data_16057_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16057
_Entry.PDB_ID 2KBZ
_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 3 3 VAL HA H 41 3.360 3.601 -0.241 1
1 9 . 1 1 1 A 3 3 VAL CA C 41 64.070 66.607 -2.537 1
1 10 . 1 1 1 A 3 3 VAL CB C 41 28.620 31.736 -3.116 1
1 13 . 1 1 1 A 4 4 LYS H H 42 8.223 7.980 0.243 1
1 14 . 1 1 1 A 4 4 LYS HA H 42 3.610 4.038 -0.428 1
1 21 . 1 1 1 A 4 4 LYS C C 42 175.928 179.544 -3.616 1
1 22 . 1 1 1 A 4 4 LYS CA C 42 58.640 59.786 -1.146 1
1 23 . 1 1 1 A 4 4 LYS CB C 42 28.640 31.867 -3.227 1
1 25 . 1 1 1 A 4 4 LYS N N 42 118.080 118.797 -0.717 1
1 26 . 1 1 1 A 5 5 ARG H H 43 7.920 7.678 0.242 1
1 27 . 1 1 1 A 5 5 ARG HA H 43 4.060 4.116 -0.056 1
1 34 . 1 1 1 A 5 5 ARG C C 43 177.798 178.311 -0.513 1
1 35 . 1 1 1 A 5 5 ARG CA C 43 56.640 58.648 -2.008 1
1 36 . 1 1 1 A 5 5 ARG CB C 43 27.200 29.971 -2.771 1
1 38 . 1 1 1 A 5 5 ARG N N 43 117.720 120.487 -2.767 1
1 39 . 1 1 1 A 6 6 LEU H H 44 7.660 7.528 0.132 1
1 40 . 1 1 1 A 6 6 LEU HA H 44 4.100 4.166 -0.066 1
1 50 . 1 1 1 A 6 6 LEU C C 44 176.114 178.718 -2.604 1
1 51 . 1 1 1 A 6 6 LEU CA C 44 55.100 57.210 -2.110 1
1 52 . 1 1 1 A 6 6 LEU CB C 44 39.570 42.308 -2.738 1
1 56 . 1 1 1 A 6 6 LEU N N 44 121.040 119.204 1.836 1
1 57 . 1 1 1 A 7 7 LEU H H 45 7.520 7.929 -0.409 1
1 58 . 1 1 1 A 7 7 LEU HA H 45 4.350 4.331 0.019 1
1 68 . 1 1 1 A 7 7 LEU C C 45 172.937 178.671 -5.734 1
1 69 . 1 1 1 A 7 7 LEU CA C 45 51.480 55.603 -4.123 1
1 70 . 1 1 1 A 7 7 LEU CB C 45 40.300 42.544 -2.244 1
1 74 . 1 1 1 A 7 7 LEU N N 45 116.660 114.741 1.919 1
1 75 . 1 1 1 A 8 8 SER H H 46 7.840 8.568 -0.728 1
1 76 . 1 1 1 A 8 8 SER HA H 46 3.960 4.390 -0.430 1
1 79 . 1 1 1 A 8 8 SER CA C 46 56.360 60.839 -4.479 1
1 80 . 1 1 1 A 8 8 SER CB C 46 58.870 63.306 -4.436 1
1 81 . 1 1 1 A 8 8 SER N N 46 113.750 116.002 -2.252 1
1 82 . 1 1 1 A 9 9 ILE H H 47 8.290 7.435 0.855 1
1 83 . 1 1 1 A 9 9 ILE HA H 47 4.230 4.441 -0.211 1
1 93 . 1 1 1 A 9 9 ILE C C 47 174.540 175.822 -1.282 1
1 94 . 1 1 1 A 9 9 ILE CA C 47 58.680 59.828 -1.148 1
1 95 . 1 1 1 A 9 9 ILE CB C 47 36.912 38.157 -1.245 1
1 99 . 1 1 1 A 9 9 ILE N N 47 119.850 116.647 3.203 1
1 100 . 1 1 1 A 10 10 THR H H 48 8.760 8.560 0.200 1
1 101 . 1 1 1 A 10 10 THR HA H 48 4.465 4.500 -0.035 1
1 106 . 1 1 1 A 10 10 THR C C 48 171.266 173.735 -2.469 1
1 107 . 1 1 1 A 10 10 THR CA C 48 58.390 61.514 -3.124 1
1 108 . 1 1 1 A 10 10 THR CB C 48 66.310 68.092 -1.782 1
1 110 . 1 1 1 A 10 10 THR N N 48 117.590 115.567 2.023 1
1 111 . 1 1 1 A 11 11 ASN H H 49 7.360 8.154 -0.794 1
1 112 . 1 1 1 A 11 11 ASN HA H 49 4.909 5.006 -0.097 1
1 117 . 1 1 1 A 11 11 ASN C C 49 172.506 175.370 -2.864 1
1 118 . 1 1 1 A 11 11 ASN CA C 49 49.430 53.709 -4.279 1
1 119 . 1 1 1 A 11 11 ASN CB C 49 37.420 40.367 -2.947 1
1 120 . 1 1 1 A 11 11 ASN N N 49 113.560 118.643 -5.083 1
1 122 . 1 1 1 A 12 12 ASP H H 50 8.256 8.478 -0.222 1
1 123 . 1 1 1 A 12 12 ASP HA H 50 4.650 4.397 0.253 1
1 126 . 1 1 1 A 12 12 ASP C C 50 176.400 177.940 -1.540 1
1 127 . 1 1 1 A 12 12 ASP CA C 50 51.210 57.678 -6.468 1
1 128 . 1 1 1 A 12 12 ASP CB C 50 38.080 42.318 -4.238 1
1 129 . 1 1 1 A 12 12 ASP N N 50 117.210 120.203 -2.993 1
1 130 . 1 1 1 A 13 13 LYS H H 51 7.895 8.224 -0.329 1
1 131 . 1 1 1 A 13 13 LYS HA H 51 3.840 4.072 -0.232 1
1 140 . 1 1 1 A 13 13 LYS C C 51 174.700 176.952 -2.252 1
1 141 . 1 1 1 A 13 13 LYS CA C 51 56.320 57.652 -1.332 1
1 142 . 1 1 1 A 13 13 LYS CB C 51 29.760 33.498 -3.738 1
1 146 . 1 1 1 A 13 13 LYS N N 51 120.500 117.924 2.576 1
1 147 . 1 1 1 A 14 14 HIS H H 52 9.000 7.596 1.404 1
1 148 . 1 1 1 A 14 14 HIS HA H 52 5.120 5.093 0.027 1
1 152 . 1 1 1 A 14 14 HIS C C 52 173.200 175.556 -2.356 1
1 153 . 1 1 1 A 14 14 HIS CA C 52 52.370 55.044 -2.674 1
1 154 . 1 1 1 A 14 14 HIS CB C 52 27.520 29.739 -2.219 1
1 155 . 1 1 1 A 14 14 HIS N N 52 116.200 114.320 1.880 1
1 156 . 1 1 1 A 15 15 ASP H H 53 7.640 8.066 -0.426 1
1 157 . 1 1 1 A 15 15 ASP HA H 53 4.120 4.128 -0.008 1
1 160 . 1 1 1 A 15 15 ASP C C 53 176.183 178.397 -2.214 1
1 161 . 1 1 1 A 15 15 ASP CA C 53 56.060 57.776 -1.716 1
1 162 . 1 1 1 A 15 15 ASP CB C 53 36.350 42.060 -5.710 1
1 163 . 1 1 1 A 15 15 ASP N N 53 122.780 121.677 1.103 1
1 164 . 1 1 1 A 16 16 GLU H H 54 8.890 8.111 0.779 1
1 165 . 1 1 1 A 16 16 GLU HA H 54 4.020 4.091 -0.071 1
1 170 . 1 1 1 A 16 16 GLU CA C 54 57.770 59.130 -1.360 1
1 171 . 1 1 1 A 16 16 GLU CB C 54 26.330 29.088 -2.758 1
1 173 . 1 1 1 A 16 16 GLU N N 54 122.770 119.481 3.289 1
1 174 . 1 1 1 A 17 17 TYR H H 55 8.130 8.126 0.004 1
1 175 . 1 1 1 A 17 17 TYR HA H 55 4.390 4.239 0.151 1
1 180 . 1 1 1 A 17 17 TYR C C 55 175.213 177.862 -2.649 1
1 181 . 1 1 1 A 17 17 TYR CA C 55 58.150 61.384 -3.234 1
1 182 . 1 1 1 A 17 17 TYR CB C 55 36.000 38.517 -2.517 1
1 185 . 1 1 1 A 17 17 TYR N N 55 121.000 121.265 -0.265 1
1 186 . 1 1 1 A 18 18 LEU H H 56 8.740 8.039 0.701 1
1 187 . 1 1 1 A 18 18 LEU HA H 56 3.710 4.004 -0.294 1
1 197 . 1 1 1 A 18 18 LEU C C 56 175.500 178.902 -3.402 1
1 198 . 1 1 1 A 18 18 LEU CA C 56 55.470 58.227 -2.757 1
1 199 . 1 1 1 A 18 18 LEU CB C 56 39.920 41.290 -1.370 1
1 203 . 1 1 1 A 18 18 LEU N N 56 118.100 120.096 -1.996 1
1 204 . 1 1 1 A 19 19 THR H H 57 8.420 7.941 0.479 1
1 205 . 1 1 1 A 19 19 THR HA H 57 3.820 3.665 0.155 1
1 210 . 1 1 1 A 19 19 THR C C 57 172.234 176.797 -4.563 1
1 211 . 1 1 1 A 19 19 THR CA C 57 64.220 66.514 -2.294 1
1 212 . 1 1 1 A 19 19 THR CB C 57 66.050 68.892 -2.842 1
1 214 . 1 1 1 A 19 19 THR N N 57 114.940 115.183 -0.243 1
1 215 . 1 1 1 A 20 20 GLU H H 58 7.087 7.672 -0.585 1
1 216 . 1 1 1 A 20 20 GLU HA H 58 4.320 4.038 0.282 1
1 221 . 1 1 1 A 20 20 GLU C C 58 175.554 179.129 -3.575 1
1 222 . 1 1 1 A 20 20 GLU CA C 58 55.170 59.079 -3.909 1
1 223 . 1 1 1 A 20 20 GLU CB C 58 27.920 28.592 -0.672 1
1 225 . 1 1 1 A 20 20 GLU N N 58 117.800 120.963 -3.163 1
1 226 . 1 1 1 A 21 21 MET H H 59 8.320 7.316 1.004 1
1 227 . 1 1 1 A 21 21 MET HA H 59 4.330 3.024 1.306 1
1 235 . 1 1 1 A 21 21 MET C C 59 175.330 178.416 -3.086 1
1 236 . 1 1 1 A 21 21 MET CA C 59 54.270 57.897 -3.627 1
1 237 . 1 1 1 A 21 21 MET CB C 59 30.620 31.878 -1.258 1
1 240 . 1 1 1 A 21 21 MET N N 59 116.300 119.194 -2.894 1
1 241 . 1 1 1 A 22 22 VAL H H 60 8.800 7.669 1.131 1
1 242 . 1 1 1 A 22 22 VAL HA H 60 3.630 3.285 0.345 1
1 250 . 1 1 1 A 22 22 VAL C C 60 172.042 174.409 -2.367 1
1 251 . 1 1 1 A 22 22 VAL CA C 60 66.980 67.145 -0.165 1
1 252 . 1 1 1 A 22 22 VAL CB C 60 26.120 29.340 -3.220 1
1 255 . 1 1 1 A 22 22 VAL N N 60 117.600 119.179 -1.579 1
1 256 . 1 1 1 A 23 23 PRO HA H 61 4.270 4.301 -0.031 1
1 263 . 1 1 1 A 23 23 PRO C C 61 177.110 178.953 -1.843 1
1 264 . 1 1 1 A 23 23 PRO CA C 61 63.460 65.328 -1.868 1
1 265 . 1 1 1 A 23 23 PRO CB C 61 28.400 31.177 -2.777 1
1 267 . 1 1 1 A 24 24 LEU H H 62 6.700 7.094 -0.394 1
1 268 . 1 1 1 A 24 24 LEU HA H 62 4.250 3.963 0.287 1
1 278 . 1 1 1 A 24 24 LEU C C 62 177.872 179.155 -1.283 1
1 279 . 1 1 1 A 24 24 LEU CA C 62 55.130 57.669 -2.539 1
1 280 . 1 1 1 A 24 24 LEU CB C 62 39.440 41.715 -2.275 1
1 284 . 1 1 1 A 24 24 LEU N N 62 115.750 117.336 -1.586 1
1 285 . 1 1 1 A 25 25 LEU H H 63 8.190 7.593 0.597 1
1 286 . 1 1 1 A 25 25 LEU HA H 63 3.920 4.179 -0.259 1
1 296 . 1 1 1 A 25 25 LEU C C 63 176.367 178.588 -2.221 1
1 297 . 1 1 1 A 25 25 LEU CA C 63 54.950 58.109 -3.159 1
1 298 . 1 1 1 A 25 25 LEU CB C 63 41.090 41.809 -0.719 1
1 302 . 1 1 1 A 25 25 LEU N N 63 121.800 120.369 1.431 1
1 303 . 1 1 1 A 26 26 VAL H H 64 8.590 8.613 -0.023 1
1 304 . 1 1 1 A 26 26 VAL HA H 64 3.480 3.559 -0.079 1
1 312 . 1 1 1 A 26 26 VAL C C 64 174.801 177.323 -2.522 1
1 313 . 1 1 1 A 26 26 VAL CA C 64 64.860 66.977 -2.117 1
1 314 . 1 1 1 A 26 26 VAL CB C 64 28.900 31.232 -2.332 1
1 317 . 1 1 1 A 26 26 VAL N N 64 120.990 119.396 1.594 1
1 318 . 1 1 1 A 27 27 GLU H H 65 8.090 7.927 0.163 1
1 319 . 1 1 1 A 27 27 GLU HA H 65 3.970 3.501 0.469 1
1 324 . 1 1 1 A 27 27 GLU C C 65 176.169 178.954 -2.785 1
1 325 . 1 1 1 A 27 27 GLU CA C 65 56.990 58.848 -1.858 1
1 326 . 1 1 1 A 27 27 GLU CB C 65 26.540 29.460 -2.920 1
1 328 . 1 1 1 A 27 27 GLU N N 65 118.990 118.870 0.120 1
1 329 . 1 1 1 A 28 28 PHE H H 66 8.075 7.654 0.421 1
1 330 . 1 1 1 A 28 28 PHE HA H 66 4.570 4.144 0.426 1
1 337 . 1 1 1 A 28 28 PHE C C 66 173.482 176.938 -3.456 1
1 338 . 1 1 1 A 28 28 PHE CA C 66 58.390 60.961 -2.571 1
1 339 . 1 1 1 A 28 28 PHE CB C 66 36.680 38.655 -1.975 1
1 340 . 1 1 1 A 28 28 PHE N N 66 119.000 120.123 -1.123 1
1 341 . 1 1 1 A 29 29 ALA H H 67 8.420 8.442 -0.022 1
1 342 . 1 1 1 A 29 29 ALA HA H 67 3.500 3.649 -0.149 1
1 346 . 1 1 1 A 29 29 ALA C C 67 176.624 179.201 -2.577 1
1 347 . 1 1 1 A 29 29 ALA CA C 67 52.800 54.637 -1.837 1
1 348 . 1 1 1 A 29 29 ALA CB C 67 15.290 18.126 -2.836 1
1 349 . 1 1 1 A 29 29 ALA N N 67 121.810 122.520 -0.710 1
1 350 . 1 1 1 A 30 30 LYS H H 68 8.227 7.375 0.852 1
1 351 . 1 1 1 A 30 30 LYS HA H 68 4.090 4.050 0.040 1
1 360 . 1 1 1 A 30 30 LYS C C 68 177.400 179.112 -1.712 1
1 361 . 1 1 1 A 30 30 LYS CA C 68 56.700 58.946 -2.246 1
1 362 . 1 1 1 A 30 30 LYS CB C 68 31.230 32.081 -0.851 1
1 366 . 1 1 1 A 30 30 LYS N N 68 117.500 117.089 0.411 1
1 367 . 1 1 1 A 31 31 ASP H H 69 7.820 7.752 0.068 1
1 368 . 1 1 1 A 31 31 ASP HA H 69 4.210 4.685 -0.475 1
1 371 . 1 1 1 A 31 31 ASP C C 69 176.438 178.280 -1.842 1
1 372 . 1 1 1 A 31 31 ASP CA C 69 54.310 56.914 -2.604 1
1 373 . 1 1 1 A 31 31 ASP CB C 69 38.320 41.474 -3.154 1
1 374 . 1 1 1 A 31 31 ASP N N 69 120.370 119.631 0.739 1
1 375 . 1 1 1 A 32 32 GLU H H 70 8.840 8.550 0.290 1
1 376 . 1 1 1 A 32 32 GLU HA H 70 3.730 4.017 -0.287 1
1 381 . 1 1 1 A 32 32 GLU C C 70 176.119 178.575 -2.456 1
1 382 . 1 1 1 A 32 32 GLU CA C 70 55.270 59.438 -4.168 1
1 383 . 1 1 1 A 32 32 GLU CB C 70 26.810 29.061 -2.251 1
1 385 . 1 1 1 A 32 32 GLU N N 70 120.750 117.996 2.754 1
1 386 . 1 1 1 A 33 33 CYS H H 71 7.960 8.216 -0.256 1
1 387 . 1 1 1 A 33 33 CYS HA H 71 4.070 4.397 -0.327 1
1 390 . 1 1 1 A 33 33 CYS C C 71 170.993 174.838 -3.845 1
1 391 . 1 1 1 A 33 33 CYS CA C 71 58.160 59.726 -1.566 1
1 392 . 1 1 1 A 33 33 CYS CB C 71 26.000 28.275 -2.275 1
1 393 . 1 1 1 A 33 33 CYS N N 71 111.530 117.096 -5.566 1
1 394 . 1 1 1 A 34 34 HIS H H 72 7.560 7.916 -0.356 1
1 395 . 1 1 1 A 34 34 HIS HA H 72 4.040 4.238 -0.198 1
1 398 . 1 1 1 A 34 34 HIS C C 72 170.400 173.939 -3.539 1
1 399 . 1 1 1 A 34 34 HIS CA C 72 53.230 57.115 -3.885 1
1 400 . 1 1 1 A 34 34 HIS CB C 72 23.830 26.635 -2.805 1
1 401 . 1 1 1 A 34 34 HIS N N 72 118.100 116.115 1.985 1
1 402 . 1 1 1 A 35 35 ASN H H 73 7.590 8.145 -0.555 1
1 403 . 1 1 1 A 35 35 ASN HA H 73 4.805 4.752 0.053 1
1 408 . 1 1 1 A 35 35 ASN C C 73 170.429 175.012 -4.583 1
1 409 . 1 1 1 A 35 35 ASN CA C 73 46.130 51.564 -5.434 1
1 410 . 1 1 1 A 35 35 ASN CB C 73 39.580 38.651 0.929 1
1 411 . 1 1 1 A 35 35 ASN N N 73 112.400 117.432 -5.032 1
1 413 . 1 1 1 A 36 36 PRO HA H 74 4.120 4.418 -0.298 1
1 420 . 1 1 1 A 36 36 PRO C C 74 173.450 176.564 -3.114 1
1 421 . 1 1 1 A 36 36 PRO CA C 74 59.950 62.362 -2.412 1
1 422 . 1 1 1 A 36 36 PRO CB C 74 29.200 29.033 0.167 1
1 425 . 1 1 1 A 37 37 PHE H H 75 8.057 6.893 1.164 1
1 426 . 1 1 1 A 37 37 PHE HA H 75 4.200 4.590 -0.390 1
1 432 . 1 1 1 A 37 37 PHE C C 75 171.107 174.832 -3.725 1
1 433 . 1 1 1 A 37 37 PHE CA C 75 55.120 57.134 -2.014 1
1 434 . 1 1 1 A 37 37 PHE CB C 75 33.760 39.084 -5.324 1
1 436 . 1 1 1 A 38 38 ILE H H 76 7.610 7.431 0.179 1
1 437 . 1 1 1 A 38 38 ILE HA H 76 4.870 4.864 0.006 1
1 447 . 1 1 1 A 38 38 ILE C C 76 174.180 174.018 0.162 1
1 448 . 1 1 1 A 38 38 ILE CA C 76 56.300 59.930 -3.630 1
1 449 . 1 1 1 A 38 38 ILE CB C 76 38.040 41.056 -3.016 1
1 453 . 1 1 1 A 38 38 ILE N N 76 113.800 121.065 -7.265 1
1 454 . 1 1 1 A 39 39 ASP H H 77 8.830 8.999 -0.169 1
1 455 . 1 1 1 A 39 39 ASP HA H 77 4.710 5.036 -0.326 1
1 458 . 1 1 1 A 39 39 ASP C C 77 175.969 176.631 -0.662 1
1 459 . 1 1 1 A 39 39 ASP CA C 77 49.800 52.071 -2.271 1
1 460 . 1 1 1 A 39 39 ASP CB C 77 39.180 43.644 -4.464 1
1 461 . 1 1 1 A 39 39 ASP N N 77 125.380 124.987 0.393 1
1 462 . 1 1 1 A 40 40 LYS H H 78 8.370 8.869 -0.499 1
1 463 . 1 1 1 A 40 40 LYS HA H 78 4.100 3.986 0.114 1
1 468 . 1 1 1 A 40 40 LYS C C 78 174.100 177.354 -3.254 1
1 469 . 1 1 1 A 40 40 LYS CA C 78 55.800 58.587 -2.787 1
1 470 . 1 1 1 A 40 40 LYS CB C 78 29.120 32.477 -3.357 1
1 471 . 1 1 1 A 40 40 LYS N N 78 116.800 125.939 -9.139 1
1 472 . 1 1 1 A 41 41 ASP H H 79 8.030 7.766 0.264 1
1 473 . 1 1 1 A 41 41 ASP HA H 79 4.810 4.772 0.038 1
1 476 . 1 1 1 A 41 41 ASP C C 79 173.360 176.443 -3.083 1
1 477 . 1 1 1 A 41 41 ASP CA C 79 51.650 53.970 -2.320 1
1 478 . 1 1 1 A 41 41 ASP CB C 79 39.570 41.573 -2.003 1
1 479 . 1 1 1 A 41 41 ASP N N 79 118.660 118.395 0.265 1
1 480 . 1 1 1 A 42 42 GLY H H 80 8.090 8.315 -0.225 1
1 481 . 1 1 1 A 42 42 GLY HA2 H 80 4.230 3.930 0.300 1
1 482 . 1 1 1 A 42 42 GLY HA3 H 80 3.490 3.933 -0.443 1
1 483 . 1 1 1 A 42 42 GLY C C 80 171.399 174.134 -2.735 1
1 484 . 1 1 1 A 42 42 GLY CA C 80 42.720 45.701 -2.981 1
1 485 . 1 1 1 A 42 42 GLY N N 80 107.750 107.921 -0.171 1
1 486 . 1 1 1 A 43 43 ASN H H 81 8.470 8.000 0.470 1
