CB C 49 31.900 31.761 0.139 1 1 543 . 16 1 1 A 50 50 ARG H H 50 8.130 8.660 -0.530 1 1 544 . 16 1 1 A 50 50 ARG HA H 50 4.170 4.430 -0.260 1 1 551 . 16 1 1 A 50 50 ARG CA C 50 55.600 55.214 0.386 1 1 552 . 16 1 1 A 50 50 ARG CB C 50 30.500 31.312 -0.812 1 1 555 . 16 1 1 A 50 50 ARG N N 50 115.900 120.913 -5.013 1 1 556 . 16 1 1 A 51 51 MET H H 51 8.680 8.669 0.011 1 1 557 . 16 1 1 A 51 51 MET HA H 51 4.120 4.128 -0.008 1 1 565 . 16 1 1 A 51 51 MET CA C 51 57.700 58.659 -0.959 1 1 566 . 16 1 1 A 51 51 MET CB C 51 31.200 32.260 -1.060 1 1 569 . 16 1 1 A 51 51 MET N N 51 120.000 122.706 -2.706 1 1 570 . 16 1 1 A 52 52 GLY HA2 H 52 4.000 3.929 0.071 1 1 571 . 16 1 1 A 52 52 GLY HA3 H 52 3.920 3.930 -0.010 1 1 572 . 16 1 1 A 52 52 GLY CA C 52 46.800 46.880 -0.080 1 1 573 . 16 1 1 A 53 53 LYS H H 53 7.520 7.970 -0.450 1 1 574 . 16 1 1 A 53 53 LYS HA H 53 4.450 4.353 0.097 1 1 583 . 16 1 1 A 53 53 LYS CA C 53 56.200 58.299 -2.099 1 1 584 . 16 1 1 A 53 53 LYS CB C 53 32.200 33.074 -0.874 1 1 588 . 16 1 1 A 53 53 LYS N N 53 119.900 121.781 -1.881 1 1 589 . 16 1 1 A 54 54 VAL H H 54 7.650 7.943 -0.293 1 1 590 . 16 1 1 A 54 54 VAL HA H 54 3.420 3.587 -0.167 1 1 598 . 16 1 1 A 54 54 VAL CA C 54 67.600 66.581 1.019 1 1 599 . 16 1 1 A 54 54 VAL CB C 54 30.600 31.297 -0.697 1 1 602 . 16 1 1 A 54 54 VAL N N 54 121.300 120.191 1.109 1 1 603 . 16 1 1 A 55 55 GLN H H 55 8.460 8.446 0.014 1 1 604 . 16 1 1 A 55 55 GLN HA H 55 3.790 3.955 -0.165 1 1 611 . 16 1 1 A 55 55 GLN CA C 55 58.000 58.613 -0.613 1 1 612 . 16 1 1 A 55 55 GLN CB C 55 28.200 28.655 -0.455 1 1 614 . 16 1 1 A 55 55 GLN N N 55 118.100 120.581 -2.481 1 1 616 . 16 1 1 A 56 56 ALA H H 56 7.550 7.959 -0.409 1 1 617 . 16 1 1 A 56 56 ALA HA H 56 4.310 4.173 0.137 1 1 621 . 16 1 1 A 56 56 ALA CA C 56 55.100 55.058 0.042 1 1 622 . 16 1 1 A 56 56 ALA CB C 56 18.100 18.232 -0.132 1 1 623 . 16 1 1 A 56 56 ALA N N 56 120.300 122.034 -1.734 1 1 624 . 16 1 1 A 57 57 LEU H H 57 8.170 8.107 0.063 1 1 625 . 16 1 1 A 57 57 LEU HA H 57 3.950 3.980 -0.030 1 1 635 . 16 1 1 A 57 57 LEU CA C 57 57.500 58.134 -0.634 1 1 636 . 16 1 1 A 57 57 LEU CB C 57 43.500 41.877 1.623 1 1 640 . 16 1 1 A 57 57 LEU N N 57 120.100 119.324 0.776 1 1 641 . 16 1 1 A 58 58 ALA H H 58 8.430 8.114 0.316 1 1 642 . 16 1 1 A 58 58 ALA HA H 58 3.820 4.193 -0.373 1 1 646 . 16 1 1 A 58 58 ALA CA C 58 54.600 54.937 -0.337 1 1 647 . 16 1 1 A 58 58 ALA CB C 58 16.400 18.175 -1.775 1 1 648 . 16 1 1 A 58 58 ALA N N 58 122.600 121.002 1.598 1 1 649 . 16 1 1 A 59 59 ASP H H 59 8.790 8.054 0.736 1 1 650 . 16 1 1 A 59 59 ASP HA H 59 4.440 4.389 0.051 1 1 653 . 16 1 1 A 59 59 ASP CA C 59 57.000 57.235 -0.235 1 1 654 . 16 1 1 A 59 59 ASP CB C 59 39.800 40.846 -1.046 1 1 655 . 16 1 1 A 59 59 ASP N N 59 117.900 119.349 -1.449 1 1 656 . 16 1 1 A 60 60 TYR H H 60 8.050 8.089 -0.039 1 1 657 . 16 1 1 A 60 60 TYR HA H 60 3.820 4.109 -0.289 1 1 664 . 16 1 1 A 60 60 TYR CA C 60 62.000 61.319 0.681 1 1 665 . 16 1 1 A 60 60 TYR CB C 60 38.200 38.036 0.164 1 1 668 . 16 1 1 A 60 60 TYR N N 60 122.300 120.849 1.451 1 1 669 . 16 1 1 A 61 61 PHE H H 61 7.860 7.301 0.559 1 1 670 . 16 1 1 A 61 61 PHE HA H 61 4.530 4.586 -0.056 1 1 678 . 16 1 1 A 61 61 PHE CA C 61 58.000 57.789 0.211 1 1 679 . 16 1 1 A 61 61 PHE CB C 61 39.800 39.228 0.572 1 1 683 . 16 1 1 A 61 61 PHE N N 61 114.100 115.052 -0.952 1 1 684 . 16 1 1 A 62 62 ASN H H 62 8.040 8.003 0.037 1 1 685 . 16 1 1 A 62 62 ASN HA H 62 4.420 4.400 0.020 1 1 690 . 16 1 1 A 62 62 ASN CA C 62 54.200 53.939 0.261 1 1 691 . 16 1 1 A 62 62 ASN CB C 62 36.800 37.066 -0.266 1 1 692 . 16 1 1 A 62 62 ASN N N 62 118.100 117.862 0.238 1 1 694 . 16 1 1 A 63 63 ILE H H 63 8.360 8.043 0.317 1 1 695 . 16 1 1 A 63 63 ILE HA H 63 4.710 4.882 -0.172 1 1 705 . 16 1 1 A 63 63 ILE CA C 63 59.600 58.318 1.282 1 1 706 . 16 1 1 A 63 63 ILE CB C 63 39.700 42.057 -2.357 1 1 710 . 16 1 1 A 63 63 ILE N N 63 112.700 114.820 -2.120 1 1 711 . 16 1 1 A 64 64 ASN H H 64 8.860 8.384 0.476 1 1 712 . 16 1 1 A 64 64 ASN HA H 64 4.990 4.960 0.030 1 1 717 . 16 1 1 A 64 64 ASN CA C 64 52.100 52.586 -0.486 1 1 718 . 16 1 1 A 64 64 ASN CB C 64 40.600 39.476 1.124 1 1 719 . 16 1 1 A 64 64 ASN N N 64 117.400 120.124 -2.724 1 1 721 . 16 1 1 A 65 65 LYS H H 65 9.250 8.978 0.272 1 1 722 . 16 1 1 A 65 65 LYS HA H 65 3.720 3.973 -0.253 1 1 731 . 16 1 1 A 65 65 LYS CA C 65 60.900 59.256 1.644 1 1 732 . 16 1 1 A 65 65 LYS CB C 65 31.200 32.010 -0.810 1 1 736 . 16 1 1 A 65 65 LYS N N 65 123.200 123.726 -0.526 1 1 737 . 16 1 1 A 66 66 SER H H 66 8.700 8.385 0.315 1 1 738 . 16 1 1 A 66 66 SER HA H 66 4.050 4.318 -0.268 1 1 741 . 16 1 1 A 66 66 SER CA C 66 61.200 60.924 0.276 1 1 742 . 16 1 1 A 66 66 SER CB C 66 62.200 62.585 -0.385 1 1 743 . 16 1 1 A 66 66 SER N N 66 114.300 114.790 -0.490 1 1 744 . 16 1 1 A 67 67 ASP H H 67 7.510 8.003 -0.493 1 1 745 . 16 1 1 A 67 67 ASP HA H 67 4.500 4.496 0.004 1 1 748 . 16 1 1 A 67 67 ASP CA C 67 56.700 57.060 -0.360 1 1 749 . 16 1 1 A 67 67 ASP CB C 67 41.000 40.354 0.646 1 1 750 . 16 1 1 A 67 67 ASP N N 67 119.800 122.069 -2.269 1 1 751 . 16 1 1 A 68 68 LEU H H 68 7.440 7.503 -0.063 1 1 752 . 16 1 1 A 68 68 LEU HA H 68 4.500 4.225 0.275 1 1 762 . 16 1 1 A 68 68 LEU CA C 68 55.700 55.739 -0.039 1 1 763 . 16 1 1 A 68 68 LEU CB C 68 43.500 42.382 1.118 1 1 767 . 16 1 1 A 68 68 LEU N N 68 113.800 118.143 -4.343 1 1 768 . 16 1 1 A 69 69 ILE H H 69 7.500 7.184 0.316 1 1 769 . 16 1 1 A 69 69 ILE HA H 69 4.390 4.389 0.001 1 1 779 . 16 1 1 A 69 69 ILE CA C 69 61.700 63.255 -1.555 1 1 780 . 16 1 1 A 69 69 ILE CB C 69 39.600 39.401 0.199 1 1 784 . 16 1 1 A 69 69 ILE N N 69 112.800 116.946 -4.146 1 1 785 . 16 1 1 A 70 70 GLU H H 70 7.680 8.161 -0.481 1 1 786 . 16 1 1 A 70 70 GLU HA H 70 4.500 4.597 -0.097 1 1 791 . 16 1 1 A 70 70 GLU CA C 70 55.200 55.247 -0.047 1 1 792 . 16 1 1 A 70 70 GLU CB C 70 30.800 30.500 0.300 1 1 794 . 16 1 1 A 70 70 GLU N N 70 118.300 118.937 -0.637 1 1 795 . 16 1 1 A 71 71 ASP H H 71 8.660 8.369 0.291 1 1 796 . 16 1 1 A 71 71 ASP HA H 71 4.640 4.452 0.188 1 1 799 . 16 1 1 A 71 71 ASP CA C 71 53.400 54.812 -1.412 1 1 800 . 16 1 1 A 71 71 ASP CB C 71 40.800 42.249 -1.449 1 1 801 . 16 1 1 A 71 71 ASP N N 71 121.100 122.248 -1.148 1 1 802 . 16 1 1 A 72 72 LYS H H 72 8.980 8.710 0.270 1 1 803 . 16 1 1 A 72 72 LYS HA H 72 4.270 4.141 0.129 1 1 812 . 16 1 1 A 72 72 LYS CA C 72 56.400 58.305 -1.905 1 1 813 . 16 1 1 A 72 72 LYS CB C 72 32.400 31.573 0.827 1 1 817 . 16 1 1 A 72 72 LYS N N 72 126.200 123.206 2.994 1 1 818 . 16 1 1 A 73 73 LYS H H 73 8.460 8.033 0.427 1 1 819 . 16 1 1 A 73 73 LYS HA H 73 4.180 4.306 -0.126 1 1 828 . 16 1 1 A 73 73 LYS CA C 73 56.500 57.382 -0.882 1 1 829 . 16 1 1 A 73 73 LYS CB C 73 31.600 31.889 -0.289 1 1 833 . 16 1 1 A 73 73 LYS N N 73 120.300 117.668 2.632 1 1 834 . 16 1 1 A 74 74 LEU H H 74 7.910 7.256 0.654 1 1 835 . 16 1 1 A 74 74 LEU HA H 74 4.260 4.385 -0.125 1 1 845 . 16 1 1 A 74 74 LEU CA C 74 55.000 54.510 0.490 1 1 846 . 16 1 1 A 74 74 LEU CB C 74 42.200 40.337 1.863 1 1 850 . 16 1 1 A 74 74 LEU N N 74 120.900 123.141 -2.241 1 1 851 . 16 1 1 A 75 75 ASN H H 75 8.320 8.349 -0.029 1 1 852 . 16 1 1 A 75 75 ASN HA H 75 4.710 4.939 -0.229 1 1 857 . 16 1 1 A 75 75 ASN CA C 75 53.000 51.985 1.015 1 1 858 . 16 1 1 A 75 75 ASN CB C 75 38.700 39.317 -0.617 1 1 859 . 16 1 1 A 75 75 ASN N N 75 119.300 121.783 -2.483 1 1 861 . 16 1 1 A 76 76 ILE H H 76 8.010 8.537 -0.527 1 1 862 . 16 1 1 A 76 76 ILE HA H 76 4.180 4.307 -0.127 1 1 872 . 16 1 1 A 76 76 ILE CA C 76 61.000 60.780 0.220 1 1 873 . 16 1 1 A 76 76 ILE CB C 76 38.700 37.962 0.738 1 1 877 . 16 1 1 A 76 76 ILE N N 76 120.200 120.819 -0.619 1 1 878 . 16 1 1 A 77 77 ASP H H 77 8.390 8.890 -0.500 1 1 879 . 16 1 1 A 77 77 ASP HA H 77 4.660 5.046 -0.386 1 1 882 . 16 1 1 A 77 77 ASP CA C 77 54.200 53.106 1.094 1 1 883 . 16 1 1 A 77 77 ASP CB C 77 41.100 41.347 -0.247 1 1 884 . 16 1 1 A 77 77 ASP N N 77 123.500 129.268 -5.768 1 1 885 . 16 1 1 A 78 78 THR H H 78 8.010 8.351 -0.341 1 1 886 . 16 1 1 A 78 78 THR HA H 78 4.310 4.796 -0.486 1 1 891 . 16 1 1 A 78 78 THR CA C 78 61.600 60.900 0.700 1 1 892 . 16 1 1 A 78 78 THR CB C 78 69.700 70.485 -0.785 1 1 894 . 16 1 1 A 78 78 THR N N 78 114.200 118.291 -4.091 1 1 895 . 16 1 1 A 79 79 VAL H H 79 8.090 8.678 -0.588 1 1 896 . 16 1 1 A 79 79 VAL HA H 79 4.390 4.675 -0.285 1 1 904 . 16 1 1 A 79 79 VAL CA C 79 59.900 59.228 0.672 1 1 905 . 16 1 1 A 79 79 VAL CB C 79 32.400 32.903 -0.503 1 1 908 . 16 1 1 A 79 79 VAL N N 79 124.000 126.267 -2.267 1 1 909 . 16 1 1 A 80 80 PRO HA H 80 4.420 4.425 -0.005 1 1 916 . 16 1 1 A 80 80 PRO CA C 80 62.900 63.132 -0.232 1 1 917 . 16 1 1 A 80 80 PRO CB C 80 31.900 31.611 0.289 1 1 920 . 16 1 1 A 81 81 ILE H H 81 8.210 8.191 0.019 1 1 921 . 16 1 1 A 81 81 ILE HA H 81 4.110 4.126 -0.016 1 1 931 . 16 1 1 A 81 81 ILE CA C 81 61.200 61.131 0.069 1 1 932 . 16 1 1 A 81 81 ILE CB C 81 38.600 37.864 0.736 1 1 936 . 16 1 1 A 81 81 ILE N N 81 121.300 124.041 -2.741 1 1 937 . 16 1 1 A 82 82 GLU H H 82 8.510 8.495 0.015 1 1 938 . 16 1 1 A 82 82 GLU HA H 82 4.300 4.523 -0.223 1 1 943 . 16 1 1 A 82 82 GLU CA C 82 56.300 56.472 -0.172 1 1 944 . 16 1 1 A 82 82 GLU CB C 82 30.000 30.242 -0.242 1 1 946 . 16 1 1 A 82 82 GLU N N 82 124.600 128.427 -3.827 1 1 947 . 16 1 1 A 83 83 SER H H 83 8.330 8.690 -0.360 1 1 948 . 16 1 1 A 83 83 SER HA H 83 4.400 4.600 -0.200 1 1 951 . 16 1 1 A 83 83 SER CA C 83 58.500 58.010 0.490 1 1 952 . 16 1 1 A 83 83 SER CB C 83 63.600 65.092 -1.492 1 1 953 . 16 1 1 A 83 83 SER N N 83 116.900 123.564 -6.664 1 1 954 . 16 1 1 A 84 84 GLY H H 84 8.400 8.564 -0.164 1 1 955 . 16 1 1 A 84 84 GLY HA2 H 84 3.900 4.041 -0.141 1 1 956 . 16 1 1 A 84 84 GLY HA3 H 84 3.900 4.066 -0.166 1 1 957 . 16 1 1 A 84 84 GLY CA C 84 45.300 45.715 -0.415 1 1 958 . 16 1 1 A 84 84 GLY N N 84 110.400 109.715 0.685 1 1 959 . 16 1 1 A 85 85 TYR H H 85 8.000 8.834 -0.834 1 1 960 . 16 1 1 A 85 85 TYR HA H 85 4.600 4.613 -0.013 1 1 967 . 16 1 1 A 85 85 TYR CA C 85 57.900 59.194 -1.294 1 1 968 . 16 1 1 A 85 85 TYR CB C 85 38.700 39.450 -0.750 1 1 971 . 16 1 1 A 85 85 TYR N N 85 120.000 126.103 -6.103 1 1 972 . 16 1 1 A 86 86 THR H H 86 8.070 8.262 -0.192 1 1 973 . 16 1 1 A 86 86 THR HA H 86 4.280 4.095 0.185 1 1 978 . 16 1 1 A 86 86 THR CA C 86 61.600 62.057 -0.457 1 1 979 . 16 1 1 A 86 86 THR CB C 86 69.700 69.453 0.247 1 1 1 . 17 1 1 A 4 4 ASP H H 4 8.270 8.814 -0.544 1 1 2 . 17 1 1 A 4 4 ASP HA H 4 4.550 4.685 -0.135 1 1 5 . 17 1 1 A 4 4 ASP CA C 4 54.700 54.594 0.106 1 1 6 . 17 1 1 A 4 4 ASP CB C 4 41.400 40.851 0.549 1 1 7 . 17 1 1 A 4 4 ASP N N 4 121.200 122.001 -0.801 1 1 8 . 17 1 1 A 5 5 LYS HA H 5 4.160 4.036 0.124 1 1 13 . 17 1 1 A 5 5 LYS CA C 5 58.300 58.751 -0.451 1 1 14 . 17 1 1 A 5 5 LYS CB C 5 32.400 32.020 0.380 1 1 16 . 17 1 1 A 6 6 GLN H H 6 8.170 8.048 0.122 1 1 17 . 17 1 1 A 6 6 GLN HA H 6 4.090 4.011 0.079 1 1 24 . 17 1 1 A 6 6 GLN CA C 6 59.000 58.906 0.094 1 1 25 . 17 1 1 A 6 6 GLN CB C 6 28.500 28.456 0.044 1 1 27 . 17 1 1 A 6 6 GLN N N 6 117.400 119.670 -2.270 1 1 29 . 17 1 1 A 7 7 LYS H H 7 7.970 7.824 0.146 1 1 30 . 17 1 1 A 7 7 LYS HA H 7 4.030 4.095 -0.065 1 1 39 . 17 1 1 A 7 7 LYS CA C 7 59.500 59.493 0.007 1 1 40 . 17 1 1 A 7 7 LYS CB C 7 32.500 32.303 0.197 1 1 44 . 17 1 1 A 7 7 LYS N N 7 119.400 119.616 -0.216 1 1 45 . 17 1 1 A 8 8 ALA H H 8 7.980 7.426 0.554 1 1 46 . 17 1 1 A 8 8 ALA HA H 8 4.110 4.103 0.007 1 1 50 . 17 1 1 A 8 8 ALA CA C 8 55.000 54.924 0.076 1 1 51 . 17 1 1 A 8 8 ALA CB C 8 18.100 18.278 -0.178 1 1 52 . 17 1 1 A 8 8 ALA N N 8 123.300 122.082 1.218 1 1 53 . 17 1 1 A 9 9 ILE H H 9 8.070 7.987 0.083 1 1 54 . 17 1 1 A 9 9 ILE HA H 9 3.760 3.710 0.050 1 1 64 . 17 1 1 A 9 9 ILE CA C 9 63.800 65.292 -1.492 1 1 65 . 17 1 1 A 9 9 ILE CB C 9 38.900 37.533 1.367 1 1 69 . 17 1 1 A 9 9 ILE N N 9 119.200 119.975 -0.775 1 1 70 . 17 1 1 A 10 10 PHE H H 10 8.020 8.514 -0.494 1 1 71 . 17 1 1 A 10 10 PHE HA H 10 4.720 4.095 0.625 1 1 79 . 17 1 1 A 10 10 PHE CA C 10 60.400 62.033 -1.633 1 1 80 . 17 1 1 A 10 10 PHE CB C 10 39.400 39.056 0.344 1 1 84 . 17 1 1 A 10 10 PHE N N 10 118.900 121.137 -2.237 1 1 85 . 17 1 1 A 11 11 SER H H 11 8.420 8.453 -0.033 1 1 86 . 17 1 1 A 11 11 SER HA H 11 3.890 4.057 -0.167 1 1 89 . 17 1 1 A 11 11 SER CA C 11 62.000 61.632 0.368 1 1 90 . 17 1 1 A 11 11 SER CB C 11 62.800 62.667 0.133 1 1 91 . 17 1 1 A 11 11 SER N N 11 112.700 113.841 -1.141 1 1 92 . 17 1 1 A 12 12 GLU H H 12 8.050 8.200 -0.150 1 1 93 . 17 1 1 A 12 12 GLU HA H 12 4.130 4.036 0.094 1 1 98 . 17 1 1 A 12 12 GLU CA C 12 59.400 59.043 0.357 1 1 99 . 17 1 1 A 12 12 GLU CB C 12 29.100 29.288 -0.188 1 1 101 . 17 1 1 A 12 12 GLU N N 12 123.000 122.285 0.715 1 1 102 . 17 1 1 A 13 13 ASN H H 13 8.390 8.263 0.127 1 1 103 . 17 1 1 A 13 13 ASN HA H 13 4.470 4.300 0.170 1 1 108 . 17 1 1 A 13 13 ASN CA C 13 55.700 56.691 -0.991 1 1 109 . 17 1 1 A 13 13 ASN CB C 13 37.900 39.161 -1.261 1 1 110 . 17 1 1 A 13 13 ASN N N 13 119.100 118.662 0.438 1 1 112 . 17 1 1 A 14 14 LEU H H 14 9.170 7.943 1.227 1 1 113 . 17 1 1 A 14 14 LEU HA H 14 3.860 4.085 -0.225 1 1 123 . 17 1 1 A 14 14 LEU CA C 14 58.800 57.932 0.868 1 1 124 . 17 1 1 A 14 14 LEU CB C 14 41.100 41.263 -0.163 1 1 128 . 17 1 1 A 14 14 LEU N N 14 122.200 120.410 1.790 1 1 129 . 17 1 1 A 15 15 ASN H H 15 8.700 8.674 0.026 1 1 130 . 17 1 1 A 15 15 ASN HA H 15 4.520 4.485 0.035 1 1 135 . 17 1 1 A 15 15 ASN CA C 15 56.600 56.694 -0.094 1 1 136 . 17 1 1 A 15 15 ASN CB C 15 37.900 39.699 -1.799 1 1 137 . 17 1 1 A 15 15 ASN N N 15 115.400 117.839 -2.439 1 1 139 . 17 1 1 A 16 16 SER H H 16 7.860 7.930 -0.070 1 1 140 . 17 1 1 A 16 16 SER HA H 16 4.250 4.117 0.133 1 1 143 . 17 1 1 A 16 16 SER CA C 16 61.400 61.987 -0.587 1 1 144 . 17 1 1 A 16 16 SER CB C 16 62.100 63.287 -1.187 1 1 145 . 17 1 1 A 16 16 SER N N 16 117.600 116.597 1.003 1 1 146 . 17 1 1 A 17 17 TYR H H 17 7.740 7.459 0.281 1 1 147 . 17 1 1 A 17 17 TYR HA H 17 3.900 4.156 -0.256 1 1 154 . 17 1 1 A 17 17 TYR CA C 17 63.500 61.204 2.296 1 1 155 . 17 1 1 A 17 17 TYR CB C 17 35.600 37.399 -1.799 1 1 158 . 17 1 1 A 17 17 TYR N N 17 120.700 119.778 0.922 1 1 159 . 17 1 1 A 18 18 ILE H H 18 8.660 8.229 0.431 1 1 160 . 17 1 1 A 18 18 ILE HA H 18 3.710 4.071 -0.361 1 1 170 . 17 1 1 A 18 18 ILE CA C 18 66.400 65.655 0.745 1 1 171 . 17 1 1 A 18 18 ILE CB C 18 38.300 37.994 0.306 1 1 175 . 17 1 1 A 18 18 ILE N N 18 121.800 120.461 1.339 1 1 176 . 17 1 1 A 19 19 ALA H H 19 8.010 7.904 0.106 1 1 177 . 17 1 1 A 19 19 ALA HA H 19 4.220 4.110 0.110 1 1 181 . 17 1 1 A 19 19 ALA CA C 19 55.000 54.864 0.136 1 1 182 . 17 1 1 A 19 19 ALA CB C 19 17.800 18.280 -0.480 1 1 183 . 17 1 1 A 19 19 ALA N N 19 121.900 122.368 -0.468 1 1 184 . 17 1 1 A 20 20 LYS H H 20 7.650 7.595 0.055 1 1 185 . 17 1 1 A 20 20 LYS HA H 20 4.200 4.300 -0.100 1 1 194 . 17 1 1 A 20 20 LYS CA C 20 57.900 56.661 1.239 1 1 195 . 17 1 1 A 20 20 LYS CB C 20 33.000 32.242 0.758 1 1 199 . 17 1 1 A 20 20 LYS N N 20 116.500 116.694 -0.194 1 1 200 . 17 1 1 A 21 21 SER H H 21 8.000 7.586 0.414 1 1 201 . 17 1 1 A 21 21 SER HA H 21 4.460 4.629 -0.169 1 1 204 . 17 1 1 A 21 21 SER CA C 21 60.100 58.270 1.830 1 1 205 . 17 1 1 A 21 21 SER CB C 21 64.700 63.569 1.131 1 1 206 . 17 1 1 A 21 21 SER N N 21 114.400 112.097 2.303 1 1 207 . 17 1 1 A 22 22 GLU H H 22 7.970 8.026 -0.056 1 1 208 . 17 1 1 A 22 22 GLU HA H 22 4.140 3.869 0.271 1 1 213 . 17 1 1 A 22 22 GLU CA C 22 57.900 57.514 0.386 1 1 214 . 17 1 1 A 22 22 GLU CB C 22 27.700 27.163 0.537 1 1 216 . 17 1 1 A 22 22 GLU N N 22 116.000 118.622 -2.622 1 1 217 . 17 1 1 A 23 23 LYS H H 23 8.070 7.271 0.799 1 1 218 . 17 1 1 A 23 23 LYS HA H 23 4.730 4.950 -0.220 1 1 227 . 17 1 1 A 23 23 LYS CA C 23 53.800 55.042 -1.242 1 1 228 . 17 1 1 A 23 23 LYS CB C 23 34.300 35.740 -1.440 1 1 232 . 17 1 1 A 23 23 LYS N N 23 119.500 118.829 0.671 1 1 233 . 17 1 1 A 24 24 THR H H 24 8.690 8.711 -0.021 1 1 234 . 17 1 1 A 24 24 THR HA H 24 4.460 4.742 -0.282 1 1 239 . 17 1 1 A 24 24 THR CA C 24 60.200 60.555 -0.355 1 1 240 . 17 1 1 A 24 24 THR CB C 24 71.200 71.435 -0.235 1 1 242 . 17 1 1 A 24 24 THR N N 24 109.900 115.415 -5.515 1 1 243 . 