1 487 . 1 1 1 A 43 43 ASN HA H 81 4.815 5.076 -0.261 1
1 492 . 1 1 1 A 43 43 ASN C C 81 172.066 174.941 -2.875 1
1 493 . 1 1 1 A 43 43 ASN CA C 81 49.580 51.642 -2.062 1
1 494 . 1 1 1 A 43 43 ASN CB C 81 36.800 40.758 -3.958 1
1 495 . 1 1 1 A 43 43 ASN N N 81 117.600 119.225 -1.625 1
1 497 . 1 1 1 A 44 44 GLU H H 82 8.730 8.527 0.203 1
1 498 . 1 1 1 A 44 44 GLU HA H 82 4.370 4.374 -0.004 1
1 503 . 1 1 1 A 44 44 GLU C C 82 173.651 175.765 -2.114 1
1 504 . 1 1 1 A 44 44 GLU CA C 82 55.170 56.728 -1.558 1
1 505 . 1 1 1 A 44 44 GLU CB C 82 27.740 29.953 -2.213 1
1 507 . 1 1 1 A 44 44 GLU N N 82 123.400 121.424 1.976 1
1 508 . 1 1 1 A 45 45 SER H H 83 8.960 9.058 -0.098 1
1 509 . 1 1 1 A 45 45 SER HA H 83 4.510 5.179 -0.669 1
1 512 . 1 1 1 A 45 45 SER C C 83 170.100 172.839 -2.739 1
1 513 . 1 1 1 A 45 45 SER CA C 83 53.800 57.083 -3.283 1
1 514 . 1 1 1 A 45 45 SER CB C 83 60.320 65.533 -5.213 1
1 515 . 1 1 1 A 45 45 SER N N 83 123.400 116.678 6.722 1
1 516 . 1 1 1 A 46 46 ILE H H 84 8.990 8.801 0.189 1
1 517 . 1 1 1 A 46 46 ILE HA H 84 3.880 4.597 -0.717 1
1 527 . 1 1 1 A 46 46 ILE C C 84 177.600 174.572 3.028 1
1 528 . 1 1 1 A 46 46 ILE CA C 84 55.490 57.605 -2.115 1
1 529 . 1 1 1 A 46 46 ILE CB C 84 34.850 41.809 -6.959 1
1 533 . 1 1 1 A 46 46 ILE N N 84 127.800 125.266 2.534 1
1 534 . 1 1 1 A 47 47 PRO HA H 85 3.840 4.679 -0.839 1
1 541 . 1 1 1 A 47 47 PRO C C 85 172.918 176.912 -3.994 1
1 542 . 1 1 1 A 47 47 PRO CA C 85 61.880 61.936 -0.056 1
1 543 . 1 1 1 A 47 47 PRO CB C 85 34.920 33.097 1.823 1
1 546 . 1 1 1 A 48 48 SER H H 86 7.780 8.707 -0.927 1
1 547 . 1 1 1 A 48 48 SER C C 86 174.554 176.912 -2.358 1
1 548 . 1 1 1 A 49 49 GLY H H 87 8.230 8.280 -0.050 1
1 549 . 1 1 1 A 49 49 GLY HA2 H 87 4.300 3.682 0.618 1
1 550 . 1 1 1 A 49 49 GLY HA3 H 87 3.950 3.685 0.265 1
1 551 . 1 1 1 A 49 49 GLY C C 87 173.507 175.513 -2.006 1
1 552 . 1 1 1 A 49 49 GLY CA C 87 44.600 47.403 -2.803 1
1 553 . 1 1 1 A 49 49 GLY N N 87 105.900 109.216 -3.316 1
1 554 . 1 1 1 A 50 50 VAL H H 88 6.855 8.172 -1.317 1
1 555 . 1 1 1 A 50 50 VAL HA H 88 3.510 3.873 -0.363 1
1 563 . 1 1 1 A 50 50 VAL C C 88 174.450 178.230 -3.780 1
1 564 . 1 1 1 A 50 50 VAL CA C 88 62.420 66.136 -3.716 1
1 565 . 1 1 1 A 50 50 VAL CB C 88 28.000 31.538 -3.538 1
1 568 . 1 1 1 A 50 50 VAL N N 88 119.950 122.567 -2.617 1
1 569 . 1 1 1 A 51 51 LEU H H 89 7.360 7.743 -0.383 1
1 570 . 1 1 1 A 51 51 LEU HA H 89 3.570 4.062 -0.492 1
1 580 . 1 1 1 A 51 51 LEU C C 89 175.078 178.361 -3.283 1
1 581 . 1 1 1 A 51 51 LEU CA C 89 55.490 58.237 -2.747 1
1 582 . 1 1 1 A 51 51 LEU CB C 89 37.320 41.873 -4.553 1
1 586 . 1 1 1 A 51 51 LEU N N 89 122.100 121.361 0.739 1
1 587 . 1 1 1 A 52 52 ILE H H 90 7.770 7.630 0.140 1
1 588 . 1 1 1 A 52 52 ILE HA H 90 3.600 3.849 -0.249 1
1 598 . 1 1 1 A 52 52 ILE C C 90 175.000 178.084 -3.084 1
1 599 . 1 1 1 A 52 52 ILE CA C 90 62.720 64.520 -1.800 1
1 600 . 1 1 1 A 52 52 ILE CB C 90 34.510 37.378 -2.868 1
1 604 . 1 1 1 A 52 52 ILE N N 90 117.460 115.055 2.405 1
1 605 . 1 1 1 A 53 53 PHE H H 91 7.400 8.007 -0.607 1
1 606 . 1 1 1 A 53 53 PHE HA H 91 3.900 4.203 -0.303 1
1 613 . 1 1 1 A 53 53 PHE C C 91 172.073 177.071 -4.998 1
1 614 . 1 1 1 A 53 53 PHE CA C 91 59.340 61.464 -2.124 1
1 615 . 1 1 1 A 53 53 PHE CB C 91 35.540 38.939 -3.399 1
1 616 . 1 1 1 A 53 53 PHE N N 91 119.280 124.734 -5.454 1
1 617 . 1 1 1 A 54 54 VAL H H 92 8.450 8.175 0.275 1
1 618 . 1 1 1 A 54 54 VAL HA H 92 2.850 3.380 -0.530 1
1 626 . 1 1 1 A 54 54 VAL C C 92 174.300 177.923 -3.623 1
1 627 . 1 1 1 A 54 54 VAL CA C 92 63.860 65.163 -1.303 1
1 628 . 1 1 1 A 54 54 VAL CB C 92 28.570 30.992 -2.422 1
1 631 . 1 1 1 A 54 54 VAL N N 92 119.170 118.055 1.115 1
1 632 . 1 1 1 A 55 55 ALA H H 93 8.615 8.138 0.477 1
1 633 . 1 1 1 A 55 55 ALA HA H 93 3.750 3.945 -0.195 1
1 637 . 1 1 1 A 55 55 ALA C C 93 176.294 179.502 -3.208 1
1 638 . 1 1 1 A 55 55 ALA CA C 93 52.800 55.690 -2.890 1
1 639 . 1 1 1 A 55 55 ALA CB C 93 16.050 18.430 -2.380 1
1 640 . 1 1 1 A 55 55 ALA N N 93 120.170 123.973 -3.803 1
1 641 . 1 1 1 A 56 56 LYS H H 94 8.548 8.137 0.411 1
1 642 . 1 1 1 A 56 56 LYS HA H 94 3.980 4.136 -0.156 1
1 649 . 1 1 1 A 56 56 LYS C C 94 177.600 178.894 -1.294 1
1 650 . 1 1 1 A 56 56 LYS CA C 94 55.800 59.084 -3.284 1
1 651 . 1 1 1 A 56 56 LYS CB C 94 29.500 31.976 -2.476 1
1 654 . 1 1 1 A 56 56 LYS N N 94 115.200 116.518 -1.318 1
1 655 . 1 1 1 A 57 57 ALA H H 95 8.840 8.006 0.834 1
1 656 . 1 1 1 A 57 57 ALA HA H 95 3.940 4.148 -0.208 1
1 660 . 1 1 1 A 57 57 ALA C C 95 175.754 179.988 -4.234 1
1 661 . 1 1 1 A 57 57 ALA CA C 95 52.670 55.050 -2.380 1
1 662 . 1 1 1 A 57 57 ALA CB C 95 16.070 17.942 -1.872 1
1 663 . 1 1 1 A 57 57 ALA N N 95 124.210 122.295 1.915 1
1 664 . 1 1 1 A 58 58 ALA H H 96 8.816 7.527 1.289 1
1 665 . 1 1 1 A 58 58 ALA HA H 96 4.043 4.096 -0.053 1
1 669 . 1 1 1 A 58 58 ALA C C 96 177.600 179.743 -2.143 1
1 670 . 1 1 1 A 58 58 ALA CA C 96 52.770 54.607 -1.837 1
1 671 . 1 1 1 A 58 58 ALA CB C 96 13.560 18.407 -4.847 1
1 672 . 1 1 1 A 58 58 ALA N N 96 120.500 120.216 0.284 1
1 673 . 1 1 1 A 59 59 GLN H H 97 8.490 8.433 0.057 1
1 674 . 1 1 1 A 59 59 GLN HA H 97 3.960 4.203 -0.243 1
1 681 . 1 1 1 A 59 59 GLN C C 97 175.100 178.285 -3.185 1
1 682 . 1 1 1 A 59 59 GLN CA C 97 56.370 58.205 -1.835 1
1 683 . 1 1 1 A 59 59 GLN CB C 97 26.500 27.950 -1.450 1
1 684 . 1 1 1 A 59 59 GLN N N 97 118.750 116.156 2.594 1
1 686 . 1 1 1 A 60 60 PHE H H 98 8.020 7.949 0.071 1
1 687 . 1 1 1 A 60 60 PHE HA H 98 4.120 4.237 -0.117 1
1 694 . 1 1 1 A 60 60 PHE C C 98 174.780 176.914 -2.134 1
1 695 . 1 1 1 A 60 60 PHE CA C 98 58.650 61.536 -2.886 1
1 696 . 1 1 1 A 60 60 PHE CB C 98 35.240 39.204 -3.964 1
1 697 . 1 1 1 A 60 60 PHE N N 98 122.380 121.647 0.733 1
1 698 . 1 1 1 A 61 61 TYR H H 99 7.900 8.514 -0.614 1
1 699 . 1 1 1 A 61 61 TYR HA H 99 3.900 4.170 -0.270 1
1 704 . 1 1 1 A 61 61 TYR C C 99 175.494 177.780 -2.286 1
1 705 . 1 1 1 A 61 61 TYR CA C 99 60.600 61.528 -0.928 1
1 706 . 1 1 1 A 61 61 TYR CB C 99 36.120 38.548 -2.428 1
1 707 . 1 1 1 A 61 61 TYR N N 99 118.100 119.783 -1.683 1
1 708 . 1 1 1 A 62 62 MET H H 100 8.170 8.243 -0.073 1
1 709 . 1 1 1 A 62 62 MET HA H 100 3.810 4.171 -0.361 1
1 717 . 1 1 1 A 62 62 MET C C 100 175.130 178.423 -3.293 1
1 718 . 1 1 1 A 62 62 MET CA C 100 56.270 58.101 -1.831 1
1 719 . 1 1 1 A 62 62 MET CB C 100 31.260 32.282 -1.022 1
1 722 . 1 1 1 A 62 62 MET N N 100 118.350 118.188 0.162 1
1 723 . 1 1 1 A 63 63 THR H H 101 7.720 8.005 -0.285 1
1 724 . 1 1 1 A 63 63 THR HA H 101 4.120 4.071 0.049 1
1 729 . 1 1 1 A 63 63 THR C C 101 172.265 176.508 -4.243 1
1 730 . 1 1 1 A 63 63 THR CA C 101 60.060 65.671 -5.611 1
1 731 . 1 1 1 A 63 63 THR CB C 101 66.880 68.512 -1.632 1
1 733 . 1 1 1 A 63 63 THR N N 101 110.720 114.227 -3.507 1
1 734 . 1 1 1 A 64 64 ASN H H 102 7.620 7.854 -0.234 1
1 735 . 1 1 1 A 64 64 ASN HA H 102 4.541 4.700 -0.159 1
1 740 . 1 1 1 A 64 64 ASN C C 102 172.591 176.903 -4.312 1
1 741 . 1 1 1 A 64 64 ASN CA C 102 51.480 55.341 -3.861 1
1 742 . 1 1 1 A 64 64 ASN CB C 102 36.830 39.171 -2.341 1
1 743 . 1 1 1 A 64 64 ASN N N 102 114.000 119.616 -5.616 1
1 745 . 1 1 1 A 65 65 ALA H H 103 8.060 8.023 0.037 1
1 746 . 1 1 1 A 65 65 ALA HA H 103 4.183 4.432 -0.249 1
1 750 . 1 1 1 A 65 65 ALA C C 103 176.032 178.404 -2.372 1
1 751 . 1 1 1 A 65 65 ALA CA C 103 51.130 51.606 -0.476 1
1 752 . 1 1 1 A 65 65 ALA CB C 103 16.230 18.942 -2.712 1
1 753 . 1 1 1 A 65 65 ALA N N 103 123.910 119.181 4.729 1
1 754 . 1 1 1 A 66 66 GLY H H 104 8.220 8.129 0.091 1
1 755 . 1 1 1 A 66 66 GLY HA2 H 104 3.883 3.837 0.046 1
1 756 . 1 1 1 A 66 66 GLY C C 104 172.222 175.244 -3.022 1
1 757 . 1 1 1 A 66 66 GLY CA C 104 43.170 46.095 -2.925 1
1 758 . 1 1 1 A 66 66 GLY N N 104 106.420 107.684 -1.264 1
1 759 . 1 1 1 A 67 67 LEU H H 105 7.890 7.438 0.452 1
1 760 . 1 1 1 A 67 67 LEU HA H 105 4.290 4.541 -0.251 1
1 770 . 1 1 1 A 67 67 LEU C C 105 175.406 178.060 -2.654 1
1 771 . 1 1 1 A 67 67 LEU CA C 105 53.110 55.458 -2.348 1
1 772 . 1 1 1 A 67 67 LEU CB C 105 39.740 43.071 -3.331 1
1 776 . 1 1 1 A 67 67 LEU N N 105 120.570 117.164 3.406 1
1 777 . 1 1 1 A 68 68 THR H H 106 7.940 8.149 -0.209 1
1 778 . 1 1 1 A 68 68 THR HA H 106 4.330 4.410 -0.080 1
1 783 . 1 1 1 A 68 68 THR C C 106 172.806 176.002 -3.196 1
1 784 . 1 1 1 A 68 68 THR CA C 106 59.700 61.867 -2.167 1
1 785 . 1 1 1 A 68 68 THR CB C 106 67.140 69.337 -2.197 1
1 787 . 1 1 1 A 68 68 THR N N 106 111.750 110.789 0.961 1
1 788 . 1 1 1 A 69 69 GLY H H 107 8.340 8.059 0.281 1
1 789 . 1 1 1 A 69 69 GLY HA2 H 107 3.940 3.741 0.199 1
1 790 . 1 1 1 A 69 69 GLY C C 107 171.503 175.175 -3.672 1
1 791 . 1 1 1 A 69 69 GLY CA C 107 42.990 47.156 -4.166 1
1 792 . 1 1 1 A 69 69 GLY N N 107 110.910 111.487 -0.577 1
1 793 . 1 1 1 A 70 70 ARG H H 108 7.930 8.153 -0.223 1
1 794 . 1 1 1 A 70 70 ARG HA H 108 4.355 3.982 0.373 1
1 801 . 1 1 1 A 70 70 ARG C C 108 173.543 176.160 -2.617 1
1 802 . 1 1 1 A 70 70 ARG CA C 108 53.170 57.608 -4.438 1
1 803 . 1 1 1 A 70 70 ARG CB C 108 28.470 30.031 -1.561 1
1 806 . 1 1 1 A 70 70 ARG N N 108 119.900 120.050 -0.150 1
1 807 . 1 1 1 A 71 71 SER H H 109 8.400 8.227 0.173 1
1 808 . 1 1 1 A 71 71 SER HA H 109 4.409 4.639 -0.230 1
1 811 . 1 1 1 A 71 71 SER C C 109 172.430 174.097 -1.667 1
1 812 . 1 1 1 A 71 71 SER CA C 109 55.630 57.889 -2.259 1
1 813 . 1 1 1 A 71 71 SER CB C 109 61.060 63.484 -2.424 1
1 814 . 1 1 1 A 71 71 SER N N 109 116.970 112.590 4.380 1
1 815 . 1 1 1 A 72 72 MET H H 110 8.590 8.066 0.524 1
1 816 . 1 1 1 A 72 72 MET HA H 110 4.394 4.565 -0.171 1
1 822 . 1 1 1 A 72 72 MET C C 110 173.487 175.262 -1.775 1
1 823 . 1 1 1 A 72 72 MET CA C 110 53.320 55.520 -2.200 1
1 824 . 1 1 1 A 72 72 MET CB C 110 29.300 31.997 -2.697 1
1 825 . 1 1 1 A 72 72 MET N N 110 122.250 118.906 3.344 1
1 826 . 1 1 1 A 73 73 ASP H H 111 8.260 8.795 -0.535 1
1 827 . 1 1 1 A 73 73 ASP HA H 111 4.514 4.700 -0.186 1
1 830 . 1 1 1 A 73 73 ASP C C 111 173.886 175.335 -1.449 1
1 831 . 1 1 1 A 73 73 ASP CA C 111 52.150 53.944 -1.794 1
1 832 . 1 1 1 A 73 73 ASP CB C 111 38.310 40.259 -1.949 1
1 833 . 1 1 1 A 73 73 ASP N N 111 119.420 122.749 -3.329 1
1 834 . 1 1 1 A 74 74 THR H H 112 7.900 7.418 0.482 1
1 835 . 1 1 1 A 74 74 THR HA H 112 4.142 4.756 -0.614 1
1 840 . 1 1 1 A 74 74 THR C C 112 172.029 172.527 -0.498 1
1 841 . 1 1 1 A 74 74 THR CA C 112 59.640 61.626 -1.986 1
1 842 . 1 1 1 A 74 74 THR CB C 112 66.820 71.709 -4.889 1
1 844 . 1 1 1 A 74 74 THR N N 112 112.950 112.347 0.603 1
1 845 . 1 1 1 A 75 75 VAL H H 113 7.840 7.575 0.265 1
1 846 . 1 1 1 A 75 75 VAL HA H 113 3.950 4.275 -0.325 1
1 854 . 1 1 1 A 75 75 VAL C C 113 173.067 174.025 -0.958 1
1 855 . 1 1 1 A 75 75 VAL CA C 113 60.070 59.904 0.166 1
1 856 . 1 1 1 A 75 75 VAL CB C 113 29.740 34.643 -4.903 1
1 859 . 1 1 1 A 75 75 VAL N N 113 121.540 124.167 -2.627 1
1 860 . 1 1 1 A 76 76 SER H H 114 8.020 8.484 -0.464 1
1 861 . 1 1 1 A 76 76 SER HA H 114 3.974 4.448 -0.474 1
1 864 . 1 1 1 A 76 76 SER C C 114 171.259 173.112 -1.853 1
1 865 . 1 1 1 A 76 76 SER CA C 114 55.100 57.683 -2.583 1
1 866 . 1 1 1 A 76 76 SER CB C 114 61.160 61.222 -0.062 1
1 867 . 1 1 1 A 76 76 SER N N 114 117.830 119.595 -1.765 1
1 868 . 1 1 1 A 77 77 TYR H H 115 7.770 7.805 -0.035 1
1 869 . 1 1 1 A 77 77 TYR HA H 115 4.240 4.111 0.129 1
1 874 . 1 1 1 A 77 77 TYR C C 115 172.865 177.031 -4.166 1
1 875 . 1 1 1 A 77 77 TYR CA C 115 55.100 58.880 -3.780 1
1 876 . 1 1 1 A 77 77 TYR CB C 115 36.110 38.519 -2.409 1
1 877 . 1 1 1 A 77 77 TYR N N 115 121.280 123.739 -2.459 1
1 878 . 1 1 1 A 78 78 ASN HA H 116 4.790 4.485 0.305 1
1 883 . 1 1 1 A 78 78 ASN C C 116 172.080 177.286 -5.206 1
1 884 . 1 1 1 A 78 78 ASN CA C 116 48.910 54.637 -5.727 1
1 885 . 1 1 1 A 78 78 ASN CB C 116 35.500 37.679 -2.179 1
1 886 . 1 1 1 A 78 78 ASN N N 116 112.900 121.491 -8.591 1
1 887 . 1 1 1 A 79 79 PHE H H 117 7.410 7.327 0.083 1
1 888 . 1 1 1 A 79 79 PHE HA H 117 4.440 4.134 0.306 1
1 895 . 1 1 1 A 79 79 PHE C C 117 174.370 178.469 -4.099 1
1 896 . 1 1 1 A 79 79 PHE CA C 117 56.890 60.235 -3.345 1
1 897 . 1 1 1 A 79 79 PHE CB C 117 34.540 38.036 -3.496 1
1 898 . 1 1 1 A 79 79 PHE N N 117 121.190 117.655 3.535 1
1 899 . 1 1 1 A 80 80 ALA H H 118 8.560 7.720 0.840 1
1 900 . 1 1 1 A 80 80 ALA HA H 118 4.140 3.984 0.156 1
1 904 . 1 1 1 A 80 80 ALA C C 118 176.482 177.779 -1.297 1
1 905 . 1 1 1 A 80 80 ALA CA C 118 52.430 54.156 -1.726 1
1 906 . 1 1 1 A 80 80 ALA CB C 118 16.160 18.569 -2.409 1
1 907 . 1 1 1 A 80 80 ALA N N 118 115.100 121.210 -6.110 1
1 908 . 1 1 1 A 81 81 THR H H 119 7.330 8.302 -0.972 1
1 909 . 1 1 1 A 81 81 THR HA H 119 4.450 4.626 -0.176 1
1 914 . 1 1 1 A 81 81 THR C C 119 172.909 173.362 -0.453 1
1 915 . 1 1 1 A 81 81 THR CA C 119 59.270 61.326 -2.056 1
1 916 . 1 1 1 A 81 81 THR CB C 119 66.770 70.681 -3.911 1
1 918 . 1 1 1 A 81 81 THR N N 119 104.710 112.191 -7.481 1
1 919 . 1 1 1 A 82 82 GLU H H 120 7.890 7.814 0.076 1
1 920 . 1 1 1 A 82 82 GLU HA H 120 4.260 4.702 -0.442 1
1 924 . 1 1 1 A 82 82 GLU C C 120 177.060 174.822 2.238 1
1 925 . 1 1 1 A 82 82 GLU CA C 120 54.740 54.777 -0.037 1
1 926 . 1 1 1 A 82 82 GLU N N 120 120.760 120.089 0.671 1