17 1 1 A 25 25 GLN H H 25 8.840 8.959 -0.119 1 1 244 . 17 1 1 A 25 25 GLN HA H 25 3.640 3.727 -0.087 1 1 251 . 17 1 1 A 25 25 GLN CA C 25 59.900 58.952 0.948 1 1 252 . 17 1 1 A 25 25 GLN CB C 25 28.300 28.382 -0.082 1 1 254 . 17 1 1 A 25 25 GLN N N 25 118.500 121.045 -2.545 1 1 256 . 17 1 1 A 26 26 LEU H H 26 7.690 8.261 -0.571 1 1 257 . 17 1 1 A 26 26 LEU HA H 26 3.790 3.796 -0.006 1 1 267 . 17 1 1 A 26 26 LEU CA C 26 57.900 57.741 0.159 1 1 268 . 17 1 1 A 26 26 LEU CB C 26 41.800 41.298 0.502 1 1 272 . 17 1 1 A 26 26 LEU N N 26 116.000 120.155 -4.155 1 1 273 . 17 1 1 A 27 27 GLU H H 27 7.540 7.944 -0.404 1 1 274 . 17 1 1 A 27 27 GLU HA H 27 3.880 4.014 -0.134 1 1 279 . 17 1 1 A 27 27 GLU CA C 27 58.800 59.205 -0.405 1 1 280 . 17 1 1 A 27 27 GLU CB C 27 29.500 29.362 0.138 1 1 282 . 17 1 1 A 27 27 GLU N N 27 118.200 116.861 1.339 1 1 283 . 17 1 1 A 28 28 ILE H H 28 7.710 7.632 0.078 1 1 284 . 17 1 1 A 28 28 ILE HA H 28 2.970 3.721 -0.751 1 1 294 . 17 1 1 A 28 28 ILE CA C 28 65.100 65.185 -0.085 1 1 295 . 17 1 1 A 28 28 ILE CB C 28 37.400 37.968 -0.568 1 1 299 . 17 1 1 A 28 28 ILE N N 28 121.400 121.703 -0.303 1 1 300 . 17 1 1 A 29 29 ALA H H 29 7.690 8.130 -0.440 1 1 301 . 17 1 1 A 29 29 ALA HA H 29 3.230 3.914 -0.684 1 1 305 . 17 1 1 A 29 29 ALA CA C 29 55.300 54.854 0.446 1 1 306 . 17 1 1 A 29 29 ALA CB C 29 16.300 18.178 -1.878 1 1 307 . 17 1 1 A 29 29 ALA N N 29 120.500 121.724 -1.224 1 1 308 . 17 1 1 A 30 30 LYS H H 30 7.580 8.106 -0.526 1 1 309 . 17 1 1 A 30 30 LYS HA H 30 4.050 3.889 0.161 1 1 318 . 17 1 1 A 30 30 LYS CA C 30 58.800 59.356 -0.556 1 1 319 . 17 1 1 A 30 30 LYS CB C 30 32.000 32.179 -0.179 1 1 323 . 17 1 1 A 30 30 LYS N N 30 114.800 119.714 -4.914 1 1 324 . 17 1 1 A 31 31 SER H H 31 7.680 7.258 0.422 1 1 325 . 17 1 1 A 31 31 SER HA H 31 4.220 4.095 0.125 1 1 328 . 17 1 1 A 31 31 SER CA C 31 62.300 60.868 1.432 1 1 329 . 17 1 1 A 31 31 SER CB C 31 63.300 62.333 0.967 1 1 330 . 17 1 1 A 31 31 SER N N 31 115.800 113.602 2.198 1 1 331 . 17 1 1 A 32 32 ILE H H 32 7.800 7.164 0.636 1 1 332 . 17 1 1 A 32 32 ILE HA H 32 4.400 3.891 0.509 1 1 342 . 17 1 1 A 32 32 ILE CA C 32 60.300 62.964 -2.664 1 1 343 . 17 1 1 A 32 32 ILE CB C 32 37.500 38.614 -1.114 1 1 347 . 17 1 1 A 32 32 ILE N N 32 113.800 118.042 -4.242 1 1 348 . 17 1 1 A 33 33 GLY H H 33 7.880 8.535 -0.655 1 1 349 . 17 1 1 A 33 33 GLY HA2 H 33 3.890 3.982 -0.092 1 1 350 . 17 1 1 A 33 33 GLY HA3 H 33 4.040 3.998 0.042 1 1 351 . 17 1 1 A 33 33 GLY CA C 33 46.800 45.926 0.874 1 1 352 . 17 1 1 A 33 33 GLY N N 33 110.500 108.619 1.881 1 1 353 . 17 1 1 A 34 34 VAL H H 34 7.910 7.399 0.511 1 1 354 . 17 1 1 A 34 34 VAL HA H 34 4.720 4.879 -0.159 1 1 362 . 17 1 1 A 34 34 VAL CA C 34 58.700 59.269 -0.569 1 1 363 . 17 1 1 A 34 34 VAL CB C 34 35.500 35.555 -0.055 1 1 366 . 17 1 1 A 34 34 VAL N N 34 113.500 115.301 -1.801 1 1 367 . 17 1 1 A 35 35 SER H H 35 8.650 8.620 0.030 1 1 368 . 17 1 1 A 35 35 SER HA H 35 4.580 4.622 -0.042 1 1 371 . 17 1 1 A 35 35 SER CA C 35 55.900 57.123 -1.223 1 1 372 . 17 1 1 A 35 35 SER CB C 35 62.800 62.719 0.081 1 1 373 . 17 1 1 A 35 35 SER N N 35 118.400 118.788 -0.388 1 1 374 . 17 1 1 A 36 36 PRO HA H 36 3.950 4.278 -0.328 1 1 381 . 17 1 1 A 36 36 PRO CA C 36 65.100 65.369 -0.269 1 1 382 . 17 1 1 A 36 36 PRO CB C 36 31.500 31.997 -0.497 1 1 385 . 17 1 1 A 37 37 GLN H H 37 8.300 8.313 -0.013 1 1 386 . 17 1 1 A 37 37 GLN HA H 37 4.030 4.035 -0.005 1 1 393 . 17 1 1 A 37 37 GLN CA C 37 59.400 58.551 0.849 1 1 394 . 17 1 1 A 37 37 GLN CB C 37 27.400 28.142 -0.742 1 1 396 . 17 1 1 A 37 37 GLN N N 37 117.300 117.186 0.114 1 1 398 . 17 1 1 A 38 38 THR H H 38 7.790 7.431 0.359 1 1 399 . 17 1 1 A 38 38 THR HA H 38 3.590 3.783 -0.193 1 1 404 . 17 1 1 A 38 38 THR CA C 38 66.000 65.613 0.387 1 1 405 . 17 1 1 A 38 38 THR CB C 38 67.900 68.429 -0.529 1 1 407 . 17 1 1 A 38 38 THR N N 38 119.500 116.848 2.652 1 1 408 . 17 1 1 A 39 39 PHE H H 39 8.150 7.766 0.384 1 1 409 . 17 1 1 A 39 39 PHE HA H 39 2.690 3.490 -0.800 1 1 417 . 17 1 1 A 39 39 PHE CA C 39 60.700 60.906 -0.206 1 1 418 . 17 1 1 A 39 39 PHE CB C 39 39.500 39.097 0.403 1 1 422 . 17 1 1 A 39 39 PHE N N 39 123.200 122.186 1.014 1 1 423 . 17 1 1 A 40 40 ASN H H 40 8.270 8.342 -0.072 1 1 424 . 17 1 1 A 40 40 ASN HA H 40 4.410 4.482 -0.072 1 1 429 . 17 1 1 A 40 40 ASN CA C 40 56.800 56.457 0.343 1 1 430 . 17 1 1 A 40 40 ASN CB C 40 38.700 39.027 -0.327 1 1 431 . 17 1 1 A 40 40 ASN N N 40 115.400 116.924 -1.524 1 1 433 . 17 1 1 A 41 41 THR H H 41 7.520 7.447 0.073 1 1 434 . 17 1 1 A 41 41 THR HA H 41 4.010 3.992 0.018 1 1 439 . 17 1 1 A 41 41 THR CA C 41 66.000 65.555 0.445 1 1 440 . 17 1 1 A 41 41 THR CB C 41 69.100 68.175 0.925 1 1 442 . 17 1 1 A 41 41 THR N N 41 109.700 113.420 -3.720 1 1 443 . 17 1 1 A 42 42 TRP H H 42 7.190 7.065 0.125 1 1 444 . 17 1 1 A 42 42 TRP HA H 42 5.420 4.650 0.770 1 1 453 . 17 1 1 A 42 42 TRP CA C 42 56.300 59.612 -3.312 1 1 454 . 17 1 1 A 42 42 TRP CB C 42 28.400 29.299 -0.899 1 1 460 . 17 1 1 A 42 42 TRP N N 42 124.000 121.320 2.680 1 1 462 . 17 1 1 A 43 43 CYS H H 43 7.610 8.075 -0.465 1 1 463 . 17 1 1 A 43 43 CYS HA H 43 4.090 4.272 -0.182 1 1 466 . 17 1 1 A 43 43 CYS CA C 43 62.600 62.319 0.281 1 1 467 . 17 1 1 A 43 43 CYS CB C 43 27.600 27.345 0.255 1 1 468 . 17 1 1 A 43 43 CYS N N 43 117.200 119.584 -2.384 1 1 469 . 17 1 1 A 44 44 LYS H H 44 7.870 8.013 -0.143 1 1 470 . 17 1 1 A 44 44 LYS HA H 44 4.410 4.438 -0.028 1 1 479 . 17 1 1 A 44 44 LYS CA C 44 55.500 56.514 -1.014 1 1 480 . 17 1 1 A 44 44 LYS CB C 44 33.100 33.086 0.014 1 1 484 . 17 1 1 A 44 44 LYS N N 44 115.700 120.000 -4.300 1 1 485 . 17 1 1 A 45 45 GLY H H 45 7.800 7.935 -0.135 1 1 486 . 17 1 1 A 45 45 GLY HA2 H 45 3.980 4.007 -0.027 1 1 487 . 17 1 1 A 45 45 GLY HA3 H 45 4.200 4.046 0.154 1 1 488 . 17 1 1 A 45 45 GLY CA C 45 46.100 46.516 -0.416 1 1 489 . 17 1 1 A 45 45 GLY N N 45 107.200 107.873 -0.673 1 1 490 . 17 1 1 A 46 46 ILE H H 46 7.890 8.246 -0.356 1 1 491 . 17 1 1 A 46 46 ILE HA H 46 4.110 4.106 0.004 1 1 501 . 17 1 1 A 46 46 ILE CA C 46 61.600 62.774 -1.174 1 1 502 . 17 1 1 A 46 46 ILE CB C 46 39.100 38.284 0.816 1 1 506 . 17 1 1 A 46 46 ILE N N 46 115.700 117.686 -1.986 1 1 507 . 17 1 1 A 47 47 ALA H H 47 7.540 7.266 0.274 1 1 508 . 17 1 1 A 47 47 ALA HA H 47 4.590 4.740 -0.150 1 1 512 . 17 1 1 A 47 47 ALA CA C 47 50.700 51.697 -0.997 1 1 513 . 17 1 1 A 47 47 ALA CB C 47 22.600 23.026 -0.426 1 1 514 . 17 1 1 A 47 47 ALA N N 47 121.600 118.955 2.645 1 1 515 . 17 1 1 A 48 48 ILE H H 48 8.260 8.741 -0.481 1 1 516 . 17 1 1 A 48 48 ILE HA H 48 4.080 4.456 -0.376 1 1 526 . 17 1 1 A 48 48 ILE CA C 48 56.600 56.966 -0.366 1 1 527 . 17 1 1 A 48 48 ILE CB C 48 40.800 40.150 0.650 1 1 531 . 17 1 1 A 48 48 ILE N N 48 118.900 119.875 -0.975 1 1 532 . 17 1 1 A 49 49 PRO HA H 49 4.230 4.522 -0.292 1 1 539 . 17 1 1 A 49 49 PRO CA C 49 61.300 61.844 -0.544 1 1 540 . 17 1 1 A 49 49 PRO CB C 49 31.900 31.884 0.016 1 1 543 . 17 1 1 A 50 50 ARG H H 50 8.130 8.361 -0.231 1 1 544 . 17 1 1 A 50 50 ARG HA H 50 4.170 4.200 -0.030 1 1 551 . 17 1 1 A 50 50 ARG CA C 50 55.600 55.993 -0.393 1 1 552 . 17 1 1 A 50 50 ARG CB C 50 30.500 31.616 -1.116 1 1 555 . 17 1 1 A 50 50 ARG N N 50 115.900 122.119 -6.219 1 1 556 . 17 1 1 A 51 51 MET H H 51 8.680 8.759 -0.079 1 1 557 . 17 1 1 A 51 51 MET HA H 51 4.120 4.062 0.058 1 1 565 . 17 1 1 A 51 51 MET CA C 51 57.700 58.587 -0.887 1 1 566 . 17 1 1 A 51 51 MET CB C 51 31.200 32.671 -1.471 1 1 569 . 17 1 1 A 51 51 MET N N 51 120.000 125.163 -5.163 1 1 570 . 17 1 1 A 52 52 GLY HA2 H 52 4.000 3.832 0.168 1 1 571 . 17 1 1 A 52 52 GLY HA3 H 52 3.920 3.833 0.087 1 1 572 . 17 1 1 A 52 52 GLY CA C 52 46.800 47.238 -0.438 1 1 573 . 17 1 1 A 53 53 LYS H H 53 7.520 7.672 -0.152 1 1 574 . 17 1 1 A 53 53 LYS HA H 53 4.450 4.038 0.412 1 1 583 . 17 1 1 A 53 53 LYS CA C 53 56.200 59.356 -3.156 1 1 584 . 17 1 1 A 53 53 LYS CB C 53 32.200 31.951 0.249 1 1 588 . 17 1 1 A 53 53 LYS N N 53 119.900 122.475 -2.575 1 1 589 . 17 1 1 A 54 54 VAL H H 54 7.650 8.029 -0.379 1 1 590 . 17 1 1 A 54 54 VAL HA H 54 3.420 3.491 -0.071 1 1 598 . 17 1 1 A 54 54 VAL CA C 54 67.600 66.707 0.893 1 1 599 . 17 1 1 A 54 54 VAL CB C 54 30.600 31.279 -0.679 1 1 602 . 17 1 1 A 54 54 VAL N N 54 121.300 120.195 1.105 1 1 603 . 17 1 1 A 55 55 GLN H H 55 8.460 8.365 0.095 1 1 604 . 17 1 1 A 55 55 GLN HA H 55 3.790 4.021 -0.231 1 1 611 . 17 1 1 A 55 55 GLN CA C 55 58.000 59.633 -1.633 1 1 612 . 17 1 1 A 55 55 GLN CB C 55 28.200 28.139 0.061 1 1 614 . 17 1 1 A 55 55 GLN N N 55 118.100 118.907 -0.807 1 1 616 . 17 1 1 A 56 56 ALA H H 56 7.550 7.828 -0.278 1 1 617 . 17 1 1 A 56 56 ALA HA H 56 4.310 4.149 0.161 1 1 621 . 17 1 1 A 56 56 ALA CA C 56 55.100 55.059 0.041 1 1 622 . 17 1 1 A 56 56 ALA CB C 56 18.100 18.276 -0.176 1 1 623 . 17 1 1 A 56 56 ALA N N 56 120.300 123.180 -2.880 1 1 624 . 17 1 1 A 57 57 LEU H H 57 8.170 7.958 0.212 1 1 625 . 17 1 1 A 57 57 LEU HA H 57 3.950 4.089 -0.139 1 1 635 . 17 1 1 A 57 57 LEU CA C 57 57.500 58.144 -0.644 1 1 636 . 17 1 1 A 57 57 LEU CB C 57 43.500 42.149 1.351 1 1 640 . 17 1 1 A 57 57 LEU N N 57 120.100 119.753 0.347 1 1 641 . 17 1 1 A 58 58 ALA H H 58 8.430 8.522 -0.092 1 1 642 . 17 1 1 A 58 58 ALA HA H 58 3.820 4.084 -0.264 1 1 646 . 17 1 1 A 58 58 ALA CA C 58 54.600 55.350 -0.750 1 1 647 . 17 1 1 A 58 58 ALA CB C 58 16.400 17.868 -1.468 1 1 648 . 17 1 1 A 58 58 ALA N N 58 122.600 121.269 1.331 1 1 649 . 17 1 1 A 59 59 ASP H H 59 8.790 8.545 0.245 1 1 650 . 17 1 1 A 59 59 ASP HA H 59 4.440 4.378 0.062 1 1 653 . 17 1 1 A 59 59 ASP CA C 59 57.000 57.039 -0.039 1 1 654 . 17 1 1 A 59 59 ASP CB C 59 39.800 41.683 -1.883 1 1 655 . 17 1 1 A 59 59 ASP N N 59 117.900 119.203 -1.303 1 1 656 . 17 1 1 A 60 60 TYR H H 60 8.050 7.840 0.210 1 1 657 . 17 1 1 A 60 60 TYR HA H 60 3.820 4.125 -0.305 1 1 664 . 17 1 1 A 60 60 TYR CA C 60 62.000 61.123 0.877 1 1 665 . 17 1 1 A 60 60 TYR CB C 60 38.200 38.457 -0.257 1 1 668 . 17 1 1 A 60 60 TYR N N 60 122.300 120.560 1.740 1 1 669 . 17 1 1 A 61 61 PHE H H 61 7.860 7.437 0.423 1 1 670 . 17 1 1 A 61 61 PHE HA H 61 4.530 4.501 0.029 1 1 678 . 17 1 1 A 61 61 PHE CA C 61 58.000 57.643 0.357 1 1 679 . 17 1 1 A 61 61 PHE CB C 61 39.800 39.071 0.729 1 1 683 . 17 1 1 A 61 61 PHE N N 61 114.100 114.555 -0.455 1 1 684 . 17 1 1 A 62 62 ASN H H 62 8.040 8.085 -0.045 1 1 685 . 17 1 1 A 62 62 ASN HA H 62 4.420 4.366 0.054 1 1 690 . 17 1 1 A 62 62 ASN CA C 62 54.200 53.941 0.259 1 1 691 . 17 1 1 A 62 62 ASN CB C 62 36.800 37.090 -0.290 1 1 692 . 17 1 1 A 62 62 ASN N N 62 118.100 118.105 -0.005 1 1 694 . 17 1 1 A 63 63 ILE H H 63 8.360 7.965 0.395 1 1 695 . 17 1 1 A 63 63 ILE HA H 63 4.710 4.866 -0.156 1 1 705 . 17 1 1 A 63 63 ILE CA C 63 59.600 58.340 1.260 1 1 706 . 17 1 1 A 63 63 ILE CB C 63 39.700 42.033 -2.333 1 1 710 . 17 1 1 A 63 63 ILE N N 63 112.700 113.688 -0.988 1 1 711 . 17 1 1 A 64 64 ASN H H 64 8.860 8.874 -0.014 1 1 712 . 17 1 1 A 64 64 ASN HA H 64 4.990 5.078 -0.088 1 1 717 . 17 1 1 A 64 64 ASN CA C 64 52.100 52.005 0.095 1 1 718 . 17 1 1 A 64 64 ASN CB C 64 40.600 40.561 0.039 1 1 719 . 17 1 1 A 64 64 ASN N N 64 117.400 119.519 -2.119 1 1 721 . 17 1 1 A 65 65 LYS H H 65 9.250 8.868 0.382 1 1 722 . 17 1 1 A 65 65 LYS HA H 65 3.720 4.102 -0.382 1 1 731 . 17 1 1 A 65 65 LYS CA C 65 60.900 58.943 1.957 1 1 732 . 17 1 1 A 65 65 LYS CB C 65 31.200 32.010 -0.810 1 1 736 . 17 1 1 A 65 65 LYS N N 65 123.200 122.364 0.836 1 1 737 . 17 1 1 A 66 66 SER H H 66 8.700 8.089 0.611 1 1 738 . 17 1 1 A 66 66 SER HA H 66 4.050 4.275 -0.225 1 1 741 . 17 1 1 A 66 66 SER CA C 66 61.200 61.966 -0.766 1 1 742 . 17 1 1 A 66 66 SER CB C 66 62.200 62.938 -0.738 1 1 743 . 17 1 1 A 66 66 SER N N 66 114.300 117.671 -3.371 1 1 744 . 17 1 1 A 67 67 ASP H H 67 7.510 7.971 -0.461 1 1 745 . 17 1 1 A 67 67 ASP HA H 67 4.500 4.545 -0.045 1 1 748 . 17 1 1 A 67 67 ASP CA C 67 56.700 57.058 -0.358 1 1 749 . 17 1 1 A 67 67 ASP CB C 67 41.000 40.612 0.388 1 1 750 . 17 1 1 A 67 67 ASP N N 67 119.800 121.833 -2.033 1 1 751 . 17 1 1 A 68 68 LEU H H 68 7.440 7.731 -0.291 1 1 752 . 17 1 1 A 68 68 LEU HA H 68 4.500 4.298 0.202 1 1 762 . 17 1 1 A 68 68 LEU CA C 68 55.700 56.926 -1.226 1 1 763 . 17 1 1 A 68 68 LEU CB C 68 43.500 42.500 1.000 1 1 767 . 17 1 1 A 68 68 LEU N N 68 113.800 118.370 -4.570 1 1 768 . 17 1 1 A 69 69 ILE H H 69 7.500 8.320 -0.820 1 1 769 . 17 1 1 A 69 69 ILE HA H 69 4.390 3.871 0.519 1 1 779 . 17 1 1 A 69 69 ILE CA C 69 61.700 65.277 -3.577 1 1 780 . 17 1 1 A 69 69 ILE CB C 69 39.600 37.766 1.834 1 1 784 . 17 1 1 A 69 69 ILE N N 69 112.800 117.915 -5.115 1 1 785 . 17 1 1 A 70 70 GLU H H 70 7.680 7.650 0.030 1 1 786 . 17 1 1 A 70 70 GLU HA H 70 4.500 4.522 -0.022 1 1 791 . 17 1 1 A 70 70 GLU CA C 70 55.200 55.764 -0.564 1 1 792 . 17 1 1 A 70 70 GLU CB C 70 30.800 30.688 0.112 1 1 794 . 17 1 1 A 70 70 GLU N N 70 118.300 119.841 -1.541 1 1 795 . 17 1 1 A 71 71 ASP H H 71 8.660 8.521 0.139 1 1 796 . 17 1 1 A 71 71 ASP HA H 71 4.640 4.827 -0.187 1 1 799 . 17 1 1 A 71 71 ASP CA C 71 53.400 53.742 -0.342 1 1 800 . 17 1 1 A 71 71 ASP CB C 71 40.800 42.661 -1.861 1 1 801 . 17 1 1 A 71 71 ASP N N 71 121.100 122.157 -1.057 1 1 802 . 17 1 1 A 72 72 LYS H H 72 8.980 9.001 -0.021 1 1 803 . 17 1 1 A 72 72 LYS HA H 72 4.270 4.340 -0.070 1 1 812 . 17 1 1 A 72 72 LYS CA C 72 56.400 56.955 -0.555 1 1 813 . 17 1 1 A 72 72 LYS CB C 72 32.400 32.354 0.046 1 1 817 . 17 1 1 A 72 72 LYS N N 72 126.200 126.803 -0.603 1 1 818 . 17 1 1 A 73 73 LYS H H 73 8.460 8.056 0.404 1 1 819 . 17 1 1 A 73 73 LYS HA H 73 4.180 4.191 -0.011 1 1 828 . 17 1 1 A 73 73 LYS CA C 73 56.500 57.340 -0.840 1 1 829 . 17 1 1 A 73 73 LYS CB C 73 31.600 32.448 -0.848 1 1 833 . 17 1 1 A 73 73 LYS N N 73 120.300 119.737 0.563 1 1 834 . 17 1 1 A 74 74 LEU H H 74 7.910 7.478 0.432 1 1 835 . 17 1 1 A 74 74 LEU HA H 74 4.260 4.382 -0.122 1 1 845 . 17 1 1 A 74 74 LEU CA C 74 55.000 54.265 0.735 1 1 846 . 17 1 1 A 74 74 LEU CB C 74 42.200 40.546 1.654 1 1 850 . 17 1 1 A 74 74 LEU N N 74 120.900 121.327 -0.427 1 1 851 . 17 1 1 A 75 75 ASN H H 75 8.320 8.408 -0.088 1 1 852 . 17 1 1 A 75 75 ASN HA H 75 4.710 4.870 -0.160 1 1 857 . 17 1 1 A 75 75 ASN CA C 75 53.000 53.064 -0.064 1 1 858 . 17 1 1 A 75 75 ASN CB C 75 38.700 39.042 -0.342 1 1 859 . 17 1 1 A 75 75 ASN N N 75 119.300 123.331 -4.031 1 1 861 . 17 1 1 A 76 76 ILE H H 76 8.010 8.400 -0.390 1 1 862 . 17 1 1 A 76 76 ILE HA H 76 4.180 3.965 0.215 1 1 872 . 17 1 1 A 76 76 ILE CA C 76 61.000 62.427 -1.427 1 1 873 . 17 1 1 A 76 76 ILE CB C 76 38.700 38.101 0.599 1 1 877 . 17 1 1 A 76 76 ILE N N 76 120.200 127.581 -7.381 1 1 878 . 17 1 1 A 77 77 ASP H H 77 8.390 8.689 -0.299 1 1 879 . 17 1 1 A 77 77 ASP HA H 77 4.660 5.256 -0.596 1 1 882 . 17 1 1 A 77 77 ASP CA C 77 54.200 52.638 1.562 1 1 883 . 17 1 1 A 77 77 ASP CB C 77 41.100 43.522 -2.422 1 1 884 . 17 1 1 A 77 77 ASP N N 77 123.500 127.602 -4.102 1 1 885 . 17 1 1 A 78 78 THR H H 78 8.010 8.701 -0.691 1 1 886 . 17 1 1 A 78 78 THR HA H 78 4.310 4.368 -0.058 1 1 891 . 17 1 1 A 78 78 THR CA C 78 61.600 62.879 -1.279 1 1 892 . 17 1 1 A 78 78 THR CB C 78 69.700 69.335 0.365 1 1 894 . 17 1 1 A 78 78 THR N N 78 114.200 121.294 -7.094 1 1 895 . 17 1 1 A 79 79 VAL H H 79 8.090 8.500 -0.410 1 1 896 . 17 1 1 A 79 79 VAL HA H 79 4.390 4.784 -0.394 1 1 904 . 17 1 1 A 79 79 VAL CA C 79 59.900 58.774 1.126 1 1 905 . 17 1 1 A 79 79 VAL CB C 79 32.400 32.927 -0.527 1 1 908 . 17 1 1 A 79 79 VAL N N 79 124.000 126.392 -2.392 1 1 909 . 17 1 1 A 80 80 PRO HA H 80 4.420 4.632 -0.212 1 1 916 . 17 1 1 A 80 80 PRO CA C 80 62.900 62.407 0.493 1 1 917 . 17 1 1 A 80 80 PRO CB C 80 31.900 32.435 -0.535 1 1 920 . 17 1 1 A 81 81 ILE H H 81 8.210 8.340 -0.130 1 1 921 . 17 1 1 A 81 81 ILE HA H 81 4.110 4.130 -0.020 1 1 931 . 17 1 1 A 81 81 ILE CA C 81 61.200 61.600 -0.400 1 1 932 . 17 1 1 A 81 81 ILE CB C 81 38.600 39.175 -0.575 1 1 936 . 17 1 1 A 81 81 ILE N N 81 121.300 122.763 -1.463 1 1 937 . 17 1 1 A 82 82 GLU H H 82 8.510 8.409 0.101 1 1 938 . 17 1 1 A 82 82 GLU HA H 82 4.300 4.608 -0.308 1 1 943 . 17 1 1 A 82 82 GLU CA C 82 56.300 55.062 1.238 1 1 944 . 17 1 1 A 82 82 GLU CB C 82 30.000 30.851 -0.851 1 1 946 . 