1 927 . 1 1 1 A 83 83 ILE H H 121 7.630 7.814 -0.184 1
1 928 . 1 1 1 A 83 83 ILE HA H 121 3.330 3.728 -0.398 1
1 938 . 1 1 1 A 83 83 ILE CA C 121 57.580 61.819 -4.239 1
1 939 . 1 1 1 A 83 83 ILE CB C 121 35.770 36.663 -0.893 1
1 943 . 1 1 1 A 83 83 ILE N N 121 118.900 117.692 1.208 1
1 944 . 1 1 1 A 84 84 PRO HA H 122 4.200 4.408 -0.208 1
1 951 . 1 1 1 A 84 84 PRO CA C 122 60.510 62.795 -2.285 1
1 952 . 1 1 1 A 84 84 PRO CB C 122 27.260 31.451 -4.191 1
1 955 . 1 1 1 A 86 86 THR HA H 124 3.869 4.003 -0.134 1
1 960 . 1 1 1 A 86 86 THR C C 124 172.991 176.782 -3.791 1
1 961 . 1 1 1 A 86 86 THR CA C 124 61.980 66.831 -4.851 1
1 962 . 1 1 1 A 86 86 THR CB C 124 65.710 67.957 -2.247 1
1 964 . 1 1 1 A 87 87 ILE H H 125 7.340 7.640 -0.300 1
1 965 . 1 1 1 A 87 87 ILE HA H 125 3.920 3.828 0.092 1
1 975 . 1 1 1 A 87 87 ILE C C 125 175.375 177.708 -2.333 1
1 976 . 1 1 1 A 87 87 ILE CA C 125 61.900 64.142 -2.242 1
1 977 . 1 1 1 A 87 87 ILE CB C 125 35.690 37.545 -1.855 1
1 981 . 1 1 1 A 87 87 ILE N N 125 120.800 116.820 3.980 1
1 982 . 1 1 1 A 88 88 LEU HA H 126 4.070 3.717 0.353 1
1 992 . 1 1 1 A 88 88 LEU C C 126 177.060 178.340 -1.280 1
1 993 . 1 1 1 A 88 88 LEU CA C 126 55.950 57.826 -1.876 1
1 994 . 1 1 1 A 88 88 LEU CB C 126 39.710 41.850 -2.140 1
1 998 . 1 1 1 A 89 89 LYS H H 127 8.095 7.533 0.562 1
1 999 . 1 1 1 A 89 89 LYS HA H 127 4.030 4.093 -0.063 1
1 1008 . 1 1 1 A 89 89 LYS C C 127 176.400 178.431 -2.031 1
1 1009 . 1 1 1 A 89 89 LYS CA C 127 56.010 58.791 -2.781 1
1 1010 . 1 1 1 A 89 89 LYS CB C 127 29.650 32.410 -2.760 1
1 1014 . 1 1 1 A 89 89 LYS N N 127 116.100 119.284 -3.184 1
1 1015 . 1 1 1 A 90 90 LYS H H 128 7.848 7.864 -0.016 1
1 1016 . 1 1 1 A 90 90 LYS HA H 128 4.160 3.992 0.168 1
1 1019 . 1 1 1 A 90 90 LYS C C 128 174.859 178.321 -3.462 1
1 1020 . 1 1 1 A 90 90 LYS CA C 128 54.750 58.589 -3.839 1
1 1021 . 1 1 1 A 90 90 LYS CB C 128 29.280 31.807 -2.527 1
1 1022 . 1 1 1 A 90 90 LYS N N 128 119.230 119.974 -0.744 1
1 1023 . 1 1 1 A 91 91 LEU H H 129 7.640 6.863 0.777 1
1 1024 . 1 1 1 A 91 91 LEU HA H 129 4.250 3.909 0.341 1
1 1034 . 1 1 1 A 91 91 LEU CA C 129 52.280 57.805 -5.525 1
1 1035 . 1 1 1 A 91 91 LEU CB C 129 39.000 41.544 -2.544 1
1 1039 . 1 1 1 A 91 91 LEU N N 129 112.650 120.139 -7.489 1
1 1040 . 1 1 1 A 92 92 ASN H H 130 7.560 7.839 -0.279 1
1 1041 . 1 1 1 A 92 92 ASN HA H 130 4.300 4.609 -0.309 1
1 1046 . 1 1 1 A 92 92 ASN C C 130 172.034 176.891 -4.857 1
1 1047 . 1 1 1 A 92 92 ASN CA C 130 55.070 56.528 -1.458 1
1 1048 . 1 1 1 A 92 92 ASN CB C 130 32.670 38.115 -5.445 1
1 1049 . 1 1 1 A 92 92 ASN N N 130 111.100 116.602 -5.502 1
1 1051 . 1 1 1 A 93 93 PRO HA H 131 4.220 4.449 -0.229 1
1 1058 . 1 1 1 A 93 93 PRO C C 131 173.540 177.913 -4.373 1
1 1059 . 1 1 1 A 93 93 PRO CA C 131 62.300 65.058 -2.758 1
1 1060 . 1 1 1 A 93 93 PRO CB C 131 28.140 31.578 -3.438 1
1 1062 . 1 1 1 A 94 94 TYR H H 132 7.630 8.178 -0.548 1
1 1063 . 1 1 1 A 94 94 TYR HA H 132 4.630 4.384 0.246 1
1 1068 . 1 1 1 A 94 94 TYR C C 132 172.700 175.514 -2.814 1
1 1069 . 1 1 1 A 94 94 TYR CA C 132 54.130 60.609 -6.479 1
1 1070 . 1 1 1 A 94 94 TYR CB C 132 36.500 37.599 -1.099 1
1 1071 . 1 1 1 A 94 94 TYR N N 132 114.100 115.094 -0.994 1
1 1072 . 1 1 1 A 95 95 ARG H H 133 7.250 7.374 -0.124 1
1 1073 . 1 1 1 A 95 95 ARG HA H 133 4.290 4.451 -0.161 1
1 1081 . 1 1 1 A 95 95 ARG C C 133 173.763 175.080 -1.317 1
1 1082 . 1 1 1 A 95 95 ARG CA C 133 54.740 55.477 -0.737 1
1 1083 . 1 1 1 A 95 95 ARG CB C 133 27.880 32.999 -5.119 1
1 1086 . 1 1 1 A 95 95 ARG N N 133 119.390 118.679 0.711 1
1 1088 . 1 1 1 A 96 96 LYS H H 134 8.658 9.358 -0.700 1
1 1089 . 1 1 1 A 96 96 LYS HA H 134 4.490 3.866 0.624 1
1 1098 . 1 1 1 A 96 96 LYS C C 134 173.560 176.164 -2.604 1
1 1099 . 1 1 1 A 96 96 LYS CA C 134 52.580 58.486 -5.906 1
1 1100 . 1 1 1 A 96 96 LYS CB C 134 30.590 31.022 -0.432 1
1 1104 . 1 1 1 A 96 96 LYS N N 134 125.000 125.522 -0.522 1
1 1105 . 1 1 1 A 97 97 MET H H 135 8.330 8.847 -0.517 1
1 1106 . 1 1 1 A 97 97 MET HA H 135 4.420 4.185 0.235 1
1 1114 . 1 1 1 A 97 97 MET C C 135 172.970 174.605 -1.635 1
1 1115 . 1 1 1 A 97 97 MET CA C 135 52.490 57.767 -5.277 1
1 1116 . 1 1 1 A 97 97 MET CB C 135 30.530 30.492 0.038 1
1 1118 . 1 1 1 A 97 97 MET N N 135 120.890 115.780 5.110 1
1 1119 . 1 1 1 A 98 98 ALA H H 136 8.290 7.362 0.928 1
1 1120 . 1 1 1 A 98 98 ALA HA H 136 4.180 4.442 -0.262 1
1 1124 . 1 1 1 A 98 98 ALA C C 136 173.767 175.239 -1.472 1
1 1125 . 1 1 1 A 98 98 ALA CA C 136 49.750 51.608 -1.858 1
1 1126 . 1 1 1 A 98 98 ALA CB C 136 16.350 21.531 -5.181 1
1 1127 . 1 1 1 A 98 98 ALA N N 136 126.050 117.768 8.282 1
1 1 . 2 1 1 A 3 3 VAL HA H 41 3.360 3.581 -0.221 1
1 9 . 2 1 1 A 3 3 VAL CA C 41 64.070 66.978 -2.908 1
1 10 . 2 1 1 A 3 3 VAL CB C 41 28.620 31.838 -3.218 1
1 13 . 2 1 1 A 4 4 LYS H H 42 8.223 8.271 -0.048 1
1 14 . 2 1 1 A 4 4 LYS HA H 42 3.610 4.039 -0.429 1
1 21 . 2 1 1 A 4 4 LYS C C 42 175.928 178.941 -3.013 1
1 22 . 2 1 1 A 4 4 LYS CA C 42 58.640 58.727 -0.087 1
1 23 . 2 1 1 A 4 4 LYS CB C 42 28.640 31.674 -3.034 1
1 25 . 2 1 1 A 4 4 LYS N N 42 118.080 119.821 -1.741 1
1 26 . 2 1 1 A 5 5 ARG H H 43 7.920 7.746 0.174 1
1 27 . 2 1 1 A 5 5 ARG HA H 43 4.060 4.099 -0.039 1
1 34 . 2 1 1 A 5 5 ARG C C 43 177.798 178.674 -0.876 1
1 35 . 2 1 1 A 5 5 ARG CA C 43 56.640 58.688 -2.048 1
1 36 . 2 1 1 A 5 5 ARG CB C 43 27.200 29.891 -2.691 1
1 38 . 2 1 1 A 5 5 ARG N N 43 117.720 119.845 -2.125 1
1 39 . 2 1 1 A 6 6 LEU H H 44 7.660 7.962 -0.302 1
1 40 . 2 1 1 A 6 6 LEU HA H 44 4.100 4.104 -0.004 1
1 50 . 2 1 1 A 6 6 LEU C C 44 176.114 178.574 -2.460 1
1 51 . 2 1 1 A 6 6 LEU CA C 44 55.100 57.584 -2.484 1
1 52 . 2 1 1 A 6 6 LEU CB C 44 39.570 41.870 -2.300 1
1 56 . 2 1 1 A 6 6 LEU N N 44 121.040 119.394 1.646 1
1 57 . 2 1 1 A 7 7 LEU H H 45 7.520 7.837 -0.317 1
1 58 . 2 1 1 A 7 7 LEU HA H 45 4.350 4.480 -0.130 1
1 68 . 2 1 1 A 7 7 LEU C C 45 172.937 178.497 -5.560 1
1 69 . 2 1 1 A 7 7 LEU CA C 45 51.480 55.058 -3.578 1
1 70 . 2 1 1 A 7 7 LEU CB C 45 40.300 43.004 -2.704 1
1 74 . 2 1 1 A 7 7 LEU N N 45 116.660 113.874 2.786 1
1 75 . 2 1 1 A 8 8 SER H H 46 7.840 8.718 -0.878 1
1 76 . 2 1 1 A 8 8 SER HA H 46 3.960 4.425 -0.465 1
1 79 . 2 1 1 A 8 8 SER CA C 46 56.360 60.984 -4.624 1
1 80 . 2 1 1 A 8 8 SER CB C 46 58.870 63.426 -4.556 1
1 81 . 2 1 1 A 8 8 SER N N 46 113.750 116.114 -2.364 1
1 82 . 2 1 1 A 9 9 ILE H H 47 8.290 7.657 0.633 1
1 83 . 2 1 1 A 9 9 ILE HA H 47 4.230 4.202 0.028 1
1 93 . 2 1 1 A 9 9 ILE C C 47 174.540 176.610 -2.070 1
1 94 . 2 1 1 A 9 9 ILE CA C 47 58.680 62.743 -4.063 1
1 95 . 2 1 1 A 9 9 ILE CB C 47 36.912 39.975 -3.063 1
1 99 . 2 1 1 A 9 9 ILE N N 47 119.850 119.017 0.833 1
1 100 . 2 1 1 A 10 10 THR H H 48 8.760 7.847 0.913 1
1 101 . 2 1 1 A 10 10 THR HA H 48 4.465 4.540 -0.075 1
1 106 . 2 1 1 A 10 10 THR C C 48 171.266 173.406 -2.140 1
1 107 . 2 1 1 A 10 10 THR CA C 48 58.390 61.035 -2.645 1
1 108 . 2 1 1 A 10 10 THR CB C 48 66.310 68.552 -2.242 1
1 110 . 2 1 1 A 10 10 THR N N 48 117.590 110.039 7.551 1
1 111 . 2 1 1 A 11 11 ASN H H 49 7.360 8.403 -1.043 1
1 112 . 2 1 1 A 11 11 ASN HA H 49 4.909 4.890 0.019 1
1 117 . 2 1 1 A 11 11 ASN C C 49 172.506 174.322 -1.816 1
1 118 . 2 1 1 A 11 11 ASN CA C 49 49.430 54.082 -4.652 1
1 119 . 2 1 1 A 11 11 ASN CB C 49 37.420 41.435 -4.015 1
1 120 . 2 1 1 A 11 11 ASN N N 49 113.560 120.270 -6.710 1
1 122 . 2 1 1 A 12 12 ASP H H 50 8.256 8.239 0.017 1
1 123 . 2 1 1 A 12 12 ASP HA H 50 4.650 4.500 0.150 1
1 126 . 2 1 1 A 12 12 ASP C C 50 176.400 177.337 -0.937 1
1 127 . 2 1 1 A 12 12 ASP CA C 50 51.210 54.569 -3.359 1
1 128 . 2 1 1 A 12 12 ASP CB C 50 38.080 42.936 -4.856 1
1 129 . 2 1 1 A 12 12 ASP N N 50 117.210 118.523 -1.313 1
1 130 . 2 1 1 A 13 13 LYS H H 51 7.895 8.731 -0.836 1
1 131 . 2 1 1 A 13 13 LYS HA H 51 3.840 4.097 -0.257 1
1 140 . 2 1 1 A 13 13 LYS C C 51 174.700 178.131 -3.431 1
1 141 . 2 1 1 A 13 13 LYS CA C 51 56.320 58.655 -2.335 1
1 142 . 2 1 1 A 13 13 LYS CB C 51 29.760 31.886 -2.126 1
1 146 . 2 1 1 A 13 13 LYS N N 51 120.500 123.510 -3.010 1
1 147 . 2 1 1 A 14 14 HIS H H 52 9.000 8.353 0.647 1
1 148 . 2 1 1 A 14 14 HIS HA H 52 5.120 4.370 0.750 1
1 152 . 2 1 1 A 14 14 HIS C C 52 173.200 176.907 -3.707 1
1 153 . 2 1 1 A 14 14 HIS CA C 52 52.370 59.461 -7.091 1
1 154 . 2 1 1 A 14 14 HIS CB C 52 27.520 29.345 -1.825 1
1 155 . 2 1 1 A 14 14 HIS N N 52 116.200 119.543 -3.343 1
1 156 . 2 1 1 A 15 15 ASP H H 53 7.640 8.411 -0.771 1
1 157 . 2 1 1 A 15 15 ASP HA H 53 4.120 4.310 -0.190 1
1 160 . 2 1 1 A 15 15 ASP C C 53 176.183 178.389 -2.206 1
1 161 . 2 1 1 A 15 15 ASP CA C 53 56.060 56.907 -0.847 1
1 162 . 2 1 1 A 15 15 ASP CB C 53 36.350 40.315 -3.965 1
1 163 . 2 1 1 A 15 15 ASP N N 53 122.780 118.375 4.405 1
1 164 . 2 1 1 A 16 16 GLU H H 54 8.890 8.501 0.389 1
1 165 . 2 1 1 A 16 16 GLU HA H 54 4.020 4.104 -0.084 1
1 170 . 2 1 1 A 16 16 GLU CA C 54 57.770 59.190 -1.420 1
1 171 . 2 1 1 A 16 16 GLU CB C 54 26.330 29.118 -2.788 1
1 173 . 2 1 1 A 16 16 GLU N N 54 122.770 118.855 3.915 1
1 174 . 2 1 1 A 17 17 TYR H H 55 8.130 8.347 -0.217 1
1 175 . 2 1 1 A 17 17 TYR HA H 55 4.390 4.241 0.149 1
1 180 . 2 1 1 A 17 17 TYR C C 55 175.213 177.703 -2.490 1
1 181 . 2 1 1 A 17 17 TYR CA C 55 58.150 61.420 -3.270 1
1 182 . 2 1 1 A 17 17 TYR CB C 55 36.000 38.420 -2.420 1
1 185 . 2 1 1 A 17 17 TYR N N 55 121.000 122.125 -1.125 1
1 186 . 2 1 1 A 18 18 LEU H H 56 8.740 8.956 -0.216 1
1 187 . 2 1 1 A 18 18 LEU HA H 56 3.710 4.077 -0.367 1
1 197 . 2 1 1 A 18 18 LEU C C 56 175.500 178.437 -2.937 1
1 198 . 2 1 1 A 18 18 LEU CA C 56 55.470 58.085 -2.615 1
1 199 . 2 1 1 A 18 18 LEU CB C 56 39.920 41.470 -1.550 1
1 203 . 2 1 1 A 18 18 LEU N N 56 118.100 120.078 -1.978 1
1 204 . 2 1 1 A 19 19 THR H H 57 8.420 8.481 -0.061 1
1 205 . 2 1 1 A 19 19 THR HA H 57 3.820 3.965 -0.145 1
1 210 . 2 1 1 A 19 19 THR C C 57 172.234 177.286 -5.052 1
1 211 . 2 1 1 A 19 19 THR CA C 57 64.220 65.657 -1.437 1
1 212 . 2 1 1 A 19 19 THR CB C 57 66.050 68.275 -2.225 1
1 214 . 2 1 1 A 19 19 THR N N 57 114.940 111.035 3.905 1
1 215 . 2 1 1 A 20 20 GLU H H 58 7.087 7.821 -0.734 1
1 216 . 2 1 1 A 20 20 GLU HA H 58 4.320 3.835 0.485 1
1 221 . 2 1 1 A 20 20 GLU C C 58 175.554 179.306 -3.752 1
1 222 . 2 1 1 A 20 20 GLU CA C 58 55.170 59.287 -4.117 1
1 223 . 2 1 1 A 20 20 GLU CB C 58 27.920 28.681 -0.761 1
1 225 . 2 1 1 A 20 20 GLU N N 58 117.800 121.953 -4.153 1
1 226 . 2 1 1 A 21 21 MET H H 59 8.320 7.786 0.534 1
1 227 . 2 1 1 A 21 21 MET HA H 59 4.330 2.948 1.382 1
1 235 . 2 1 1 A 21 21 MET C C 59 175.330 178.354 -3.024 1
1 236 . 2 1 1 A 21 21 MET CA C 59 54.270 58.070 -3.800 1
1 237 . 2 1 1 A 21 21 MET CB C 59 30.620 32.348 -1.728 1
1 240 . 2 1 1 A 21 21 MET N N 59 116.300 119.213 -2.913 1
1 241 . 2 1 1 A 22 22 VAL H H 60 8.800 7.590 1.210 1
1 242 . 2 1 1 A 22 22 VAL HA H 60 3.630 3.328 0.302 1
1 250 . 2 1 1 A 22 22 VAL C C 60 172.042 174.926 -2.884 1
1 251 . 2 1 1 A 22 22 VAL CA C 60 66.980 67.029 -0.049 1
1 252 . 2 1 1 A 22 22 VAL CB C 60 26.120 29.561 -3.441 1
1 255 . 2 1 1 A 22 22 VAL N N 60 117.600 119.341 -1.741 1
1 256 . 2 1 1 A 23 23 PRO HA H 61 4.270 4.203 0.067 1
1 263 . 2 1 1 A 23 23 PRO C C 61 177.110 178.953 -1.843 1
1 264 . 2 1 1 A 23 23 PRO CA C 61 63.460 65.276 -1.816 1
1 265 . 2 1 1 A 23 23 PRO CB C 61 28.400 31.127 -2.727 1
1 267 . 2 1 1 A 24 24 LEU H H 62 6.700 6.969 -0.269 1
1 268 . 2 1 1 A 24 24 LEU HA H 62 4.250 3.936 0.314 1
1 278 . 2 1 1 A 24 24 LEU C C 62 177.872 178.860 -0.988 1
1 279 . 2 1 1 A 24 24 LEU CA C 62 55.130 57.701 -2.571 1
1 280 . 2 1 1 A 24 24 LEU CB C 62 39.440 41.789 -2.349 1
1 284 . 2 1 1 A 24 24 LEU N N 62 115.750 117.479 -1.729 1
1 285 . 2 1 1 A 25 25 LEU H H 63 8.190 7.544 0.646 1
1 286 . 2 1 1 A 25 25 LEU HA H 63 3.920 3.976 -0.056 1
1 296 . 2 1 1 A 25 25 LEU C C 63 176.367 178.273 -1.906 1
1 297 . 2 1 1 A 25 25 LEU CA C 63 54.950 58.141 -3.191 1
1 298 . 2 1 1 A 25 25 LEU CB C 63 41.090 41.768 -0.678 1
1 302 . 2 1 1 A 25 25 LEU N N 63 121.800 119.635 2.165 1
1 303 . 2 1 1 A 26 26 VAL H H 64 8.590 8.364 0.226 1
1 304 . 2 1 1 A 26 26 VAL HA H 64 3.480 3.960 -0.480 1
1 312 . 2 1 1 A 26 26 VAL C C 64 174.801 177.462 -2.661 1
1 313 . 2 1 1 A 26 26 VAL CA C 64 64.860 65.000 -0.140 1
1 314 . 2 1 1 A 26 26 VAL CB C 64 28.900 31.269 -2.369 1
1 317 . 2 1 1 A 26 26 VAL N N 64 120.990 118.411 2.579 1
1 318 . 2 1 1 A 27 27 GLU H H 65 8.090 7.626 0.464 1
1 319 . 2 1 1 A 27 27 GLU HA H 65 3.970 3.765 0.205 1
1 324 . 2 1 1 A 27 27 GLU C C 65 176.169 178.767 -2.598 1
1 325 . 2 1 1 A 27 27 GLU CA C 65 56.990 58.641 -1.651 1
1 326 . 2 1 1 A 27 27 GLU CB C 65 26.540 29.125 -2.585 1
1 328 . 2 1 1 A 27 27 GLU N N 65 118.990 122.348 -3.358 1
1 329 . 2 1 1 A 28 28 PHE H H 66 8.075 7.878 0.197 1
1 330 . 2 1 1 A 28 28 PHE HA H 66 4.570 4.250 0.320 1
1 337 . 2 1 1 A 28 28 PHE C C 66 173.482 177.571 -4.089 1
1 338 . 2 1 1 A 28 28 PHE CA C 66 58.390 61.981 -3.591 1
1 339 . 2 1 1 A 28 28 PHE CB C 66 36.680 39.339 -2.659 1
1 340 . 2 1 1 A 28 28 PHE N N 66 119.000 122.055 -3.055 1
1 341 . 2 1 1 A 29 29 ALA H H 67 8.420 8.305 0.115 1
1 342 . 2 1 1 A 29 29 ALA HA H 67 3.500 3.958 -0.458 1
1 346 . 2 1 1 A 29 29 ALA C C 67 176.624 179.687 -3.063 1
1 347 . 2 1 1 A 29 29 ALA CA C 67 52.800 54.765 -1.965 1