17 1 1 A 82 82 GLU N N 82 124.600 125.669 -1.069 1 1 947 . 17 1 1 A 83 83 SER H H 83 8.330 8.448 -0.118 1 1 948 . 17 1 1 A 83 83 SER HA H 83 4.400 4.838 -0.438 1 1 951 . 17 1 1 A 83 83 SER CA C 83 58.500 56.309 2.191 1 1 952 . 17 1 1 A 83 83 SER CB C 83 63.600 64.851 -1.251 1 1 953 . 17 1 1 A 83 83 SER N N 83 116.900 117.690 -0.790 1 1 954 . 17 1 1 A 84 84 GLY H H 84 8.400 9.007 -0.607 1 1 955 . 17 1 1 A 84 84 GLY HA2 H 84 3.900 3.810 0.090 1 1 956 . 17 1 1 A 84 84 GLY HA3 H 84 3.900 3.908 -0.008 1 1 957 . 17 1 1 A 84 84 GLY CA C 84 45.300 47.466 -2.166 1 1 958 . 17 1 1 A 84 84 GLY N N 84 110.400 117.452 -7.052 1 1 959 . 17 1 1 A 85 85 TYR H H 85 8.000 7.447 0.553 1 1 960 . 17 1 1 A 85 85 TYR HA H 85 4.600 5.769 -1.169 1 1 967 . 17 1 1 A 85 85 TYR CA C 85 57.900 56.226 1.674 1 1 968 . 17 1 1 A 85 85 TYR CB C 85 38.700 41.241 -2.541 1 1 971 . 17 1 1 A 85 85 TYR N N 85 120.000 121.044 -1.044 1 1 972 . 17 1 1 A 86 86 THR H H 86 8.070 9.460 -1.390 1 1 973 . 17 1 1 A 86 86 THR HA H 86 4.280 4.831 -0.551 1 1 978 . 17 1 1 A 86 86 THR CA C 86 61.600 61.526 0.074 1 1 979 . 17 1 1 A 86 86 THR CB C 86 69.700 71.775 -2.075 1 1 1 . 18 1 1 A 4 4 ASP H H 4 8.270 7.943 0.327 1 1 2 . 18 1 1 A 4 4 ASP HA H 4 4.550 4.435 0.115 1 1 5 . 18 1 1 A 4 4 ASP CA C 4 54.700 55.031 -0.331 1 1 6 . 18 1 1 A 4 4 ASP CB C 4 41.400 39.469 1.931 1 1 7 . 18 1 1 A 4 4 ASP N N 4 121.200 117.592 3.608 1 1 8 . 18 1 1 A 5 5 LYS HA H 5 4.160 3.925 0.235 1 1 13 . 18 1 1 A 5 5 LYS CA C 5 58.300 59.171 -0.871 1 1 14 . 18 1 1 A 5 5 LYS CB C 5 32.400 32.203 0.197 1 1 16 . 18 1 1 A 6 6 GLN H H 6 8.170 8.245 -0.075 1 1 17 . 18 1 1 A 6 6 GLN HA H 6 4.090 4.024 0.066 1 1 24 . 18 1 1 A 6 6 GLN CA C 6 59.000 59.109 -0.109 1 1 25 . 18 1 1 A 6 6 GLN CB C 6 28.500 28.237 0.263 1 1 27 . 18 1 1 A 6 6 GLN N N 6 117.400 118.734 -1.334 1 1 29 . 18 1 1 A 7 7 LYS H H 7 7.970 7.822 0.148 1 1 30 . 18 1 1 A 7 7 LYS HA H 7 4.030 4.034 -0.004 1 1 39 . 18 1 1 A 7 7 LYS CA C 7 59.500 59.105 0.395 1 1 40 . 18 1 1 A 7 7 LYS CB C 7 32.500 32.316 0.184 1 1 44 . 18 1 1 A 7 7 LYS N N 7 119.400 118.955 0.445 1 1 45 . 18 1 1 A 8 8 ALA H H 8 7.980 7.708 0.272 1 1 46 . 18 1 1 A 8 8 ALA HA H 8 4.110 4.109 0.001 1 1 50 . 18 1 1 A 8 8 ALA CA C 8 55.000 54.892 0.108 1 1 51 . 18 1 1 A 8 8 ALA CB C 8 18.100 18.461 -0.361 1 1 52 . 18 1 1 A 8 8 ALA N N 8 123.300 122.327 0.973 1 1 53 . 18 1 1 A 9 9 ILE H H 9 8.070 8.201 -0.131 1 1 54 . 18 1 1 A 9 9 ILE HA H 9 3.760 3.659 0.101 1 1 64 . 18 1 1 A 9 9 ILE CA C 9 63.800 65.047 -1.247 1 1 65 . 18 1 1 A 9 9 ILE CB C 9 38.900 37.559 1.341 1 1 69 . 18 1 1 A 9 9 ILE N N 9 119.200 120.021 -0.821 1 1 70 . 18 1 1 A 10 10 PHE H H 10 8.020 8.570 -0.550 1 1 71 . 18 1 1 A 10 10 PHE HA H 10 4.720 3.963 0.757 1 1 79 . 18 1 1 A 10 10 PHE CA C 10 60.400 62.198 -1.798 1 1 80 . 18 1 1 A 10 10 PHE CB C 10 39.400 39.038 0.362 1 1 84 . 18 1 1 A 10 10 PHE N N 10 118.900 121.227 -2.327 1 1 85 . 18 1 1 A 11 11 SER H H 11 8.420 8.027 0.393 1 1 86 . 18 1 1 A 11 11 SER HA H 11 3.890 4.006 -0.116 1 1 89 . 18 1 1 A 11 11 SER CA C 11 62.000 61.762 0.238 1 1 90 . 18 1 1 A 11 11 SER CB C 11 62.800 63.074 -0.274 1 1 91 . 18 1 1 A 11 11 SER N N 11 112.700 114.106 -1.406 1 1 92 . 18 1 1 A 12 12 GLU H H 12 8.050 8.674 -0.624 1 1 93 . 18 1 1 A 12 12 GLU HA H 12 4.130 3.962 0.168 1 1 98 . 18 1 1 A 12 12 GLU CA C 12 59.400 59.575 -0.175 1 1 99 . 18 1 1 A 12 12 GLU CB C 12 29.100 29.137 -0.037 1 1 101 . 18 1 1 A 12 12 GLU N N 12 123.000 121.113 1.887 1 1 102 . 18 1 1 A 13 13 ASN H H 13 8.390 8.560 -0.170 1 1 103 . 18 1 1 A 13 13 ASN HA H 13 4.470 4.419 0.051 1 1 108 . 18 1 1 A 13 13 ASN CA C 13 55.700 56.328 -0.628 1 1 109 . 18 1 1 A 13 13 ASN CB C 13 37.900 38.249 -0.349 1 1 110 . 18 1 1 A 13 13 ASN N N 13 119.100 118.684 0.416 1 1 112 . 18 1 1 A 14 14 LEU H H 14 9.170 7.783 1.387 1 1 113 . 18 1 1 A 14 14 LEU HA H 14 3.860 4.016 -0.156 1 1 123 . 18 1 1 A 14 14 LEU CA C 14 58.800 57.851 0.949 1 1 124 . 18 1 1 A 14 14 LEU CB C 14 41.100 41.298 -0.198 1 1 128 . 18 1 1 A 14 14 LEU N N 14 122.200 120.983 1.217 1 1 129 . 18 1 1 A 15 15 ASN H H 15 8.700 8.464 0.236 1 1 130 . 18 1 1 A 15 15 ASN HA H 15 4.520 4.477 0.043 1 1 135 . 18 1 1 A 15 15 ASN CA C 15 56.600 56.337 0.263 1 1 136 . 18 1 1 A 15 15 ASN CB C 15 37.900 37.834 0.066 1 1 137 . 18 1 1 A 15 15 ASN N N 15 115.400 117.241 -1.841 1 1 139 . 18 1 1 A 16 16 SER H H 16 7.860 7.696 0.164 1 1 140 . 18 1 1 A 16 16 SER HA H 16 4.250 4.038 0.212 1 1 143 . 18 1 1 A 16 16 SER CA C 16 61.400 62.135 -0.735 1 1 144 . 18 1 1 A 16 16 SER CB C 16 62.100 63.169 -1.069 1 1 145 . 18 1 1 A 16 16 SER N N 16 117.600 116.466 1.134 1 1 146 . 18 1 1 A 17 17 TYR H H 17 7.740 7.121 0.619 1 1 147 . 18 1 1 A 17 17 TYR HA H 17 3.900 4.148 -0.248 1 1 154 . 18 1 1 A 17 17 TYR CA C 17 63.500 60.666 2.834 1 1 155 . 18 1 1 A 17 17 TYR CB C 17 35.600 37.711 -2.111 1 1 158 . 18 1 1 A 17 17 TYR N N 17 120.700 119.330 1.370 1 1 159 . 18 1 1 A 18 18 ILE H H 18 8.660 8.113 0.547 1 1 160 . 18 1 1 A 18 18 ILE HA H 18 3.710 3.902 -0.192 1 1 170 . 18 1 1 A 18 18 ILE CA C 18 66.400 65.521 0.879 1 1 171 . 18 1 1 A 18 18 ILE CB C 18 38.300 38.126 0.174 1 1 175 . 18 1 1 A 18 18 ILE N N 18 121.800 120.587 1.213 1 1 176 . 18 1 1 A 19 19 ALA H H 19 8.010 8.401 -0.391 1 1 177 . 18 1 1 A 19 19 ALA HA H 19 4.220 4.005 0.215 1 1 181 . 18 1 1 A 19 19 ALA CA C 19 55.000 55.063 -0.063 1 1 182 . 18 1 1 A 19 19 ALA CB C 19 17.800 18.163 -0.363 1 1 183 . 18 1 1 A 19 19 ALA N N 19 121.900 122.092 -0.192 1 1 184 . 18 1 1 A 20 20 LYS H H 20 7.650 7.407 0.243 1 1 185 . 18 1 1 A 20 20 LYS HA H 20 4.200 4.146 0.054 1 1 194 . 18 1 1 A 20 20 LYS CA C 20 57.900 58.861 -0.961 1 1 195 . 18 1 1 A 20 20 LYS CB C 20 33.000 31.990 1.010 1 1 199 . 18 1 1 A 20 20 LYS N N 20 116.500 117.591 -1.091 1 1 200 . 18 1 1 A 21 21 SER H H 21 8.000 7.945 0.055 1 1 201 . 18 1 1 A 21 21 SER HA H 21 4.460 4.536 -0.076 1 1 204 . 18 1 1 A 21 21 SER CA C 21 60.100 60.814 -0.714 1 1 205 . 18 1 1 A 21 21 SER CB C 21 64.700 63.958 0.742 1 1 206 . 18 1 1 A 21 21 SER N N 21 114.400 113.663 0.737 1 1 207 . 18 1 1 A 22 22 GLU H H 22 7.970 8.465 -0.495 1 1 208 . 18 1 1 A 22 22 GLU HA H 22 4.140 3.977 0.163 1 1 213 . 18 1 1 A 22 22 GLU CA C 22 57.900 57.699 0.201 1 1 214 . 18 1 1 A 22 22 GLU CB C 22 27.700 28.712 -1.012 1 1 216 . 18 1 1 A 22 22 GLU N N 22 116.000 120.568 -4.568 1 1 217 . 18 1 1 A 23 23 LYS H H 23 8.070 7.880 0.190 1 1 218 . 18 1 1 A 23 23 LYS HA H 23 4.730 4.688 0.042 1 1 227 . 18 1 1 A 23 23 LYS CA C 23 53.800 55.240 -1.440 1 1 228 . 18 1 1 A 23 23 LYS CB C 23 34.300 33.971 0.329 1 1 232 . 18 1 1 A 23 23 LYS N N 23 119.500 119.541 -0.041 1 1 233 . 18 1 1 A 24 24 THR H H 24 8.690 8.655 0.035 1 1 234 . 18 1 1 A 24 24 THR HA H 24 4.460 4.529 -0.069 1 1 239 . 18 1 1 A 24 24 THR CA C 24 60.200 60.891 -0.691 1 1 240 . 18 1 1 A 24 24 THR CB C 24 71.200 70.731 0.469 1 1 242 . 18 1 1 A 24 24 THR N N 24 109.900 114.516 -4.616 1 1 243 . 18 1 1 A 25 25 GLN H H 25 8.840 9.009 -0.169 1 1 244 . 18 1 1 A 25 25 GLN HA H 25 3.640 3.640 0.000 1 1 251 . 18 1 1 A 25 25 GLN CA C 25 59.900 58.817 1.083 1 1 252 . 18 1 1 A 25 25 GLN CB C 25 28.300 28.384 -0.084 1 1 254 . 18 1 1 A 25 25 GLN N N 25 118.500 121.247 -2.747 1 1 256 . 18 1 1 A 26 26 LEU H H 26 7.690 8.225 -0.535 1 1 257 . 18 1 1 A 26 26 LEU HA H 26 3.790 3.779 0.011 1 1 267 . 18 1 1 A 26 26 LEU CA C 26 57.900 57.731 0.169 1 1 268 . 18 1 1 A 26 26 LEU CB C 26 41.800 41.250 0.550 1 1 272 . 18 1 1 A 26 26 LEU N N 26 116.000 119.889 -3.889 1 1 273 . 18 1 1 A 27 27 GLU H H 27 7.540 7.854 -0.314 1 1 274 . 18 1 1 A 27 27 GLU HA H 27 3.880 3.959 -0.079 1 1 279 . 18 1 1 A 27 27 GLU CA C 27 58.800 59.284 -0.484 1 1 280 . 18 1 1 A 27 27 GLU CB C 27 29.500 29.525 -0.025 1 1 282 . 18 1 1 A 27 27 GLU N N 27 118.200 116.812 1.388 1 1 283 . 18 1 1 A 28 28 ILE H H 28 7.710 8.099 -0.389 1 1 284 . 18 1 1 A 28 28 ILE HA H 28 2.970 3.250 -0.280 1 1 294 . 18 1 1 A 28 28 ILE CA C 28 65.100 65.376 -0.276 1 1 295 . 18 1 1 A 28 28 ILE CB C 28 37.400 38.298 -0.898 1 1 299 . 18 1 1 A 28 28 ILE N N 28 121.400 120.336 1.064 1 1 300 . 18 1 1 A 29 29 ALA H H 29 7.690 8.306 -0.616 1 1 301 . 18 1 1 A 29 29 ALA HA H 29 3.230 3.817 -0.587 1 1 305 . 18 1 1 A 29 29 ALA CA C 29 55.300 55.453 -0.153 1 1 306 . 18 1 1 A 29 29 ALA CB C 29 16.300 18.213 -1.913 1 1 307 . 18 1 1 A 29 29 ALA N N 29 120.500 121.525 -1.025 1 1 308 . 18 1 1 A 30 30 LYS H H 30 7.580 8.121 -0.541 1 1 309 . 18 1 1 A 30 30 LYS HA H 30 4.050 3.899 0.151 1 1 318 . 18 1 1 A 30 30 LYS CA C 30 58.800 59.313 -0.513 1 1 319 . 18 1 1 A 30 30 LYS CB C 30 32.000 32.160 -0.160 1 1 323 . 18 1 1 A 30 30 LYS N N 30 114.800 118.938 -4.138 1 1 324 . 18 1 1 A 31 31 SER H H 31 7.680 7.820 -0.140 1 1 325 . 18 1 1 A 31 31 SER HA H 31 4.220 4.110 0.110 1 1 328 . 18 1 1 A 31 31 SER CA C 31 62.300 62.519 -0.219 1 1 329 . 18 1 1 A 31 31 SER CB C 31 63.300 62.560 0.740 1 1 330 . 18 1 1 A 31 31 SER N N 31 115.800 116.859 -1.059 1 1 331 . 18 1 1 A 32 32 ILE H H 32 7.800 7.681 0.119 1 1 332 . 18 1 1 A 32 32 ILE HA H 32 4.400 3.880 0.520 1 1 342 . 18 1 1 A 32 32 ILE CA C 32 60.300 62.991 -2.691 1 1 343 . 18 1 1 A 32 32 ILE CB C 32 37.500 38.616 -1.116 1 1 347 . 18 1 1 A 32 32 ILE N N 32 113.800 117.287 -3.487 1 1 348 . 18 1 1 A 33 33 GLY H H 33 7.880 8.610 -0.730 1 1 349 . 18 1 1 A 33 33 GLY HA2 H 33 3.890 4.009 -0.119 1 1 350 . 18 1 1 A 33 33 GLY HA3 H 33 4.040 4.030 0.010 1 1 351 . 18 1 1 A 33 33 GLY CA C 33 46.800 45.205 1.595 1 1 352 . 18 1 1 A 33 33 GLY N N 33 110.500 108.427 2.073 1 1 353 . 18 1 1 A 34 34 VAL H H 34 7.910 7.629 0.281 1 1 354 . 18 1 1 A 34 34 VAL HA H 34 4.720 4.818 -0.098 1 1 362 . 18 1 1 A 34 34 VAL CA C 34 58.700 59.295 -0.595 1 1 363 . 18 1 1 A 34 34 VAL CB C 34 35.500 35.226 0.274 1 1 366 . 18 1 1 A 34 34 VAL N N 34 113.500 115.934 -2.434 1 1 367 . 18 1 1 A 35 35 SER H H 35 8.650 8.488 0.162 1 1 368 . 18 1 1 A 35 35 SER HA H 35 4.580 4.575 0.005 1 1 371 . 18 1 1 A 35 35 SER CA C 35 55.900 57.283 -1.383 1 1 372 . 18 1 1 A 35 35 SER CB C 35 62.800 62.364 0.436 1 1 373 . 18 1 1 A 35 35 SER N N 35 118.400 118.186 0.214 1 1 374 . 18 1 1 A 36 36 PRO HA H 36 3.950 4.292 -0.342 1 1 381 . 18 1 1 A 36 36 PRO CA C 36 65.100 65.137 -0.037 1 1 382 . 18 1 1 A 36 36 PRO CB C 36 31.500 32.044 -0.544 1 1 385 . 18 1 1 A 37 37 GLN H H 37 8.300 8.432 -0.132 1 1 386 . 18 1 1 A 37 37 GLN HA H 37 4.030 4.105 -0.075 1 1 393 . 18 1 1 A 37 37 GLN CA C 37 59.400 58.175 1.225 1 1 394 . 18 1 1 A 37 37 GLN CB C 37 27.400 27.884 -0.484 1 1 396 . 18 1 1 A 37 37 GLN N N 37 117.300 117.375 -0.075 1 1 398 . 18 1 1 A 38 38 THR H H 38 7.790 7.620 0.170 1 1 399 . 18 1 1 A 38 38 THR HA H 38 3.590 3.694 -0.104 1 1 404 . 18 1 1 A 38 38 THR CA C 38 66.000 65.753 0.247 1 1 405 . 18 1 1 A 38 38 THR CB C 38 67.900 68.205 -0.305 1 1 407 . 18 1 1 A 38 38 THR N N 38 119.500 116.158 3.342 1 1 408 . 18 1 1 A 39 39 PHE H H 39 8.150 7.919 0.231 1 1 409 . 18 1 1 A 39 39 PHE HA H 39 2.690 3.677 -0.987 1 1 417 . 18 1 1 A 39 39 PHE CA C 39 60.700 61.412 -0.712 1 1 418 . 18 1 1 A 39 39 PHE CB C 39 39.500 38.894 0.606 1 1 422 . 18 1 1 A 39 39 PHE N N 39 123.200 122.455 0.745 1 1 423 . 18 1 1 A 40 40 ASN H H 40 8.270 8.080 0.190 1 1 424 . 18 1 1 A 40 40 ASN HA H 40 4.410 4.478 -0.068 1 1 429 . 18 1 1 A 40 40 ASN CA C 40 56.800 56.353 0.447 1 1 430 . 18 1 1 A 40 40 ASN CB C 40 38.700 39.206 -0.506 1 1 431 . 18 1 1 A 40 40 ASN N N 40 115.400 116.923 -1.523 1 1 433 . 18 1 1 A 41 41 THR H H 41 7.520 7.537 -0.017 1 1 434 . 18 1 1 A 41 41 THR HA H 41 4.010 4.086 -0.076 1 1 439 . 18 1 1 A 41 41 THR CA C 41 66.000 64.995 1.005 1 1 440 . 18 1 1 A 41 41 THR CB C 41 69.100 68.522 0.578 1 1 442 . 18 1 1 A 41 41 THR N N 41 109.700 113.175 -3.475 1 1 443 . 18 1 1 A 42 42 TRP H H 42 7.190 6.683 0.507 1 1 444 . 18 1 1 A 42 42 TRP HA H 42 5.420 4.653 0.767 1 1 453 . 18 1 1 A 42 42 TRP CA C 42 56.300 59.300 -3.000 1 1 454 . 18 1 1 A 42 42 TRP CB C 42 28.400 30.126 -1.726 1 1 460 . 18 1 1 A 42 42 TRP N N 42 124.000 121.266 2.734 1 1 462 . 18 1 1 A 43 43 CYS H H 43 7.610 8.379 -0.769 1 1 463 . 18 1 1 A 43 43 CYS HA H 43 4.090 4.248 -0.158 1 1 466 . 18 1 1 A 43 43 CYS CA C 43 62.600 62.348 0.252 1 1 467 . 18 1 1 A 43 43 CYS CB C 43 27.600 27.285 0.315 1 1 468 . 18 1 1 A 43 43 CYS N N 43 117.200 119.180 -1.980 1 1 469 . 18 1 1 A 44 44 LYS H H 44 7.870 7.655 0.215 1 1 470 . 18 1 1 A 44 44 LYS HA H 44 4.410 4.343 0.067 1 1 479 . 18 1 1 A 44 44 LYS CA C 44 55.500 55.868 -0.368 1 1 480 . 18 1 1 A 44 44 LYS CB C 44 33.100 33.004 0.096 1 1 484 . 18 1 1 A 44 44 LYS N N 44 115.700 117.874 -2.174 1 1 485 . 18 1 1 A 45 45 GLY H H 45 7.800 8.086 -0.286 1 1 486 . 18 1 1 A 45 45 GLY HA2 H 45 3.980 3.996 -0.016 1 1 487 . 18 1 1 A 45 45 GLY HA3 H 45 4.200 4.046 0.154 1 1 488 . 18 1 1 A 45 45 GLY CA C 45 46.100 46.702 -0.602 1 1 489 . 18 1 1 A 45 45 GLY N N 45 107.200 107.740 -0.540 1 1 490 . 18 1 1 A 46 46 ILE H H 46 7.890 8.222 -0.332 1 1 491 . 18 1 1 A 46 46 ILE HA H 46 4.110 4.082 0.028 1 1 501 . 18 1 1 A 46 46 ILE CA C 46 61.600 63.059 -1.459 1 1 502 . 18 1 1 A 46 46 ILE CB C 46 39.100 38.463 0.637 1 1 506 . 18 1 1 A 46 46 ILE N N 46 115.700 117.367 -1.667 1 1 507 . 18 1 1 A 47 47 ALA H H 47 7.540 7.389 0.151 1 1 508 . 18 1 1 A 47 47 ALA HA H 47 4.590 4.716 -0.126 1 1 512 . 18 1 1 A 47 47 ALA CA C 47 50.700 51.177 -0.477 1 1 513 . 18 1 1 A 47 47 ALA CB C 47 22.600 23.099 -0.499 1 1 514 . 18 1 1 A 47 47 ALA N N 47 121.600 119.127 2.473 1 1 515 . 18 1 1 A 48 48 ILE H H 48 8.260 8.669 -0.409 1 1 516 . 18 1 1 A 48 48 ILE HA H 48 4.080 4.049 0.031 1 1 526 . 18 1 1 A 48 48 ILE CA C 48 56.600 57.198 -0.598 1 1 527 . 18 1 1 A 48 48 ILE CB C 48 40.800 38.429 2.371 1 1 531 . 18 1 1 A 48 48 ILE N N 48 118.900 120.644 -1.744 1 1 532 . 18 1 1 A 49 49 PRO HA H 49 4.230 4.367 -0.137 1 1 539 . 18 1 1 A 49 49 PRO CA C 49 61.300 61.709 -0.409 1 1 540 . 18 1 1 A 49 49 PRO CB C 49 31.900 31.709 0.191 1 1 543 . 18 1 1 A 50 50 ARG H H 50 8.130 8.406 -0.276 1 1 544 . 18 1 1 A 50 50 ARG HA H 50 4.170 4.226 -0.056 1 1 551 . 18 1 1 A 50 50 ARG CA C 50 55.600 55.955 -0.355 1 1 552 . 18 1 1 A 50 50 ARG CB C 50 30.500 31.604 -1.104 1 1 555 . 18 1 1 A 50 50 ARG N N 50 115.900 121.604 -5.704 1 1 556 . 18 1 1 A 51 51 MET H H 51 8.680 8.570 0.110 1 1 557 . 18 1 1 A 51 51 MET HA H 51 4.120 4.075 0.045 1 1 565 . 18 1 1 A 51 51 MET CA C 51 57.700 58.336 -0.636 1 1 566 . 18 1 1 A 51 51 MET CB C 51 31.200 31.289 -0.089 1 1 569 . 18 1 1 A 51 51 MET N N 51 120.000 123.668 -3.668 1 1 570 . 18 1 1 A 52 52 GLY HA2 H 52 4.000 3.769 0.231 1 1 571 . 18 1 1 A 52 52 GLY HA3 H 52 3.920 3.770 0.150 1 1 572 . 18 1 1 A 52 52 GLY CA C 52 46.800 47.344 -0.544 1 1 573 . 18 1 1 A 53 53 LYS H H 53 7.520 7.714 -0.194 1 1 574 . 18 1 1 A 53 53 LYS HA H 53 4.450 4.207 0.243 1 1 583 . 18 1 1 A 53 53 LYS CA C 53 56.200 58.454 -2.254 1 1 584 . 18 1 1 A 53 53 LYS CB C 53 32.200 32.155 0.045 1 1 588 . 18 1 1 A 53 53 LYS N N 53 119.900 122.139 -2.239 1 1 589 . 18 1 1 A 54 54 VAL H H 54 7.650 7.812 -0.162 1 1 590 . 18 1 1 A 54 54 VAL HA H 54 3.420 3.511 -0.091 1 1 598 . 18 1 1 A 54 54 VAL CA C 54 67.600 66.512 1.088 1 1 599 . 18 1 1 A 54 54 VAL CB C 54 30.600 31.357 -0.757 1 1 602 . 18 1 1 A 54 54 VAL N N 54 121.300 120.195 1.105 1 1 603 . 18 1 1 A 55 55 GLN H H 55 8.460 8.345 0.115 1 1 604 . 18 1 1 A 55 55 GLN HA H 55 3.790 4.011 -0.221 1 1 611 . 18 1 1 A 55 55 GLN CA C 55 58.000 58.450 -0.450 1 1 612 . 18 1 1 A 55 55 GLN CB C 55 28.200 29.090 -0.890 1 1 614 . 18 1 1 A 55 55 GLN N N 55 118.100 120.464 -2.364 1 1 616 . 18 1 1 A 56 56 ALA H H 56 7.550 7.968 -0.418 1 1 617 . 18 1 1 A 56 56 ALA HA H 56 4.310 4.107 0.203 1 1 621 . 18 1 1 A 56 56 ALA CA C 56 55.100 55.009 0.091 1 1 622 . 18 1 1 A 56 56 ALA CB C 56 18.100 18.248 -0.148 1 1 623 . 18 1 1 A 56 56 ALA N N 56 120.300 122.565 -2.265 1 1 624 . 18 1 1 A 57 57 LEU H H 57 8.170 8.217 -0.047 1 1 625 . 18 1 1 A 57 57 LEU HA H 57 3.950 3.952 -0.002 1 1 635 . 18 1 1 A 57 57 LEU CA C 57 57.500 58.145 -0.645 1 1 636 . 18 1 1 A 57 57 LEU CB C 57 43.500 42.032 1.468 1 1 640 . 18 1 1 A 57 57 LEU N N 57 120.100 119.011 1.089 1 1 641 . 18 1 1 A 58 58 ALA H H 58 8.430 8.423 0.007 1 1 642 . 