1 348 . 2 1 1 A 29 29 ALA CB C 67 15.290 18.473 -3.183 1
1 349 . 2 1 1 A 29 29 ALA N N 67 121.810 121.240 0.570 1
1 350 . 2 1 1 A 30 30 LYS H H 68 8.227 7.676 0.551 1
1 351 . 2 1 1 A 30 30 LYS HA H 68 4.090 4.030 0.060 1
1 360 . 2 1 1 A 30 30 LYS C C 68 177.400 179.429 -2.029 1
1 361 . 2 1 1 A 30 30 LYS CA C 68 56.700 58.836 -2.136 1
1 362 . 2 1 1 A 30 30 LYS CB C 68 31.230 31.521 -0.291 1
1 366 . 2 1 1 A 30 30 LYS N N 68 117.500 117.132 0.368 1
1 367 . 2 1 1 A 31 31 ASP H H 69 7.820 8.288 -0.468 1
1 368 . 2 1 1 A 31 31 ASP HA H 69 4.210 4.708 -0.498 1
1 371 . 2 1 1 A 31 31 ASP C C 69 176.438 178.923 -2.485 1
1 372 . 2 1 1 A 31 31 ASP CA C 69 54.310 56.822 -2.512 1
1 373 . 2 1 1 A 31 31 ASP CB C 69 38.320 39.811 -1.491 1
1 374 . 2 1 1 A 31 31 ASP N N 69 120.370 117.440 2.930 1
1 375 . 2 1 1 A 32 32 GLU H H 70 8.840 8.209 0.631 1
1 376 . 2 1 1 A 32 32 GLU HA H 70 3.730 4.049 -0.319 1
1 381 . 2 1 1 A 32 32 GLU C C 70 176.119 177.562 -1.443 1
1 382 . 2 1 1 A 32 32 GLU CA C 70 55.270 59.003 -3.733 1
1 383 . 2 1 1 A 32 32 GLU CB C 70 26.810 29.580 -2.770 1
1 385 . 2 1 1 A 32 32 GLU N N 70 120.750 121.179 -0.429 1
1 386 . 2 1 1 A 33 33 CYS H H 71 7.960 7.650 0.310 1
1 387 . 2 1 1 A 33 33 CYS HA H 71 4.070 4.643 -0.573 1
1 390 . 2 1 1 A 33 33 CYS C C 71 170.993 174.861 -3.868 1
1 391 . 2 1 1 A 33 33 CYS CA C 71 58.160 59.025 -0.865 1
1 392 . 2 1 1 A 33 33 CYS CB C 71 26.000 27.866 -1.866 1
1 393 . 2 1 1 A 33 33 CYS N N 71 111.530 116.194 -4.664 1
1 394 . 2 1 1 A 34 34 HIS H H 72 7.560 8.246 -0.686 1
1 395 . 2 1 1 A 34 34 HIS HA H 72 4.040 4.556 -0.516 1
1 398 . 2 1 1 A 34 34 HIS C C 72 170.400 174.843 -4.443 1
1 399 . 2 1 1 A 34 34 HIS CA C 72 53.230 57.017 -3.787 1
1 400 . 2 1 1 A 34 34 HIS CB C 72 23.830 29.453 -5.623 1
1 401 . 2 1 1 A 34 34 HIS N N 72 118.100 117.167 0.933 1
1 402 . 2 1 1 A 35 35 ASN H H 73 7.590 8.105 -0.515 1
1 403 . 2 1 1 A 35 35 ASN HA H 73 4.805 4.885 -0.080 1
1 408 . 2 1 1 A 35 35 ASN C C 73 170.429 175.551 -5.122 1
1 409 . 2 1 1 A 35 35 ASN CA C 73 46.130 51.585 -5.455 1
1 410 . 2 1 1 A 35 35 ASN CB C 73 39.580 38.620 0.960 1
1 411 . 2 1 1 A 35 35 ASN N N 73 112.400 118.231 -5.831 1
1 413 . 2 1 1 A 36 36 PRO HA H 74 4.120 4.015 0.105 1
1 420 . 2 1 1 A 36 36 PRO C C 74 173.450 176.928 -3.478 1
1 421 . 2 1 1 A 36 36 PRO CA C 74 59.950 63.118 -3.168 1
1 422 . 2 1 1 A 36 36 PRO CB C 74 29.200 32.529 -3.329 1
1 425 . 2 1 1 A 37 37 PHE H H 75 8.057 7.947 0.110 1
1 426 . 2 1 1 A 37 37 PHE HA H 75 4.200 4.208 -0.008 1
1 432 . 2 1 1 A 37 37 PHE C C 75 171.107 174.695 -3.588 1
1 433 . 2 1 1 A 37 37 PHE CA C 75 55.120 58.656 -3.536 1
1 434 . 2 1 1 A 37 37 PHE CB C 75 33.760 36.391 -2.631 1
1 436 . 2 1 1 A 38 38 ILE H H 76 7.610 7.637 -0.027 1
1 437 . 2 1 1 A 38 38 ILE HA H 76 4.870 4.845 0.025 1
1 447 . 2 1 1 A 38 38 ILE C C 76 174.180 173.891 0.289 1
1 448 . 2 1 1 A 38 38 ILE CA C 76 56.300 59.527 -3.227 1
1 449 . 2 1 1 A 38 38 ILE CB C 76 38.040 40.401 -2.361 1
1 453 . 2 1 1 A 38 38 ILE N N 76 113.800 119.378 -5.578 1
1 454 . 2 1 1 A 39 39 ASP H H 77 8.830 9.041 -0.211 1
1 455 . 2 1 1 A 39 39 ASP HA H 77 4.710 5.045 -0.335 1
1 458 . 2 1 1 A 39 39 ASP C C 77 175.969 177.509 -1.540 1
1 459 . 2 1 1 A 39 39 ASP CA C 77 49.800 52.030 -2.230 1
1 460 . 2 1 1 A 39 39 ASP CB C 77 39.180 43.637 -4.457 1
1 461 . 2 1 1 A 39 39 ASP N N 77 125.380 125.989 -0.609 1
1 462 . 2 1 1 A 40 40 LYS H H 78 8.370 9.023 -0.653 1
1 463 . 2 1 1 A 40 40 LYS HA H 78 4.100 4.086 0.014 1
1 468 . 2 1 1 A 40 40 LYS C C 78 174.100 176.583 -2.483 1
1 469 . 2 1 1 A 40 40 LYS CA C 78 55.800 58.741 -2.941 1
1 470 . 2 1 1 A 40 40 LYS CB C 78 29.120 31.792 -2.672 1
1 471 . 2 1 1 A 40 40 LYS N N 78 116.800 122.473 -5.673 1
1 472 . 2 1 1 A 41 41 ASP H H 79 8.030 7.968 0.062 1
1 473 . 2 1 1 A 41 41 ASP HA H 79 4.810 4.666 0.144 1
1 476 . 2 1 1 A 41 41 ASP C C 79 173.360 176.902 -3.542 1
1 477 . 2 1 1 A 41 41 ASP CA C 79 51.650 53.869 -2.219 1
1 478 . 2 1 1 A 41 41 ASP CB C 79 39.570 41.882 -2.312 1
1 479 . 2 1 1 A 41 41 ASP N N 79 118.660 118.071 0.589 1
1 480 . 2 1 1 A 42 42 GLY H H 80 8.090 8.357 -0.267 1
1 481 . 2 1 1 A 42 42 GLY HA2 H 80 4.230 3.914 0.316 1
1 482 . 2 1 1 A 42 42 GLY HA3 H 80 3.490 3.916 -0.426 1
1 483 . 2 1 1 A 42 42 GLY C C 80 171.399 174.233 -2.834 1
1 484 . 2 1 1 A 42 42 GLY CA C 80 42.720 45.832 -3.112 1
1 485 . 2 1 1 A 42 42 GLY N N 80 107.750 109.156 -1.406 1
1 486 . 2 1 1 A 43 43 ASN H H 81 8.470 7.922 0.548 1
1 487 . 2 1 1 A 43 43 ASN HA H 81 4.815 5.088 -0.273 1
1 492 . 2 1 1 A 43 43 ASN C C 81 172.066 174.397 -2.331 1
1 493 . 2 1 1 A 43 43 ASN CA C 81 49.580 51.842 -2.262 1
1 494 . 2 1 1 A 43 43 ASN CB C 81 36.800 40.601 -3.801 1
1 495 . 2 1 1 A 43 43 ASN N N 81 117.600 119.072 -1.472 1
1 497 . 2 1 1 A 44 44 GLU H H 82 8.730 8.558 0.172 1
1 498 . 2 1 1 A 44 44 GLU HA H 82 4.370 4.670 -0.300 1
1 503 . 2 1 1 A 44 44 GLU C C 82 173.651 175.352 -1.701 1
1 504 . 2 1 1 A 44 44 GLU CA C 82 55.170 56.683 -1.513 1
1 505 . 2 1 1 A 44 44 GLU CB C 82 27.740 30.724 -2.984 1
1 507 . 2 1 1 A 44 44 GLU N N 82 123.400 123.851 -0.451 1
1 508 . 2 1 1 A 45 45 SER H H 83 8.960 9.050 -0.090 1
1 509 . 2 1 1 A 45 45 SER HA H 83 4.510 5.287 -0.777 1
1 512 . 2 1 1 A 45 45 SER C C 83 170.100 173.234 -3.134 1
1 513 . 2 1 1 A 45 45 SER CA C 83 53.800 56.555 -2.755 1
1 514 . 2 1 1 A 45 45 SER CB C 83 60.320 64.747 -4.427 1
1 515 . 2 1 1 A 45 45 SER N N 83 123.400 119.654 3.746 1
1 516 . 2 1 1 A 46 46 ILE H H 84 8.990 9.006 -0.016 1
1 517 . 2 1 1 A 46 46 ILE HA H 84 3.880 4.519 -0.639 1
1 527 . 2 1 1 A 46 46 ILE C C 84 177.600 174.137 3.463 1
1 528 . 2 1 1 A 46 46 ILE CA C 84 55.490 58.072 -2.582 1
1 529 . 2 1 1 A 46 46 ILE CB C 84 34.850 39.601 -4.751 1
1 533 . 2 1 1 A 46 46 ILE N N 84 127.800 126.928 0.872 1
1 534 . 2 1 1 A 47 47 PRO HA H 85 3.840 4.559 -0.719 1
1 541 . 2 1 1 A 47 47 PRO C C 85 172.918 177.408 -4.490 1
1 542 . 2 1 1 A 47 47 PRO CA C 85 61.880 62.049 -0.169 1
1 543 . 2 1 1 A 47 47 PRO CB C 85 34.920 32.826 2.094 1
1 546 . 2 1 1 A 48 48 SER H H 86 7.780 8.737 -0.957 1
1 547 . 2 1 1 A 48 48 SER C C 86 174.554 177.182 -2.628 1
1 548 . 2 1 1 A 49 49 GLY H H 87 8.230 8.302 -0.072 1
1 549 . 2 1 1 A 49 49 GLY HA2 H 87 4.300 3.848 0.452 1
1 550 . 2 1 1 A 49 49 GLY HA3 H 87 3.950 3.873 0.077 1
1 551 . 2 1 1 A 49 49 GLY C C 87 173.507 176.010 -2.503 1
1 552 . 2 1 1 A 49 49 GLY CA C 87 44.600 47.365 -2.765 1
1 553 . 2 1 1 A 49 49 GLY N N 87 105.900 110.723 -4.823 1
1 554 . 2 1 1 A 50 50 VAL H H 88 6.855 8.053 -1.198 1
1 555 . 2 1 1 A 50 50 VAL HA H 88 3.510 3.894 -0.384 1
1 563 . 2 1 1 A 50 50 VAL C C 88 174.450 178.348 -3.898 1
1 564 . 2 1 1 A 50 50 VAL CA C 88 62.420 66.227 -3.807 1
1 565 . 2 1 1 A 50 50 VAL CB C 88 28.000 31.585 -3.585 1
1 568 . 2 1 1 A 50 50 VAL N N 88 119.950 122.402 -2.452 1
1 569 . 2 1 1 A 51 51 LEU H H 89 7.360 8.007 -0.647 1
1 570 . 2 1 1 A 51 51 LEU HA H 89 3.570 4.085 -0.515 1
1 580 . 2 1 1 A 51 51 LEU C C 89 175.078 178.293 -3.215 1
1 581 . 2 1 1 A 51 51 LEU CA C 89 55.490 58.105 -2.615 1
1 582 . 2 1 1 A 51 51 LEU CB C 89 37.320 41.631 -4.311 1
1 586 . 2 1 1 A 51 51 LEU N N 89 122.100 121.267 0.833 1
1 587 . 2 1 1 A 52 52 ILE H H 90 7.770 7.663 0.107 1
1 588 . 2 1 1 A 52 52 ILE HA H 90 3.600 3.914 -0.314 1
1 598 . 2 1 1 A 52 52 ILE C C 90 175.000 178.111 -3.111 1
1 599 . 2 1 1 A 52 52 ILE CA C 90 62.720 64.086 -1.366 1
1 600 . 2 1 1 A 52 52 ILE CB C 90 34.510 37.246 -2.736 1
1 604 . 2 1 1 A 52 52 ILE N N 90 117.460 115.683 1.777 1
1 605 . 2 1 1 A 53 53 PHE H H 91 7.400 8.028 -0.628 1
1 606 . 2 1 1 A 53 53 PHE HA H 91 3.900 4.234 -0.334 1
1 613 . 2 1 1 A 53 53 PHE C C 91 172.073 177.039 -4.966 1
1 614 . 2 1 1 A 53 53 PHE CA C 91 59.340 61.449 -2.109 1
1 615 . 2 1 1 A 53 53 PHE CB C 91 35.540 38.977 -3.437 1
1 616 . 2 1 1 A 53 53 PHE N N 91 119.280 124.554 -5.274 1
1 617 . 2 1 1 A 54 54 VAL H H 92 8.450 7.943 0.507 1
1 618 . 2 1 1 A 54 54 VAL HA H 92 2.850 3.625 -0.775 1
1 626 . 2 1 1 A 54 54 VAL C C 92 174.300 177.926 -3.626 1
1 627 . 2 1 1 A 54 54 VAL CA C 92 63.860 65.324 -1.464 1
1 628 . 2 1 1 A 54 54 VAL CB C 92 28.570 31.081 -2.511 1
1 631 . 2 1 1 A 54 54 VAL N N 92 119.170 118.143 1.027 1
1 632 . 2 1 1 A 55 55 ALA H H 93 8.615 8.049 0.566 1
1 633 . 2 1 1 A 55 55 ALA HA H 93 3.750 3.988 -0.238 1
1 637 . 2 1 1 A 55 55 ALA C C 93 176.294 180.143 -3.849 1
1 638 . 2 1 1 A 55 55 ALA CA C 93 52.800 55.648 -2.848 1
1 639 . 2 1 1 A 55 55 ALA CB C 93 16.050 18.327 -2.277 1
1 640 . 2 1 1 A 55 55 ALA N N 93 120.170 123.591 -3.421 1
1 641 . 2 1 1 A 56 56 LYS H H 94 8.548 7.976 0.572 1
1 642 . 2 1 1 A 56 56 LYS HA H 94 3.980 4.047 -0.067 1
1 649 . 2 1 1 A 56 56 LYS C C 94 177.600 179.577 -1.977 1
1 650 . 2 1 1 A 56 56 LYS CA C 94 55.800 59.481 -3.681 1
1 651 . 2 1 1 A 56 56 LYS CB C 94 29.500 32.474 -2.974 1
1 654 . 2 1 1 A 56 56 LYS N N 94 115.200 117.188 -1.988 1
1 655 . 2 1 1 A 57 57 ALA H H 95 8.840 8.216 0.624 1
1 656 . 2 1 1 A 57 57 ALA HA H 95 3.940 4.273 -0.333 1
1 660 . 2 1 1 A 57 57 ALA C C 95 175.754 180.022 -4.268 1
1 661 . 2 1 1 A 57 57 ALA CA C 95 52.670 55.120 -2.450 1
1 662 . 2 1 1 A 57 57 ALA CB C 95 16.070 17.954 -1.884 1
1 663 . 2 1 1 A 57 57 ALA N N 95 124.210 122.742 1.468 1
1 664 . 2 1 1 A 58 58 ALA H H 96 8.816 7.501 1.315 1
1 665 . 2 1 1 A 58 58 ALA HA H 96 4.043 4.122 -0.079 1
1 669 . 2 1 1 A 58 58 ALA C C 96 177.600 179.358 -1.758 1
1 670 . 2 1 1 A 58 58 ALA CA C 96 52.770 54.948 -2.178 1
1 671 . 2 1 1 A 58 58 ALA CB C 96 13.560 18.365 -4.805 1
1 672 . 2 1 1 A 58 58 ALA N N 96 120.500 120.352 0.148 1
1 673 . 2 1 1 A 59 59 GLN H H 97 8.490 7.732 0.758 1
1 674 . 2 1 1 A 59 59 GLN HA H 97 3.960 4.056 -0.096 1
1 681 . 2 1 1 A 59 59 GLN C C 97 175.100 178.766 -3.666 1
1 682 . 2 1 1 A 59 59 GLN CA C 97 56.370 59.240 -2.870 1
1 683 . 2 1 1 A 59 59 GLN CB C 97 26.500 28.705 -2.205 1
1 684 . 2 1 1 A 59 59 GLN N N 97 118.750 117.759 0.991 1
1 686 . 2 1 1 A 60 60 PHE H H 98 8.020 8.487 -0.467 1
1 687 . 2 1 1 A 60 60 PHE HA H 98 4.120 4.267 -0.147 1
1 694 . 2 1 1 A 60 60 PHE C C 98 174.780 177.211 -2.431 1
1 695 . 2 1 1 A 60 60 PHE CA C 98 58.650 61.421 -2.771 1
1 696 . 2 1 1 A 60 60 PHE CB C 98 35.240 39.011 -3.771 1
1 697 . 2 1 1 A 60 60 PHE N N 98 122.380 121.981 0.399 1
1 698 . 2 1 1 A 61 61 TYR H H 99 7.900 8.409 -0.509 1
1 699 . 2 1 1 A 61 61 TYR HA H 99 3.900 4.057 -0.157 1
1 704 . 2 1 1 A 61 61 TYR C C 99 175.494 178.128 -2.634 1
1 705 . 2 1 1 A 61 61 TYR CA C 99 60.600 61.518 -0.918 1
1 706 . 2 1 1 A 61 61 TYR CB C 99 36.120 38.370 -2.250 1
1 707 . 2 1 1 A 61 61 TYR N N 99 118.100 119.901 -1.801 1
1 708 . 2 1 1 A 62 62 MET H H 100 8.170 8.102 0.068 1
1 709 . 2 1 1 A 62 62 MET HA H 100 3.810 4.210 -0.400 1
1 717 . 2 1 1 A 62 62 MET C C 100 175.130 178.301 -3.171 1
1 718 . 2 1 1 A 62 62 MET CA C 100 56.270 58.068 -1.798 1
1 719 . 2 1 1 A 62 62 MET CB C 100 31.260 32.287 -1.027 1
1 722 . 2 1 1 A 62 62 MET N N 100 118.350 118.574 -0.224 1
1 723 . 2 1 1 A 63 63 THR H H 101 7.720 7.912 -0.192 1
1 724 . 2 1 1 A 63 63 THR HA H 101 4.120 3.978 0.142 1
1 729 . 2 1 1 A 63 63 THR C C 101 172.265 175.310 -3.045 1
1 730 . 2 1 1 A 63 63 THR CA C 101 60.060 64.409 -4.349 1
1 731 . 2 1 1 A 63 63 THR CB C 101 66.880 68.626 -1.746 1
1 733 . 2 1 1 A 63 63 THR N N 101 110.720 114.065 -3.345 1
1 734 . 2 1 1 A 64 64 ASN H H 102 7.620 8.253 -0.633 1
1 735 . 2 1 1 A 64 64 ASN HA H 102 4.541 4.700 -0.159 1
1 740 . 2 1 1 A 64 64 ASN C C 102 172.591 176.046 -3.455 1
1 741 . 2 1 1 A 64 64 ASN CA C 102 51.480 52.370 -0.890 1
1 742 . 2 1 1 A 64 64 ASN CB C 102 36.830 38.168 -1.338 1
1 743 . 2 1 1 A 64 64 ASN N N 102 114.000 116.604 -2.604 1
1 745 . 2 1 1 A 65 65 ALA H H 103 8.060 8.173 -0.113 1
1 746 . 2 1 1 A 65 65 ALA HA H 103 4.183 4.499 -0.316 1
1 750 . 2 1 1 A 65 65 ALA C C 103 176.032 178.648 -2.616 1
1 751 . 2 1 1 A 65 65 ALA CA C 103 51.130 51.794 -0.664 1
1 752 . 2 1 1 A 65 65 ALA CB C 103 16.230 19.451 -3.221 1
1 753 . 2 1 1 A 65 65 ALA N N 103 123.910 121.255 2.655 1
1 754 . 2 1 1 A 66 66 GLY H H 104 8.220 8.237 -0.017 1
1 755 . 2 1 1 A 66 66 GLY HA2 H 104 3.883 3.920 -0.037 1
1 756 . 2 1 1 A 66 66 GLY C C 104 172.222 175.235 -3.013 1
1 757 . 2 1 1 A 66 66 GLY CA C 104 43.170 45.721 -2.551 1
1 758 . 2 1 1 A 66 66 GLY N N 104 106.420 107.827 -1.407 1
1 759 . 2 1 1 A 67 67 LEU H H 105 7.890 7.514 0.376 1
1 760 . 2 1 1 A 67 67 LEU HA H 105 4.290 4.560 -0.270 1
1 770 . 2 1 1 A 67 67 LEU C C 105 175.406 177.420 -2.014 1
1 771 . 2 1 1 A 67 67 LEU CA C 105 53.110 55.469 -2.359 1
1 772 . 2 1 1 A 67 67 LEU CB C 105 39.740 43.105 -3.365 1
1 776 . 2 1 1 A 67 67 LEU N N 105 120.570 117.154 3.416 1
1 777 . 2 1 1 A 68 68 THR H H 106 7.940 8.590 -0.650 1
1 778 . 2 1 1 A 68 68 THR HA H 106 4.330 4.587 -0.257 1
1 783 . 2 1 1 A 68 68 THR C C 106 172.806 174.102 -1.296 1
1 784 . 2 1 1 A 68 68 THR CA C 106 59.700 61.691 -1.991 1
1 785 . 2 1 1 A 68 68 THR CB C 106 67.140 67.821 -0.681 1
1 787 . 2 1 1 A 68 68 THR N N 106 111.750 112.379 -0.629 1
1 788 . 2 1 1 A 69 69 GLY H H 107 8.340 8.055 0.285 1
1 789 . 2 1 1 A 69 69 GLY HA2 H 107 3.940 4.091 -0.151 1
1 790 . 2 1 1 A 69 69 GLY C C 107 171.503 173.020 -1.517 1
1 791 . 2 1 1 A 69 69 GLY CA C 107 42.990 44.303 -1.313 1
1 792 . 2 1 1 A 69 69 GLY N N 107 110.910 110.031 0.879 1
1 793 . 2 1 1 A 70 70 ARG H H 108 7.930 8.910 -0.980 1
1 794 . 2 1 1 A 70 70 ARG HA H 108 4.355 4.940 -0.585 1
1 801 . 2 1 1 A 70 70 ARG C C 108 173.543 174.888 -1.345 1
1 802 . 2 1 1 A 70 70 ARG CA C 108 53.170 54.665 -1.495 1
1 803 . 2 1 1 A 70 70 ARG CB C 108 28.470 32.569 -4.099 1
1 806 . 2 1 1 A 70 70 ARG N N 108 119.900 117.753 2.147 1
1 807 . 2 1 1 A 71 71 SER H H 109 8.400 8.574 -0.174 1
1 808 . 2 1 1 A 71 71 SER HA H 109 4.409 4.511 -0.102 1
1 811 . 2 1 1 A 71 71 SER C C 109 172.430 174.909 -2.479 1
1 812 . 2 1 1 A 71 71 SER CA C 109 55.630 58.034 -2.404 1
1 813 . 2 1 1 A 71 71 SER CB C 109 61.060 62.429 -1.369 1
1 814 . 2 1 1 A 71 71 SER N N 109 116.970 114.809 2.161 1
1 815 . 2 1 1 A 72 72 MET H H 110 8.590 8.665 -0.075 1
1 816 . 2 1 1 A 72 72 MET HA H 110 4.394 4.435 -0.041 1
1 822 . 2 1 1 A 72 72 MET C C 110 173.487 175.552 -2.065 1
1 823 . 2 1 1 A 72 72 MET CA C 110 53.320 58.317 -4.997 1
1 824 . 2 1 1 A 72 72 MET CB C 110 29.300 31.183 -1.883 1
1 825 . 2 1 1 A 72 72 MET N N 110 122.250 115.238 7.012 1
1 826 . 2 1 1 A 73 73 ASP H H 111 8.260 8.617 -0.357 1
1 827 . 2 1 1 A 73 73 ASP HA H 111 4.514 4.110 0.404 1
1 830 . 2 1 1 A 73 73 ASP C C 111 173.886 174.672 -0.786 1
1 831 . 2 1 1 A 73 73 ASP CA C 111 52.150 54.645 -2.495 1
1 832 . 2 1 1 A 73 73 ASP CB C 111 38.310 39.266 -0.956 1
1 833 . 2 1 1 A 73 73 ASP N N 111 119.420 118.249 1.171 1
1 834 . 2 1 1 A 74 74 THR H H 112 7.900 8.258 -0.358 1
1 835 . 2 1 1 A 74 74 THR HA H 112 4.142 3.812 0.330 1
1 840 . 2 1 1 A 74 74 THR C C 112 172.029 174.233 -2.204 1
1 841 . 2 1 1 A 74 74 THR CA C 112 59.640 65.210 -5.570 1
1 842 . 2 1 1 A 74 74 THR CB C 112 66.820 66.670 0.150 1
1 844 . 2 1 1 A 74 74 THR N N 112 112.950 109.554 3.396 1
1 845 . 2 1 1 A 75 75 VAL H H 113 7.840 7.971 -0.131 1
1 846 . 2 1 1 A 75 75 VAL HA H 113 3.950 4.117 -0.167 1
1 854 . 2 1 1 A 75 75 VAL C C 113 173.067 177.099 -4.032 1
1 855 . 2 1 1 A 75 75 VAL CA C 113 60.070 63.653 -3.583 1
1 856 . 2 1 1 A 75 75 VAL CB C 113 29.740 31.413 -1.673 1
1 859 . 2 1 1 A 75 75 VAL N N 113 121.540 119.684 1.856 1
1 860 . 2 1 1 A 76 76 SER H H 114 8.020 8.204 -0.184 1
1 861 . 2 1 1 A 76 76 SER HA H 114 3.974 4.631 -0.657 1
1 864 . 2 1 1 A 76 76 SER C C 114 171.259 174.271 -3.012 1
1 865 . 2 1 1 A 76 76 SER CA C 114 55.100 59.070 -3.970 1
1 866 . 2 1 1 A 76 76 SER CB C 114 61.160 63.333 -2.173 1
1 867 . 2 1 1 A 76 76 SER N N 114 117.830 117.595 0.235 1
1 868 . 2 1 1 A 77 77 TYR H H 115 7.770 8.165 -0.395 1
1 869 . 2 1 1 A 77 77 TYR HA H 115 4.240 4.041 0.199 1
1 874 . 2 1 1 A 77 77 TYR C C 115 172.865 175.241 -2.376 1
1 875 . 2 1 1 A 77 77 TYR CA C 115 55.100 60.531 -5.431 1
1 876 . 2 1 1 A 77 77 TYR CB C 115 36.110 36.284 -0.174 1
1 877 . 2 1 1 A 77 77 TYR N N 115 121.280 118.030 3.250 1
1 878 . 2 1 1 A 78 78 ASN HA H 116 4.790 4.860 -0.070 1
1 883 . 2 1 1 A 78 78 ASN C C 116 172.080 175.794 -3.714 1
1 884 . 2 1 1 A 78 78 ASN CA C 116 48.910 52.263 -3.353 1
1 885 . 2 1 1 A 78 78 ASN CB C 116 35.500 39.207 -3.707 1
1 886 . 2 1 1 A 78 78 ASN N N 116 112.900 118.458 -5.558 1
1 887 . 2 1 1 A 79 79 PHE H H 117 7.410 7.560 -0.150 1
1 888 . 2 1 1 A 79 79 PHE HA H 117 4.440 3.905 0.535 1
1 895 . 2 1 1 A 79 79 PHE C C 117 174.370 176.537 -2.167 1
1 896 . 2 1 1 A 79 79 PHE CA C 117 56.890 60.770 -3.880 1
1 897 . 2 1 1 A 79 79 PHE CB C 117 34.540 37.954 -3.414 1
1 898 . 2 1 1 A 79 79 PHE N N 117 121.190 120.448 0.742 1
1 899 . 2 1 1 A 80 80 ALA H H 118 8.560 7.467 1.093 1
1 900 . 2 1 1 A 80 80 ALA HA H 118 4.140 2.980 1.160 1
1 904 . 2 1 1 A 80 80 ALA C C 118 176.482 177.467 -0.985 1
1 905 . 2 1 1 A 80 80 ALA CA C 118 52.430 52.741 -0.311 1
1 906 . 2 1 1 A 80 80 ALA CB C 118 16.160 18.550 -2.390 1
1 907 . 2 1 1 A 80 80 ALA N N 118 115.100 121.227 -6.127 1
1 908 . 2 1 1 A 81 81 THR H H 119 7.330 7.860 -0.530 1
1 909 . 2 1 1 A 81 81 THR HA H 119 4.450 4.371 0.079 1
1 914 . 2 1 1 A 81 81 THR C C 119 172.909 174.270 -1.361 1
1 915 . 2 1 1 A 81 81 THR CA C 119 59.270 63.328 -4.058 1
1 916 . 2 1 1 A 81 81 THR CB C 119 66.770 70.749 -3.979 1
1 918 . 2 1 1 A 81 81 THR N N 119 104.710 111.023 -6.313 1
1 919 . 2 1 1 A 82 82 GLU H H 120 7.890 8.791 -0.901 1
1 920 . 2 1 1 A 82 82 GLU HA H 120 4.260 4.495 -0.235 1
1 924 . 2 1 1 A 82 82 GLU C C 120 177.060 175.061 1.999 1
1 925 . 2 1 1 A 82 82 GLU CA C 120 54.740 55.011 -0.271 1
1 926 . 2 1 1 A 82 82 GLU N N 120 120.760 118.647 2.113 1
1 927 . 2 1 1 A 83 83 ILE H H 121 7.630 8.109 -0.479 1
1 928 . 2 1 1 A 83 83 ILE HA H 121 3.330 3.498 -0.168 1
1 938 . 2 1 1 A 83 83 ILE CA C 121 57.580 61.746 -4.166 1
1 939 . 2 1 1 A 83 83 ILE CB C 121 35.770 36.700 -0.930 1
1 943 . 2 1 1 A 83 83 ILE N N 121 118.900 117.692 1.208 1
1 944 . 2 1 1 A 84 84 PRO HA H 122 4.200 4.384 -0.184 1
1 951 . 2 1 1 A 84 84 PRO CA C 122 60.510 62.982 -2.472 1
1 952 . 2 1 1 A 84 84 PRO CB C 122 27.260 31.942 -4.682 1
1 955 . 2 1 1 A 86 86 THR HA H 124 3.869 4.065 -0.196 1
1 960 . 2 1 1 A 86 86 THR C C 124 172.991 176.610 -3.619 1
1 961 . 2 1 1 A 86 86 THR CA C 124 61.980 65.617 -3.637 1
1 962 . 2 1 1 A 86 86 THR CB C 124 65.710 68.839 -3.129 1
1 964 . 2 1 1 A 87 87 ILE H H 125 7.340 7.569 -0.229 1
1 965 . 2 1 1 A 87 87 ILE HA H 125 3.920 3.720 0.200 1
1 975 . 2 1 1 A 87 87 ILE C C 125 175.375 178.039 -2.664 1
1 976 . 2 1 1 A 87 87 ILE CA C 125 61.900 64.218 -2.318 1
1 977 . 2 1 1 A 87 87 ILE CB C 125 35.690 36.985 -1.295 1
1 981 . 2 1 1 A 87 87 ILE N N 125 120.800 121.210 -0.410 1
1 982 . 2 1 1 A 88 88 LEU HA H 126 4.070 3.598 0.472 1
1 992 . 2 1 1 A 88 88 LEU C C 126 177.060 178.751 -1.691 1
1 993 . 2 1 1 A 88 88 LEU CA C 126 55.950 56.932 -0.982 1
1 994 . 2 1 1 A 88 88 LEU CB C 126 39.710 41.486 -1.776 1
1 998 . 2 1 1 A 89 89 LYS H H 127 8.095 7.958 0.137 1
1 999 . 2 1 1 A 89 89 LYS HA H 127 4.030 3.875 0.155 1
1 1008 . 2 1 1 A 89 89 LYS C C 127 176.400 179.094 -2.694 1
1 1009 . 2 1 1 A 89 89 LYS CA C 127 56.010 59.107 -3.097 1
1 1010 . 2 1 1 A 89 89 LYS CB C 127 29.650 31.550 -1.900 1
1 1014 . 2 1 1 A 89 89 LYS N N 127 116.100 121.095 -4.995 1
1 1015 . 2 1 1 A 90 90 LYS H H 128 7.848 7.790 0.058 1
1 1016 . 2 1 1 A 90 90 LYS HA H 128 4.160 4.101 0.059 1
1 1019 . 2 1 1 A 90 90 LYS C C 128 174.859 179.343 -4.484 1
1 1020 . 2 1 1 A 90 90 LYS CA C 128 54.750 57.700 -2.950 1
1 1021 . 2 1 1 A 90 90 LYS CB C 128 29.280 32.277 -2.997 1
1 1022 . 2 1 1 A 90 90 LYS N N 128 119.230 118.277 0.953 1
1 1023 . 2 1 1 A 91 91 LEU H H 129 7.640 6.956 0.684 1
1 1024 . 2 1 1 A 91 91 LEU HA H 129 4.250 4.031 0.219 1
1 1034 . 2 1 1 A 91 91 LEU CA C 129 52.280 57.732 -5.452 1
1 1035 . 2 1 1 A 91 91 LEU CB C 129 39.000 41.334 -2.334 1
1 1039 . 2 1 1 A 91 91 LEU N N 129 112.650 121.507 -8.857 1
1 1040 . 2 1 1 A 92 92 ASN H H 130 7.560 7.659 -0.099 1
1 1041 . 2 1 1 A 92 92 ASN HA H 130 4.300 4.756 -0.456 1
1 1046 . 2 1 1 A 92 92 ASN C C 130 172.034 176.198 -4.164 1
1 1047 . 2 1 1 A 92 92 ASN CA C 130 55.070 54.036 1.034 1
1 1048 . 2 1 1 A 92 92 ASN CB C 130 32.670 38.977 -6.307 1
1 1049 . 2 1 1 A 92 92 ASN N N 130 111.100 116.530 -5.430 1
1 1051 . 2 1 1 A 93 93 PRO HA H 131 4.220 4.398 -0.178 1
1 1058 . 2 1 1 A 93 93 PRO C C 131 173.540 178.633 -5.093 1
1 1059 . 2 1 1 A 93 93 PRO CA C 131 62.300 64.781 -2.481 1
1 1060 . 2 1 1 A 93 93 PRO CB C 131 28.140 31.586 -3.446 1
1 1062 . 2 1 1 A 94 94 TYR H H 132 7.630 8.006 -0.376 1
1 1063 . 2 1 1 A 94 94 TYR HA H 132 4.630 4.276 0.354 1
1 1068 . 2 1 1 A 94 94 TYR C C 132 172.700 175.678 -2.978 1
1 1069 . 2 1 1 A 94 94 TYR CA C 132 54.130 60.951 -6.821 1
1 1070 . 2 1 1 A 94 94 TYR CB C 132 36.500 38.986 -2.486 1
1 1071 . 2 1 1 A 94 94 TYR N N 132 114.100 118.901 -4.801 1
1 1072 . 2 1 1 A 95 95 ARG H H 133 7.250 7.849 -0.599 1
1 1073 . 2 1 1 A 95 95 ARG HA H 133 4.290 3.756 0.534 1
1 1081 . 2 1 1 A 95 95 ARG C C 133 173.763 174.494 -0.731 1
1 1082 . 2 1 1 A 95 95 ARG CA C 133 54.740 58.735 -3.995 1
1 1083 . 2 1 1 A 95 95 ARG CB C 133 27.880 28.371 -0.491 1
1 1086 . 2 1 1 A 95 95 ARG N N 133 119.390 118.881 0.509 1
1 1088 . 2 1 1 A 96 96 LYS H H 134 8.658 7.459 1.199 1
1 1089 . 2 1 1 A 96 96 LYS HA H 134 4.490 4.066 0.424 1
1 1098 . 2 1 1 A 96 96 LYS C C 134 173.560 175.698 -2.138 1
1 1099 . 2 1 1 A 96 96 LYS CA C 134 52.580 55.006 -2.426 1
1 1100 . 2 1 1 A 96 96 LYS CB C 134 30.590 33.344 -2.754 1
1 1104 . 2 1 1 A 96 96 LYS N N 134 125.000 116.948 8.052 1
1 1105 . 2 1 1 A 97 97 MET H H 135 8.330 7.717 0.613 1
1 1106 . 2 1 1 A 97 97 MET HA H 135 4.420 4.174 0.246 1
1 1114 . 2 1 1 A 97 97 MET C C 135 172.970 175.503 -2.533 1
1 1115 . 2 1 1 A 97 97 MET CA C 135 52.490 57.629 -5.139 1
1 1116 . 2 1 1 A 97 97 MET CB C 135 30.530 32.306 -1.776 1
1 1118 . 2 1 1 A 97 97 MET N N 135 120.890 119.857 1.033 1
1 1119 . 2 1 1 A 98 98 ALA H H 136 8.290 7.761 0.529 1
1 1120 . 2 1 1 A 98 98 ALA HA H 136 4.180 4.759 -0.579 1
1 1124 . 2 1 1 A 98 98 ALA C C 136 173.767 176.310 -2.543 1
1 1125 . 2 1 1 A 98 98 ALA CA C 136 49.750 50.625 -0.875 1
1 1126 . 2 1 1 A 98 98 ALA CB C 136 16.350 21.061 -4.711 1
1 1127 . 2 1 1 A 98 98 ALA N N 136 126.050 121.622 4.428 1
1 1 . 3 1 1 A 3 3 VAL HA H 41 3.360 3.686 -0.326 1
1 9 . 3 1 1 A 3 3 VAL CA C 41 64.070 65.701 -1.631 1
1 10 . 3 1 1 A 3 3 VAL CB C 41 28.620 31.530 -2.910 1
1 13 . 3 1 1 A 4 4 LYS H H 42 8.223 7.968 0.255 1
1 14 . 3 1 1 A 4 4 LYS HA H 42 3.610 4.015 -0.405 1
1 21 . 3 1 1 A 4 4 LYS C C 42 175.928 179.743 -3.815 1
1 22 . 3 1 1 A 4 4 LYS CA C 42 58.640 59.688 -1.048 1
1 23 . 3 1 1 A 4 4 LYS CB C 42 28.640 32.107 -3.467 1
1 25 . 3 1 1 A 4 4 LYS N N 42 118.080 121.628 -3.548 1
1 26 . 3 1 1 A 5 5 ARG H H 43 7.920 7.755 0.165 1
1 27 . 3 1 1 A 5 5 ARG HA H 43 4.060 4.101 -0.041 1
1 34 . 3 1 1 A 5 5 ARG C C 43 177.798 178.562 -0.764 1
1 35 . 3 1 1 A 5 5 ARG CA C 43 56.640 58.670 -2.030 1
1 36 . 3 1 1 A 5 5 ARG CB C 43 27.200 30.006 -2.806 1
1 38 . 3 1 1 A 5 5 ARG N N 43 117.720 120.476 -2.756 1
1 39 . 3 1 1 A 6 6 LEU H H 44 7.660 8.036 -0.376 1
1 40 . 3 1 1 A 6 6 LEU HA H 44 4.100 4.070 0.030 1
1 50 . 3 1 1 A 6 6 LEU C C 44 176.114 179.229 -3.115 1
1 51 . 3 1 1 A 6 6 LEU CA C 44 55.100 57.684 -2.584 1
1 52 . 3 1 1 A 6 6 LEU CB C 44 39.570 41.901 -2.331 1
1 56 . 3 1 1 A 6 6 LEU N N 44 121.040 119.649 1.391 1
1 57 . 3 1 1 A 7 7 LEU H H 45 7.520 7.879 -0.359 1
1 58 . 3 1 1 A 7 7 LEU HA H 45 4.350 4.189 0.161 1
1 68 . 3 1 1 A 7 7 LEU C C 45 172.937 179.340 -6.403 1
1 69 . 3 1 1 A 7 7 LEU CA C 45 51.480 56.729 -5.249 1
1 70 . 3 1 1 A 7 7 LEU CB C 45 40.300 41.709 -1.409 1
1 74 . 3 1 1 A 7 7 LEU N N 45 116.660 116.113 0.547 1
1 75 . 3 1 1 A 8 8 SER H H 46 7.840 8.160 -0.320 1
1 76 . 3 1 1 A 8 8 SER HA H 46 3.960 4.317 -0.357 1
1 79 . 3 1 1 A 8 8 SER CA C 46 56.360 60.975 -4.615 1
1 80 . 3 1 1 A 8 8 SER CB C 46 58.870 62.789 -3.919 1
1 81 . 3 1 1 A 8 8 SER N N 46 113.750 115.119 -1.369 1
1 82 . 3 1 1 A 9 9 ILE H H 47 8.290 7.662 0.628 1
1 83 . 3 1 1 A 9 9 ILE HA H 47 4.230 4.355 -0.125 1
1 93 . 3 1 1 A 9 9 ILE C C 47 174.540 175.891 -1.351 1
1 94 . 3 1 1 A 9 9 ILE CA C 47 58.680 62.732 -4.052 1
1 95 . 3 1 1 A 9 9 ILE CB C 47 36.912 40.181 -3.269 1
1 99 . 3 1 1 A 9 9 ILE N N 47 119.850 118.515 1.335 1
1 100 . 3 1 1 A 10 10 THR H H 48 8.760 8.368 0.392 1
1 101 . 3 1 1 A 10 10 THR HA H 48 4.465 4.534 -0.069 1
1 106 . 3 1 1 A 10 10 THR C C 48 171.266 174.745 -3.479 1
1 107 . 3 1 1 A 10 10 THR CA C 48 58.390 61.860 -3.470 1
1 108 . 3 1 1 A 10 10 THR CB C 48 66.310 67.565 -1.255 1
1 110 . 3 1 1 A 10 10 THR N N 48 117.590 113.236 4.354 1
1 111 . 3 1 1 A 11 11 ASN H H 49 7.360 8.596 -1.236 1
1 112 . 3 1 1 A 11 11 ASN HA H 49 4.909 4.820 0.089 1
1 117 . 3 1 1 A 11 11 ASN C C 49 172.506 174.802 -2.296 1
1 118 . 3 1 1 A 11 11 ASN CA C 49 49.430 53.961 -4.531 1
1 119 . 3 1 1 A 11 11 ASN CB C 49 37.420 41.272 -3.852 1
1 120 . 3 1 1 A 11 11 ASN N N 49 113.560 122.048 -8.488 1
1 122 . 3 1 1 A 12 12 ASP H H 50 8.256 8.110 0.146 1
1 123 . 3 1 1 A 12 12 ASP HA H 50 4.650 4.586 0.064 1
1 126 . 3 1 1 A 12 12 ASP C C 50 176.400 177.509 -1.109 1
1 127 . 3 1 1 A 12 12 ASP CA C 50 51.210 54.374 -3.164 1
1 128 . 3 1 1 A 12 12 ASP CB C 50 38.080 41.446 -3.366 1
1 129 . 3 1 1 A 12 12 ASP N N 50 117.210 119.062 -1.852 1
1 130 . 3 1 1 A 13 13 LYS H H 51 7.895 8.633 -0.738 1
1 131 . 3 1 1 A 13 13 LYS HA H 51 3.840 4.028 -0.188 1
1 140 . 3 1 1 A 13 13 LYS C C 51 174.700 178.381 -3.681 1
1 141 . 3 1 1 A 13 13 LYS CA C 51 56.320 58.692 -2.372 1
1 142 . 3 1 1 A 13 13 LYS CB C 51 29.760 31.776 -2.016 1
1 146 . 3 1 1 A 13 13 LYS N N 51 120.500 122.110 -1.610 1
1 147 . 3 1 1 A 14 14 HIS H H 52 9.000 7.767 1.233 1
1 148 . 3 1 1 A 14 14 HIS HA H 52 5.120 4.468 0.652 1
1 152 . 3 1 1 A 14 14 HIS C C 52 173.200 177.698 -4.498 1
1 153 . 3 1 1 A 14 14 HIS CA C 52 52.370 59.880 -7.510 1
1 154 . 3 1 1 A 14 14 HIS CB C 52 27.520 29.521 -2.001 1
1 155 . 3 1 1 A 14 14 HIS N N 52 116.200 118.500 -2.300 1
1 156 . 3 1 1 A 15 15 ASP H H 53 7.640 8.568 -0.928 1
1 157 . 3 1 1 A 15 15 ASP HA H 53 4.120 4.319 -0.199 1
1 160 . 3 1 1 A 15 15 ASP C C 53 176.183 178.580 -2.397 1
1 161 . 3 1 1 A 15 15 ASP CA C 53 56.060 56.833 -0.773 1
1 162 . 3 1 1 A 15 15 ASP CB C 53 36.350 40.196 -3.846 1
1 163 . 3 1 1 A 15 15 ASP N N 53 122.780 118.721 4.059 1