18 1 1 A 58 58 ALA HA H 58 3.820 4.167 -0.347 1 1 646 . 18 1 1 A 58 58 ALA CA C 58 54.600 55.172 -0.572 1 1 647 . 18 1 1 A 58 58 ALA CB C 58 16.400 18.120 -1.720 1 1 648 . 18 1 1 A 58 58 ALA N N 58 122.600 121.137 1.463 1 1 649 . 18 1 1 A 59 59 ASP H H 59 8.790 8.233 0.557 1 1 650 . 18 1 1 A 59 59 ASP HA H 59 4.440 4.388 0.052 1 1 653 . 18 1 1 A 59 59 ASP CA C 59 57.000 57.260 -0.260 1 1 654 . 18 1 1 A 59 59 ASP CB C 59 39.800 40.797 -0.997 1 1 655 . 18 1 1 A 59 59 ASP N N 59 117.900 119.255 -1.355 1 1 656 . 18 1 1 A 60 60 TYR H H 60 8.050 7.999 0.051 1 1 657 . 18 1 1 A 60 60 TYR HA H 60 3.820 4.122 -0.302 1 1 664 . 18 1 1 A 60 60 TYR CA C 60 62.000 61.315 0.685 1 1 665 . 18 1 1 A 60 60 TYR CB C 60 38.200 38.030 0.170 1 1 668 . 18 1 1 A 60 60 TYR N N 60 122.300 120.506 1.794 1 1 669 . 18 1 1 A 61 61 PHE H H 61 7.860 7.381 0.479 1 1 670 . 18 1 1 A 61 61 PHE HA H 61 4.530 4.450 0.080 1 1 678 . 18 1 1 A 61 61 PHE CA C 61 58.000 57.539 0.461 1 1 679 . 18 1 1 A 61 61 PHE CB C 61 39.800 39.181 0.619 1 1 683 . 18 1 1 A 61 61 PHE N N 61 114.100 115.006 -0.906 1 1 684 . 18 1 1 A 62 62 ASN H H 62 8.040 7.930 0.110 1 1 685 . 18 1 1 A 62 62 ASN HA H 62 4.420 4.261 0.159 1 1 690 . 18 1 1 A 62 62 ASN CA C 62 54.200 54.333 -0.133 1 1 691 . 18 1 1 A 62 62 ASN CB C 62 36.800 36.603 0.197 1 1 692 . 18 1 1 A 62 62 ASN N N 62 118.100 113.999 4.101 1 1 694 . 18 1 1 A 63 63 ILE H H 63 8.360 7.949 0.411 1 1 695 . 18 1 1 A 63 63 ILE HA H 63 4.710 4.773 -0.063 1 1 705 . 18 1 1 A 63 63 ILE CA C 63 59.600 58.387 1.213 1 1 706 . 18 1 1 A 63 63 ILE CB C 63 39.700 41.255 -1.555 1 1 710 . 18 1 1 A 63 63 ILE N N 63 112.700 112.748 -0.048 1 1 711 . 18 1 1 A 64 64 ASN H H 64 8.860 8.706 0.154 1 1 712 . 18 1 1 A 64 64 ASN HA H 64 4.990 4.992 -0.002 1 1 717 . 18 1 1 A 64 64 ASN CA C 64 52.100 52.046 0.054 1 1 718 . 18 1 1 A 64 64 ASN CB C 64 40.600 40.389 0.211 1 1 719 . 18 1 1 A 64 64 ASN N N 64 117.400 119.721 -2.321 1 1 721 . 18 1 1 A 65 65 LYS H H 65 9.250 8.848 0.402 1 1 722 . 18 1 1 A 65 65 LYS HA H 65 3.720 4.062 -0.342 1 1 731 . 18 1 1 A 65 65 LYS CA C 65 60.900 58.858 2.042 1 1 732 . 18 1 1 A 65 65 LYS CB C 65 31.200 31.971 -0.771 1 1 736 . 18 1 1 A 65 65 LYS N N 65 123.200 122.346 0.854 1 1 737 . 18 1 1 A 66 66 SER H H 66 8.700 8.084 0.616 1 1 738 . 18 1 1 A 66 66 SER HA H 66 4.050 4.150 -0.100 1 1 741 . 18 1 1 A 66 66 SER CA C 66 61.200 62.055 -0.855 1 1 742 . 18 1 1 A 66 66 SER CB C 66 62.200 62.798 -0.598 1 1 743 . 18 1 1 A 66 66 SER N N 66 114.300 117.738 -3.438 1 1 744 . 18 1 1 A 67 67 ASP H H 67 7.510 8.279 -0.769 1 1 745 . 18 1 1 A 67 67 ASP HA H 67 4.500 4.428 0.072 1 1 748 . 18 1 1 A 67 67 ASP CA C 67 56.700 57.031 -0.331 1 1 749 . 18 1 1 A 67 67 ASP CB C 67 41.000 40.264 0.736 1 1 750 . 18 1 1 A 67 67 ASP N N 67 119.800 122.118 -2.318 1 1 751 . 18 1 1 A 68 68 LEU H H 68 7.440 7.676 -0.236 1 1 752 . 18 1 1 A 68 68 LEU HA H 68 4.500 4.314 0.186 1 1 762 . 18 1 1 A 68 68 LEU CA C 68 55.700 55.799 -0.099 1 1 763 . 18 1 1 A 68 68 LEU CB C 68 43.500 42.565 0.935 1 1 767 . 18 1 1 A 68 68 LEU N N 68 113.800 117.725 -3.925 1 1 768 . 18 1 1 A 69 69 ILE H H 69 7.500 7.361 0.139 1 1 769 . 18 1 1 A 69 69 ILE HA H 69 4.390 4.204 0.186 1 1 779 . 18 1 1 A 69 69 ILE CA C 69 61.700 62.654 -0.954 1 1 780 . 18 1 1 A 69 69 ILE CB C 69 39.600 39.147 0.453 1 1 784 . 18 1 1 A 69 69 ILE N N 69 112.800 116.562 -3.762 1 1 785 . 18 1 1 A 70 70 GLU H H 70 7.680 8.327 -0.647 1 1 786 . 18 1 1 A 70 70 GLU HA H 70 4.500 4.480 0.020 1 1 791 . 18 1 1 A 70 70 GLU CA C 70 55.200 55.963 -0.763 1 1 792 . 18 1 1 A 70 70 GLU CB C 70 30.800 30.577 0.223 1 1 794 . 18 1 1 A 70 70 GLU N N 70 118.300 120.037 -1.737 1 1 795 . 18 1 1 A 71 71 ASP H H 71 8.660 8.630 0.030 1 1 796 . 18 1 1 A 71 71 ASP HA H 71 4.640 4.725 -0.085 1 1 799 . 18 1 1 A 71 71 ASP CA C 71 53.400 54.114 -0.714 1 1 800 . 18 1 1 A 71 71 ASP CB C 71 40.800 42.059 -1.259 1 1 801 . 18 1 1 A 71 71 ASP N N 71 121.100 121.931 -0.831 1 1 802 . 18 1 1 A 72 72 LYS H H 72 8.980 8.785 0.195 1 1 803 . 18 1 1 A 72 72 LYS HA H 72 4.270 4.164 0.106 1 1 812 . 18 1 1 A 72 72 LYS CA C 72 56.400 58.168 -1.768 1 1 813 . 18 1 1 A 72 72 LYS CB C 72 32.400 31.718 0.682 1 1 817 . 18 1 1 A 72 72 LYS N N 72 126.200 122.533 3.667 1 1 818 . 18 1 1 A 73 73 LYS H H 73 8.460 7.642 0.818 1 1 819 . 18 1 1 A 73 73 LYS HA H 73 4.180 4.391 -0.211 1 1 828 . 18 1 1 A 73 73 LYS CA C 73 56.500 55.428 1.072 1 1 829 . 18 1 1 A 73 73 LYS CB C 73 31.600 31.057 0.543 1 1 833 . 18 1 1 A 73 73 LYS N N 73 120.300 121.319 -1.019 1 1 834 . 18 1 1 A 74 74 LEU H H 74 7.910 7.292 0.618 1 1 835 . 18 1 1 A 74 74 LEU HA H 74 4.260 4.537 -0.277 1 1 845 . 18 1 1 A 74 74 LEU CA C 74 55.000 54.478 0.522 1 1 846 . 18 1 1 A 74 74 LEU CB C 74 42.200 40.433 1.767 1 1 850 . 18 1 1 A 74 74 LEU N N 74 120.900 122.854 -1.954 1 1 851 . 18 1 1 A 75 75 ASN H H 75 8.320 8.531 -0.211 1 1 852 . 18 1 1 A 75 75 ASN HA H 75 4.710 5.441 -0.731 1 1 857 . 18 1 1 A 75 75 ASN CA C 75 53.000 51.743 1.257 1 1 858 . 18 1 1 A 75 75 ASN CB C 75 38.700 42.052 -3.352 1 1 859 . 18 1 1 A 75 75 ASN N N 75 119.300 123.366 -4.066 1 1 861 . 18 1 1 A 76 76 ILE H H 76 8.010 8.661 -0.651 1 1 862 . 18 1 1 A 76 76 ILE HA H 76 4.180 4.102 0.078 1 1 872 . 18 1 1 A 76 76 ILE CA C 76 61.000 62.505 -1.505 1 1 873 . 18 1 1 A 76 76 ILE CB C 76 38.700 37.508 1.192 1 1 877 . 18 1 1 A 76 76 ILE N N 76 120.200 124.824 -4.624 1 1 878 . 18 1 1 A 77 77 ASP H H 77 8.390 8.620 -0.230 1 1 879 . 18 1 1 A 77 77 ASP HA H 77 4.660 4.898 -0.238 1 1 882 . 18 1 1 A 77 77 ASP CA C 77 54.200 53.852 0.348 1 1 883 . 18 1 1 A 77 77 ASP CB C 77 41.100 43.242 -2.142 1 1 884 . 18 1 1 A 77 77 ASP N N 77 123.500 127.043 -3.543 1 1 885 . 18 1 1 A 78 78 THR H H 78 8.010 8.917 -0.907 1 1 886 . 18 1 1 A 78 78 THR HA H 78 4.310 4.159 0.151 1 1 891 . 18 1 1 A 78 78 THR CA C 78 61.600 64.218 -2.618 1 1 892 . 18 1 1 A 78 78 THR CB C 78 69.700 68.584 1.116 1 1 894 . 18 1 1 A 78 78 THR N N 78 114.200 121.780 -7.580 1 1 895 . 18 1 1 A 79 79 VAL H H 79 8.090 8.276 -0.186 1 1 896 . 18 1 1 A 79 79 VAL HA H 79 4.390 4.674 -0.284 1 1 904 . 18 1 1 A 79 79 VAL CA C 79 59.900 59.177 0.723 1 1 905 . 18 1 1 A 79 79 VAL CB C 79 32.400 33.291 -0.891 1 1 908 . 18 1 1 A 79 79 VAL N N 79 124.000 126.868 -2.868 1 1 909 . 18 1 1 A 80 80 PRO HA H 80 4.420 4.371 0.049 1 1 916 . 18 1 1 A 80 80 PRO CA C 80 62.900 63.132 -0.232 1 1 917 . 18 1 1 A 80 80 PRO CB C 80 31.900 31.695 0.205 1 1 920 . 18 1 1 A 81 81 ILE H H 81 8.210 8.562 -0.352 1 1 921 . 18 1 1 A 81 81 ILE HA H 81 4.110 4.512 -0.402 1 1 931 . 18 1 1 A 81 81 ILE CA C 81 61.200 59.759 1.441 1 1 932 . 18 1 1 A 81 81 ILE CB C 81 38.600 42.297 -3.697 1 1 936 . 18 1 1 A 81 81 ILE N N 81 121.300 124.130 -2.830 1 1 937 . 18 1 1 A 82 82 GLU H H 82 8.510 8.549 -0.039 1 1 938 . 18 1 1 A 82 82 GLU HA H 82 4.300 4.376 -0.076 1 1 943 . 18 1 1 A 82 82 GLU CA C 82 56.300 55.881 0.419 1 1 944 . 18 1 1 A 82 82 GLU CB C 82 30.000 29.154 0.846 1 1 946 . 18 1 1 A 82 82 GLU N N 82 124.600 126.668 -2.068 1 1 947 . 18 1 1 A 83 83 SER H H 83 8.330 8.201 0.129 1 1 948 . 18 1 1 A 83 83 SER HA H 83 4.400 5.004 -0.604 1 1 951 . 18 1 1 A 83 83 SER CA C 83 58.500 56.567 1.933 1 1 952 . 18 1 1 A 83 83 SER CB C 83 63.600 63.798 -0.198 1 1 953 . 18 1 1 A 83 83 SER N N 83 116.900 119.865 -2.965 1 1 954 . 18 1 1 A 84 84 GLY H H 84 8.400 9.002 -0.602 1 1 955 . 18 1 1 A 84 84 GLY HA2 H 84 3.900 3.785 0.115 1 1 956 . 18 1 1 A 84 84 GLY HA3 H 84 3.900 3.858 0.042 1 1 957 . 18 1 1 A 84 84 GLY CA C 84 45.300 46.991 -1.691 1 1 958 . 18 1 1 A 84 84 GLY N N 84 110.400 111.164 -0.764 1 1 959 . 18 1 1 A 85 85 TYR H H 85 8.000 7.286 0.714 1 1 960 . 18 1 1 A 85 85 TYR HA H 85 4.600 5.186 -0.586 1 1 967 . 18 1 1 A 85 85 TYR CA C 85 57.900 56.689 1.211 1 1 968 . 18 1 1 A 85 85 TYR CB C 85 38.700 40.803 -2.103 1 1 971 . 18 1 1 A 85 85 TYR N N 85 120.000 117.876 2.124 1 1 972 . 18 1 1 A 86 86 THR H H 86 8.070 8.901 -0.831 1 1 973 . 18 1 1 A 86 86 THR HA H 86 4.280 4.487 -0.207 1 1 978 . 18 1 1 A 86 86 THR CA C 86 61.600 62.295 -0.695 1 1 979 . 18 1 1 A 86 86 THR CB C 86 69.700 69.116 0.584 1 1 1 . 19 1 1 A 4 4 ASP H H 4 8.270 8.461 -0.191 1 1 2 . 19 1 1 A 4 4 ASP HA H 4 4.550 5.009 -0.459 1 1 5 . 19 1 1 A 4 4 ASP CA C 4 54.700 53.636 1.064 1 1 6 . 19 1 1 A 4 4 ASP CB C 4 41.400 41.408 -0.008 1 1 7 . 19 1 1 A 4 4 ASP N N 4 121.200 123.385 -2.185 1 1 8 . 19 1 1 A 5 5 LYS HA H 5 4.160 3.986 0.174 1 1 13 . 19 1 1 A 5 5 LYS CA C 5 58.300 58.860 -0.560 1 1 14 . 19 1 1 A 5 5 LYS CB C 5 32.400 32.229 0.171 1 1 16 . 19 1 1 A 6 6 GLN H H 6 8.170 8.207 -0.037 1 1 17 . 19 1 1 A 6 6 GLN HA H 6 4.090 4.047 0.043 1 1 24 . 19 1 1 A 6 6 GLN CA C 6 59.000 59.089 -0.089 1 1 25 . 19 1 1 A 6 6 GLN CB C 6 28.500 28.029 0.471 1 1 27 . 19 1 1 A 6 6 GLN N N 6 117.400 118.417 -1.017 1 1 29 . 19 1 1 A 7 7 LYS H H 7 7.970 8.093 -0.123 1 1 30 . 19 1 1 A 7 7 LYS HA H 7 4.030 4.116 -0.086 1 1 39 . 19 1 1 A 7 7 LYS CA C 7 59.500 59.225 0.275 1 1 40 . 19 1 1 A 7 7 LYS CB C 7 32.500 31.829 0.671 1 1 44 . 19 1 1 A 7 7 LYS N N 7 119.400 119.095 0.305 1 1 45 . 19 1 1 A 8 8 ALA H H 8 7.980 8.039 -0.059 1 1 46 . 19 1 1 A 8 8 ALA HA H 8 4.110 4.117 -0.007 1 1 50 . 19 1 1 A 8 8 ALA CA C 8 55.000 54.930 0.070 1 1 51 . 19 1 1 A 8 8 ALA CB C 8 18.100 18.073 0.027 1 1 52 . 19 1 1 A 8 8 ALA N N 8 123.300 122.302 0.998 1 1 53 . 19 1 1 A 9 9 ILE H H 9 8.070 7.754 0.316 1 1 54 . 19 1 1 A 9 9 ILE HA H 9 3.760 3.711 0.049 1 1 64 . 19 1 1 A 9 9 ILE CA C 9 63.800 65.270 -1.470 1 1 65 . 19 1 1 A 9 9 ILE CB C 9 38.900 37.830 1.070 1 1 69 . 19 1 1 A 9 9 ILE N N 9 119.200 120.056 -0.856 1 1 70 . 19 1 1 A 10 10 PHE H H 10 8.020 8.314 -0.294 1 1 71 . 19 1 1 A 10 10 PHE HA H 10 4.720 4.572 0.148 1 1 79 . 19 1 1 A 10 10 PHE CA C 10 60.400 61.981 -1.581 1 1 80 . 19 1 1 A 10 10 PHE CB C 10 39.400 39.103 0.297 1 1 84 . 19 1 1 A 10 10 PHE N N 10 118.900 121.120 -2.220 1 1 85 . 19 1 1 A 11 11 SER H H 11 8.420 8.577 -0.157 1 1 86 . 19 1 1 A 11 11 SER HA H 11 3.890 4.025 -0.135 1 1 89 . 19 1 1 A 11 11 SER CA C 11 62.000 61.601 0.399 1 1 90 . 19 1 1 A 11 11 SER CB C 11 62.800 62.668 0.132 1 1 91 . 19 1 1 A 11 11 SER N N 11 112.700 113.842 -1.142 1 1 92 . 19 1 1 A 12 12 GLU H H 12 8.050 8.219 -0.169 1 1 93 . 19 1 1 A 12 12 GLU HA H 12 4.130 3.952 0.178 1 1 98 . 19 1 1 A 12 12 GLU CA C 12 59.400 59.526 -0.126 1 1 99 . 19 1 1 A 12 12 GLU CB C 12 29.100 28.986 0.114 1 1 101 . 19 1 1 A 12 12 GLU N N 12 123.000 121.818 1.182 1 1 102 . 19 1 1 A 13 13 ASN H H 13 8.390 7.970 0.420 1 1 103 . 19 1 1 A 13 13 ASN HA H 13 4.470 4.177 0.293 1 1 108 . 19 1 1 A 13 13 ASN CA C 13 55.700 56.079 -0.379 1 1 109 . 19 1 1 A 13 13 ASN CB C 13 37.900 37.921 -0.021 1 1 110 . 19 1 1 A 13 13 ASN N N 13 119.100 118.803 0.297 1 1 112 . 19 1 1 A 14 14 LEU H H 14 9.170 7.725 1.445 1 1 113 . 19 1 1 A 14 14 LEU HA H 14 3.860 3.847 0.013 1 1 123 . 19 1 1 A 14 14 LEU CA C 14 58.800 58.250 0.550 1 1 124 . 19 1 1 A 14 14 LEU CB C 14 41.100 41.228 -0.128 1 1 128 . 19 1 1 A 14 14 LEU N N 14 122.200 121.028 1.172 1 1 129 . 19 1 1 A 15 15 ASN H H 15 8.700 8.705 -0.005 1 1 130 . 19 1 1 A 15 15 ASN HA H 15 4.520 4.365 0.155 1 1 135 . 19 1 1 A 15 15 ASN CA C 15 56.600 56.960 -0.360 1 1 136 . 19 1 1 A 15 15 ASN CB C 15 37.900 38.915 -1.015 1 1 137 . 19 1 1 A 15 15 ASN N N 15 115.400 116.968 -1.568 1 1 139 . 19 1 1 A 16 16 SER H H 16 7.860 7.787 0.073 1 1 140 . 19 1 1 A 16 16 SER HA H 16 4.250 4.122 0.128 1 1 143 . 19 1 1 A 16 16 SER CA C 16 61.400 62.239 -0.839 1 1 144 . 19 1 1 A 16 16 SER CB C 16 62.100 63.255 -1.155 1 1 145 . 19 1 1 A 16 16 SER N N 16 117.600 115.573 2.027 1 1 146 . 19 1 1 A 17 17 TYR H H 17 7.740 7.164 0.576 1 1 147 . 19 1 1 A 17 17 TYR HA H 17 3.900 4.270 -0.370 1 1 154 . 19 1 1 A 17 17 TYR CA C 17 63.500 60.914 2.586 1 1 155 . 19 1 1 A 17 17 TYR CB C 17 35.600 37.917 -2.317 1 1 158 . 19 1 1 A 17 17 TYR N N 17 120.700 119.441 1.259 1 1 159 . 19 1 1 A 18 18 ILE H H 18 8.660 8.110 0.550 1 1 160 . 19 1 1 A 18 18 ILE HA H 18 3.710 3.839 -0.129 1 1 170 . 19 1 1 A 18 18 ILE CA C 18 66.400 65.279 1.121 1 1 171 . 19 1 1 A 18 18 ILE CB C 18 38.300 38.499 -0.199 1 1 175 . 19 1 1 A 18 18 ILE N N 18 121.800 120.582 1.218 1 1 176 . 19 1 1 A 19 19 ALA H H 19 8.010 8.572 -0.562 1 1 177 . 19 1 1 A 19 19 ALA HA H 19 4.220 4.124 0.096 1 1 181 . 19 1 1 A 19 19 ALA CA C 19 55.000 54.856 0.144 1 1 182 . 19 1 1 A 19 19 ALA CB C 19 17.800 18.180 -0.380 1 1 183 . 19 1 1 A 19 19 ALA N N 19 121.900 122.015 -0.115 1 1 184 . 19 1 1 A 20 20 LYS H H 20 7.650 7.527 0.123 1 1 185 . 19 1 1 A 20 20 LYS HA H 20 4.200 4.080 0.120 1 1 194 . 19 1 1 A 20 20 LYS CA C 20 57.900 58.557 -0.657 1 1 195 . 19 1 1 A 20 20 LYS CB C 20 33.000 32.584 0.416 1 1 199 . 19 1 1 A 20 20 LYS N N 20 116.500 118.438 -1.938 1 1 200 . 19 1 1 A 21 21 SER H H 21 8.000 7.475 0.525 1 1 201 . 19 1 1 A 21 21 SER HA H 21 4.460 4.573 -0.113 1 1 204 . 19 1 1 A 21 21 SER CA C 21 60.100 57.292 2.808 1 1 205 . 19 1 1 A 21 21 SER CB C 21 64.700 64.558 0.142 1 1 206 . 19 1 1 A 21 21 SER N N 21 114.400 116.277 -1.877 1 1 207 . 19 1 1 A 22 22 GLU H H 22 7.970 8.844 -0.874 1 1 208 . 19 1 1 A 22 22 GLU HA H 22 4.140 4.213 -0.073 1 1 213 . 19 1 1 A 22 22 GLU CA C 22 57.900 59.034 -1.134 1 1 214 . 19 1 1 A 22 22 GLU CB C 22 27.700 30.088 -2.388 1 1 216 . 19 1 1 A 22 22 GLU N N 22 116.000 124.154 -8.154 1 1 217 . 19 1 1 A 23 23 LYS H H 23 8.070 7.731 0.339 1 1 218 . 19 1 1 A 23 23 LYS HA H 23 4.730 4.322 0.408 1 1 227 . 19 1 1 A 23 23 LYS CA C 23 53.800 56.370 -2.570 1 1 228 . 19 1 1 A 23 23 LYS CB C 23 34.300 33.022 1.278 1 1 232 . 19 1 1 A 23 23 LYS N N 23 119.500 119.742 -0.242 1 1 233 . 19 1 1 A 24 24 THR H H 24 8.690 8.302 0.388 1 1 234 . 19 1 1 A 24 24 THR HA H 24 4.460 4.765 -0.305 1 1 239 . 19 1 1 A 24 24 THR CA C 24 60.200 60.630 -0.430 1 1 240 . 19 1 1 A 24 24 THR CB C 24 71.200 71.611 -0.411 1 1 242 . 19 1 1 A 24 24 THR N N 24 109.900 113.823 -3.923 1 1 243 . 19 1 1 A 25 25 GLN H H 25 8.840 8.974 -0.134 1 1 244 . 19 1 1 A 25 25 GLN HA H 25 3.640 4.070 -0.430 1 1 251 . 19 1 1 A 25 25 GLN CA C 25 59.900 59.079 0.821 1 1 252 . 19 1 1 A 25 25 GLN CB C 25 28.300 28.413 -0.113 1 1 254 . 19 1 1 A 25 25 GLN N N 25 118.500 121.025 -2.525 1 1 256 . 19 1 1 A 26 26 LEU H H 26 7.690 8.334 -0.644 1 1 257 . 19 1 1 A 26 26 LEU HA H 26 3.790 3.929 -0.139 1 1 267 . 19 1 1 A 26 26 LEU CA C 26 57.900 57.706 0.194 1 1 268 . 19 1 1 A 26 26 LEU CB C 26 41.800 41.602 0.198 1 1 272 . 19 1 1 A 26 26 LEU N N 26 116.000 120.680 -4.680 1 1 273 . 19 1 1 A 27 27 GLU H H 27 7.540 7.707 -0.167 1 1 274 . 19 1 1 A 27 27 GLU HA H 27 3.880 4.005 -0.125 1 1 279 . 19 1 1 A 27 27 GLU CA C 27 58.800 59.393 -0.593 1 1 280 . 19 1 1 A 27 27 GLU CB C 27 29.500 29.377 0.123 1 1 282 . 19 1 1 A 27 27 GLU N N 27 118.200 120.152 -1.952 1 1 283 . 19 1 1 A 28 28 ILE H H 28 7.710 8.006 -0.296 1 1 284 . 19 1 1 A 28 28 ILE HA H 28 2.970 3.408 -0.438 1 1 294 . 19 1 1 A 28 28 ILE CA C 28 65.100 65.257 -0.157 1 1 295 . 19 1 1 A 28 28 ILE CB C 28 37.400 37.856 -0.456 1 1 299 . 19 1 1 A 28 28 ILE N N 28 121.400 120.685 0.715 1 1 300 . 19 1 1 A 29 29 ALA H H 29 7.690 8.007 -0.317 1 1 301 . 19 1 1 A 29 29 ALA HA H 29 3.230 3.574 -0.344 1 1 305 . 19 1 1 A 29 29 ALA CA C 29 55.300 55.222 0.078 1 1 306 . 19 1 1 A 29 29 ALA CB C 29 16.300 18.246 -1.946 1 1 307 . 19 1 1 A 29 29 ALA N N 29 120.500 121.501 -1.001 1 1 308 . 19 1 1 A 30 30 LYS H H 30 7.580 7.548 0.032 1 1 309 . 19 1 1 A 30 30 LYS HA H 30 4.050 3.866 0.184 1 1 318 . 19 1 1 A 30 30 LYS CA C 30 58.800 59.278 -0.478 1 1 319 . 19 1 1 A 30 30 LYS CB C 30 32.000 32.137 -0.137 1 1 323 . 19 1 1 A 30 30 LYS N N 30 114.800 118.945 -4.145 1 1 324 . 19 1 1 A 31 31 SER H H 31 7.680 7.799 -0.119 1 1 325 . 19 1 1 A 31 31 SER HA H 31 4.220 4.188 0.032 1 1 328 . 19 1 1 A 31 31 SER CA C 31 62.300 61.645 0.655 1 1 329 . 19 1 1 A 31 31 SER CB C 31 63.300 62.408 0.892 1 1 330 . 19 1 1 A 31 31 SER N N 31 115.800 114.538 1.262 1 1 331 . 19 1 1 A 32 32 ILE H H 32 7.800 7.642 0.158 1 1 332 . 19 1 1 A 32 32 ILE HA H 32 4.400 3.864 0.536 1 1 342 . 19 1 1 A 32 32 ILE CA C 32 60.300 62.994 -2.694 1 1 343 . 19 1 1 A 32 32 ILE CB C 32 37.500 38.569 -1.069 1 1 347 . 19 1 1 A 32 32 ILE N N 32 113.800 117.965 -4.165 1 1 348 . 19 1 1 A 33 33 GLY H H 33 7.880 8.157 -0.277 1 1 349 . 19 1 1 A 33 33 GLY HA2 H 33 3.890 4.010 -0.120 1 1 350 . 19 1 1 A 33 33 GLY HA3 H 33 4.040 4.035 0.005 1 1 351 . 19 1 1 A 33 33 GLY CA C 33 46.800 45.229 1.571 1 1 352 . 19 1 1 A 33 33 GLY N N 33 110.500 108.392 2.108 1 1 353 . 19 1 1 A 34 34 VAL H H 34 7.910 7.853 0.057 1 1 354 . 19 1 1 A 34 34 VAL HA H 34 4.720 4.798 -0.078 1 1 362 . 19 1 1 A 34 34 VAL CA C 34 58.700 59.389 -0.689 1 1 363 . 19 1 1 A 34 34 VAL CB C 34 35.500 34.908 0.592 1 1 366 . 19 1 1 A 34 34 VAL N N 34 113.500 116.622 -3.122 1 1 367 . 19 1 1 A 35 35 SER H H 35 8.650 8.483 0.167 1 1 368 . 19 1 1 A 35 35 SER HA H 35 4.580 4.563 0.017 1 1 371 . 19 1 1 A 35 35 SER CA C 35 55.900 57.308 -1.408 1 1 372 . 19 1 1 A 35 35 SER CB C 35 62.800 62.336 0.464 1 1 373 . 19 1 1 A 35 35 SER N N 35 118.400 119.066 -0.666 1 1 374 . 19 1 1 A 36 36 PRO HA H 36 3.950 4.332 -0.382 1 1 381 . 19 1 1 A 36 36 PRO CA C 36 65.100 64.621 0.479 1 1 382 . 19 1 1 A 36 36 PRO CB C 36 31.500 32.050 -0.550 1 1 385 . 19 1 1 A 37 37 GLN H H 37 8.300 8.148 0.152 1 1 386 . 19 1 1 A 37 37 GLN HA H 37 4.030 4.042 -0.012 1 1 393 . 19 1 1 A 37 37 GLN CA C 37 59.400 58.839 0.561 1 1 394 . 19 1 1 A 37 37 GLN CB C 37 27.400 28.480 -1.080 1 1 396 . 19 1 1 A 37 37 GLN N N 37 117.300 117.683 -0.383 1 1 398 . 19 1 1 A 38 38 THR H H 38 7.790 7.866 -0.076 1 1 399 . 19 1 1 A 38 38 THR HA H 38 3.590 3.785 -0.195 1 1 404 . 19 1 1 A 38 38 THR CA C 38 66.000 66.163 -0.163 1 1 405 . 19 1 1 A 38 38 THR CB C 38 67.900 68.159 -0.259 1 1 407 . 19 1 1 A 38 38 THR N N 38 119.500 117.744 1.756 1 1 408 . 19 1 1 A 39 39 PHE H H 39 8.150 7.985 0.165 1 1 409 . 19 1 1 A 39 39 PHE HA H 39 2.690 3.615 -0.925 1 1 417 . 19 1 1 A 39 39 PHE CA C 39 60.700 61.670 -0.970 1 1 418 . 19 1 1 A 39 39 PHE CB C 39 39.500 39.013 0.487 1 1 422 . 19 1 1 A 39 39 PHE N N 39 123.200 122.115 1.085 1 1 423 . 19 1 1 A 40 40 ASN H H 40 8.270 8.429 -0.159 1 1 424 . 19 1 1 A 40 40 ASN HA H 40 4.410 4.480 -0.070 1 1 429 . 19 1 1 A 40 40 ASN CA C 40 56.800 56.362 0.438 1 1 430 . 19 1 1 A 40 40 ASN CB C 40 38.700 38.877 -0.177 1 1 431 . 19 1 1 A 40 40 ASN N N 40 115.400 116.871 -1.471 1 1 433 . 19 1 1 A 41 41 THR H H 41 7.520 8.041 -0.521 1 1 434 . 19 1 1 A 41 41 THR HA H 41 4.010 4.077 -0.067 1 1 439 . 19 1 1 A 41 41 THR CA C 41 66.000 64.983 1.017 1 1 440 . 19 1 1 A 41 41 THR CB C 41 69.100 68.524 0.576 1 1 442 . 19 1 1 A 41 41 THR N N 41 109.700 113.019 -3.319 1 1 443 . 19 1 1 A 42 42 TRP H H 42 7.190 7.102 0.088 1 1 444 . 19 1 1 A 42 42 TRP HA H 42 5.420 4.725 0.695 1 1 453 . 19 1 1 A 42 42 TRP CA C 42 56.300 59.512 -3.212 1 1 454 . 19 1 1 A 42 42 TRP CB C 42 28.400 29.611 -1.211 1 1 460 . 19 1 1 A 42 42 TRP N N 42 124.000 121.247 2.753 1 1 462 . 19 1 1 A 43 43 CYS H H 43 7.610 8.167 -0.557 1 1 463 . 19 1 1 A 43 43 CYS HA H 43 4.090 4.293 -0.203 1 1 466 . 19 1 1 A 43 43 CYS CA C 43 62.600 61.919 0.681 1 1 467 . 19 1 1 A 43 43 CYS CB C 43 27.600 27.114 0.486 1 1 468 . 19 1 1 A 43 43 CYS N N 43 117.200 119.551 -2.351 1 1 469 . 19 1 1 A 44 44 LYS H H 44 7.870 7.795 0.075 1 1 470 . 19 1 1 A 44 44 LYS HA H 44 4.410 4.385 0.025 1 1 479 . 19 1 1 A 44 44 LYS CA C 44 55.500 56.063 -0.563 1 1 480 . 19 1 1 A 44 44 LYS CB C 44 33.100 33.042 0.058 1 1 484 . 19 1 1 A 44 44 LYS N N 44 115.700 118.380 -2.680 1 1 485 . 19 1 1 A 45 45 GLY H H 45 7.800 8.052 -0.252 1 1 486 . 19 1 1 A 45 45 GLY HA2 H 45 3.980 4.017 -0.037 1 1 487 . 19 1 1 A 45 45 GLY HA3 H 45 4.200 4.083 0.117 1 1 488 . 19 1 1 A 45 45 GLY CA C 45 46.100 46.495 -0.395 1 1 489 . 19 1 1 A 45 45 GLY N N 45 107.200 107.716 -0.516 1 1 490 . 19 1 1 A 46 46 ILE H H 46 7.890 8.412 -0.522 1 1 491 . 19 1 1 A 46 46 ILE HA H 46 4.110 4.036 0.074 1 1 501 . 19 1 1 A 46 46 ILE CA C 46 61.600 63.159 -1.559 1 1 502 . 19 1 1 A 46 46 ILE CB C 46 39.100 38.074 1.026 1 1 506 . 19 1 1 A 46 46 ILE N N 46 115.700 118.051 -2.351 1 1 507 . 19 1 1 A 47 47 ALA H H 47 7.540 7.416 0.124 1 1 508 . 19 1 1 A 47 47 ALA HA H 47 4.590 4.739 -0.149 1 1 512 . 19 1 1 A 47 47 ALA CA C 47 50.700 51.498 -0.798 1 1 513 . 19 1 1 A 47 47 ALA CB C 47 22.600 22.996 -0.396 1 1 514 . 19 1 1 A 47 47 ALA N N 47 121.600 119.041 2.559 1 1 515 . 19 1 1 A 48 48 ILE H H 48 8.260 8.676 -0.416 1 1 516 . 19 1 1 A 48 48 ILE HA H 48 4.080 4.086 -0.006 1 1 526 . 19 1 1 A 48 48 ILE CA C 48 56.600 56.757 -0.157 1 1 527 . 19 1 1 A 48 48 ILE CB C 48 40.800 40.316 0.484 1 1 531 . 19 1 1 A 48 48 ILE N N 48 118.900 119.879 -0.979 1 1 532 . 19 1 1 A 49 49 PRO HA H 49 4.230 4.506 -0.276 1 1 539 . 19 1 1 A 49 49 PRO CA C 49 61.300 61.856 -0.556 1 1 540 . 19 1 1 A 49 49 PRO CB C 49 31.900 32.487 -0.587 1 1 543 . 19 1 1 A 50 50 ARG H H 50 8.130 8.627 -0.497 1 1 544 . 19 1 1 A 50 50 ARG HA H 50 4.170 4.523 -0.353 1 1 551 . 19 1 1 A 50 50 ARG CA C 50 55.600 55.210 0.390 1 1 552 . 19 1 1 A 50 50 ARG CB C 50 30.500 31.223 -0.723 1 1 555 . 19 1 1 A 50 50 ARG N N 50 115.900 120.147 -4.247 1 1 556 . 19 1 1 A 51 51 MET H H 51 8.680 8.904 -0.224 1 1 557 . 19 1 1 A 51 51 MET HA H 51 4.120 4.099 0.021 1 1 565 . 19 1 1 A 51 51 MET CA C 51 57.700 58.078 -0.378 1 1 566 . 19 1 1 A 51 51 MET CB C 51 31.200 32.190 -0.990 1 1 569 . 19 1 1 A 51 51 MET N N 51 120.000 121.534 -1.534 1 1 570 . 19 1 1 A 52 52 GLY HA2 H 52 4.000 3.853 0.147 1 1 571 . 19 1 1 A 52 52 GLY HA3 H 52 3.920 3.854 0.066 1 1 572 . 19 1 1 A 52 52 GLY CA C 52 46.800 47.277 -0.477 1 1 573 . 19 1 1 A 53 53 LYS H H 53 7.520 7.663 -0.143 1 1 574 . 19 1 1 A 53 53 LYS HA H 53 4.450 4.233 0.217 1 1 583 . 19 1 1 A 53 53 LYS CA C 53 56.200 58.428 -2.228 1 1 584 . 19 1 1 A 53 53 LYS CB C 53 32.200 32.053 0.147 1 1 588 . 19 1 1 A 53 53 LYS N N 53 119.900 121.307 -1.407 1 1 589 . 19 1 1 A 54 54 VAL H H 54 7.650 8.231 -0.581 1 1 590 . 19 1 1 A 54 54 VAL HA H 54 3.420 3.490 -0.070 1 1 598 . 19 1 1 A 54 54 VAL CA C 54 67.600 66.700 0.900 1 1 599 . 19 1 1 A 54 54 VAL CB C 54 30.600 31.216 -0.616 1 1 602 . 19 1 1 A 54 54 VAL N N 54 121.300 119.919 1.381 1 1 603 . 19 1 1 A 55 55 GLN H H 55 8.460 8.444 0.016 1 1 604 . 19 1 1 A 55 55 GLN HA H 55 3.790 4.023 -0.233 1 1 611 . 19 1 1 A 55 55 GLN CA C 55 58.000 58.432 -0.432 1 1 612 . 19 1 1 A 55 55 GLN CB C 55 28.200 28.528 -0.328 1 1 614 . 19 1 1 A 55 55 GLN N N 55 118.100 120.936 -2.836 1 1 616 . 19 1 1 A 56 56 ALA H H 56 7.550 7.809 -0.259 1 1 617 . 19 1 1 A 56 56 ALA HA H 56 4.310 4.191 0.119 1 1 621 . 19 1 1 A 56 56 ALA CA C 56 55.100 55.095 0.005 1 1 622 . 19 1 1 A 56 56 ALA CB C 56 18.100 18.156 -0.056 1 1 623 . 19 1 1 A 56 56 ALA N N 56 120.300 122.372 -2.072 1 1 624 . 19 1 1 A 57 57 LEU H H 57 8.170 8.063 0.107 1 1 625 . 19 1 1 A 57 57 LEU HA H 57 3.950 4.072 -0.122 1 1 635 . 19 1 1 A 57 57 LEU CA C 57 57.500 58.189 -0.689 1 1 636 . 19 1 1 A 57 57 LEU CB C 57 43.500 42.114 1.386 1 1 640 . 19 1 1 A 57 57 LEU N N 57 120.100 119.403 0.697 1 1 641 . 19 1 1 A 58 58 ALA H H 58 8.430 8.545 -0.115 1 1 642 . 19 1 1 A 58 58 ALA HA H 58 3.820 4.187 -0.367 1 1 646 . 19 1 1 A 58 58 ALA CA C 58 54.600 55.774 -1.174 1 1 647 . 19 1 1 A 58 58 ALA CB C 58 16.400 18.249 -1.849 1 1 648 . 19 1 1 A 58 58 ALA N N 58 122.600 121.292 1.308 1 1 649 . 19 1 1 A 59 59 ASP H H 59 8.790 8.628 0.162 1 1 650 . 19 1 1 A 59 59 ASP HA H 59 4.440 4.429 0.011 1 1 653 . 19 1 1 A 59 59 ASP CA C 59 57.000 57.288 -0.288 1 1 654 . 19 1 1 A 59 59 ASP CB C 59 39.800 41.098 -1.298 1 1 655 . 19 1 1 A 59 59 ASP N N 59 117.900 119.186 -1.286 1 1 656 . 19 1 1 A 60 60 TYR H H 60 8.050 7.931 0.119 1 1 657 . 19 1 1 A 60 60 TYR HA H 60 3.820 4.166 -0.346 1 1 664 . 19 1 1 A 60 60 TYR CA C 60 62.000 61.350 0.650 1 1 665 . 19 1 1 A 60 60 TYR CB C 60 38.200 38.361 -0.161 1 1 668 . 19 1 1 A 60 60 TYR N N 60 122.300 120.578 1.722 1 1 669 . 19 1 1 A 61 61 PHE H H 61 7.860 7.445 0.415 1 1 670 . 19 1 1 A 61 61 PHE HA H 61 4.530 4.493 0.037 1 1 678 . 19 1 1 A 61 61 PHE CA C 61 58.000 57.465 0.535 1 1 679 . 19 1 1 A 61 61 PHE CB C 61 39.800 39.235 0.565 1 1 683 . 19 1 1 A 61 61 PHE N N 61 114.100 114.997 -0.897 1 1 684 . 19 1 1 A 62 62 ASN H H 62 8.040 7.951 0.089 1 1 685 . 19 1 1 A 62 62 ASN HA H 62 4.420 4.335 0.085 1 1 690 . 19 1 1 A 62 62 ASN CA C 62 54.200 54.406 -0.206 1 1 691 . 19 1 1 A 62 62 ASN CB C 62 36.800 37.573 -0.773 1 1 692 . 19 1 1 A 62 62 ASN N N 62 118.100 117.667 0.433 1 1 694 . 19 1 1 A 63 63 ILE H H 63 8.360 7.845 0.515 1 1 695 . 19 1 1 A 63 63 ILE HA H 63 4.710 4.648 0.062 1 1 705 . 19 1 1 A 63 63 ILE CA C 63 59.600 59.030 0.570 1 1 706 . 19 1 1 A 63 63 ILE CB C 63 39.700 40.162 -0.462 1 1 710 . 19 1 1 A 63 63 ILE N N 63 112.700 114.925 -2.225 1 1 711 . 19 1 1 A 64 64 ASN H H 64 8.860 8.606 0.254 1 1 712 . 19 1 1 A 64 64 ASN HA H 64 4.990 5.035 -0.045 1 1 717 . 19 1 1 A 64 64 ASN CA C 64 52.100 52.853 -0.753 1 1 718 . 19 1 1 A 64 64 ASN CB C 64 40.600 40.580 0.020 1 1 719 . 19 1 1 A 64 64 ASN N N 64 117.400 121.505 -4.105 1 1 721 . 19 1 1 A 65 65 LYS H H 65 9.250 8.851 0.399 1 1 722 . 19 1 1 A 65 65 LYS HA H 65 3.720 4.117 -0.397 1 1 731 . 19 1 1 A 65 65 LYS CA C 65 60.900 58.923 1.977 1 1 732 . 19 1 1 A 65 65 LYS CB C 65 31.200 32.081 -0.881 1 1 736 . 19 1 1 A 65 65 LYS N N 65 123.200 123.584 -0.384 1 1 737 . 19 1 1 A 66 66 SER H H 66 8.700 8.058 0.642 1 1 738 . 19 1 1 A 66 66 SER HA H 66 4.050 4.253 -0.203 1 1 741 . 19 1 1 A 66 66 SER CA C 66 61.200 61.118 0.082 1 1 742 . 19 1 1 A 66 66 SER CB C 66 62.200 62.503 -0.303 1 1 743 . 19 1 1 A 66 66 SER N N 66 114.300 115.232 -0.932 1 1 744 . 19 1 1 A 67 67 ASP H H 67 7.510 8.231 -0.721 1 1 745 . 19 1 1 A 67 67 ASP HA H 67 4.500 4.457 0.043 1 1 748 . 19 1 1 A 67 67 ASP CA C 67 56.700 57.022 -0.322 1 1 749 . 19 1 1 A 67 67 ASP CB C 67 41.000 40.273 0.727 1 1 750 . 19 1 1 A 67 67 ASP N N 67 119.800 121.795 -1.995 1 1 751 . 19 1 1 A 68 68 LEU H H 68 7.440 7.487 -0.047 1 1 752 . 19 1 1 A 68 68 LEU HA H 68 4.500 4.268 0.232 1 1 762 . 19 1 1 A 68 68 LEU CA C 68 55.700 55.847 -0.147 1 1 763 . 19 1 1 A 68 68 LEU CB C 68 43.500 42.493 1.007 1 1 767 . 19 1 1 A 68 68 LEU N N 68 113.800 117.624 -3.824 1 1 768 . 19 1 1 A 69 69 ILE H H 69 7.500 7.421 0.079 1 1 769 . 19 1 1 A 69 69 ILE HA H 69 4.390 4.250 0.140 1 1 779 . 19 1 1 A 69 69 ILE CA C 69 61.700 62.763 -1.063 1 1 780 . 19 1 1 A 69 69 ILE CB C 69 39.600 39.341 0.259 1 1 784 . 19 1 1 A 69 69 ILE N N 69 112.800 116.290 -3.490 1 1 785 . 19 1 1 A 70 70 GLU H H 70 7.680 8.489 -0.809 1 1 786 . 19 1 1 A 70 70 GLU HA H 70 4.500 4.445 0.055 1 1 791 . 19 1 1 A 70 70 GLU CA C 70 55.200 56.516 -1.316 1 1 792 . 19 1 1 A 70 70 GLU CB C 70 30.800 30.794 0.006 1 1 794 . 19 1 1 A 70 70 GLU N N 70 118.300 120.122 -1.822 1 1 795 . 19 1 1 A 71 71 ASP H H 71 8.660 8.603 0.057 1 1 796 . 19 1 1 A 71 71 ASP HA H 71 4.640 4.764 -0.124 1 1 799 . 19 1 1 A 71 71 ASP CA C 71 53.400 52.499 0.901 1 1 800 . 19 1 1 A 71 71 ASP CB C 71 40.800 42.796 -1.996 1 1 801 . 19 1 1 A 71 71 ASP N N 71 121.100 122.033 -0.933 1 1 802 . 19 1 1 A 72 72 LYS H H 72 8.980 8.858 0.122 1 1 803 . 19 1 1 A 72 72 LYS HA H 72 4.270 4.061 0.209 1 1 812 . 19 1 1 A 72 72 LYS CA C 72 56.400 57.670 -1.270 1 1 813 . 19 1 1 A 72 72 LYS CB C 72 32.400 32.226 0.174 1 1 817 . 19 1 1 A 72 72 LYS N N 72 126.200 123.431 2.769 1 1 818 . 19 1 1 A 73 73 LYS H H 73 8.460 8.101 0.359 1 1 819 . 19 1 1 A 73 73 LYS HA H 73 4.180 4.403 -0.223 1 1 828 . 19 1 1 A 73 73 LYS CA C 73 56.500 55.695 0.805 1 1 829 . 19 1 1 A 73 73 LYS CB C 73 31.600 32.548 -0.948 1 1 833 . 19 1 1 A 73 73 LYS N N 73 120.300 118.632 1.668 1 1 834 . 19 1 1 A 74 74 LEU H H 74 7.910 7.311 0.599 1 1 835 . 19 1 1 A 74 74 LEU HA H 74 4.260 4.473 -0.213 1 1 845 . 19 1 1 A 74 74 LEU CA C 74 55.000 54.236 0.764 1 1 846 . 19 1 1 A 74 74 LEU CB C 74 42.200 40.228 1.972 1 1 850 . 19 1 1 A 74 74 LEU N N 74 120.900 122.056 -1.156 1 1 851 . 19 1 1 A 75 75 ASN H H 75 8.320 8.685 -0.365 1 1 852 . 19 1 1 A 75 75 ASN HA H 75 4.710 5.372 -0.662 1 1 857 . 19 1 1 A 75 75 ASN CA C 75 53.000 51.765 1.235 1 1 858 . 19 1 1 A 75 75 ASN CB C 75 38.700 41.299 -2.599 1 1 859 . 19 1 1 A 75 75 ASN N N 75 119.300 123.549 -4.249 1 1 861 . 19 1 1 A 76 76 ILE H H 76 8.010 8.966 -0.956 1 1 862 . 19 1 1 A 76 76 ILE HA H 76 4.180 4.137 0.043 1 1 872 . 19 1 1 A 76 76 ILE CA C 76 61.000 61.785 -0.785 1 1 873 . 19 1 1 A 76 76 ILE CB C 76 38.700 37.564 1.136 1 1 877 . 19 1 1 A 76 76 ILE N N 76 120.200 126.626 -6.426 1 1 878 . 19 1 1 A 77 77 ASP H H 77 8.390 8.753 -0.363 1 1 879 . 19 1 1 A 77 77 ASP HA H 77 4.660 4.920 -0.260 1 1 882 . 19 1 1 A 77 77 ASP CA C 77 54.200 53.178 1.022 1 1 883 . 19 1 1 A 77 77 ASP CB C 77 41.100 42.590 -1.490 1 1 884 . 19 1 1 A 77 77 ASP N N 77 123.500 129.208 -5.708 1 1 885 . 19 1 1 A 78 78 THR H H 78 8.010 7.518 0.492 1 1 886 . 19 1 1 A 78 78 THR HA H 78 4.310 4.828 -0.518 1 1 891 . 19 1 1 A 78 78 THR CA C 78 61.600 60.468 1.132 1 1 892 . 19 1 1 A 78 78 THR CB C 78 69.700 71.297 -1.597 1 1 894 . 19 1 1 A 78 78 THR N N 78 114.200 111.814 2.386 1 1 895 . 19 1 1 A 79 79 VAL H H 79 8.090 8.674 -0.584 1 1 896 . 19 1 1 A 79 79 VAL HA H 79 4.390 4.619 -0.229 1 1 904 . 19 1 1 A 79 79 VAL CA C 79 59.900 59.325 0.575 1 1 905 . 19 1 1 A 79 79 VAL CB C 79 32.400 31.943 0.457 1 1 908 . 19 1 1 A 79 79 VAL N N 79 124.000 120.494 3.506 1 1 909 . 19 1 1 A 80 80 PRO HA H 80 4.420 4.750 -0.330 1 1 916 . 19 1 1 A 80 80 PRO CA C 80 62.900 62.428 0.472 1 1 917 . 19 1 1 A 80 80 PRO CB C 80 31.900 31.745 0.155 1 1 920 . 19 1 1 A 81 81 ILE H H 81 8.210 8.389 -0.179 1 1 921 . 19 1 1 A 81 81 ILE HA H 81 4.110 4.152 -0.042 1 1 931 . 19 1 1 A 81 81 ILE CA C 81 61.200 61.144 0.056 1 1 932 . 19 1 1 A 81 81 ILE CB C 81 38.600 38.308 0.292 1 1 936 . 19 1 1 A 81 81 ILE N N 81 121.300 124.002 -2.702 1 1 937 . 19 1 1 A 82 82 GLU H H 82 8.510 8.515 -0.005 1 1 938 . 19 1 1 A 82 82 GLU HA H 82 4.300 4.210 0.090 1 1 943 . 19 1 1 A 82 82 GLU CA C 82 56.300 56.834 -0.534 1 1 944 . 19 1 1 A 82 82 GLU CB C 82 30.000 29.749 0.251 1 1 946 . 19 1 1 A 82 82 GLU N N 82 124.600 125.412 -0.812 1 1 947 . 19 1 1 A 83 83 SER H H 83 8.330 8.794 -0.464 1 1 948 . 19 1 1 A 83 83 SER HA H 83 4.400 5.007 -0.607 1 1 951 . 19 1 1 A 83 83 SER CA C 83 58.500 57.642 0.858 1 1 952 . 19 1 1 A 83 83 SER CB C 83 63.600 67.240 -3.640 1 1 953 . 19 1 1 A 83 83 SER N N 83 116.900 118.968 -2.068 1 1 954 . 19 1 1 A 84 84 GLY H H 84 8.400 8.348 0.052 1 1 955 . 19 1 1 A 84 84 GLY HA2 H 84 3.900 4.350 -0.450 1 1 956 . 19 1 1 A 84 84 GLY HA3 H 84 3.900 4.405 -0.505 1 1 957 . 19 1 1 A 84 84 GLY CA C 84 45.300 45.117 0.183 1 1 958 . 19 1 1 A 84 84 GLY N N 84 110.400 109.617 0.783 1 1 959 . 19 1 1 A 85 85 TYR H H 85 8.000 8.677 -0.677 1 1 960 . 19 1 1 A 85 85 TYR HA H 85 4.600 5.477 -0.877 1 1 967 . 19 1 1 A 85 85 TYR CA C 85 57.900 56.127 1.773 1 1 968 . 19 1 1 A 85 85 TYR CB C 85 38.700 41.947 -3.247 1 1 971 . 19 1 1 A 85 85 TYR N N 85 120.000 116.058 3.942 1 1 972 . 19 1 1 A 86 86 THR H H 86 8.070 8.969 -0.899 1 1 973 . 19 1 1 A 86 86 THR HA H 86 4.280 4.711 -0.431 1 1 978 . 19 1 1 A 86 86 THR CA C 86 61.600 61.346 0.254 1 1 979 . 19 1 1 A 86 86 THR CB C 86 69.700 69.700 0.000 1 1 1 . 20 1 1 A 4 4 ASP H H 4 8.270 8.474 -0.204 1 1 2 . 20 1 1 A 4 4 ASP HA H 4 4.550 4.390 0.160 1 1 5 . 20 1 1 A 4 4 ASP CA C 4 54.700 54.972 -0.272 1 1 6 . 20 1 1 A 4 4 ASP CB C 4 41.400 39.337 2.063 1 1 7 . 20 1 1 A 4 4 ASP N N 4 121.200 111.525 9.675 1 1 8 . 20 1 1 A 5 5 LYS HA H 5 4.160 3.987 0.173 1 1 13 . 20 1 1 A 5 5 LYS CA C 5 58.300 59.481 -1.181 1 1 14 . 20 1 1 A 5 5 LYS CB C 5 32.400 32.313 0.087 1 1 16 . 20 1 1 A 6 6 GLN H H 6 8.170 8.297 -0.127 1 1 17 . 20 1 1 A 6 6 GLN HA H 6 4.090 4.027 0.063 1 1 24 . 20 1 1 A 6 6 GLN CA C 6 59.000 59.141 -0.141 1 1 25 . 20 1 1 A 6 6 GLN CB C 6 28.500 28.114 0.386 1 1 27 . 20 1 1 A 6 6 GLN N N 6 117.400 119.338 -1.938 1 1 29 . 20 1 1 A 7 7 LYS H H 7 7.970 7.821 0.149 1 1 30 . 20 1 1 A 7 7 LYS HA H 7 4.030 4.111 -0.081 1 1 39 . 20 1 1 A 7 7 LYS CA C 7 59.500 59.068 0.432 1 1 40 . 20 1 1 A 7 7 LYS CB C 7 32.500 32.351 0.149 1 1 44 . 20 1 1 A 7 7 LYS N N 7 119.400 119.121 0.279 1 1 45 . 20 1 1 A 8 8 ALA H H 8 7.980 7.283 0.697 1 1 46 . 20 1 1 A 8 8 ALA HA H 8 4.110 4.051 0.059 1 1 50 . 20 1 1 A 8 8 ALA CA C 8 55.000 54.968 0.032 1 1 51 . 20 1 1 A 8 8 ALA CB C 8 18.100 18.132 -0.032 1 1 52 . 