1 164 . 3 1 1 A 16 16 GLU H H 54 8.890 8.339 0.551 1
1 165 . 3 1 1 A 16 16 GLU HA H 54 4.020 4.114 -0.094 1
1 170 . 3 1 1 A 16 16 GLU CA C 54 57.770 59.300 -1.530 1
1 171 . 3 1 1 A 16 16 GLU CB C 54 26.330 29.178 -2.848 1
1 173 . 3 1 1 A 16 16 GLU N N 54 122.770 118.967 3.803 1
1 174 . 3 1 1 A 17 17 TYR H H 55 8.130 8.165 -0.035 1
1 175 . 3 1 1 A 17 17 TYR HA H 55 4.390 4.225 0.165 1
1 180 . 3 1 1 A 17 17 TYR C C 55 175.213 177.517 -2.304 1
1 181 . 3 1 1 A 17 17 TYR CA C 55 58.150 61.379 -3.229 1
1 182 . 3 1 1 A 17 17 TYR CB C 55 36.000 38.654 -2.654 1
1 185 . 3 1 1 A 17 17 TYR N N 55 121.000 121.886 -0.886 1
1 186 . 3 1 1 A 18 18 LEU H H 56 8.740 8.663 0.077 1
1 187 . 3 1 1 A 18 18 LEU HA H 56 3.710 3.953 -0.243 1
1 197 . 3 1 1 A 18 18 LEU C C 56 175.500 178.460 -2.960 1
1 198 . 3 1 1 A 18 18 LEU CA C 56 55.470 58.164 -2.694 1
1 199 . 3 1 1 A 18 18 LEU CB C 56 39.920 41.841 -1.921 1
1 203 . 3 1 1 A 18 18 LEU N N 56 118.100 120.756 -2.656 1
1 204 . 3 1 1 A 19 19 THR H H 57 8.420 8.450 -0.030 1
1 205 . 3 1 1 A 19 19 THR HA H 57 3.820 3.944 -0.124 1
1 210 . 3 1 1 A 19 19 THR C C 57 172.234 177.490 -5.256 1
1 211 . 3 1 1 A 19 19 THR CA C 57 64.220 65.897 -1.677 1
1 212 . 3 1 1 A 19 19 THR CB C 57 66.050 68.368 -2.318 1
1 214 . 3 1 1 A 19 19 THR N N 57 114.940 111.639 3.301 1
1 215 . 3 1 1 A 20 20 GLU H H 58 7.087 7.499 -0.412 1
1 216 . 3 1 1 A 20 20 GLU HA H 58 4.320 3.939 0.381 1
1 221 . 3 1 1 A 20 20 GLU C C 58 175.554 179.394 -3.840 1
1 222 . 3 1 1 A 20 20 GLU CA C 58 55.170 59.445 -4.275 1
1 223 . 3 1 1 A 20 20 GLU CB C 58 27.920 28.919 -0.999 1
1 225 . 3 1 1 A 20 20 GLU N N 58 117.800 122.224 -4.424 1
1 226 . 3 1 1 A 21 21 MET H H 59 8.320 7.907 0.413 1
1 227 . 3 1 1 A 21 21 MET HA H 59 4.330 3.185 1.145 1
1 235 . 3 1 1 A 21 21 MET C C 59 175.330 178.736 -3.406 1
1 236 . 3 1 1 A 21 21 MET CA C 59 54.270 58.178 -3.908 1
1 237 . 3 1 1 A 21 21 MET CB C 59 30.620 32.227 -1.607 1
1 240 . 3 1 1 A 21 21 MET N N 59 116.300 119.412 -3.112 1
1 241 . 3 1 1 A 22 22 VAL H H 60 8.800 7.895 0.905 1
1 242 . 3 1 1 A 22 22 VAL HA H 60 3.630 3.535 0.095 1
1 250 . 3 1 1 A 22 22 VAL C C 60 172.042 174.535 -2.493 1
1 251 . 3 1 1 A 22 22 VAL CA C 60 66.980 67.337 -0.357 1
1 252 . 3 1 1 A 22 22 VAL CB C 60 26.120 29.504 -3.384 1
1 255 . 3 1 1 A 22 22 VAL N N 60 117.600 119.403 -1.803 1
1 256 . 3 1 1 A 23 23 PRO HA H 61 4.270 4.408 -0.138 1
1 263 . 3 1 1 A 23 23 PRO C C 61 177.110 179.097 -1.987 1
1 264 . 3 1 1 A 23 23 PRO CA C 61 63.460 65.404 -1.944 1
1 265 . 3 1 1 A 23 23 PRO CB C 61 28.400 31.252 -2.852 1
1 267 . 3 1 1 A 24 24 LEU H H 62 6.700 7.137 -0.437 1
1 268 . 3 1 1 A 24 24 LEU HA H 62 4.250 3.962 0.288 1
1 278 . 3 1 1 A 24 24 LEU C C 62 177.872 179.627 -1.755 1
1 279 . 3 1 1 A 24 24 LEU CA C 62 55.130 57.611 -2.481 1
1 280 . 3 1 1 A 24 24 LEU CB C 62 39.440 41.223 -1.783 1
1 284 . 3 1 1 A 24 24 LEU N N 62 115.750 117.413 -1.663 1
1 285 . 3 1 1 A 25 25 LEU H H 63 8.190 7.609 0.581 1
1 286 . 3 1 1 A 25 25 LEU HA H 63 3.920 4.600 -0.680 1
1 296 . 3 1 1 A 25 25 LEU C C 63 176.367 178.506 -2.139 1
1 297 . 3 1 1 A 25 25 LEU CA C 63 54.950 58.080 -3.130 1
1 298 . 3 1 1 A 25 25 LEU CB C 63 41.090 41.967 -0.877 1
1 302 . 3 1 1 A 25 25 LEU N N 63 121.800 119.997 1.803 1
1 303 . 3 1 1 A 26 26 VAL H H 64 8.590 8.712 -0.122 1
1 304 . 3 1 1 A 26 26 VAL HA H 64 3.480 3.622 -0.142 1
1 312 . 3 1 1 A 26 26 VAL C C 64 174.801 178.536 -3.735 1
1 313 . 3 1 1 A 26 26 VAL CA C 64 64.860 67.257 -2.397 1
1 314 . 3 1 1 A 26 26 VAL CB C 64 28.900 31.395 -2.495 1
1 317 . 3 1 1 A 26 26 VAL N N 64 120.990 119.467 1.523 1
1 318 . 3 1 1 A 27 27 GLU H H 65 8.090 8.281 -0.191 1
1 319 . 3 1 1 A 27 27 GLU HA H 65 3.970 3.842 0.128 1
1 324 . 3 1 1 A 27 27 GLU C C 65 176.169 178.684 -2.515 1
1 325 . 3 1 1 A 27 27 GLU CA C 65 56.990 59.358 -2.368 1
1 326 . 3 1 1 A 27 27 GLU CB C 65 26.540 29.674 -3.134 1
1 328 . 3 1 1 A 27 27 GLU N N 65 118.990 120.216 -1.226 1
1 329 . 3 1 1 A 28 28 PHE H H 66 8.075 8.001 0.074 1
1 330 . 3 1 1 A 28 28 PHE HA H 66 4.570 4.102 0.468 1
1 337 . 3 1 1 A 28 28 PHE C C 66 173.482 177.182 -3.700 1
1 338 . 3 1 1 A 28 28 PHE CA C 66 58.390 61.929 -3.539 1
1 339 . 3 1 1 A 28 28 PHE CB C 66 36.680 39.171 -2.491 1
1 340 . 3 1 1 A 28 28 PHE N N 66 119.000 120.905 -1.905 1
1 341 . 3 1 1 A 29 29 ALA H H 67 8.420 8.516 -0.096 1
1 342 . 3 1 1 A 29 29 ALA HA H 67 3.500 3.261 0.239 1
1 346 . 3 1 1 A 29 29 ALA C C 67 176.624 179.136 -2.512 1
1 347 . 3 1 1 A 29 29 ALA CA C 67 52.800 54.915 -2.115 1
1 348 . 3 1 1 A 29 29 ALA CB C 67 15.290 18.439 -3.149 1
1 349 . 3 1 1 A 29 29 ALA N N 67 121.810 120.878 0.932 1
1 350 . 3 1 1 A 30 30 LYS H H 68 8.227 7.563 0.664 1
1 351 . 3 1 1 A 30 30 LYS HA H 68 4.090 3.753 0.337 1
1 360 . 3 1 1 A 30 30 LYS C C 68 177.400 178.878 -1.478 1
1 361 . 3 1 1 A 30 30 LYS CA C 68 56.700 58.586 -1.886 1
1 362 . 3 1 1 A 30 30 LYS CB C 68 31.230 31.463 -0.233 1
1 366 . 3 1 1 A 30 30 LYS N N 68 117.500 118.469 -0.969 1
1 367 . 3 1 1 A 31 31 ASP H H 69 7.820 7.709 0.111 1
1 368 . 3 1 1 A 31 31 ASP HA H 69 4.210 4.423 -0.213 1
1 371 . 3 1 1 A 31 31 ASP C C 69 176.438 178.279 -1.841 1
1 372 . 3 1 1 A 31 31 ASP CA C 69 54.310 56.730 -2.420 1
1 373 . 3 1 1 A 31 31 ASP CB C 69 38.320 41.419 -3.099 1
1 374 . 3 1 1 A 31 31 ASP N N 69 120.370 119.603 0.767 1
1 375 . 3 1 1 A 32 32 GLU H H 70 8.840 8.779 0.061 1
1 376 . 3 1 1 A 32 32 GLU HA H 70 3.730 3.977 -0.247 1
1 381 . 3 1 1 A 32 32 GLU C C 70 176.119 177.057 -0.938 1
1 382 . 3 1 1 A 32 32 GLU CA C 70 55.270 59.104 -3.834 1
1 383 . 3 1 1 A 32 32 GLU CB C 70 26.810 28.923 -2.113 1
1 385 . 3 1 1 A 32 32 GLU N N 70 120.750 116.234 4.516 1
1 386 . 3 1 1 A 33 33 CYS H H 71 7.960 7.258 0.702 1
1 387 . 3 1 1 A 33 33 CYS HA H 71 4.070 4.297 -0.227 1
1 390 . 3 1 1 A 33 33 CYS C C 71 170.993 174.122 -3.129 1
1 391 . 3 1 1 A 33 33 CYS CA C 71 58.160 58.279 -0.119 1
1 392 . 3 1 1 A 33 33 CYS CB C 71 26.000 27.752 -1.752 1
1 393 . 3 1 1 A 33 33 CYS N N 71 111.530 118.470 -6.940 1
1 394 . 3 1 1 A 34 34 HIS H H 72 7.560 7.965 -0.405 1
1 395 . 3 1 1 A 34 34 HIS HA H 72 4.040 4.308 -0.268 1
1 398 . 3 1 1 A 34 34 HIS C C 72 170.400 174.285 -3.885 1
1 399 . 3 1 1 A 34 34 HIS CA C 72 53.230 56.889 -3.659 1
1 400 . 3 1 1 A 34 34 HIS CB C 72 23.830 26.614 -2.784 1
1 401 . 3 1 1 A 34 34 HIS N N 72 118.100 116.883 1.217 1
1 402 . 3 1 1 A 35 35 ASN H H 73 7.590 7.966 -0.376 1
1 403 . 3 1 1 A 35 35 ASN HA H 73 4.805 4.912 -0.107 1
1 408 . 3 1 1 A 35 35 ASN C C 73 170.429 176.021 -5.592 1
1 409 . 3 1 1 A 35 35 ASN CA C 73 46.130 51.790 -5.660 1
1 410 . 3 1 1 A 35 35 ASN CB C 73 39.580 38.696 0.884 1
1 411 . 3 1 1 A 35 35 ASN N N 73 112.400 116.050 -3.650 1
1 413 . 3 1 1 A 36 36 PRO HA H 74 4.120 4.514 -0.394 1
1 420 . 3 1 1 A 36 36 PRO C C 74 173.450 176.592 -3.142 1
1 421 . 3 1 1 A 36 36 PRO CA C 74 59.950 62.810 -2.860 1
1 422 . 3 1 1 A 36 36 PRO CB C 74 29.200 30.043 -0.843 1
1 425 . 3 1 1 A 37 37 PHE H H 75 8.057 7.430 0.627 1
1 426 . 3 1 1 A 37 37 PHE HA H 75 4.200 4.577 -0.377 1
1 432 . 3 1 1 A 37 37 PHE C C 75 171.107 175.026 -3.919 1
1 433 . 3 1 1 A 37 37 PHE CA C 75 55.120 57.029 -1.909 1
1 434 . 3 1 1 A 37 37 PHE CB C 75 33.760 39.256 -5.496 1
1 436 . 3 1 1 A 38 38 ILE H H 76 7.610 7.325 0.285 1
1 437 . 3 1 1 A 38 38 ILE HA H 76 4.870 4.654 0.216 1
1 447 . 3 1 1 A 38 38 ILE C C 76 174.180 173.949 0.231 1
1 448 . 3 1 1 A 38 38 ILE CA C 76 56.300 59.462 -3.162 1
1 449 . 3 1 1 A 38 38 ILE CB C 76 38.040 41.009 -2.969 1
1 453 . 3 1 1 A 38 38 ILE N N 76 113.800 120.632 -6.832 1
1 454 . 3 1 1 A 39 39 ASP H H 77 8.830 8.687 0.143 1
1 455 . 3 1 1 A 39 39 ASP HA H 77 4.710 4.979 -0.269 1
1 458 . 3 1 1 A 39 39 ASP C C 77 175.969 176.423 -0.454 1
1 459 . 3 1 1 A 39 39 ASP CA C 77 49.800 52.047 -2.247 1
1 460 . 3 1 1 A 39 39 ASP CB C 77 39.180 43.772 -4.592 1
1 461 . 3 1 1 A 39 39 ASP N N 77 125.380 124.688 0.692 1
1 462 . 3 1 1 A 40 40 LYS H H 78 8.370 8.874 -0.504 1
1 463 . 3 1 1 A 40 40 LYS HA H 78 4.100 3.948 0.152 1
1 468 . 3 1 1 A 40 40 LYS C C 78 174.100 177.317 -3.217 1
1 469 . 3 1 1 A 40 40 LYS CA C 78 55.800 58.455 -2.655 1
1 470 . 3 1 1 A 40 40 LYS CB C 78 29.120 32.443 -3.323 1
1 471 . 3 1 1 A 40 40 LYS N N 78 116.800 125.963 -9.163 1
1 472 . 3 1 1 A 41 41 ASP H H 79 8.030 7.941 0.089 1
1 473 . 3 1 1 A 41 41 ASP HA H 79 4.810 4.663 0.147 1
1 476 . 3 1 1 A 41 41 ASP C C 79 173.360 176.785 -3.425 1
1 477 . 3 1 1 A 41 41 ASP CA C 79 51.650 53.932 -2.282 1
1 478 . 3 1 1 A 41 41 ASP CB C 79 39.570 41.757 -2.187 1
1 479 . 3 1 1 A 41 41 ASP N N 79 118.660 116.288 2.372 1
1 480 . 3 1 1 A 42 42 GLY H H 80 8.090 8.203 -0.113 1
1 481 . 3 1 1 A 42 42 GLY HA2 H 80 4.230 3.882 0.348 1
1 482 . 3 1 1 A 42 42 GLY HA3 H 80 3.490 3.901 -0.411 1
1 483 . 3 1 1 A 42 42 GLY C C 80 171.399 174.021 -2.622 1
1 484 . 3 1 1 A 42 42 GLY CA C 80 42.720 45.983 -3.263 1
1 485 . 3 1 1 A 42 42 GLY N N 80 107.750 109.181 -1.431 1
1 486 . 3 1 1 A 43 43 ASN H H 81 8.470 7.903 0.567 1
1 487 . 3 1 1 A 43 43 ASN HA H 81 4.815 5.057 -0.242 1
1 492 . 3 1 1 A 43 43 ASN C C 81 172.066 174.347 -2.281 1
1 493 . 3 1 1 A 43 43 ASN CA C 81 49.580 51.395 -1.815 1
1 494 . 3 1 1 A 43 43 ASN CB C 81 36.800 40.780 -3.980 1
1 495 . 3 1 1 A 43 43 ASN N N 81 117.600 118.785 -1.185 1
1 497 . 3 1 1 A 44 44 GLU H H 82 8.730 8.593 0.137 1
1 498 . 3 1 1 A 44 44 GLU HA H 82 4.370 4.958 -0.588 1
1 503 . 3 1 1 A 44 44 GLU C C 82 173.651 175.625 -1.974 1
1 504 . 3 1 1 A 44 44 GLU CA C 82 55.170 55.547 -0.377 1
1 505 . 3 1 1 A 44 44 GLU CB C 82 27.740 31.944 -4.204 1
1 507 . 3 1 1 A 44 44 GLU N N 82 123.400 120.711 2.689 1
1 508 . 3 1 1 A 45 45 SER H H 83 8.960 9.037 -0.077 1
1 509 . 3 1 1 A 45 45 SER HA H 83 4.510 4.938 -0.428 1
1 512 . 3 1 1 A 45 45 SER C C 83 170.100 172.794 -2.694 1
1 513 . 3 1 1 A 45 45 SER CA C 83 53.800 56.962 -3.162 1
1 514 . 3 1 1 A 45 45 SER CB C 83 60.320 65.565 -5.245 1
1 515 . 3 1 1 A 45 45 SER N N 83 123.400 116.402 6.998 1
1 516 . 3 1 1 A 46 46 ILE H H 84 8.990 8.679 0.311 1
1 517 . 3 1 1 A 46 46 ILE HA H 84 3.880 5.043 -1.163 1
1 527 . 3 1 1 A 46 46 ILE C C 84 177.600 173.967 3.633 1
1 528 . 3 1 1 A 46 46 ILE CA C 84 55.490 57.255 -1.765 1
1 529 . 3 1 1 A 46 46 ILE CB C 84 34.850 41.154 -6.304 1
1 533 . 3 1 1 A 46 46 ILE N N 84 127.800 119.751 8.049 1
1 534 . 3 1 1 A 47 47 PRO HA H 85 3.840 4.681 -0.841 1
1 541 . 3 1 1 A 47 47 PRO C C 85 172.918 177.475 -4.557 1
1 542 . 3 1 1 A 47 47 PRO CA C 85 61.880 62.406 -0.526 1
1 543 . 3 1 1 A 47 47 PRO CB C 85 34.920 33.106 1.814 1
1 546 . 3 1 1 A 48 48 SER H H 86 7.780 8.705 -0.925 1
1 547 . 3 1 1 A 48 48 SER C C 86 174.554 176.772 -2.218 1
1 548 . 3 1 1 A 49 49 GLY H H 87 8.230 8.347 -0.117 1
1 549 . 3 1 1 A 49 49 GLY HA2 H 87 4.300 3.684 0.616 1
1 550 . 3 1 1 A 49 49 GLY HA3 H 87 3.950 3.698 0.252 1
1 551 . 3 1 1 A 49 49 GLY C C 87 173.507 176.231 -2.724 1
1 552 . 3 1 1 A 49 49 GLY CA C 87 44.600 47.418 -2.818 1
1 553 . 3 1 1 A 49 49 GLY N N 87 105.900 108.970 -3.070 1
1 554 . 3 1 1 A 50 50 VAL H H 88 6.855 8.181 -1.326 1
1 555 . 3 1 1 A 50 50 VAL HA H 88 3.510 4.078 -0.568 1
1 563 . 3 1 1 A 50 50 VAL C C 88 174.450 178.034 -3.584 1
1 564 . 3 1 1 A 50 50 VAL CA C 88 62.420 65.807 -3.387 1
1 565 . 3 1 1 A 50 50 VAL CB C 88 28.000 31.284 -3.284 1
1 568 . 3 1 1 A 50 50 VAL N N 88 119.950 119.314 0.636 1
1 569 . 3 1 1 A 51 51 LEU H H 89 7.360 7.958 -0.598 1
1 570 . 3 1 1 A 51 51 LEU HA H 89 3.570 4.123 -0.553 1
1 580 . 3 1 1 A 51 51 LEU C C 89 175.078 178.324 -3.246 1
1 581 . 3 1 1 A 51 51 LEU CA C 89 55.490 58.142 -2.652 1
1 582 . 3 1 1 A 51 51 LEU CB C 89 37.320 41.589 -4.269 1
1 586 . 3 1 1 A 51 51 LEU N N 89 122.100 123.637 -1.537 1
1 587 . 3 1 1 A 52 52 ILE H H 90 7.770 7.652 0.118 1
1 588 . 3 1 1 A 52 52 ILE HA H 90 3.600 3.929 -0.329 1
1 598 . 3 1 1 A 52 52 ILE C C 90 175.000 178.149 -3.149 1
1 599 . 3 1 1 A 52 52 ILE CA C 90 62.720 64.124 -1.404 1
1 600 . 3 1 1 A 52 52 ILE CB C 90 34.510 37.250 -2.740 1
1 604 . 3 1 1 A 52 52 ILE N N 90 117.460 115.493 1.967 1
1 605 . 3 1 1 A 53 53 PHE H H 91 7.400 8.184 -0.784 1
1 606 . 3 1 1 A 53 53 PHE HA H 91 3.900 4.296 -0.396 1
1 613 . 3 1 1 A 53 53 PHE C C 91 172.073 177.112 -5.039 1
1 614 . 3 1 1 A 53 53 PHE CA C 91 59.340 61.565 -2.225 1
1 615 . 3 1 1 A 53 53 PHE CB C 91 35.540 39.081 -3.541 1
1 616 . 3 1 1 A 53 53 PHE N N 91 119.280 124.522 -5.242 1
1 617 . 3 1 1 A 54 54 VAL H H 92 8.450 8.082 0.368 1
1 618 . 3 1 1 A 54 54 VAL HA H 92 2.850 3.492 -0.642 1
1 626 . 3 1 1 A 54 54 VAL C C 92 174.300 177.761 -3.461 1
1 627 . 3 1 1 A 54 54 VAL CA C 92 63.860 65.290 -1.430 1
1 628 . 3 1 1 A 54 54 VAL CB C 92 28.570 31.049 -2.479 1
1 631 . 3 1 1 A 54 54 VAL N N 92 119.170 118.304 0.866 1
1 632 . 3 1 1 A 55 55 ALA H H 93 8.615 7.964 0.651 1
1 633 . 3 1 1 A 55 55 ALA HA H 93 3.750 4.000 -0.250 1
1 637 . 3 1 1 A 55 55 ALA C C 93 176.294 180.255 -3.961 1
1 638 . 3 1 1 A 55 55 ALA CA C 93 52.800 55.479 -2.679 1
1 639 . 3 1 1 A 55 55 ALA CB C 93 16.050 18.353 -2.303 1
1 640 . 3 1 1 A 55 55 ALA N N 93 120.170 123.634 -3.464 1
1 641 . 3 1 1 A 56 56 LYS H H 94 8.548 8.137 0.411 1
1 642 . 3 1 1 A 56 56 LYS HA H 94 3.980 4.082 -0.102 1
1 649 . 3 1 1 A 56 56 LYS C C 94 177.600 179.524 -1.924 1
1 650 . 3 1 1 A 56 56 LYS CA C 94 55.800 59.208 -3.408 1
1 651 . 3 1 1 A 56 56 LYS CB C 94 29.500 32.116 -2.616 1
1 654 . 3 1 1 A 56 56 LYS N N 94 115.200 117.321 -2.121 1
1 655 . 3 1 1 A 57 57 ALA H H 95 8.840 7.964 0.876 1
1 656 . 3 1 1 A 57 57 ALA HA H 95 3.940 4.236 -0.296 1
1 660 . 3 1 1 A 57 57 ALA C C 95 175.754 179.916 -4.162 1
1 661 . 3 1 1 A 57 57 ALA CA C 95 52.670 55.138 -2.468 1
1 662 . 3 1 1 A 57 57 ALA CB C 95 16.070 18.015 -1.945 1
1 663 . 3 1 1 A 57 57 ALA N N 95 124.210 122.649 1.561 1
1 664 . 3 1 1 A 58 58 ALA H H 96 8.816 7.508 1.308 1
1 665 . 3 1 1 A 58 58 ALA HA H 96 4.043 4.219 -0.176 1
1 669 . 3 1 1 A 58 58 ALA C C 96 177.600 179.717 -2.117 1
1 670 . 3 1 1 A 58 58 ALA CA C 96 52.770 54.997 -2.227 1
1 671 . 3 1 1 A 58 58 ALA CB C 96 13.560 18.463 -4.903 1
1 672 . 3 1 1 A 58 58 ALA N N 96 120.500 120.157 0.343 1
1 673 . 3 1 1 A 59 59 GLN H H 97 8.490 8.143 0.347 1
1 674 . 3 1 1 A 59 59 GLN HA H 97 3.960 4.117 -0.157 1
1 681 . 3 1 1 A 59 59 GLN C C 97 175.100 178.269 -3.169 1
1 682 . 3 1 1 A 59 59 GLN CA C 97 56.370 58.478 -2.108 1
1 683 . 3 1 1 A 59 59 GLN CB C 97 26.500 28.172 -1.672 1
1 684 . 3 1 1 A 59 59 GLN N N 97 118.750 116.316 2.434 1
1 686 . 3 1 1 A 60 60 PHE H H 98 8.020 7.935 0.085 1
1 687 . 3 1 1 A 60 60 PHE HA H 98 4.120 4.244 -0.124 1
1 694 . 3 1 1 A 60 60 PHE C C 98 174.780 177.063 -2.283 1
1 695 . 3 1 1 A 60 60 PHE CA C 98 58.650 61.464 -2.814 1
1 696 . 3 1 1 A 60 60 PHE CB C 98 35.240 39.124 -3.884 1
1 697 . 3 1 1 A 60 60 PHE N N 98 122.380 121.922 0.458 1
1 698 . 3 1 1 A 61 61 TYR H H 99 7.900 8.211 -0.311 1
1 699 . 3 1 1 A 61 61 TYR HA H 99 3.900 4.088 -0.188 1
1 704 . 3 1 1 A 61 61 TYR C C 99 175.494 177.549 -2.055 1
1 705 . 3 1 1 A 61 61 TYR CA C 99 60.600 61.482 -0.882 1
1 706 . 3 1 1 A 61 61 TYR CB C 99 36.120 38.318 -2.198 1
1 707 . 3 1 1 A 61 61 TYR N N 99 118.100 119.820 -1.720 1
1 708 . 3 1 1 A 62 62 MET H H 100 8.170 8.387 -0.217 1
1 709 . 3 1 1 A 62 62 MET HA H 100 3.810 4.241 -0.431 1
1 717 . 3 1 1 A 62 62 MET C C 100 175.130 178.317 -3.187 1
1 718 . 3 1 1 A 62 62 MET CA C 100 56.270 58.382 -2.112 1
1 719 . 3 1 1 A 62 62 MET CB C 100 31.260 32.337 -1.077 1
1 722 . 3 1 1 A 62 62 MET N N 100 118.350 118.571 -0.221 1
1 723 . 3 1 1 A 63 63 THR H H 101 7.720 7.873 -0.153 1
1 724 . 3 1 1 A 63 63 THR HA H 101 4.120 4.058 0.062 1
1 729 . 3 1 1 A 63 63 THR C C 101 172.265 174.515 -2.250 1
1 730 . 3 1 1 A 63 63 THR CA C 101 60.060 64.716 -4.656 1
1 731 . 3 1 1 A 63 63 THR CB C 101 66.880 69.705 -2.825 1
1 733 . 3 1 1 A 63 63 THR N N 101 110.720 113.725 -3.005 1
1 734 . 3 1 1 A 64 64 ASN H H 102 7.620 7.578 0.042 1
1 735 . 3 1 1 A 64 64 ASN HA H 102 4.541 4.805 -0.264 1
1 740 . 3 1 1 A 64 64 ASN C C 102 172.591 174.874 -2.283 1
1 741 . 3 1 1 A 64 64 ASN CA C 102 51.480 52.638 -1.158 1
1 742 . 3 1 1 A 64 64 ASN CB C 102 36.830 38.777 -1.947 1
1 743 . 3 1 1 A 64 64 ASN N N 102 114.000 118.565 -4.565 1
1 745 . 3 1 1 A 65 65 ALA H H 103 8.060 7.758 0.302 1
1 746 . 3 1 1 A 65 65 ALA HA H 103 4.183 4.274 -0.091 1
1 750 . 3 1 1 A 65 65 ALA C C 103 176.032 177.651 -1.619 1
1 751 . 3 1 1 A 65 65 ALA CA C 103 51.130 50.901 0.229 1
1 752 . 3 1 1 A 65 65 ALA CB C 103 16.230 18.716 -2.486 1
1 753 . 3 1 1 A 65 65 ALA N N 103 123.910 122.921 0.989 1
1 754 . 3 1 1 A 66 66 GLY H H 104 8.220 7.815 0.405 1
1 755 . 3 1 1 A 66 66 GLY HA2 H 104 3.883 3.856 0.027 1
1 756 . 3 1 1 A 66 66 GLY C C 104 172.222 174.928 -2.706 1
1 757 . 3 1 1 A 66 66 GLY CA C 104 43.170 45.273 -2.103 1
1 758 . 3 1 1 A 66 66 GLY N N 104 106.420 106.276 0.144 1
1 759 . 3 1 1 A 67 67 LEU H H 105 7.890 7.764 0.126 1
1 760 . 3 1 1 A 67 67 LEU HA H 105 4.290 3.872 0.418 1
1 770 . 3 1 1 A 67 67 LEU C C 105 175.406 178.481 -3.075 1
1 771 . 3 1 1 A 67 67 LEU CA C 105 53.110 57.189 -4.079 1
1 772 . 3 1 1 A 67 67 LEU CB C 105 39.740 41.992 -2.252 1
1 776 . 3 1 1 A 67 67 LEU N N 105 120.570 119.270 1.300 1
1 777 . 3 1 1 A 68 68 THR H H 106 7.940 7.731 0.209 1
1 778 . 3 1 1 A 68 68 THR HA H 106 4.330 4.310 0.020 1
1 783 . 3 1 1 A 68 68 THR C C 106 172.806 175.897 -3.091 1
1 784 . 3 1 1 A 68 68 THR CA C 106 59.700 62.506 -2.806 1
1 785 . 3 1 1 A 68 68 THR CB C 106 67.140 68.615 -1.475 1
1 787 . 3 1 1 A 68 68 THR N N 106 111.750 115.594 -3.844 1
1 788 . 3 1 1 A 69 69 GLY H H 107 8.340 7.993 0.347 1
1 789 . 3 1 1 A 69 69 GLY HA2 H 107 3.940 3.912 0.028 1
1 790 . 3 1 1 A 69 69 GLY C C 107 171.503 174.462 -2.959 1
1 791 . 3 1 1 A 69 69 GLY CA C 107 42.990 45.434 -2.444 1
1 792 . 3 1 1 A 69 69 GLY N N 107 110.910 109.557 1.353 1
1 793 . 3 1 1 A 70 70 ARG H H 108 7.930 7.540 0.390 1
1 794 . 3 1 1 A 70 70 ARG HA H 108 4.355 4.594 -0.239 1
1 801 . 3 1 1 A 70 70 ARG C C 108 173.543 174.996 -1.453 1
1 802 . 3 1 1 A 70 70 ARG CA C 108 53.170 57.175 -4.005 1
1 803 . 3 1 1 A 70 70 ARG CB C 108 28.470 33.086 -4.616 1
1 806 . 3 1 1 A 70 70 ARG N N 108 119.900 119.345 0.555 1
1 807 . 3 1 1 A 71 71 SER H H 109 8.400 8.336 0.064 1
1 808 . 3 1 1 A 71 71 SER HA H 109 4.409 4.826 -0.417 1
1 811 . 3 1 1 A 71 71 SER C C 109 172.430 173.444 -1.014 1
1 812 . 3 1 1 A 71 71 SER CA C 109 55.630 57.139 -1.509 1
1 813 . 3 1 1 A 71 71 SER CB C 109 61.060 66.207 -5.147 1
1 814 . 3 1 1 A 71 71 SER N N 109 116.970 114.766 2.204 1
1 815 . 3 1 1 A 72 72 MET H H 110 8.590 8.989 -0.399 1
1 816 . 3 1 1 A 72 72 MET HA H 110 4.394 4.561 -0.167 1
1 822 . 3 1 1 A 72 72 MET C C 110 173.487 174.691 -1.204 1
1 823 . 3 1 1 A 72 72 MET CA C 110 53.320 54.059 -0.739 1
1 824 . 3 1 1 A 72 72 MET CB C 110 29.300 33.684 -4.384 1
1 825 . 3 1 1 A 72 72 MET N N 110 122.250 121.846 0.404 1
1 826 . 3 1 1 A 73 73 ASP H H 111 8.260 8.418 -0.158 1
1 827 . 3 1 1 A 73 73 ASP HA H 111 4.514 5.371 -0.857 1
1 830 . 3 1 1 A 73 73 ASP C C 111 173.886 175.735 -1.849 1
1 831 . 3 1 1 A 73 73 ASP CA C 111 52.150 53.364 -1.214 1
1 832 . 3 1 1 A 73 73 ASP CB C 111 38.310 40.760 -2.450 1
1 833 . 3 1 1 A 73 73 ASP N N 111 119.420 120.828 -1.408 1
1 834 . 3 1 1 A 74 74 THR H H 112 7.900 8.248 -0.348 1
1 835 . 3 1 1 A 74 74 THR HA H 112 4.142 3.618 0.524 1
1 840 . 3 1 1 A 74 74 THR C C 112 172.029 174.008 -1.979 1
1 841 . 3 1 1 A 74 74 THR CA C 112 59.640 62.976 -3.336 1
1 842 . 3 1 1 A 74 74 THR CB C 112 66.820 66.318 0.502 1
1 844 . 3 1 1 A 74 74 THR N N 112 112.950 112.722 0.228 1
1 845 . 3 1 1 A 75 75 VAL H H 113 7.840 8.325 -0.485 1
1 846 . 3 1 1 A 75 75 VAL HA H 113 3.950 4.415 -0.465 1
1 854 . 3 1 1 A 75 75 VAL C C 113 173.067 175.496 -2.429 1
1 855 . 3 1 1 A 75 75 VAL CA C 113 60.070 60.845 -0.775 1
1 856 . 3 1 1 A 75 75 VAL CB C 113 29.740 31.492 -1.752 1
1 859 . 3 1 1 A 75 75 VAL N N 113 121.540 122.115 -0.575 1
1 860 . 3 1 1 A 76 76 SER H H 114 8.020 9.023 -1.003 1
1 861 . 3 1 1 A 76 76 SER HA H 114 3.974 4.090 -0.116 1
1 864 . 3 1 1 A 76 76 SER C C 114 171.259 173.664 -2.405 1
1 865 . 3 1 1 A 76 76 SER CA C 114 55.100 61.029 -5.929 1
1 866 . 3 1 1 A 76 76 SER CB C 114 61.160 61.327 -0.167 1
1 867 . 3 1 1 A 76 76 SER N N 114 117.830 119.476 -1.646 1
1 868 . 3 1 1 A 77 77 TYR H H 115 7.770 8.930 -1.160 1
1 869 . 3 1 1 A 77 77 TYR HA H 115 4.240 4.153 0.087 1
1 874 . 3 1 1 A 77 77 TYR C C 115 172.865 175.354 -2.489 1
1 875 . 3 1 1 A 77 77 TYR CA C 115 55.100 60.933 -5.833 1
1 876 . 3 1 1 A 77 77 TYR CB C 115 36.110 36.561 -0.451 1
1 877 . 3 1 1 A 77 77 TYR N N 115 121.280 117.962 3.318 1
1 878 . 3 1 1 A 78 78 ASN HA H 116 4.790 4.802 -0.012 1
1 883 . 3 1 1 A 78 78 ASN C C 116 172.080 175.690 -3.610 1
1 884 . 3 1 1 A 78 78 ASN CA C 116 48.910 52.233 -3.323 1
1 885 . 3 1 1 A 78 78 ASN CB C 116 35.500 39.297 -3.797 1
1 886 . 3 1 1 A 78 78 ASN N N 116 112.900 118.954 -6.054 1
1 887 . 3 1 1 A 79 79 PHE H H 117 7.410 7.428 -0.018 1
1 888 . 3 1 1 A 79 79 PHE HA H 117 4.440 4.274 0.166 1
1 895 . 3 1 1 A 79 79 PHE C C 117 174.370 176.549 -2.179 1
1 896 . 3 1 1 A 79 79 PHE CA C 117 56.890 60.333 -3.443 1
1 897 . 3 1 1 A 79 79 PHE CB C 117 34.540 38.005 -3.465 1
1 898 . 3 1 1 A 79 79 PHE N N 117 121.190 119.731 1.459 1
1 899 . 3 1 1 A 80 80 ALA H H 118 8.560 7.404 1.156 1
1 900 . 3 1 1 A 80 80 ALA HA H 118 4.140 2.256 1.884 1
1 904 . 3 1 1 A 80 80 ALA C C 118 176.482 177.401 -0.919 1
1 905 . 3 1 1 A 80 80 ALA CA C 118 52.430 52.817 -0.387 1
1 906 . 3 1 1 A 80 80 ALA CB C 118 16.160 18.437 -2.277 1
1 907 . 3 1 1 A 80 80 ALA N N 118 115.100 120.715 -5.615 1
1 908 . 3 1 1 A 81 81 THR H H 119 7.330 8.057 -0.727 1
1 909 . 3 1 1 A 81 81 THR HA H 119 4.450 4.581 -0.131 1
1 914 . 3 1 1 A 81 81 THR C C 119 172.909 173.832 -0.923 1
1 915 . 3 1 1 A 81 81 THR CA C 119 59.270 62.376 -3.106 1
1 916 . 3 1 1 A 81 81 THR CB C 119 66.770 71.915 -5.145 1
1 918 . 3 1 1 A 81 81 THR N N 119 104.710 111.283 -6.573 1
1 919 . 3 1 1 A 82 82 GLU H H 120 7.890 8.573 -0.683 1
1 920 . 3 1 1 A 82 82 GLU HA H 120 4.260 4.568 -0.308 1
1 924 . 3 1 1 A 82 82 GLU C C 120 177.060 174.976 2.084 1
1 925 . 3 1 1 A 82 82 GLU CA C 120 54.740 55.156 -0.416 1
1 926 . 3 1 1 A 82 82 GLU N N 120 120.760 119.194 1.566 1
1 927 . 3 1 1 A 83 83 ILE H H 121 7.630 8.170 -0.540 1
1 928 . 3 1 1 A 83 83 ILE HA H 121 3.330 3.778 -0.448 1
1 938 . 3 1 1 A 83 83 ILE CA C 121 57.580 61.938 -4.358 1
1 939 . 3 1 1 A 83 83 ILE CB C 121 35.770 36.821 -1.051 1
1 943 . 3 1 1 A 83 83 ILE N N 121 118.900 118.074 0.826 1
1 944 . 3 1 1 A 84 84 PRO HA H 122 4.200 4.414 -0.214 1
1 951 . 3 1 1 A 84 84 PRO CA C 122 60.510 62.932 -2.422 1
1 952 . 3 1 1 A 84 84 PRO CB C 122 27.260 31.519 -4.259 1
1 955 . 3 1 1 A 86 86 THR HA H 124 3.869 3.984 -0.115 1
1 960 . 3 1 1 A 86 86 THR C C 124 172.991 176.574 -3.583 1
1 961 . 3 1 1 A 86 86 THR CA C 124 61.980 66.033 -4.053 1
1 962 . 3 1 1 A 86 86 THR CB C 124 65.710 68.595 -2.885 1
1 964 . 3 1 1 A 87 87 ILE H H 125 7.340 7.787 -0.447 1
1 965 . 3 1 1 A 87 87 ILE HA H 125 3.920 3.908 0.012 1
1 975 . 3 1 1 A 87 87 ILE C C 125 175.375 177.939 -2.564 1
1 976 . 3 1 1 A 87 87 ILE CA C 125 61.900 64.509 -2.609 1
1 977 . 3 1 1 A 87 87 ILE CB C 125 35.690 37.284 -1.594 1
1 981 . 3 1 1 A 87 87 ILE N N 125 120.800 118.007 2.793 1
1 982 . 3 1 1 A 88 88 LEU HA H 126 4.070 3.921 0.149 1
1 992 . 3 1 1 A 88 88 LEU C C 126 177.060 178.814 -1.754 1
1 993 . 3 1 1 A 88 88 LEU CA C 126 55.950 57.748 -1.798 1
1 994 . 3 1 1 A 88 88 LEU CB C 126 39.710 41.482 -1.772 1
1 998 . 3 1 1 A 89 89 LYS H H 127 8.095 7.936 0.159 1
1 999 . 3 1 1 A 89 89 LYS HA H 127 4.030 4.060 -0.030 1
1 1008 . 3 1 1 A 89 89 LYS C C 127 176.400 178.519 -2.119 1
1 1009 . 3 1 1 A 89 89 LYS CA C 127 56.010 58.688 -2.678 1
1 1010 . 3 1 1 A 89 89 LYS CB C 127 29.650 32.351 -2.701 1
1 1014 . 3 1 1 A 89 89 LYS N N 127 116.100 119.640 -3.540 1
1 1015 . 3 1 1 A 90 90 LYS H H 128 7.848 7.828 0.020 1
1 1016 . 3 1 1 A 90 90 LYS HA H 128 4.160 3.965 0.195 1
1 1019 . 3 1 1 A 90 90 LYS C C 128 174.859 178.692 -3.833 1
1 1020 . 3 1 1 A 90 90 LYS CA C 128 54.750 58.347 -3.597 1
1 1021 . 3 1 1 A 90 90 LYS CB C 128 29.280 31.885 -2.605 1
1 1022 . 3 1 1 A 90 90 LYS N N 128 119.230 120.483 -1.253 1
1 1023 . 3 1 1 A 91 91 LEU H H 129 7.640 7.002 0.638 1
1 1024 . 3 1 1 A 91 91 LEU HA H 129 4.250 3.429 0.821 1
1 1034 . 3 1 1 A 91 91 LEU CA C 129 52.280 57.172 -4.892 1
1 1035 . 3 1 1 A 91 91 LEU CB C 129 39.000 40.959 -1.959 1
1 1039 . 3 1 1 A 91 91 LEU N N 129 112.650 120.233 -7.583 1
1 1040 . 3 1 1 A 92 92 ASN H H 130 7.560 7.588 -0.028 1
1 1041 . 3 1 1 A 92 92 ASN HA H 130 4.300 3.811 0.489 1
1 1046 . 3 1 1 A 92 92 ASN C C 130 172.034 175.815 -3.781 1
1 1047 . 3 1 1 A 92 92 ASN CA C 130 55.070 56.605 -1.535 1
1 1048 . 3 1 1 A 92 92 ASN CB C 130 32.670 37.398 -4.728 1
1 1049 . 3 1 1 A 92 92 ASN N N 130 111.100 116.457 -5.357 1
1 1051 . 3 1 1 A 93 93 PRO HA H 131 4.220 4.332 -0.112 1
1 1058 . 3 1 1 A 93 93 PRO C C 131 173.540 177.633 -4.093 1
1 1059 . 3 1 1 A 93 93 PRO CA C 131 62.300 64.751 -2.451 1
1 1060 . 3 1 1 A 93 93 PRO CB C 131 28.140 31.462 -3.322 1
1 1062 . 3 1 1 A 94 94 TYR H H 132 7.630 7.370 0.260 1
1 1063 . 3 1 1 A 94 94 TYR HA H 132 4.630 4.492 0.138 1
1 1068 . 3 1 1 A 94 94 TYR C C 132 172.700 174.590 -1.890 1
1 1069 . 3 1 1 A 94 94 TYR CA C 132 54.130 57.755 -3.625 1
1 1070 . 3 1 1 A 94 94 TYR CB C 132 36.500 39.525 -3.025 1
1 1071 . 3 1 1 A 94 94 TYR N N 132 114.100 117.124 -3.024 1
1 1072 . 3 1 1 A 95 95 ARG H H 133 7.250 8.554 -1.304 1
1 1073 . 3 1 1 A 95 95 ARG HA H 133 4.290 4.823 -0.533 1
1 1081 . 3 1 1 A 95 95 ARG C C 133 173.763 176.187 -2.424 1
1 1082 . 3 1 1 A 95 95 ARG CA C 133 54.740 54.818 -0.078 1
1 1083 . 3 1 1 A 95 95 ARG CB C 133 27.880 32.530 -4.650 1
1 1086 . 3 1 1 A 95 95 ARG N N 133 119.390 121.635 -2.245 1
1 1088 . 3 1 1 A 96 96 LYS H H 134 8.658 8.848 -0.190 1
1 1089 . 3 1 1 A 96 96 LYS HA H 134 4.490 3.871 0.619 1
1 1098 . 3 1 1 A 96 96 LYS C C 134 173.560 176.285 -2.725 1
1 1099 . 3 1 1 A 96 96 LYS CA C 134 52.580 56.763 -4.183 1
1 1100 . 3 1 1 A 96 96 LYS CB C 134 30.590 29.069 1.521 1
1 1104 . 3 1 1 A 96 96 LYS N N 134 125.000 122.716 2.284 1
1 1105 . 3 1 1 A 97 97 MET H H 135 8.330 8.012 0.318 1
1 1106 . 3 1 1 A 97 97 MET HA H 135 4.420 4.537 -0.117 1
1 1114 . 3 1 1 A 97 97 MET C C 135 172.970 177.221 -4.251 1
1 1115 . 3 1 1 A 97 97 MET CA C 135 52.490 57.771 -5.281 1
1 1116 . 3 1 1 A 97 97 MET CB C 135 30.530 31.860 -1.330 1