20 1 1 A 8 8 ALA N N 8 123.300 120.441 2.859 1 1 53 . 20 1 1 A 9 9 ILE H H 9 8.070 8.455 -0.385 1 1 54 . 20 1 1 A 9 9 ILE HA H 9 3.760 3.735 0.025 1 1 64 . 20 1 1 A 9 9 ILE CA C 9 63.800 65.017 -1.217 1 1 65 . 20 1 1 A 9 9 ILE CB C 9 38.900 37.610 1.290 1 1 69 . 20 1 1 A 9 9 ILE N N 9 119.200 119.655 -0.455 1 1 70 . 20 1 1 A 10 10 PHE H H 10 8.020 8.356 -0.336 1 1 71 . 20 1 1 A 10 10 PHE HA H 10 4.720 4.023 0.697 1 1 79 . 20 1 1 A 10 10 PHE CA C 10 60.400 62.126 -1.726 1 1 80 . 20 1 1 A 10 10 PHE CB C 10 39.400 39.245 0.155 1 1 84 . 20 1 1 A 10 10 PHE N N 10 118.900 121.153 -2.253 1 1 85 . 20 1 1 A 11 11 SER H H 11 8.420 8.286 0.134 1 1 86 . 20 1 1 A 11 11 SER HA H 11 3.890 3.962 -0.072 1 1 89 . 20 1 1 A 11 11 SER CA C 11 62.000 61.739 0.261 1 1 90 . 20 1 1 A 11 11 SER CB C 11 62.800 63.076 -0.276 1 1 91 . 20 1 1 A 11 11 SER N N 11 112.700 114.108 -1.408 1 1 92 . 20 1 1 A 12 12 GLU H H 12 8.050 8.704 -0.654 1 1 93 . 20 1 1 A 12 12 GLU HA H 12 4.130 3.984 0.146 1 1 98 . 20 1 1 A 12 12 GLU CA C 12 59.400 59.554 -0.154 1 1 99 . 20 1 1 A 12 12 GLU CB C 12 29.100 29.073 0.027 1 1 101 . 20 1 1 A 12 12 GLU N N 12 123.000 121.086 1.914 1 1 102 . 20 1 1 A 13 13 ASN H H 13 8.390 8.279 0.111 1 1 103 . 20 1 1 A 13 13 ASN HA H 13 4.470 4.302 0.168 1 1 108 . 20 1 1 A 13 13 ASN CA C 13 55.700 56.425 -0.725 1 1 109 . 20 1 1 A 13 13 ASN CB C 13 37.900 38.828 -0.928 1 1 110 . 20 1 1 A 13 13 ASN N N 13 119.100 118.572 0.528 1 1 112 . 20 1 1 A 14 14 LEU H H 14 9.170 7.761 1.409 1 1 113 . 20 1 1 A 14 14 LEU HA H 14 3.860 4.108 -0.248 1 1 123 . 20 1 1 A 14 14 LEU CA C 14 58.800 57.743 1.057 1 1 124 . 20 1 1 A 14 14 LEU CB C 14 41.100 41.317 -0.217 1 1 128 . 20 1 1 A 14 14 LEU N N 14 122.200 120.254 1.946 1 1 129 . 20 1 1 A 15 15 ASN H H 15 8.700 8.236 0.464 1 1 130 . 20 1 1 A 15 15 ASN HA H 15 4.520 4.443 0.077 1 1 135 . 20 1 1 A 15 15 ASN CA C 15 56.600 56.538 0.062 1 1 136 . 20 1 1 A 15 15 ASN CB C 15 37.900 39.744 -1.844 1 1 137 . 20 1 1 A 15 15 ASN N N 15 115.400 118.032 -2.632 1 1 139 . 20 1 1 A 16 16 SER H H 16 7.860 7.746 0.114 1 1 140 . 20 1 1 A 16 16 SER HA H 16 4.250 4.148 0.102 1 1 143 . 20 1 1 A 16 16 SER CA C 16 61.400 61.855 -0.455 1 1 144 . 20 1 1 A 16 16 SER CB C 16 62.100 63.138 -1.038 1 1 145 . 20 1 1 A 16 16 SER N N 16 117.600 116.405 1.195 1 1 146 . 20 1 1 A 17 17 TYR H H 17 7.740 7.192 0.548 1 1 147 . 20 1 1 A 17 17 TYR HA H 17 3.900 4.281 -0.381 1 1 154 . 20 1 1 A 17 17 TYR CA C 17 63.500 61.292 2.208 1 1 155 . 20 1 1 A 17 17 TYR CB C 17 35.600 37.764 -2.164 1 1 158 . 20 1 1 A 17 17 TYR N N 17 120.700 119.771 0.929 1 1 159 . 20 1 1 A 18 18 ILE H H 18 8.660 8.047 0.613 1 1 160 . 20 1 1 A 18 18 ILE HA H 18 3.710 3.737 -0.027 1 1 170 . 20 1 1 A 18 18 ILE CA C 18 66.400 65.441 0.959 1 1 171 . 20 1 1 A 18 18 ILE CB C 18 38.300 38.350 -0.050 1 1 175 . 20 1 1 A 18 18 ILE N N 18 121.800 120.410 1.390 1 1 176 . 20 1 1 A 19 19 ALA H H 19 8.010 8.284 -0.274 1 1 177 . 20 1 1 A 19 19 ALA HA H 19 4.220 4.095 0.125 1 1 181 . 20 1 1 A 19 19 ALA CA C 19 55.000 55.000 0.000 1 1 182 . 20 1 1 A 19 19 ALA CB C 19 17.800 18.115 -0.315 1 1 183 . 20 1 1 A 19 19 ALA N N 19 121.900 121.850 0.050 1 1 184 . 20 1 1 A 20 20 LYS H H 20 7.650 7.603 0.047 1 1 185 . 20 1 1 A 20 20 LYS HA H 20 4.200 4.084 0.116 1 1 194 . 20 1 1 A 20 20 LYS CA C 20 57.900 58.712 -0.812 1 1 195 . 20 1 1 A 20 20 LYS CB C 20 33.000 32.331 0.669 1 1 199 . 20 1 1 A 20 20 LYS N N 20 116.500 118.642 -2.142 1 1 200 . 20 1 1 A 21 21 SER H H 21 8.000 7.583 0.417 1 1 201 . 20 1 1 A 21 21 SER HA H 21 4.460 4.437 0.023 1 1 204 . 20 1 1 A 21 21 SER CA C 21 60.100 59.834 0.266 1 1 205 . 20 1 1 A 21 21 SER CB C 21 64.700 64.084 0.616 1 1 206 . 20 1 1 A 21 21 SER N N 21 114.400 115.019 -0.619 1 1 207 . 20 1 1 A 22 22 GLU H H 22 7.970 8.946 -0.976 1 1 208 . 20 1 1 A 22 22 GLU HA H 22 4.140 4.265 -0.125 1 1 213 . 20 1 1 A 22 22 GLU CA C 22 57.900 58.330 -0.430 1 1 214 . 20 1 1 A 22 22 GLU CB C 22 27.700 30.241 -2.541 1 1 216 . 20 1 1 A 22 22 GLU N N 22 116.000 124.275 -8.275 1 1 217 . 20 1 1 A 23 23 LYS H H 23 8.070 7.710 0.360 1 1 218 . 20 1 1 A 23 23 LYS HA H 23 4.730 4.318 0.412 1 1 227 . 20 1 1 A 23 23 LYS CA C 23 53.800 56.561 -2.761 1 1 228 . 20 1 1 A 23 23 LYS CB C 23 34.300 32.875 1.425 1 1 232 . 20 1 1 A 23 23 LYS N N 23 119.500 118.556 0.944 1 1 233 . 20 1 1 A 24 24 THR H H 24 8.690 8.651 0.039 1 1 234 . 20 1 1 A 24 24 THR HA H 24 4.460 4.744 -0.284 1 1 239 . 20 1 1 A 24 24 THR CA C 24 60.200 60.733 -0.533 1 1 240 . 20 1 1 A 24 24 THR CB C 24 71.200 71.578 -0.378 1 1 242 . 20 1 1 A 24 24 THR N N 24 109.900 115.360 -5.460 1 1 243 . 20 1 1 A 25 25 GLN H H 25 8.840 8.954 -0.114 1 1 244 . 20 1 1 A 25 25 GLN HA H 25 3.640 4.018 -0.378 1 1 251 . 20 1 1 A 25 25 GLN CA C 25 59.900 59.039 0.861 1 1 252 . 20 1 1 A 25 25 GLN CB C 25 28.300 28.428 -0.128 1 1 254 . 20 1 1 A 25 25 GLN N N 25 118.500 121.180 -2.680 1 1 256 . 20 1 1 A 26 26 LEU H H 26 7.690 7.974 -0.284 1 1 257 . 20 1 1 A 26 26 LEU HA H 26 3.790 3.929 -0.139 1 1 267 . 20 1 1 A 26 26 LEU CA C 26 57.900 57.871 0.029 1 1 268 . 20 1 1 A 26 26 LEU CB C 26 41.800 41.748 0.052 1 1 272 . 20 1 1 A 26 26 LEU N N 26 116.000 121.370 -5.370 1 1 273 . 20 1 1 A 27 27 GLU H H 27 7.540 7.739 -0.199 1 1 274 . 20 1 1 A 27 27 GLU HA H 27 3.880 3.935 -0.055 1 1 279 . 20 1 1 A 27 27 GLU CA C 27 58.800 59.084 -0.284 1 1 280 . 20 1 1 A 27 27 GLU CB C 27 29.500 29.492 0.008 1 1 282 . 20 1 1 A 27 27 GLU N N 27 118.200 117.734 0.466 1 1 283 . 20 1 1 A 28 28 ILE H H 28 7.710 7.815 -0.105 1 1 284 . 20 1 1 A 28 28 ILE HA H 28 2.970 3.213 -0.243 1 1 294 . 20 1 1 A 28 28 ILE CA C 28 65.100 65.176 -0.076 1 1 295 . 20 1 1 A 28 28 ILE CB C 28 37.400 38.408 -1.008 1 1 299 . 20 1 1 A 28 28 ILE N N 28 121.400 121.182 0.218 1 1 300 . 20 1 1 A 29 29 ALA H H 29 7.690 7.743 -0.053 1 1 301 . 20 1 1 A 29 29 ALA HA H 29 3.230 3.723 -0.493 1 1 305 . 20 1 1 A 29 29 ALA CA C 29 55.300 55.079 0.221 1 1 306 . 20 1 1 A 29 29 ALA CB C 29 16.300 18.146 -1.846 1 1 307 . 20 1 1 A 29 29 ALA N N 29 120.500 121.402 -0.902 1 1 308 . 20 1 1 A 30 30 LYS H H 30 7.580 8.274 -0.694 1 1 309 . 20 1 1 A 30 30 LYS HA H 30 4.050 3.900 0.150 1 1 318 . 20 1 1 A 30 30 LYS CA C 30 58.800 59.389 -0.589 1 1 319 . 20 1 1 A 30 30 LYS CB C 30 32.000 32.222 -0.222 1 1 323 . 20 1 1 A 30 30 LYS N N 30 114.800 119.320 -4.520 1 1 324 . 20 1 1 A 31 31 SER H H 31 7.680 7.466 0.214 1 1 325 . 20 1 1 A 31 31 SER HA H 31 4.220 4.241 -0.021 1 1 328 . 20 1 1 A 31 31 SER CA C 31 62.300 60.987 1.313 1 1 329 . 20 1 1 A 31 31 SER CB C 31 63.300 63.098 0.202 1 1 330 . 20 1 1 A 31 31 SER N N 31 115.800 113.639 2.161 1 1 331 . 20 1 1 A 32 32 ILE H H 32 7.800 7.085 0.715 1 1 332 . 20 1 1 A 32 32 ILE HA H 32 4.400 4.028 0.372 1 1 342 . 20 1 1 A 32 32 ILE CA C 32 60.300 62.854 -2.554 1 1 343 . 20 1 1 A 32 32 ILE CB C 32 37.500 38.574 -1.074 1 1 347 . 20 1 1 A 32 32 ILE N N 32 113.800 118.374 -4.574 1 1 348 . 20 1 1 A 33 33 GLY H H 33 7.880 8.456 -0.576 1 1 349 . 20 1 1 A 33 33 GLY HA2 H 33 3.890 4.075 -0.185 1 1 350 . 20 1 1 A 33 33 GLY HA3 H 33 4.040 4.093 -0.053 1 1 351 . 20 1 1 A 33 33 GLY CA C 33 46.800 44.852 1.948 1 1 352 . 20 1 1 A 33 33 GLY N N 33 110.500 108.645 1.855 1 1 353 . 20 1 1 A 34 34 VAL H H 34 7.910 7.378 0.532 1 1 354 . 20 1 1 A 34 34 VAL HA H 34 4.720 4.448 0.272 1 1 362 . 20 1 1 A 34 34 VAL CA C 34 58.700 60.302 -1.602 1 1 363 . 20 1 1 A 34 34 VAL CB C 34 35.500 33.529 1.971 1 1 366 . 20 1 1 A 34 34 VAL N N 34 113.500 118.682 -5.182 1 1 367 . 20 1 1 A 35 35 SER H H 35 8.650 8.567 0.083 1 1 368 . 20 1 1 A 35 35 SER HA H 35 4.580 4.594 -0.014 1 1 371 . 20 1 1 A 35 35 SER CA C 35 55.900 57.364 -1.464 1 1 372 . 20 1 1 A 35 35 SER CB C 35 62.800 62.061 0.739 1 1 373 . 20 1 1 A 35 35 SER N N 35 118.400 119.187 -0.787 1 1 374 . 20 1 1 A 36 36 PRO HA H 36 3.950 4.252 -0.302 1 1 381 . 20 1 1 A 36 36 PRO CA C 36 65.100 65.509 -0.409 1 1 382 . 20 1 1 A 36 36 PRO CB C 36 31.500 31.949 -0.449 1 1 385 . 20 1 1 A 37 37 GLN H H 37 8.300 8.245 0.055 1 1 386 . 20 1 1 A 37 37 GLN HA H 37 4.030 4.020 0.010 1 1 393 . 20 1 1 A 37 37 GLN CA C 37 59.400 58.544 0.856 1 1 394 . 20 1 1 A 37 37 GLN CB C 37 27.400 28.170 -0.770 1 1 396 . 20 1 1 A 37 37 GLN N N 37 117.300 117.207 0.093 1 1 398 . 20 1 1 A 38 38 THR H H 38 7.790 7.781 0.009 1 1 399 . 20 1 1 A 38 38 THR HA H 38 3.590 3.720 -0.130 1 1 404 . 20 1 1 A 38 38 THR CA C 38 66.000 66.251 -0.251 1 1 405 . 20 1 1 A 38 38 THR CB C 38 67.900 68.149 -0.249 1 1 407 . 20 1 1 A 38 38 THR N N 38 119.500 117.854 1.646 1 1 408 . 20 1 1 A 39 39 PHE H H 39 8.150 7.868 0.282 1 1 409 . 20 1 1 A 39 39 PHE HA H 39 2.690 3.447 -0.757 1 1 417 . 20 1 1 A 39 39 PHE CA C 39 60.700 61.306 -0.606 1 1 418 . 20 1 1 A 39 39 PHE CB C 39 39.500 38.910 0.590 1 1 422 . 20 1 1 A 39 39 PHE N N 39 123.200 121.270 1.930 1 1 423 . 20 1 1 A 40 40 ASN H H 40 8.270 8.290 -0.020 1 1 424 . 20 1 1 A 40 40 ASN HA H 40 4.410 4.424 -0.014 1 1 429 . 20 1 1 A 40 40 ASN CA C 40 56.800 56.372 0.428 1 1 430 . 20 1 1 A 40 40 ASN CB C 40 38.700 39.031 -0.331 1 1 431 . 20 1 1 A 40 40 ASN N N 40 115.400 116.881 -1.481 1 1 433 . 20 1 1 A 41 41 THR H H 41 7.520 7.615 -0.095 1 1 434 . 20 1 1 A 41 41 THR HA H 41 4.010 4.024 -0.014 1 1 439 . 20 1 1 A 41 41 THR CA C 41 66.000 65.405 0.595 1 1 440 . 20 1 1 A 41 41 THR CB C 41 69.100 68.262 0.838 1 1 442 . 20 1 1 A 41 41 THR N N 41 109.700 113.101 -3.401 1 1 443 . 20 1 1 A 42 42 TRP H H 42 7.190 6.707 0.483 1 1 444 . 20 1 1 A 42 42 TRP HA H 42 5.420 4.492 0.928 1 1 453 . 20 1 1 A 42 42 TRP CA C 42 56.300 59.790 -3.490 1 1 454 . 20 1 1 A 42 42 TRP CB C 42 28.400 29.352 -0.952 1 1 460 . 20 1 1 A 42 42 TRP N N 42 124.000 121.298 2.702 1 1 462 . 20 1 1 A 43 43 CYS H H 43 7.610 7.963 -0.353 1 1 463 . 20 1 1 A 43 43 CYS HA H 43 4.090 4.065 0.025 1 1 466 . 20 1 1 A 43 43 CYS CA C 43 62.600 62.509 0.091 1 1 467 . 20 1 1 A 43 43 CYS CB C 43 27.600 26.747 0.853 1 1 468 . 20 1 1 A 43 43 CYS N N 43 117.200 119.284 -2.084 1 1 469 . 20 1 1 A 44 44 LYS H H 44 7.870 8.115 -0.245 1 1 470 . 20 1 1 A 44 44 LYS HA H 44 4.410 4.368 0.042 1 1 479 . 20 1 1 A 44 44 LYS CA C 44 55.500 56.797 -1.297 1 1 480 . 20 1 1 A 44 44 LYS CB C 44 33.100 32.998 0.102 1 1 484 . 20 1 1 A 44 44 LYS N N 44 115.700 119.090 -3.390 1 1 485 . 20 1 1 A 45 45 GLY H H 45 7.800 7.838 -0.038 1 1 486 . 20 1 1 A 45 45 GLY HA2 H 45 3.980 4.001 -0.021 1 1 487 . 20 1 1 A 45 45 GLY HA3 H 45 4.200 4.079 0.121 1 1 488 . 20 1 1 A 45 45 GLY CA C 45 46.100 46.722 -0.622 1 1 489 . 20 1 1 A 45 45 GLY N N 45 107.200 107.291 -0.091 1 1 490 . 20 1 1 A 46 46 ILE H H 46 7.890 8.756 -0.866 1 1 491 . 20 1 1 A 46 46 ILE HA H 46 4.110 4.050 0.060 1 1 501 . 20 1 1 A 46 46 ILE CA C 46 61.600 63.281 -1.681 1 1 502 . 20 1 1 A 46 46 ILE CB C 46 39.100 38.087 1.013 1 1 506 . 20 1 1 A 46 46 ILE N N 46 115.700 117.442 -1.742 1 1 507 . 20 1 1 A 47 47 ALA H H 47 7.540 7.288 0.252 1 1 508 . 20 1 1 A 47 47 ALA HA H 47 4.590 4.708 -0.118 1 1 512 . 20 1 1 A 47 47 ALA CA C 47 50.700 51.455 -0.755 1 1 513 . 20 1 1 A 47 47 ALA CB C 47 22.600 23.043 -0.443 1 1 514 . 20 1 1 A 47 47 ALA N N 47 121.600 119.020 2.580 1 1 515 . 20 1 1 A 48 48 ILE H H 48 8.260 8.771 -0.511 1 1 516 . 20 1 1 A 48 48 ILE HA H 48 4.080 4.337 -0.257 1 1 526 . 20 1 1 A 48 48 ILE CA C 48 56.600 57.235 -0.635 1 1 527 . 20 1 1 A 48 48 ILE CB C 48 40.800 38.602 2.198 1 1 531 . 20 1 1 A 48 48 ILE N N 48 118.900 120.021 -1.121 1 1 532 . 20 1 1 A 49 49 PRO HA H 49 4.230 4.577 -0.347 1 1 539 . 20 1 1 A 49 49 PRO CA C 49 61.300 61.942 -0.642 1 1 540 . 20 1 1 A 49 49 PRO CB C 49 31.900 32.150 -0.250 1 1 543 . 20 1 1 A 50 50 ARG H H 50 8.130 8.673 -0.543 1 1 544 . 20 1 1 A 50 50 ARG HA H 50 4.170 4.445 -0.275 1 1 551 . 20 1 1 A 50 50 ARG CA C 50 55.600 55.551 0.049 1 1 552 . 20 1 1 A 50 50 ARG CB C 50 30.500 31.003 -0.503 1 1 555 . 20 1 1 A 50 50 ARG N N 50 115.900 120.533 -4.633 1 1 556 . 20 1 1 A 51 51 MET H H 51 8.680 8.912 -0.232 1 1 557 . 20 1 1 A 51 51 MET HA H 51 4.120 4.081 0.039 1 1 565 . 20 1 1 A 51 51 MET CA C 51 57.700 58.068 -0.368 1 1 566 . 20 1 1 A 51 51 MET CB C 51 31.200 32.184 -0.984 1 1 569 . 20 1 1 A 51 51 MET N N 51 120.000 121.551 -1.551 1 1 570 . 20 1 1 A 52 52 GLY HA2 H 52 4.000 3.836 0.164 1 1 571 . 20 1 1 A 52 52 GLY HA3 H 52 3.920 3.839 0.081 1 1 572 . 20 1 1 A 52 52 GLY CA C 52 46.800 47.089 -0.289 1 1 573 . 20 1 1 A 53 53 LYS H H 53 7.520 7.799 -0.279 1 1 574 . 20 1 1 A 53 53 LYS HA H 53 4.450 4.182 0.268 1 1 583 . 20 1 1 A 53 53 LYS CA C 53 56.200 58.907 -2.707 1 1 584 . 20 1 1 A 53 53 LYS CB C 53 32.200 32.256 -0.056 1 1 588 . 20 1 1 A 53 53 LYS N N 53 119.900 122.387 -2.487 1 1 589 . 20 1 1 A 54 54 VAL H H 54 7.650 8.076 -0.426 1 1 590 . 20 1 1 A 54 54 VAL HA H 54 3.420 3.439 -0.019 1 1 598 . 20 1 1 A 54 54 VAL CA C 54 67.600 66.665 0.935 1 1 599 . 20 1 1 A 54 54 VAL CB C 54 30.600 31.257 -0.657 1 1 602 . 20 1 1 A 54 54 VAL N N 54 121.300 120.341 0.959 1 1 603 . 20 1 1 A 55 55 GLN H H 55 8.460 8.372 0.088 1 1 604 . 20 1 1 A 55 55 GLN HA H 55 3.790 3.928 -0.138 1 1 611 . 20 1 1 A 55 55 GLN CA C 55 58.000 58.544 -0.544 1 1 612 . 20 1 1 A 55 55 GLN CB C 55 28.200 28.520 -0.320 1 1 614 . 20 1 1 A 55 55 GLN N N 55 118.100 120.592 -2.492 1 1 616 . 20 1 1 A 56 56 ALA H H 56 7.550 7.463 0.087 1 1 617 . 20 1 1 A 56 56 ALA HA H 56 4.310 4.142 0.168 1 1 621 . 20 1 1 A 56 56 ALA CA C 56 55.100 55.061 0.039 1 1 622 . 20 1 1 A 56 56 ALA CB C 56 18.100 18.051 0.049 1 1 623 . 20 1 1 A 56 56 ALA N N 56 120.300 122.382 -2.082 1 1 624 . 20 1 1 A 57 57 LEU H H 57 8.170 8.186 -0.016 1 1 625 . 20 1 1 A 57 57 LEU HA H 57 3.950 4.052 -0.102 1 1 635 . 20 1 1 A 57 57 LEU CA C 57 57.500 58.205 -0.705 1 1 636 . 20 1 1 A 57 57 LEU CB C 57 43.500 41.825 1.675 1 1 640 . 20 1 1 A 57 57 LEU N N 57 120.100 118.985 1.115 1 1 641 . 20 1 1 A 58 58 ALA H H 58 8.430 8.573 -0.143 1 1 642 . 20 1 1 A 58 58 ALA HA H 58 3.820 4.086 -0.266 1 1 646 . 20 1 1 A 58 58 ALA CA C 58 54.600 55.197 -0.597 1 1 647 . 20 1 1 A 58 58 ALA CB C 58 16.400 18.158 -1.758 1 1 648 . 20 1 1 A 58 58 ALA N N 58 122.600 121.284 1.316 1 1 649 . 20 1 1 A 59 59 ASP H H 59 8.790 8.228 0.562 1 1 650 . 20 1 1 A 59 59 ASP HA H 59 4.440 4.393 0.047 1 1 653 . 20 1 1 A 59 59 ASP CA C 59 57.000 57.420 -0.420 1 1 654 . 20 1 1 A 59 59 ASP CB C 59 39.800 40.997 -1.197 1 1 655 . 20 1 1 A 59 59 ASP N N 59 117.900 119.349 -1.449 1 1 656 . 20 1 1 A 60 60 TYR H H 60 8.050 8.212 -0.162 1 1 657 . 20 1 1 A 60 60 TYR HA H 60 3.820 4.171 -0.351 1 1 664 . 20 1 1 A 60 60 TYR CA C 60 62.000 61.382 0.618 1 1 665 . 20 1 1 A 60 60 TYR CB C 60 38.200 38.274 -0.074 1 1 668 . 20 1 1 A 60 60 TYR N N 60 122.300 120.835 1.465 1 1 669 . 20 1 1 A 61 61 PHE H H 61 7.860 7.691 0.169 1 1 670 . 20 1 1 A 61 61 PHE HA H 61 4.530 4.553 -0.023 1 1 678 . 20 1 1 A 61 61 PHE CA C 61 58.000 57.789 0.211 1 1 679 . 20 1 1 A 61 61 PHE CB C 61 39.800 39.166 0.634 1 1 683 . 20 1 1 A 61 61 PHE N N 61 114.100 115.472 -1.372 1 1 684 . 20 1 1 A 62 62 ASN H H 62 8.040 8.238 -0.198 1 1 685 . 20 1 1 A 62 62 ASN HA H 62 4.420 4.382 0.038 1 1 690 . 20 1 1 A 62 62 ASN CA C 62 54.200 53.917 0.283 1 1 691 . 20 1 1 A 62 62 ASN CB C 62 36.800 37.008 -0.208 1 1 692 . 20 1 1 A 62 62 ASN N N 62 118.100 117.809 0.291 1 1 694 . 20 1 1 A 63 63 ILE H H 63 8.360 7.937 0.423 1 1 695 . 20 1 1 A 63 63 ILE HA H 63 4.710 4.889 -0.179 1 1 705 . 20 1 1 A 63 63 ILE CA C 63 59.600 58.216 1.384 1 1 706 . 20 1 1 A 63 63 ILE CB C 63 39.700 42.087 -2.387 1 1 710 . 20 1 1 A 63 63 ILE N N 63 112.700 113.665 -0.965 1 1 711 . 20 1 1 A 64 64 ASN H H 64 8.860 9.243 -0.383 1 1 712 . 20 1 1 A 64 64 ASN HA H 64 4.990 5.016 -0.026 1 1 717 . 20 1 1 A 64 64 ASN CA C 64 52.100 52.208 -0.108 1 1 718 . 20 1 1 A 64 64 ASN CB C 64 40.600 39.719 0.881 1 1 719 . 20 1 1 A 64 64 ASN N N 64 117.400 120.081 -2.681 1 1 721 . 20 1 1 A 65 65 LYS H H 65 9.250 8.943 0.307 1 1 722 . 20 1 1 A 65 65 LYS HA H 65 3.720 4.077 -0.357 1 1 731 . 20 1 1 A 65 65 LYS CA C 65 60.900 58.888 2.012 1 1 732 . 20 1 1 A 65 65 LYS CB C 65 31.200 31.965 -0.765 1 1 736 . 20 1 1 A 65 65 LYS N N 65 123.200 121.895 1.305 1 1 737 . 20 1 1 A 66 66 SER H H 66 8.700 8.058 0.642 1 1 738 . 20 1 1 A 66 66 SER HA H 66 4.050 4.315 -0.265 1 1 741 . 20 1 1 A 66 66 SER CA C 66 61.200 61.286 -0.086 1 1 742 . 20 1 1 A 66 66 SER CB C 66 62.200 63.208 -1.008 1 1 743 . 20 1 1 A 66 66 SER N N 66 114.300 117.805 -3.505 1 1 744 . 20 1 1 A 67 67 ASP H H 67 7.510 8.061 -0.551 1 1 745 . 20 1 1 A 67 67 ASP HA H 67 4.500 4.477 0.023 1 1 748 . 20 1 1 A 67 67 ASP CA C 67 56.700 56.955 -0.255 1 1 749 . 20 1 1 A 67 67 ASP CB C 67 41.000 40.288 0.712 1 1 750 . 20 1 1 A 67 67 ASP N N 67 119.800 121.774 -1.974 1 1 751 . 20 1 1 A 68 68 LEU H H 68 7.440 7.312 0.128 1 1 752 . 20 1 1 A 68 68 LEU HA H 68 4.500 4.358 0.142 1 1 762 . 20 1 1 A 68 68 LEU CA C 68 55.700 55.772 -0.072 1 1 763 . 20 1 1 A 68 68 LEU CB C 68 43.500 42.571 0.929 1 1 767 . 20 1 1 A 68 68 LEU N N 68 113.800 117.540 -3.740 1 1 768 . 20 1 1 A 69 69 ILE H H 69 7.500 7.459 0.041 1 1 769 . 20 1 1 A 69 69 ILE HA H 69 4.390 4.259 0.131 1 1 779 . 20 1 1 A 69 69 ILE CA C 69 61.700 62.305 -0.605 1 1 780 . 20 1 1 A 69 69 ILE CB C 69 39.600 38.608 0.992 1 1 784 . 20 1 1 A 69 69 ILE N N 69 112.800 116.716 -3.916 1 1 785 . 20 1 1 A 70 70 GLU H H 70 7.680 7.600 0.080 1 1 786 . 20 1 1 A 70 70 GLU HA H 70 4.500 4.384 0.116 1 1 791 . 20 1 1 A 70 70 GLU CA C 70 55.200 56.726 -1.526 1 1 792 . 20 1 1 A 70 70 GLU CB C 70 30.800 29.903 0.897 1 1 794 . 20 1 1 A 70 70 GLU N N 70 118.300 121.697 -3.397 1 1 795 . 20 1 1 A 71 71 ASP H H 71 8.660 8.377 0.283 1 1 796 . 20 1 1 A 71 71 ASP HA H 71 4.640 5.016 -0.376 1 1 799 . 20 1 1 A 71 71 ASP CA C 71 53.400 53.170 0.230 1 1 800 . 20 1 1 A 71 71 ASP CB C 71 40.800 43.408 -2.608 1 1 801 . 20 1 1 A 71 71 ASP N N 71 121.100 124.150 -3.050 1 1 802 . 20 1 1 A 72 72 LYS H H 72 8.980 8.906 0.074 1 1 803 . 20 1 1 A 72 72 LYS HA H 72 4.270 4.364 -0.094 1 1 812 . 20 1 1 A 72 72 LYS CA C 72 56.400 57.411 -1.011 1 1 813 . 20 1 1 A 72 72 LYS CB C 72 32.400 31.994 0.406 1 1 817 . 20 1 1 A 72 72 LYS N N 72 126.200 125.115 1.085 1 1 818 . 20 1 1 A 73 73 LYS H H 73 8.460 7.850 0.610 1 1 819 . 20 1 1 A 73 73 LYS HA H 73 4.180 4.352 -0.172 1 1 828 . 20 1 1 A 73 73 LYS CA C 73 56.500 56.297 0.203 1 1 829 . 20 1 1 A 73 73 LYS CB C 73 31.600 32.603 -1.003 1 1 833 . 20 1 1 A 73 73 LYS N N 73 120.300 119.531 0.769 1 1 834 . 20 1 1 A 74 74 LEU H H 74 7.910 6.793 1.117 1 1 835 . 20 1 1 A 74 74 LEU HA H 74 4.260 4.517 -0.257 1 1 845 . 20 1 1 A 74 74 LEU CA C 74 55.000 54.232 0.768 1 1 846 . 20 1 1 A 74 74 LEU CB C 74 42.200 39.935 2.265 1 1 850 . 20 1 1 A 74 74 LEU N N 74 120.900 121.997 -1.097 1 1 851 . 20 1 1 A 75 75 ASN H H 75 8.320 8.462 -0.142 1 1 852 . 20 1 1 A 75 75 ASN HA H 75 4.710 5.134 -0.424 1 1 857 . 20 1 1 A 75 75 ASN CA C 75 53.000 51.969 1.031 1 1 858 . 20 1 1 A 75 75 ASN CB C 75 38.700 40.869 -2.169 1 1 859 . 20 1 1 A 75 75 ASN N N 75 119.300 121.293 -1.993 1 1 861 . 20 1 1 A 76 76 ILE H H 76 8.010 8.594 -0.584 1 1 862 . 20 1 1 A 76 76 ILE HA H 76 4.180 4.150 0.030 1 1 872 . 20 1 1 A 76 76 ILE CA C 76 61.000 61.763 -0.763 1 1 873 . 20 1 1 A 76 76 ILE CB C 76 38.700 37.002 1.698 1 1 877 . 20 1 1 A 76 76 ILE N N 76 120.200 120.638 -0.438 1 1 878 . 20 1 1 A 77 77 ASP H H 77 8.390 8.497 -0.107 1 1 879 . 20 1 1 A 77 77 ASP HA H 77 4.660 4.927 -0.267 1 1 882 . 20 1 1 A 77 77 ASP CA C 77 54.200 54.458 -0.258 1 1 883 . 20 1 1 A 77 77 ASP CB C 77 41.100 42.588 -1.488 1 1 884 . 20 1 1 A 77 77 ASP N N 77 123.500 127.554 -4.054 1 1 885 . 20 1 1 A 78 78 THR H H 78 8.010 8.916 -0.906 1 1 886 . 20 1 1 A 78 78 THR HA H 78 4.310 4.631 -0.321 1 1 891 . 20 1 1 A 78 78 THR CA C 78 61.600 61.801 -0.201 1 1 892 . 20 1 1 A 78 78 THR CB C 78 69.700 69.592 0.108 1 1 894 . 20 1 1 A 78 78 THR N N 78 114.200 121.198 -6.998 1 1 895 . 20 1 1 A 79 79 VAL H H 79 8.090 8.852 -0.762 1 1 896 . 20 1 1 A 79 79 VAL HA H 79 4.390 4.682 -0.292 1 1 904 . 20 1 1 A 79 79 VAL CA C 79 59.900 59.189 0.711 1 1 905 . 20 1 1 A 79 79 VAL CB C 79 32.400 32.795 -0.395 1 1 908 . 20 1 1 A 79 79 VAL N N 79 124.000 128.419 -4.419 1 1 909 . 20 1 1 A 80 80 PRO HA H 80 4.420 4.692 -0.272 1 1 916 . 20 1 1 A 80 80 PRO CA C 80 62.900 62.329 0.571 1 1 917 . 20 1 1 A 80 80 PRO CB C 80 31.900 29.512 2.388 1 1 920 . 20 1 1 A 81 81 ILE H H 81 8.210 7.966 0.244 1 1 921 . 20 1 1 A 81 81 ILE HA H 81 4.110 4.256 -0.146 1 1 931 . 20 1 1 A 81 81 ILE CA C 81 61.200 60.855 0.345 1 1 932 . 20 1 1 A 81 81 ILE CB C 81 38.600 37.410 1.190 1 1 936 . 20 1 1 A 81 81 ILE N N 81 121.300 123.862 -2.562 1 1 937 . 20 1 1 A 82 82 GLU H H 82 8.510 8.831 -0.321 1 1 938 . 20 1 1 A 82 82 GLU HA H 82 4.300 4.586 -0.286 1 1 943 . 20 1 1 A 82 82 GLU CA C 82 56.300 56.639 -0.339 1 1 944 . 20 1 1 A 82 82 GLU CB C 82 30.000 29.856 0.144 1 1 946 . 20 1 1 A 82 82 GLU N N 82 124.600 129.282 -4.682 1 1 947 . 20 1 1 A 83 83 SER H H 83 8.330 8.854 -0.524 1 1 948 . 20 1 1 A 83 83 SER HA H 83 4.400 4.942 -0.542 1 1 951 . 20 1 1 A 83 83 SER CA C 83 58.500 58.193 0.307 1 1 952 . 20 1 1 A 83 83 SER CB C 83 63.600 63.686 -0.086 1 1 953 . 20 1 1 A 83 83 SER N N 83 116.900 124.586 -7.686 1 1 954 . 20 1 1 A 84 84 GLY H H 84 8.400 8.919 -0.519 1 1 955 . 20 1 1 A 84 84 GLY HA2 H 84 3.900 4.062 -0.162 1 1 956 . 20 1 1 A 84 84 GLY HA3 H 84 3.900 4.083 -0.183 1 1 957 . 20 1 1 A 84 84 GLY CA C 84 45.300 45.275 0.025 1 1 958 . 20 1 1 A 84 84 GLY N N 84 110.400 113.628 -3.228 1 1 959 . 20 1 1 A 85 85 TYR H H 85 8.000 8.690 -0.690 1 1 960 . 20 1 1 A 85 85 TYR HA H 85 4.600 5.024 -0.424 1 1 967 . 20 1 1 A 85 85 TYR CA C 85 57.900 56.324 1.576 1 1 968 . 20 1 1 A 85 85 TYR CB C 85 38.700 39.810 -1.110 1 1 971 . 20 1 1 A 85 85 TYR N N 85 120.000 123.318 -3.318 1 1 972 . 20 1 1 A 86 86 THR H H 86 8.070 8.541 -0.471 1 1 973 . 20 1 1 A 86 86 THR HA H 86 4.280 4.922 -0.642 1 1 978 . 20 1 1 A 86 86 THR CA C 86 61.600 60.418 1.182 1 1 979 . 20 1 1 A 86 86 THR CB C 86 69.700 71.390 -1.690 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 83 1.147 1 3 1 1 1 "RMS(OBS, PRED)" CB 79 1.095 1 4 1 1 1 "RMS(OBS, PRED)" H 78 0.404 1 5 1 1 1 "RMS(OBS, PRED)" HA 87 0.273 1 6 1 1 1 "RMS(OBS, PRED)" N 77 2.629 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 83 1.106 1 9 1 2 1 "RMS(OBS, PRED)" CB 79 1.038 1 10 1 2 1 "RMS(OBS, PRED)" H 78 0.443 1 11 1 2 1 "RMS(OBS, PRED)" HA 87 0.287 1 12 1 2 1 "RMS(OBS, PRED)" N 77 2.559 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 83 1.107 1 15 1 3 1 "RMS(OBS, PRED)" CB 79 1.041 1 16 1 3 1 "RMS(OBS, PRED)" H 78 0.422 1 17 1 3 1 "RMS(OBS, PRED)" HA 87 0.256 1 18 1 3 1 "RMS(OBS, PRED)" N 77 2.817 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 83 1.139 1 21 1 4 1 "RMS(OBS, PRED)" CB 79 1.086 1 22 1 4 1 "RMS(OBS, PRED)" H 78 0.413 1 23 1 4 1 "RMS(OBS, PRED)" HA 87 0.294 1 24 1 4 1 "RMS(OBS, PRED)" N 77 2.618 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 83 1.055 1 27 1 5 1 "RMS(OBS, PRED)" CB 79 1.048 1 28 1 5 1 "RMS(OBS, PRED)" H 78 0.382 1 29 1 5 1 "RMS(OBS, PRED)" HA 87 0.264 1 30 1 5 1 "RMS(OBS, PRED)" N 77 2.606 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 83 1.107 1 33 1 6 1 "RMS(OBS, PRED)" CB 79 0.890 1 34 1 6 1 "RMS(OBS, PRED)" H 78 0.401 1 35 1 6 1 "RMS(OBS, PRED)" HA 87 0.248 1 36 1 6 1 "RMS(OBS, PRED)" N 77 2.653 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 83 1.137 1 39 1 7 1 "RMS(OBS, PRED)" CB 79 1.188 1 40 1 7 1 "RMS(OBS, PRED)" H 78 0.416 1 41 1 7 1 "RMS(OBS, PRED)" HA 87 0.281 1 42 1 7 1 "RMS(OBS, PRED)" N 77 2.247 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 83 1.028 1 45 1 8 1 "RMS(OBS, PRED)" CB 79 1.110 1 46 1 8 1 "RMS(OBS, PRED)" H 78 0.372 1 47 1 8 1 "RMS(OBS, PRED)" HA 87 0.256 1 48 1 8 1 "RMS(OBS, PRED)" N 77 2.686 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 83 1.129 1 51 1 9 1 "RMS(OBS, PRED)" CB 79 1.045 1 52 1 9 1 "RMS(OBS, PRED)" H 78 0.389 1 53 1 9 1 "RMS(OBS, PRED)" HA 87 0.263 1 54 1 9 1 "RMS(OBS, PRED)" N 77 2.600 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 83 1.059 1 57 1 10 1 "RMS(OBS, PRED)" CB 79 0.992 1 58 1 10 1 "RMS(OBS, PRED)" H 78 0.433 1 59 1 10 1 "RMS(OBS, PRED)" HA 87 0.269 1 60 1 10 1 "RMS(OBS, PRED)" N 77 2.665 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 83 1.115 1 63 1 11 1 "RMS(OBS, PRED)" CB 79 0.936 1 64 1 11 1 "RMS(OBS, PRED)" H 78 0.426 1 65 1 11 1 "RMS(OBS, PRED)" HA 87 0.246 1 66 1 11 1 "RMS(OBS, PRED)" N 77 2.659 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 83 1.063 1 69 1 12 1 "RMS(OBS, PRED)" CB 79 1.077 1 70 1 12 1 "RMS(OBS, PRED)" H 78 0.381 1 71 1 12 1 "RMS(OBS, PRED)" HA 87 0.285 1 72 1 12 1 "RMS(OBS, PRED)" N 77 2.508 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 83 1.043 1 75 1 13 1 "RMS(OBS, PRED)" CB 79 1.043 1 76 1 13 1 "RMS(OBS, PRED)" H 78 0.382 1 77 1 13 1 "RMS(OBS, PRED)" HA 87 0.251 1 78 1 13 1 "RMS(OBS, PRED)" N 77 2.749 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 83 1.183 1 81 1 14 1 "RMS(OBS, PRED)" CB 79 1.136 1 82 1 14 1 "RMS(OBS, PRED)" H 78 0.382 1 83 1 14 1 "RMS(OBS, PRED)" HA 87 0.285 1 84 1 14 1 "RMS(OBS, PRED)" N 77 2.541 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 83 1.111 1 87 1 15 1 "RMS(OBS, PRED)" CB 79 0.988 1 88 1 15 1 "RMS(OBS, PRED)" H 78 0.421 1 89 1 15 1 "RMS(OBS, PRED)" HA 87 0.239 1 90 1 15 1 "RMS(OBS, PRED)" N 77 2.599 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 83 1.084 1 93 1 16 1 "RMS(OBS, PRED)" CB 79 0.905 1 94 1 16 1 "RMS(OBS, PRED)" H 78 0.411 1 95 1 16 1 "RMS(OBS, PRED)" HA 87 0.250 1 96 1 16 1 "RMS(OBS, PRED)" N 77 2.901 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 83 1.160 1 99 1 17 1 "RMS(OBS, PRED)" CB 79 1.000 1 100 1 17 1 "RMS(OBS, PRED)" H 78 0.411 1 101 1 17 1 "RMS(OBS, PRED)" HA 87 0.301 1 102 1 17 1 "RMS(OBS, PRED)" N 77 2.763 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 83 1.073 1 105 1 18 1 "RMS(OBS, PRED)" CB 79 1.080 1 106 1 18 1 "RMS(OBS, PRED)" H 78 0.434 1 107 1 18 1 "RMS(OBS, PRED)" HA 87 0.264 1 108 1 18 1 "RMS(OBS, PRED)" N 77 2.589 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 83 1.066 1 111 1 19 1 "RMS(OBS, PRED)" CB 79 1.064 1 112 1 19 1 "RMS(OBS, PRED)" H 78 0.421 1 113 1 19 1 "RMS(OBS, PRED)" HA 87 0.289 1 114 1 19 1 "RMS(OBS, PRED)" N 77 2.574 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 83 1.039 1 117 1 20 1 "RMS(OBS, PRED)" CB 79 1.137 1 118 1 20 1 "RMS(OBS, PRED)" H 78 0.456 1 119 1 20 1 "RMS(OBS, PRED)" HA 87 0.268 1 120 1 20 1 "RMS(OBS, PRED)" N 77 3.104 1 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Conformer_type "average" _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 1 . 1 1 A 4 4 ASP H H 4 8.270 8.444 -0.174 2 1 2 . 1 1 A 4 4 ASP HA H 4 4.550 4.668 -0.118 2 1 5 . 1 1 A 4 4 ASP CA C 4 54.700 54.253 0.447 2 1 6 . 1 1 A 4 4 ASP CB C 4 41.400 41.189 0.211 2 1 7 . 1 1 A 4 4 ASP N N 4 121.200 121.390 -0.190 2 1 8 . 1 1 A 5 5 LYS HA H 5 4.160 3.963 0.197 2 1 13 . 1 1 A 5 5 LYS CA C 5 58.300 59.458 -1.158 2 1 14 . 1 1 A 5 5 LYS CB C 5 32.400 32.208 0.192 2 1 16 . 1 1 A 6 6 GLN H H 6 8.170 8.062 0.108 2 1 17 . 1 1 A 6 6 GLN HA H 6 4.090 4.017 0.073 2 1 24 . 1 1 A 6 6 GLN CA C 6 59.000 59.136 -0.136 2 1 25 . 1 1 A 6 6 GLN CB C 6 28.500 28.185 0.315 2 1 27 . 1 1 A 6 6 GLN N N 6 117.400 118.888 -1.488 2 1 29 . 1 1 A 7 7 LYS H H 7 7.970 8.080 -0.110 2 1 30 . 1 1 A 7 7 LYS HA H 7 4.030 4.103 -0.073 2 1 39 . 1 1 A 7 7 LYS CA C 7 59.500 59.066 0.434 2 1 40 . 1 1 A 7 7 LYS CB C 7 32.500 32.153 0.347 2 1 44 . 1 1 A 7 7 LYS N N 7 119.400 119.297 0.103 2 1 45 . 1 1 A 8 8 ALA H H 8 7.980 7.785 0.195 2 1 46 . 1 1 A 8 8 ALA HA H 8 4.110 4.126 -0.016 2 1 50 . 1 1 A 8 8 ALA CA C 8 55.000 54.952 0.048 2 1 51 . 1 1 A 8 8 ALA CB C 8 18.100 18.347 -0.247 2 1 52 . 1 1 A 8 8 ALA N N 8 123.300 121.650 1.649 2 1 53 . 1 1 A 9 9 ILE H H 9 8.070 8.120 -0.051 2 1 54 . 1 1 A 9 9 ILE HA H 9 3.760 3.730 0.030 2 1 64 . 1 1 A 9 9 ILE CA C 9 63.800 65.180 -1.380 2 1 65 . 1 1 A 9 9 ILE CB C 9 38.900 37.695 1.205 2 1 69 . 1 1 A 9 9 ILE N N 9 119.200 119.802 -0.602 2 1 70 . 1 1 A 10 10 PHE H H 10 8.020 8.513 -0.493 2 1 71 . 1 1 A 10 10 PHE HA H 10 4.720 4.188 0.532 2 1 79 . 1 1 A 10 10 PHE CA C 10 60.400 62.082 -1.682 2 1 80 . 1 1 A 10 10 PHE CB C 10 39.400 39.041 0.359 2 1 84 . 1 1 A 10 10 PHE N N 10 118.900 121.208 -2.308 2 1 85 . 1 1 A 11 11 SER H H 11 8.420 8.392 0.028 2 1 86 . 1 1 A 11 11 SER HA H 11 3.890 4.058 -0.168 2 1 89 . 1 1 A 11 11 SER CA C 11 62.000 61.653 0.347 2 1 90 . 1 1 A 11 11 SER CB C 11 62.800 62.711 0.089 2 1 91 . 1 1 A 11 11 SER N N 11 112.700 113.975 -1.275 2 1 92 . 1 1 A 12 12 GLU H H 12 8.050 8.264 -0.214 2 1 93 . 1 1 A 12 12 GLU HA H 12 4.130 3.978 0.152 2 1 98 . 1 1 A 12 12 GLU CA C 12 59.400 59.446 -0.046 2 1 99 . 1 1 A 12 12 GLU CB C 12 29.100 29.133 -0.033 2 1 101 . 1 1 A 12 12 GLU N N 12 123.000 121.814 1.186 2 1 102 . 1 1 A 13 13 ASN H H 13 8.390 8.258 0.132 2 1 103 . 1 1 A 13 13 ASN HA H 13 4.470 4.326 0.144 2 1 108 . 1 1 A 13 13 ASN CA C 13 55.700 56.217 -0.517 2 1 109 . 1 1 A 13 13 ASN CB C 13 37.900 38.477 -0.577 2 1 110 . 1 1 A 13 13 ASN N N 13 119.100 118.676 0.424 2 1 112 . 1 1 A 14 14 LEU H H 14 9.170 7.897 1.273 2 1 113 . 1 1 A 14 14 LEU HA H 14 3.860 3.963 -0.103 2 1 123 . 1 1 A 14 14 LEU CA C 14 58.800 57.942 0.858 2 1 124 . 1 1 A 14 14 LEU CB C 14 41.100 41.129 -0.029 2 1 128 . 1 1 A 14 14 LEU N N 14 122.200 120.924 1.276 2 1 129 . 1 1 A 15 15 ASN H H 15 8.700 8.567 0.133 2 1 130 . 1 1 A 15 15 ASN HA H 15 4.520 4.436 0.084 2 1 135 . 1 1 A 15 15 ASN CA C 15 56.600 56.573 0.027 2 1 136 . 1 1 A 15 15 ASN CB C 15 37.900 39.087 -1.188 2 1 137 . 1 1 A 15 15 ASN N N 15 115.400 117.587 -2.187 2 1 139 . 1 1 A 16 16 SER H H 16 7.860 7.833 0.027 2 1 140 . 1 1 A 16 16 SER HA H 16 4.250 4.090 0.160 2 1 143 . 1 1 A 16 16 SER CA C 16 61.400 61.865 -0.465 2 1 144 . 1 1 A 16 16 SER CB C 16 62.100 62.906 -0.806 2 1 145 . 1 1 A 16 16 SER N N 16 117.600 115.963 1.637 2 1 146 . 1 1 A 17 17 TYR H H 17 7.740 7.330 0.410 2 1 147 . 1 1 A 17 17 TYR HA H 17 3.900 4.255 -0.355 2 1 154 . 1 1 A 17 17 TYR CA C 17 63.500 61.079 2.421 2 1 155 . 1 1 A 17 17 TYR CB C 17 35.600 37.678 -2.078 2 1 158 . 1 1 A 17 17 TYR N N 17 120.700 119.318 1.382 2 1 159 . 1 1 A 18 18 ILE H H 18 8.660 8.095 0.565 2 1 160 . 1 1 A 18 18 ILE HA H 18 3.710 3.917 -0.207 2 1 170 . 1 1 A 18 18 ILE CA C 18 66.400 65.467 0.933 2 1 171 . 1 1 A 18 18 ILE CB C 18 38.300 38.483 -0.183 2 1 175 . 1 1 A 18 18 ILE N N 18 121.800 120.511 1.289 2 1 176 . 1 1 A 19 19 ALA H H 19 8.010 8.340 -0.330 2 1 177 . 1 1 A 19 19 ALA HA H 19 4.220 4.129 0.091 2 1 181 . 1 1 A 19 19 ALA CA C 19 55.000 54.815 0.185 2 1 182 . 1 1 A 19 19 ALA CB C 19 17.800 18.207 -0.407 2 1 183 . 1 1 A 19 19 ALA N N 19 121.900 122.193 -0.293 2 1 184 . 1 1 A 20 20 LYS H H 20 7.650 7.783 -0.133 2 1 185 . 1 1 A 20 20 LYS HA H 20 4.200 4.166 0.034 2 1 194 . 1 1 A 20 20 LYS CA C 20 57.900 58.430 -0.530 2 1 195 . 1 1 A 20 20 LYS CB C 20 33.000 32.455 0.545 2 1 199 . 1 1 A 20 20 LYS N N 20 116.500 117.795 -1.295 2 1 200 . 1 1 A 21 21 SER H H 21 8.000 7.741 0.259 2 1 201 . 1 1 A 21 21 SER HA H 21 4.460 4.574 -0.114 2 1 204 . 1 1 A 21 21 SER CA C 21 60.100 58.450 1.650 2 1 205 . 1 1 A 21 21 SER CB C 21 64.700 64.375 0.325 2 1 206 . 1 1 A 21 21 SER N N 21 114.400 114.650 -0.250 2 1 207 . 1 1 A 22 22 GLU H H 22 7.970 8.542 -0.572 2 1 208 . 1 1 A 22 22 GLU HA H 22 4.140 4.278 -0.138 2 1 213 . 1 1 A 22 22 GLU CA C 22 57.900 57.286 0.614 2 1 214 . 1 1 A 22 22 GLU CB C 22 27.700 29.380 -1.680 2 1 216 . 1 1 A 22 22 GLU N N 22 116.000 122.267 -6.268 2 1 217 . 1 1 A 23 23 LYS H H 23 8.070 7.630 0.440 2 1 218 . 1 1 A 23 23 LYS HA H 23 4.730 4.560 0.170 2 1 227 . 1 1 A 23 23 LYS CA C 23 53.800 55.726 -1.926 2 1 228 . 1 1 A 23 23 LYS CB C 23 34.300 34.091 0.209 2 1 232 . 1 1 A 23 23 LYS N N 23 119.500 120.447 -0.947 2 1 233 . 1 1 A 24 24 THR H H 24 8.690 8.671 0.019 2 1 234 . 1 1 A 24 24 THR HA H 24 4.460 4.691 -0.231 2 1 239 . 1 1 A 24 24 THR CA C 24 60.200 60.745 -0.545 2 1 240 . 1 1 A 24 24 THR CB C 24 71.200 71.059 0.141 2 1 242 . 1 1 A 24 24 THR N N 24 109.900 114.694 -4.794 2 1 243 . 1 1 A 25 25 GLN H H 25 8.840 8.996 -0.156 2 1 244 . 1 1 A 25 25 GLN HA H 25 3.640 3.866 -0.226 2 1 251 . 1 1 A 25 25 GLN CA C 25 59.900 59.045 0.855 2 1 252 . 1 1 A 25 25 GLN CB C 25 28.300 28.456 -0.156 2 1 254 . 1 1 A 25 25 GLN N N 25 118.500 121.621 -3.121 2 1 256 . 1 1 A 26 26 LEU H H 26 7.690 8.136 -0.446 2 1 257 . 1 1 A 26 26 LEU HA H 26 3.790 3.917 -0.127 2 1 267 . 1 1 A 26 26 LEU CA C 26 57.900 57.734 0.166 2 1 268 . 1 1 A 26 26 LEU CB C 26 41.800 41.490 0.310 2 1 272 . 1 1 A 26 26 LEU N N 26 116.000 120.907 -4.907 2 1 273 . 1 1 A 27 27 GLU H H 27 7.540 7.911 -0.371 2 1 274 . 1 1 A 27 27 GLU HA H 27 3.880 3.948 -0.068 2 1 279 . 1 1 A 27 27 GLU CA C 27 58.800 59.265 -0.465 2 1 280 . 1 1 A 27 27 GLU CB C 27 29.500 29.454 0.046 2 1 282 . 1 1 A 27 27 GLU N N 27 118.200 118.639 -0.439 2 1 283 . 1 1 A 28 28 ILE H H 28 7.710 7.758 -0.048 2 1 284 . 1 1 A 28 28 ILE HA H 28 2.970 3.243 -0.273 2 1 294 . 1 1 A 28 28 ILE CA C 28 65.100 65.017 0.083 2 1 295 . 1 1 A 28 28 ILE CB C 28 37.400 37.813 -0.413 2 1 299 . 1 1 A 28 28 ILE N N 28 121.400 120.133 1.267 2 1 300 . 1 1 A 29 29 ALA H H 29 7.690 8.033 -0.343 2 1 301 . 1 1 A 29 29 ALA HA H 29 3.230 3.749 -0.519 2 1 305 . 1 1 A 29 29 ALA CA C 29 55.300 55.358 -0.058 2 1 306 . 1 1 A 29 29 ALA CB C 29 16.300 18.182 -1.882 2 1 307 . 1 1 A 29 29 ALA N N 29 120.500 121.502 -1.002 2 1 308 . 1 1 A 30 30 LYS H H 30 7.580 7.942 -0.362 2 1 309 . 1 1 A 30 30 LYS HA H 30 4.050 3.936 0.115 2 1 318 . 1 1 A 30 30 LYS CA C 30 58.800 59.223 -0.423 2 1 319 . 1 1 A 30 30 LYS CB C 30 32.000 32.142 -0.142 2 1 323 . 1 1 A 30 30 LYS N N 30 114.800 118.257 -3.457 2 1 324 . 1 1 A 31 31 SER H H 31 7.680 7.633 0.047 2 1 325 . 1 1 A 31 31 SER HA H 31 4.220 4.199 0.021 2 1 328 . 1 1 A 31 31 SER CA C 31 62.300 61.875 0.425 2 1 329 . 1 1 A 31 31 SER CB C 31 63.300 62.762 0.538 2 1 330 . 1 1 A 31 31 SER N N 31 115.800 116.000 -0.200 2 1 331 . 1 1 A 32 32 ILE H H 32 7.800 7.432 0.368 2 1 332 . 1 1 A 32 32 ILE HA H 32 4.400 3.950 0.450 2 1 342 . 1 1 A 32 32 ILE CA C 32 60.300 62.950 -2.650 2 1 343 . 1 1 A 32 32 ILE CB C 32 37.500 38.616 -1.116 2 1 347 . 1 1 A 32 32 ILE N N 32 113.800 117.502 -3.702 2 1 348 . 1 1 A 33 33 GLY H H 33 7.880 8.295 -0.415 2 1 349 . 1 1 A 33 33 GLY HA2 H 33 3.890 4.026 -0.136 2 1 350 . 1 1 A 33 33 GLY HA3 H 33 4.040 4.047 -0.007 2 1 351 . 1 1 A 33 33 GLY CA C 33 46.800 45.176 1.624 2 1 352 . 1 1 A 33 33 GLY N N 33 110.500 108.563 1.937 2 1 353 . 1 1 A 34 34 VAL H H 34 7.910 7.650 0.260 2 1 354 . 1 1 A 34 34 VAL HA H 34 4.720 4.732 -0.012 2 1 362 . 1 1 A 34 34 VAL CA C 34 58.700 59.566 -0.866 2 1 363 . 1 1 A 34 34 VAL CB C 34 35.500 34.970 0.530 2 1 366 . 1 1 A 34 34 VAL N N 34 113.500 116.529 -3.029 2 1 367 . 1 1 A 35 35 SER H H 35 8.650 8.561 0.089 2 1 368 . 1 1 A 35 35 SER HA H 35 4.580 4.667 -0.087 2 1 371 . 1 1 A 35 35 SER CA C 35 55.900 56.978 -1.078 2 1 372 . 1 1 A 35 35 SER CB C 35 62.800 62.823 -0.023 2 1 373 . 1 1 A 35 35 SER N N 35 118.400 117.999 0.401 2 1 374 . 1 1 A 36 36 PRO HA H 36 3.950 4.254 -0.304 2 1 381 . 1 1 A 36 36 PRO CA C 36 65.100 65.266 -0.166 2 1 382 . 1 1 A 36 36 PRO CB C 36 31.500 31.967 -0.467 2 1 385 . 1 1 A 37 37 GLN H H 37 8.300 8.259 0.041 2 1 386 . 1 1 A 37 37 GLN HA H 37 4.030 4.045 -0.015 2 1 393 . 1 1 A 37 37 GLN CA C 37 59.400 58.696 0.704 2 1 394 . 1 1 A 37 37 GLN CB C 37 27.400 28.232 -0.832 2 1 396 . 1 1 A 37 37 GLN N N 37 117.300 117.355 -0.055 2 1 398 . 1 1 A 38 38 THR H H 38 7.790 7.644 0.146 2 1 399 . 1 1 A 38 38 THR HA H 38 3.590 3.755 -0.165 2 1 404 . 1 1 A 38 38 THR CA C 38 66.000 66.030 -0.030 2 1 405 . 1 1 A 38 38 THR CB C 38 67.900 68.229 -0.329 2 1 407 . 1 1 A 38 38 THR N N 38 119.500 117.128 2.372 2 1 408 . 1 1 A 39 39 PHE H H 39 8.150 7.860 0.290 2 1 409 . 1 1 A 39 39 PHE HA H 39 2.690 3.548 -0.858 2 1 417 . 1 1 A 39 39 PHE CA C 39 60.700 61.240 -0.540 2 1 418 . 1 1 A 39 39 PHE CB C 39 39.500 38.977 0.523 2 1 422 . 1 1 A 39 39 PHE N N 39 123.200 122.213 0.987 2 1 423 . 1 1 A 40 40 ASN H H 40 8.270 8.395 -0.125 2 1 424 . 1 1 A 40 40 ASN HA H 40 4.410 4.464 -0.054 2 1 429 . 1 1 A 40 40 ASN CA C 40 56.800 56.423 0.377 2 1 430 . 1 1 A 40 40 ASN CB C 40 38.700 38.915 -0.215 2 1 431 . 1 1 A 40 40 ASN N N 40 115.400 116.919 -1.519 2 1 433 . 1 1 A 41 41 THR H H 41 7.520 7.737 -0.217 2 1 434 . 1 1 A 41 41 THR HA H 41 4.010 4.080 -0.070 2 1 439 . 1 1 A 41 41 THR CA C 41 66.000 65.117 0.883 2 1 440 . 1 1 A 41 41 THR CB C 41 69.100 68.401 0.698 2 1 442 . 1 1 A 41 41 THR N N 41 109.700 113.380 -3.680 2 1 443 . 1 1 A 42 42 TRP H H 42 7.190 6.920 0.270 2 1 444 . 1 1 A 42 42 TRP HA H 42 5.420 4.566 0.854 2 1 453 . 1 1 A 42 42 TRP CA C 42 56.300 59.548 -3.248 2 1 454 . 1 1 A 42 42 TRP CB C 42 28.400 29.581 -1.181 2 1 460 . 1 1 A 42 42 TRP N N 42 124.000 121.233 2.767 2 1 462 . 1 1 A 43 43 CYS H H 43 7.610 8.068 -0.458 2 1 463 . 1 1 A 43 43 CYS HA H 43 4.090 4.201 -0.111 2 1 466 . 1 1 A 43 43 CYS CA C 43 62.600 62.434 0.166 2 1 467 . 1 1 A 43 43 CYS CB C 43 27.600 27.165 0.436 2 1 468 . 1 1 A 43 43 CYS N N 43 117.200 119.351 -2.151 2 1 469 . 1 1 A 44 44 LYS H H 44 7.870 7.789 0.081 2 1 470 . 1 1 A 44 44 LYS HA H 44 4.410 4.359 0.051 2 1 479 . 1 1 A 44 44 LYS CA C 44 55.500 56.018 -0.518 2 1 480 . 1 1 A 44 44 LYS CB C 44 33.100 32.912 0.188 2 1 484 . 1 1 A 44 44 LYS N N 44 115.700 118.140 -2.440 2 1 485 . 1 1 A 45 45 GLY H H 45 7.800 7.955 -0.155 2 1 486 . 1 1 A 45 45 GLY HA2 H 45 3.980 3.979 0.001 2 1 487 . 1 1 A 45 45 GLY HA3 H 45 4.200 4.034 0.166 2 1 488 . 1 1 A 45 45 GLY CA C 45 46.100 46.668 -0.568 2 1 489 . 1 1 A 45 45 GLY N N 45 107.200 107.767 -0.568 2 1 490 . 1 1 A 46 46 ILE H H 46 7.890 8.403 -0.514 2 1 491 . 1 1 A 46 46 ILE HA H 46 4.110 4.037 0.073 2 1 501 . 1 1 A 46 46 ILE CA C 46 61.600 63.282 -1.682 2 1 502 . 1 1 A 46 46 ILE CB C 46 39.100 38.291 0.809 2 1 506 . 1 1 A 46 46 ILE N N 46 115.700 117.827 -2.127 2 1 507 . 1 1 A 47 47 ALA H H 47 7.540 7.544 -0.004 2 1 508 . 1 1 A 47 47 ALA HA H 47 4.590 4.788 -0.198 2 1 512 . 1 1 A 47 47 ALA CA C 47 50.700 51.100 -0.400 2 1 513 . 1 1 A 47 47 ALA CB C 47 22.600 23.068 -0.468 2 1 514 . 1 1 A 47 47 ALA N N 47 121.600 119.321 2.279 2 1 515 . 1 1 A 48 48 ILE H H 48 8.260 8.769 -0.509 2 1 516 . 1 1 A 48 48 ILE HA H 48 4.080 4.274 -0.194 2 1 526 . 1 1 A 48 48 ILE CA C 48 56.600 57.060 -0.460 2 1 527 . 1 1 A 48 48 ILE CB C 48 40.800 39.426 1.374 2 1 531 . 1 1 A 48 48 ILE N N 48 118.900 120.153 -1.254 2 1 532 . 1 1 A 49 49 PRO HA H 49 4.230 4.502 -0.272 2 1 539 . 1 1 A 49 49 PRO CA C 49 61.300 62.068 -0.768 2 1 540 . 1 1 A 49 49 PRO CB C 49 31.900 31.745 0.155 2 1 543 . 1 1 A 50 50 ARG H H 50 8.130 8.598 -0.468 2 1 544 . 1 1 A 50 50 ARG HA H 50 4.170 4.407 -0.238 2 1 551 . 1 1 A 50 50 ARG CA C 50 55.600 55.403 0.197 2 1 552 . 1 1 A 50 50 ARG CB C 50 30.500 31.463 -0.963 2 1 555 . 1 1 A 50 50 ARG N N 50 115.900 121.326 -5.425 2 1 556 . 1 1 A 51 51 MET H H 51 8.680 8.781 -0.101 2 1 557 . 1 1 A 51 51 MET HA H 51 4.120 4.112 0.008 2 1 565 . 1 1 A 51 51 MET CA C 51 57.700 58.387 -0.687 2 1 566 . 1 1 A 51 51 MET CB C 51 31.200 32.169 -0.969 2 1 569 . 1 1 A 51 51 MET N N 51 120.000 122.679 -2.679 2 1 570 . 1 1 A 52 52 GLY HA2 H 52 4.000 3.853 0.147 2 1 571 . 1 1 A 52 52 GLY HA3 H 52 3.920 3.856 0.064 2 1 572 . 1 1 A 52 52 GLY CA C 52 46.800 47.107 -0.307 2 1 573 . 1 1 A 53 53 LYS H H 53 7.520 7.841 -0.321 2 1 574 . 1 1 A 53 53 LYS HA H 53 4.450 4.226 0.224 2 1 583 . 1 1 A 53 53 LYS CA C 53 56.200 58.764 -2.564 2 1 584 . 1 1 A 53 53 LYS CB C 53 32.200 32.514 -0.314 2 1 588 . 1 1 A 53 53 LYS N N 53 119.900 122.068 -2.168 2 1 589 . 1 1 A 54 54 VAL H H 54 7.650 7.998 -0.348 2 1 590 . 1 1 A 54 54 VAL HA H 54 3.420 3.509 -0.089 2 1 598 . 1 1 A 54 54 VAL CA C 54 67.600 66.664 0.936 2 1 599 . 1 1 A 54 54 VAL CB C 54 30.600 31.279 -0.679 2 1 602 . 1 1 A 54 54 VAL N N 54 121.300 120.265 1.035 2 1 603 . 1 1 A 55 55 GLN H H 55 8.460 8.282 0.178 2 1 604 . 1 1 A 55 55 GLN HA H 55 3.790 4.002 -0.212 2 1 611 . 1 1 A 55 55 GLN CA C 55 58.000 58.785 -0.785 2 1 612 . 1 1 A 55 55 GLN CB C 55 28.200 28.510 -0.310 2 1 614 . 1 1 A 55 55 GLN N N 55 118.100 119.895 -1.795 2 1 616 . 1 1 A 56 56 ALA H H 56 7.550 7.849 -0.299 2 1 617 . 1 1 A 56 56 ALA HA H 56 4.310 4.130 0.180 2 1 621 . 1 1 A 56 56 ALA CA C 56 55.100 55.068 0.032 2 1 622 . 1 1 A 56 56 ALA CB C 56 18.100 18.144 -0.044 2 1 623 . 1 1 A 56 56 ALA N N 56 120.300 122.599 -2.299 2 1 624 . 1 1 A 57 57 LEU H H 57 8.170 8.136 0.034 2 1 625 . 1 1 A 57 57 LEU HA H 57 3.950 4.071 -0.121 2 1 635 . 1 1 A 57 57 LEU CA C 57 57.500 58.186 -0.686 2 1 636 . 1 1 A 57 57 LEU CB C 57 43.500 41.948 1.552 2 1 640 . 1 1 A 57 57 LEU N N 57 120.100 119.240 0.860 2 1 641 . 1 1 A 58 58 ALA H H 58 8.430 8.622 -0.192 2 1 642 . 1 1 A 58 58 ALA HA H 58 3.820 4.128 -0.309 2 1 646 . 1 1 A 58 58 ALA CA C 58 54.600 55.194 -0.594 2 1 647 . 1 1 A 58 58 ALA CB C 58 16.400 18.056 -1.656 2 1 648 . 1 1 A 58 58 ALA N N 58 122.600 121.315 1.285 2 1 649 . 1 1 A 59 59 ASP H H 59 8.790 8.235 0.555 2 1 650 . 1 1 A 59 59 ASP HA H 59 4.440 4.405 0.035 2 1 653 . 1 1 A 59 59 ASP CA C 59 57.000 57.285 -0.285 2 1 654 . 1 1 A 59 59 ASP CB C 59 39.800 41.029 -1.229 2 1 655 . 1 1 A 59 59 ASP N N 59 117.900 119.326 -1.426 2 1 656 . 1 1 A 60 60 TYR H H 60 8.050 8.042 0.008 2 1 657 . 1 1 A 60 60 TYR HA H 60 3.820 4.164 -0.344 2 1 664 . 1 1 A 60 60 TYR CA C 60 62.000 61.346 0.654 2 1 665 . 1 1 A 60 60 TYR CB C 60 38.200 38.281 -0.081 2 1 668 . 1 1 A 60 60 TYR N N 60 122.300 120.679 1.621 2 1 669 . 1 1 A 61 61 PHE H H 61 7.860 7.601 0.259 2 1 670 . 1 1 A 61 61 PHE HA H 61 4.530 4.535 -0.005 2 1 678 . 1 1 A 61 61 PHE CA C 61 58.000 57.660 0.340 2 1 679 . 1 1 A 61 61 PHE CB C 61 39.800 39.216 0.584 2 1 683 . 1 1 A 61 61 PHE N N 61 114.100 114.928 -0.828 2 1 684 . 1 1 A 62 62 ASN H H 62 8.040 8.039 0.001 2 1 685 . 1 1 A 62 62 ASN HA H 62 4.420 4.358 0.062 2 1 690 . 1 1 A 62 62 ASN CA C 62 54.200 54.172 0.028 2 1 691 . 1 1 A 62 62 ASN CB C 62 36.800 37.072 -0.272 2 1 692 . 1 1 A 62 62 ASN N N 62 118.100 116.737 1.363 2 1 694 . 1 1 A 63 63 ILE H H 63 8.360 7.896 0.464 2 1 695 . 1 1 A 63 63 ILE HA H 63 4.710 4.784 -0.074 2 1 705 . 1 1 A 63 63 ILE CA C 63 59.600 58.609 0.991 2 1 706 . 1 1 A 63 63 ILE CB C 63 39.700 41.300 -1.600 2 1 710 . 1 1 A 63 63 ILE N N 63 112.700 114.075 -1.375 2 1 711 . 1 1 A 64 64 ASN H H 64 8.860 8.748 0.112 2 1 712 . 1 1 A 64 64 ASN HA H 64 4.990 5.006 -0.016 2 1 717 . 1 1 A 64 64 ASN CA C 64 52.100 52.280 -0.180 2 1 718 . 1 1 A 64 64 ASN CB C 64 40.600 40.015 0.585 2 1 719 . 1 1 A 64 64 ASN N N 64 117.400 120.014 -2.614 2 1 721 . 1 1 A 65 65 LYS H H 65 9.250 8.876 0.374 2 1 722 . 1 1 A 65 65 LYS HA H 65 3.720 4.068 -0.348 2 1 731 . 1 1 A 65 65 LYS CA C 65 60.900 58.947 1.953 2 1 732 . 1 1 A 65 65 LYS CB C 65 31.200 32.010 -0.810 2 1 736 . 1 1 A 65 65 LYS N N 65 123.200 122.665 0.535 2 1 737 . 1 1 A 66 66 SER H H 66 8.700 8.152 0.548 2 1 738 . 1 1 A 66 66 SER HA H 66 4.050 4.222 -0.172 2 1 741 . 1 1 A 66 66 SER CA C 66 61.200 61.602 -0.402 2 1 742 . 1 1 A 66 66 SER CB C 66 62.200 62.831 -0.631 2 1 743 . 1 1 A 66 66 SER N N 66 114.300 116.887 -2.587 2 1 744 . 1 1 A 67 67 ASP H H 67 7.510 8.162 -0.652 2 1 745 . 1 1 A 67 67 ASP HA H 67 4.500 4.478 0.022 2 1 748 . 1 1 A 67 67 ASP CA C 67 56.700 57.040 -0.340 2 1 749 . 1 1 A 67 67 ASP CB C 67 41.000 40.423 0.577 2 1 750 . 1 1 A 67 67 ASP N N 67 119.800 122.074 -2.274 2 1 751 . 1 1 A 68 68 LEU H H 68 7.440 7.493 -0.053 2 1 752 . 1 1 A 68 68 LEU HA H 68 4.500 4.256 0.244 2 1 762 . 1 1 A 68 68 LEU CA C 68 55.700 56.211 -0.511 2 1 763 . 1 1 A 68 68 LEU CB C 68 43.500 42.383 1.117 2 1 767 . 1 1 A 68 68 LEU N N 68 113.800 117.953 -4.153 2 1 768 . 1 1 A 69 69 ILE H H 69 7.500 7.505 -0.005 2 1 769 . 1 1 A 69 69 ILE HA H 69 4.390 4.206 0.184 2 1 779 . 1 1 A 69 69 ILE CA C 69 61.700 63.278 -1.578 2 1 780 . 1 1 A 69 69 ILE CB C 69 39.600 38.874 0.726 2 1 784 . 1 1 A 69 69 ILE N N 69 112.800 117.103 -4.303 2 1 785 . 1 1 A 70 70 GLU H H 70 7.680 7.956 -0.276 2 1 786 . 1 1 A 70 70 GLU HA H 70 4.500 4.504 -0.004 2 1 791 . 1 1 A 70 70 GLU CA C 70 55.200 55.863 -0.663 2 1 792 . 1 1 A 70 70 GLU CB C 70 30.800 30.524 0.276 2 1 794 . 1 1 A 70 70 GLU N N 70 118.300 120.147 -1.847 2 1 795 . 1 1 A 71 71 ASP H H 71 8.660 8.566 0.094 2 1 796 . 1 1 A 71 71 ASP HA H 71 4.640 4.778 -0.138 2 1 799 . 1 1 A 71 71 ASP CA C 71 53.400 53.665 -0.265 2 1 800 . 1 1 A 71 71 ASP CB C 71 40.800 42.423 -1.623 2 1 801 . 1 1 A 71 71 ASP N N 71 121.100 122.628 -1.528 2 1 802 . 1 1 A 72 72 LYS H H 72 8.980 8.903 0.077 2 1 803 . 1 1 A 72 72 LYS HA H 72 4.270 4.327 -0.057 2 1 812 . 1 1 A 72 72 LYS CA C 72 56.400 57.234 -0.834 2 1 813 . 1 1 A 72 72 LYS CB C 72 32.400 32.270 0.130 2 1 817 . 1 1 A 72 72 LYS N N 72 126.200 124.653 1.547 2 1 818 . 1 1 A 73 73 LYS H H 73 8.460 7.874 0.586 2 1 819 . 1 1 A 73 73 LYS HA H 73 4.180 4.354 -0.175 2 1 828 . 1 1 A 73 73 LYS CA C 73 56.500 56.437 0.063 2 1 829 . 1 1 A 73 73 LYS CB C 73 31.600 32.306 -0.706 2 1 833 . 1 1 A 73 73 LYS N N 73 120.300 119.168 1.132 2 1 834 . 1 1 A 74 74 LEU H H 74 7.910 7.401 0.509 2 1 835 . 1 1 A 74 74 LEU HA H 74 4.260 4.470 -0.210 2 1 845 . 1 1 A 74 74 LEU CA C 74 55.000 54.322 0.678 2 1 846 . 1 1 A 74 74 LEU CB C 74 42.200 40.451 1.749 2 1 850 . 1 1 A 74 74 LEU N N 74 120.900 121.308 -0.407 2 1 851 . 1 1 A 75 75 ASN H H 75 8.320 8.370 -0.049 2 1 852 . 1 1 A 75 75 ASN HA H 75 4.710 4.904 -0.194 2 1 857 . 1 1 A 75 75 ASN CA C 75 53.000 52.666 0.334 2 1 858 . 1 1 A 75 75 ASN CB C 75 38.700 39.355 -0.655 2 1 859 . 1 1 A 75 75 ASN N N 75 119.300 121.432 -2.132 2 1 861 . 1 1 A 76 76 ILE H H 76 8.010 8.453 -0.443 2 1 862 . 1 1 A 76 76 ILE HA H 76 4.180 4.151 0.029 2 1 872 . 1 1 A 76 76 ILE CA C 76 61.000 61.819 -0.819 2 1 873 . 1 1 A 76 76 ILE CB C 76 38.700 38.061 0.639 2 1 877 . 1 1 A 76 76 ILE N N 76 120.200 124.186 -3.986 2 1 878 . 1 1 A 77 77 ASP H H 77 8.390 8.707 -0.317 2 1 879 . 1 1 A 77 77 ASP HA H 77 4.660 4.914 -0.254 2 1 882 . 1 1 A 77 77 ASP CA C 77 54.200 53.662 0.538 2 1 883 . 1 1 A 77 77 ASP CB C 77 41.100 41.694 -0.594 2 1 884 . 1 1 A 77 77 ASP N N 77 123.500 127.047 -3.548 2 1 885 . 1 1 A 78 78 THR H H 78 8.010 8.474 -0.464 2 1 886 . 1 1 A 78 78 THR HA H 78 4.310 4.497 -0.187 2 1 891 . 1 1 A 78 78 THR CA C 78 61.600 61.962 -0.362 2 1 892 . 1 1 A 78 78 THR CB C 78 69.700 69.748 -0.048 2 1 894 . 1 1 A 78 78 THR N N 78 114.200 118.252 -4.052 2 1 895 . 1 1 A 79 79 VAL H H 79 8.090 8.573 -0.483 2 1 896 . 1 1 A 79 79 VAL HA H 79 4.390 4.686 -0.296 2 1 904 . 1 1 A 79 79 VAL CA C 79 59.900 59.121 0.779 2 1 905 . 1 1 A 79 79 VAL CB C 79 32.400 32.787 -0.387 2 1 908 . 1 1 A 79 79 VAL N N 79 124.000 125.183 -1.183 2 1 909 . 1 1 A 80 80 PRO HA H 80 4.420 4.612 -0.192 2 1 916 . 1 1 A 80 80 PRO CA C 80 62.900 62.548 0.351 2 1 917 . 1 1 A 80 80 PRO CB C 80 31.900 32.179 -0.279 2 1 920 . 1 1 A 81 81 ILE H H 81 8.210 8.378 -0.168 2 1 921 . 1 1 A 81 81 ILE HA H 81 4.110 4.332 -0.222 2 1 931 . 1 1 A 81 81 ILE CA C 81 61.200 60.697 0.504 2 1 932 . 1 1 A 81 81 ILE CB C 81 38.600 39.313 -0.713 2 1 936 . 1 1 A 81 81 ILE N N 81 121.300 122.767 -1.467 2 1 937 . 1 1 A 82 82 GLU H H 82 8.510 8.674 -0.164 2 1 938 . 1 1 A 82 82 GLU HA H 82 4.300 4.514 -0.214 2 1 943 . 1 1 A 82 82 GLU CA C 82 56.300 55.972 0.328 2 1 944 . 1 1 A 82 82 GLU CB C 82 30.000 30.292 -0.292 2 1 946 . 1 1 A 82 82 GLU N N 82 124.600 127.663 -3.063 2 1 947 . 1 1 A 83 83 SER H H 83 8.330 8.568 -0.238 2 1 948 . 1 1 A 83 83 SER HA H 83 4.400 4.673 -0.273 2 1 951 . 1 1 A 83 83 SER CA C 83 58.500 57.885 0.615 2 1 952 . 1 1 A 83 83 SER CB C 83 63.600 64.621 -1.022 2 1 953 . 1 1 A 83 83 SER N N 83 116.900 119.088 -2.188 2 1 954 . 1 1 A 84 84 GLY H H 84 8.400 8.617 -0.217 2 1 955 . 1 1 A 84 84 GLY HA2 H 84 3.900 4.010 -0.110 2 1 956 . 1 1 A 84 84 GLY HA3 H 84 3.900 4.052 -0.152 2 1 957 . 1 1 A 84 84 GLY CA C 84 45.300 45.652 -0.352 2 1 958 . 1 1 A 84 84 GLY N N 84 110.400 111.609 -1.209 2 1 959 . 1 1 A 85 85 TYR H H 85 8.000 8.310 -0.310 2 1 960 . 1 1 A 85 85 TYR HA H 85 4.600 4.971 -0.371 2 1 967 . 1 1 A 85 85 TYR CA C 85 57.900 57.362 0.538 2 1 968 . 1 1 A 85 85 TYR CB C 85 38.700 40.105 -1.405 2 1 971 . 1 1 A 85 85 TYR N N 85 120.000 120.819 -0.819 2 1 972 . 1 1 A 86 86 THR H H 86 8.070 8.605 -0.535 2 1 973 . 1 1 A 86 86 THR HA H 86 4.280 4.594 -0.314 2 1 978 . 1 1 A 86 86 THR CA C 86 61.600 61.838 -0.238 2 1 979 . 1 1 A 86 86 THR CB C 86 69.700 69.573 0.127 2 stop_ save_