1 1118 . 3 1 1 A 97 97 MET N N 135 120.890 116.622 4.268 1
1 1119 . 3 1 1 A 98 98 ALA H H 136 8.290 7.804 0.486 1
1 1120 . 3 1 1 A 98 98 ALA HA H 136 4.180 4.415 -0.235 1
1 1124 . 3 1 1 A 98 98 ALA C C 136 173.767 178.282 -4.515 1
1 1125 . 3 1 1 A 98 98 ALA CA C 136 49.750 53.346 -3.596 1
1 1126 . 3 1 1 A 98 98 ALA CB C 136 16.350 19.771 -3.421 1
1 1127 . 3 1 1 A 98 98 ALA N N 136 126.050 121.863 4.187 1
1 1 . 4 1 1 A 3 3 VAL HA H 41 3.360 3.659 -0.299 1
1 9 . 4 1 1 A 3 3 VAL CA C 41 64.070 66.574 -2.504 1
1 10 . 4 1 1 A 3 3 VAL CB C 41 28.620 31.440 -2.820 1
1 13 . 4 1 1 A 4 4 LYS H H 42 8.223 7.964 0.259 1
1 14 . 4 1 1 A 4 4 LYS HA H 42 3.610 4.016 -0.406 1
1 21 . 4 1 1 A 4 4 LYS C C 42 175.928 179.816 -3.888 1
1 22 . 4 1 1 A 4 4 LYS CA C 42 58.640 59.693 -1.053 1
1 23 . 4 1 1 A 4 4 LYS CB C 42 28.640 32.128 -3.488 1
1 25 . 4 1 1 A 4 4 LYS N N 42 118.080 118.645 -0.565 1
1 26 . 4 1 1 A 5 5 ARG H H 43 7.920 7.956 -0.036 1
1 27 . 4 1 1 A 5 5 ARG HA H 43 4.060 4.205 -0.145 1
1 34 . 4 1 1 A 5 5 ARG C C 43 177.798 178.598 -0.800 1
1 35 . 4 1 1 A 5 5 ARG CA C 43 56.640 58.657 -2.017 1
1 36 . 4 1 1 A 5 5 ARG CB C 43 27.200 29.940 -2.740 1
1 38 . 4 1 1 A 5 5 ARG N N 43 117.720 120.540 -2.820 1
1 39 . 4 1 1 A 6 6 LEU H H 44 7.660 7.915 -0.255 1
1 40 . 4 1 1 A 6 6 LEU HA H 44 4.100 4.093 0.007 1
1 50 . 4 1 1 A 6 6 LEU C C 44 176.114 178.673 -2.559 1
1 51 . 4 1 1 A 6 6 LEU CA C 44 55.100 57.789 -2.689 1
1 52 . 4 1 1 A 6 6 LEU CB C 44 39.570 41.976 -2.406 1
1 56 . 4 1 1 A 6 6 LEU N N 44 121.040 120.785 0.255 1
1 57 . 4 1 1 A 7 7 LEU H H 45 7.520 7.880 -0.360 1
1 58 . 4 1 1 A 7 7 LEU HA H 45 4.350 4.229 0.121 1
1 68 . 4 1 1 A 7 7 LEU C C 45 172.937 178.854 -5.917 1
1 69 . 4 1 1 A 7 7 LEU CA C 45 51.480 56.519 -5.039 1
1 70 . 4 1 1 A 7 7 LEU CB C 45 40.300 41.610 -1.310 1
1 74 . 4 1 1 A 7 7 LEU N N 45 116.660 117.368 -0.708 1
1 75 . 4 1 1 A 8 8 SER H H 46 7.840 8.253 -0.413 1
1 76 . 4 1 1 A 8 8 SER HA H 46 3.960 4.411 -0.451 1
1 79 . 4 1 1 A 8 8 SER CA C 46 56.360 60.505 -4.145 1
1 80 . 4 1 1 A 8 8 SER CB C 46 58.870 63.382 -4.512 1
1 81 . 4 1 1 A 8 8 SER N N 46 113.750 113.962 -0.212 1
1 82 . 4 1 1 A 9 9 ILE H H 47 8.290 7.478 0.812 1
1 83 . 4 1 1 A 9 9 ILE HA H 47 4.230 4.597 -0.367 1
1 93 . 4 1 1 A 9 9 ILE C C 47 174.540 175.706 -1.166 1
1 94 . 4 1 1 A 9 9 ILE CA C 47 58.680 61.923 -3.243 1
1 95 . 4 1 1 A 9 9 ILE CB C 47 36.912 39.020 -2.108 1
1 99 . 4 1 1 A 9 9 ILE N N 47 119.850 115.808 4.042 1
1 100 . 4 1 1 A 10 10 THR H H 48 8.760 7.637 1.123 1
1 101 . 4 1 1 A 10 10 THR HA H 48 4.465 4.412 0.053 1
1 106 . 4 1 1 A 10 10 THR C C 48 171.266 174.104 -2.838 1
1 107 . 4 1 1 A 10 10 THR CA C 48 58.390 61.532 -3.142 1
1 108 . 4 1 1 A 10 10 THR CB C 48 66.310 68.147 -1.837 1
1 110 . 4 1 1 A 10 10 THR N N 48 117.590 114.687 2.903 1
1 111 . 4 1 1 A 11 11 ASN H H 49 7.360 8.082 -0.722 1
1 112 . 4 1 1 A 11 11 ASN HA H 49 4.909 4.789 0.120 1
1 117 . 4 1 1 A 11 11 ASN C C 49 172.506 174.693 -2.187 1
1 118 . 4 1 1 A 11 11 ASN CA C 49 49.430 53.952 -4.522 1
1 119 . 4 1 1 A 11 11 ASN CB C 49 37.420 41.200 -3.780 1
1 120 . 4 1 1 A 11 11 ASN N N 49 113.560 118.856 -5.296 1
1 122 . 4 1 1 A 12 12 ASP H H 50 8.256 8.428 -0.172 1
1 123 . 4 1 1 A 12 12 ASP HA H 50 4.650 4.672 -0.022 1
1 126 . 4 1 1 A 12 12 ASP C C 50 176.400 176.540 -0.140 1
1 127 . 4 1 1 A 12 12 ASP CA C 50 51.210 53.197 -1.987 1
1 128 . 4 1 1 A 12 12 ASP CB C 50 38.080 42.129 -4.049 1
1 129 . 4 1 1 A 12 12 ASP N N 50 117.210 120.410 -3.200 1
1 130 . 4 1 1 A 13 13 LYS H H 51 7.895 8.700 -0.805 1
1 131 . 4 1 1 A 13 13 LYS HA H 51 3.840 4.086 -0.246 1
1 140 . 4 1 1 A 13 13 LYS C C 51 174.700 178.810 -4.110 1
1 141 . 4 1 1 A 13 13 LYS CA C 51 56.320 58.420 -2.100 1
1 142 . 4 1 1 A 13 13 LYS CB C 51 29.760 31.950 -2.190 1
1 146 . 4 1 1 A 13 13 LYS N N 51 120.500 124.643 -4.143 1
1 147 . 4 1 1 A 14 14 HIS H H 52 9.000 7.788 1.212 1
1 148 . 4 1 1 A 14 14 HIS HA H 52 5.120 4.579 0.541 1
1 152 . 4 1 1 A 14 14 HIS C C 52 173.200 176.534 -3.334 1
1 153 . 4 1 1 A 14 14 HIS CA C 52 52.370 59.735 -7.365 1
1 154 . 4 1 1 A 14 14 HIS CB C 52 27.520 28.777 -1.257 1
1 155 . 4 1 1 A 14 14 HIS N N 52 116.200 117.417 -1.217 1
1 156 . 4 1 1 A 15 15 ASP H H 53 7.640 8.192 -0.552 1
1 157 . 4 1 1 A 15 15 ASP HA H 53 4.120 4.302 -0.182 1
1 160 . 4 1 1 A 15 15 ASP C C 53 176.183 178.212 -2.029 1
1 161 . 4 1 1 A 15 15 ASP CA C 53 56.060 56.946 -0.886 1
1 162 . 4 1 1 A 15 15 ASP CB C 53 36.350 40.419 -4.069 1
1 163 . 4 1 1 A 15 15 ASP N N 53 122.780 119.356 3.424 1
1 164 . 4 1 1 A 16 16 GLU H H 54 8.890 8.454 0.436 1
1 165 . 4 1 1 A 16 16 GLU HA H 54 4.020 4.154 -0.134 1
1 170 . 4 1 1 A 16 16 GLU CA C 54 57.770 59.356 -1.586 1
1 171 . 4 1 1 A 16 16 GLU CB C 54 26.330 29.184 -2.854 1
1 173 . 4 1 1 A 16 16 GLU N N 54 122.770 118.785 3.985 1
1 174 . 4 1 1 A 17 17 TYR H H 55 8.130 8.299 -0.169 1
1 175 . 4 1 1 A 17 17 TYR HA H 55 4.390 4.213 0.177 1
1 180 . 4 1 1 A 17 17 TYR C C 55 175.213 177.917 -2.704 1
1 181 . 4 1 1 A 17 17 TYR CA C 55 58.150 61.407 -3.257 1
1 182 . 4 1 1 A 17 17 TYR CB C 55 36.000 38.844 -2.844 1
1 185 . 4 1 1 A 17 17 TYR N N 55 121.000 121.412 -0.412 1
1 186 . 4 1 1 A 18 18 LEU H H 56 8.740 8.532 0.208 1
1 187 . 4 1 1 A 18 18 LEU HA H 56 3.710 3.899 -0.189 1
1 197 . 4 1 1 A 18 18 LEU C C 56 175.500 178.388 -2.888 1
1 198 . 4 1 1 A 18 18 LEU CA C 56 55.470 58.127 -2.657 1
1 199 . 4 1 1 A 18 18 LEU CB C 56 39.920 41.445 -1.525 1
1 203 . 4 1 1 A 18 18 LEU N N 56 118.100 119.806 -1.706 1
1 204 . 4 1 1 A 19 19 THR H H 57 8.420 7.887 0.533 1
1 205 . 4 1 1 A 19 19 THR HA H 57 3.820 3.958 -0.138 1
1 210 . 4 1 1 A 19 19 THR C C 57 172.234 177.197 -4.963 1
1 211 . 4 1 1 A 19 19 THR CA C 57 64.220 65.653 -1.433 1
1 212 . 4 1 1 A 19 19 THR CB C 57 66.050 68.112 -2.062 1
1 214 . 4 1 1 A 19 19 THR N N 57 114.940 110.965 3.975 1
1 215 . 4 1 1 A 20 20 GLU H H 58 7.087 7.615 -0.528 1
1 216 . 4 1 1 A 20 20 GLU HA H 58 4.320 3.894 0.426 1
1 221 . 4 1 1 A 20 20 GLU C C 58 175.554 179.315 -3.761 1
1 222 . 4 1 1 A 20 20 GLU CA C 58 55.170 59.697 -4.527 1
1 223 . 4 1 1 A 20 20 GLU CB C 58 27.920 29.346 -1.426 1
1 225 . 4 1 1 A 20 20 GLU N N 58 117.800 122.500 -4.700 1
1 226 . 4 1 1 A 21 21 MET H H 59 8.320 7.877 0.443 1
1 227 . 4 1 1 A 21 21 MET HA H 59 4.330 3.328 1.002 1
1 235 . 4 1 1 A 21 21 MET C C 59 175.330 178.397 -3.067 1
1 236 . 4 1 1 A 21 21 MET CA C 59 54.270 58.307 -4.037 1
1 237 . 4 1 1 A 21 21 MET CB C 59 30.620 31.833 -1.213 1
1 240 . 4 1 1 A 21 21 MET N N 59 116.300 119.335 -3.035 1
1 241 . 4 1 1 A 22 22 VAL H H 60 8.800 7.895 0.905 1
1 242 . 4 1 1 A 22 22 VAL HA H 60 3.630 3.486 0.144 1
1 250 . 4 1 1 A 22 22 VAL C C 60 172.042 174.550 -2.508 1
1 251 . 4 1 1 A 22 22 VAL CA C 60 66.980 67.306 -0.326 1
1 252 . 4 1 1 A 22 22 VAL CB C 60 26.120 29.256 -3.136 1
1 255 . 4 1 1 A 22 22 VAL N N 60 117.600 119.330 -1.730 1
1 256 . 4 1 1 A 23 23 PRO HA H 61 4.270 4.267 0.003 1
1 263 . 4 1 1 A 23 23 PRO C C 61 177.110 178.833 -1.723 1
1 264 . 4 1 1 A 23 23 PRO CA C 61 63.460 65.334 -1.874 1
1 265 . 4 1 1 A 23 23 PRO CB C 61 28.400 31.170 -2.770 1
1 267 . 4 1 1 A 24 24 LEU H H 62 6.700 6.930 -0.230 1
1 268 . 4 1 1 A 24 24 LEU HA H 62 4.250 3.875 0.375 1
1 278 . 4 1 1 A 24 24 LEU C C 62 177.872 179.176 -1.304 1
1 279 . 4 1 1 A 24 24 LEU CA C 62 55.130 57.371 -2.241 1
1 280 . 4 1 1 A 24 24 LEU CB C 62 39.440 41.227 -1.787 1
1 284 . 4 1 1 A 24 24 LEU N N 62 115.750 117.546 -1.796 1
1 285 . 4 1 1 A 25 25 LEU H H 63 8.190 7.647 0.543 1
1 286 . 4 1 1 A 25 25 LEU HA H 63 3.920 4.117 -0.197 1
1 296 . 4 1 1 A 25 25 LEU C C 63 176.367 178.386 -2.019 1
1 297 . 4 1 1 A 25 25 LEU CA C 63 54.950 58.090 -3.140 1
1 298 . 4 1 1 A 25 25 LEU CB C 63 41.090 41.884 -0.794 1
1 302 . 4 1 1 A 25 25 LEU N N 63 121.800 120.341 1.459 1
1 303 . 4 1 1 A 26 26 VAL H H 64 8.590 8.590 0.000 1
1 304 . 4 1 1 A 26 26 VAL HA H 64 3.480 3.526 -0.046 1
1 312 . 4 1 1 A 26 26 VAL C C 64 174.801 177.823 -3.022 1
1 313 . 4 1 1 A 26 26 VAL CA C 64 64.860 66.996 -2.136 1
1 314 . 4 1 1 A 26 26 VAL CB C 64 28.900 31.363 -2.463 1
1 317 . 4 1 1 A 26 26 VAL N N 64 120.990 119.413 1.577 1
1 318 . 4 1 1 A 27 27 GLU H H 65 8.090 8.441 -0.351 1
1 319 . 4 1 1 A 27 27 GLU HA H 65 3.970 3.947 0.023 1
1 324 . 4 1 1 A 27 27 GLU C C 65 176.169 178.714 -2.545 1
1 325 . 4 1 1 A 27 27 GLU CA C 65 56.990 59.385 -2.395 1
1 326 . 4 1 1 A 27 27 GLU CB C 65 26.540 29.332 -2.792 1
1 328 . 4 1 1 A 27 27 GLU N N 65 118.990 119.782 -0.792 1
1 329 . 4 1 1 A 28 28 PHE H H 66 8.075 8.055 0.020 1
1 330 . 4 1 1 A 28 28 PHE HA H 66 4.570 4.244 0.326 1
1 337 . 4 1 1 A 28 28 PHE C C 66 173.482 177.480 -3.998 1
1 338 . 4 1 1 A 28 28 PHE CA C 66 58.390 61.892 -3.502 1
1 339 . 4 1 1 A 28 28 PHE CB C 66 36.680 39.372 -2.692 1
1 340 . 4 1 1 A 28 28 PHE N N 66 119.000 121.330 -2.330 1
1 341 . 4 1 1 A 29 29 ALA H H 67 8.420 8.818 -0.398 1
1 342 . 4 1 1 A 29 29 ALA HA H 67 3.500 3.735 -0.235 1
1 346 . 4 1 1 A 29 29 ALA C C 67 176.624 179.608 -2.984 1
1 347 . 4 1 1 A 29 29 ALA CA C 67 52.800 54.955 -2.155 1
1 348 . 4 1 1 A 29 29 ALA CB C 67 15.290 18.114 -2.824 1
1 349 . 4 1 1 A 29 29 ALA N N 67 121.810 121.109 0.701 1
1 350 . 4 1 1 A 30 30 LYS H H 68 8.227 7.811 0.416 1
1 351 . 4 1 1 A 30 30 LYS HA H 68 4.090 4.011 0.079 1
1 360 . 4 1 1 A 30 30 LYS C C 68 177.400 179.425 -2.025 1
1 361 . 4 1 1 A 30 30 LYS CA C 68 56.700 58.901 -2.201 1
1 362 . 4 1 1 A 30 30 LYS CB C 68 31.230 31.431 -0.201 1
1 366 . 4 1 1 A 30 30 LYS N N 68 117.500 118.051 -0.551 1
1 367 . 4 1 1 A 31 31 ASP H H 69 7.820 8.104 -0.284 1
1 368 . 4 1 1 A 31 31 ASP HA H 69 4.210 4.748 -0.538 1
1 371 . 4 1 1 A 31 31 ASP C C 69 176.438 178.517 -2.079 1
1 372 . 4 1 1 A 31 31 ASP CA C 69 54.310 57.126 -2.816 1
1 373 . 4 1 1 A 31 31 ASP CB C 69 38.320 41.613 -3.293 1
1 374 . 4 1 1 A 31 31 ASP N N 69 120.370 120.067 0.303 1
1 375 . 4 1 1 A 32 32 GLU H H 70 8.840 8.200 0.640 1
1 376 . 4 1 1 A 32 32 GLU HA H 70 3.730 4.045 -0.315 1
1 381 . 4 1 1 A 32 32 GLU C C 70 176.119 177.661 -1.542 1
1 382 . 4 1 1 A 32 32 GLU CA C 70 55.270 58.915 -3.645 1
1 383 . 4 1 1 A 32 32 GLU CB C 70 26.810 29.507 -2.697 1
1 385 . 4 1 1 A 32 32 GLU N N 70 120.750 118.106 2.644 1
1 386 . 4 1 1 A 33 33 CYS H H 71 7.960 7.780 0.180 1
1 387 . 4 1 1 A 33 33 CYS HA H 71 4.070 4.464 -0.394 1
1 390 . 4 1 1 A 33 33 CYS C C 71 170.993 174.527 -3.534 1
1 391 . 4 1 1 A 33 33 CYS CA C 71 58.160 58.834 -0.674 1
1 392 . 4 1 1 A 33 33 CYS CB C 71 26.000 27.987 -1.987 1
1 393 . 4 1 1 A 33 33 CYS N N 71 111.530 116.474 -4.944 1
1 394 . 4 1 1 A 34 34 HIS H H 72 7.560 8.234 -0.674 1
1 395 . 4 1 1 A 34 34 HIS HA H 72 4.040 4.423 -0.383 1
1 398 . 4 1 1 A 34 34 HIS C C 72 170.400 174.778 -4.378 1
1 399 . 4 1 1 A 34 34 HIS CA C 72 53.230 59.137 -5.907 1
1 400 . 4 1 1 A 34 34 HIS CB C 72 23.830 27.600 -3.770 1
1 401 . 4 1 1 A 34 34 HIS N N 72 118.100 115.464 2.636 1
1 402 . 4 1 1 A 35 35 ASN H H 73 7.590 8.113 -0.523 1
1 403 . 4 1 1 A 35 35 ASN HA H 73 4.805 4.839 -0.034 1
1 408 . 4 1 1 A 35 35 ASN C C 73 170.429 175.472 -5.043 1
1 409 . 4 1 1 A 35 35 ASN CA C 73 46.130 51.289 -5.159 1
1 410 . 4 1 1 A 35 35 ASN CB C 73 39.580 38.704 0.876 1
1 411 . 4 1 1 A 35 35 ASN N N 73 112.400 118.227 -5.827 1
1 413 . 4 1 1 A 36 36 PRO HA H 74 4.120 4.053 0.067 1
1 420 . 4 1 1 A 36 36 PRO C C 74 173.450 177.161 -3.711 1
1 421 . 4 1 1 A 36 36 PRO CA C 74 59.950 63.203 -3.253 1
1 422 . 4 1 1 A 36 36 PRO CB C 74 29.200 32.051 -2.851 1
1 425 . 4 1 1 A 37 37 PHE H H 75 8.057 7.793 0.264 1
1 426 . 4 1 1 A 37 37 PHE HA H 75 4.200 4.245 -0.045 1
1 432 . 4 1 1 A 37 37 PHE C C 75 171.107 174.608 -3.501 1
1 433 . 4 1 1 A 37 37 PHE CA C 75 55.120 59.200 -4.080 1
1 434 . 4 1 1 A 37 37 PHE CB C 75 33.760 36.908 -3.148 1
1 436 . 4 1 1 A 38 38 ILE H H 76 7.610 8.086 -0.476 1
1 437 . 4 1 1 A 38 38 ILE HA H 76 4.870 4.309 0.561 1
1 447 . 4 1 1 A 38 38 ILE C C 76 174.180 175.481 -1.301 1
1 448 . 4 1 1 A 38 38 ILE CA C 76 56.300 61.272 -4.972 1
1 449 . 4 1 1 A 38 38 ILE CB C 76 38.040 38.462 -0.422 1
1 453 . 4 1 1 A 38 38 ILE N N 76 113.800 122.603 -8.803 1
1 454 . 4 1 1 A 39 39 ASP H H 77 8.830 8.842 -0.012 1
1 455 . 4 1 1 A 39 39 ASP HA H 77 4.710 4.941 -0.231 1
1 458 . 4 1 1 A 39 39 ASP C C 77 175.969 177.269 -1.300 1
1 459 . 4 1 1 A 39 39 ASP CA C 77 49.800 53.005 -3.205 1
1 460 . 4 1 1 A 39 39 ASP CB C 77 39.180 43.812 -4.632 1
1 461 . 4 1 1 A 39 39 ASP N N 77 125.380 124.686 0.694 1
1 462 . 4 1 1 A 40 40 LYS H H 78 8.370 9.036 -0.666 1
1 463 . 4 1 1 A 40 40 LYS HA H 78 4.100 4.102 -0.002 1
1 468 . 4 1 1 A 40 40 LYS C C 78 174.100 177.025 -2.925 1
1 469 . 4 1 1 A 40 40 LYS CA C 78 55.800 58.915 -3.115 1
1 470 . 4 1 1 A 40 40 LYS CB C 78 29.120 31.954 -2.834 1
1 471 . 4 1 1 A 40 40 LYS N N 78 116.800 121.466 -4.666 1
1 472 . 4 1 1 A 41 41 ASP H H 79 8.030 7.846 0.184 1
1 473 . 4 1 1 A 41 41 ASP HA H 79 4.810 4.792 0.018 1
1 476 . 4 1 1 A 41 41 ASP C C 79 173.360 176.440 -3.080 1
1 477 . 4 1 1 A 41 41 ASP CA C 79 51.650 53.898 -2.248 1
1 478 . 4 1 1 A 41 41 ASP CB C 79 39.570 41.339 -1.769 1
1 479 . 4 1 1 A 41 41 ASP N N 79 118.660 119.476 -0.816 1
1 480 . 4 1 1 A 42 42 GLY H H 80 8.090 8.365 -0.275 1
1 481 . 4 1 1 A 42 42 GLY HA2 H 80 4.230 3.932 0.298 1
1 482 . 4 1 1 A 42 42 GLY HA3 H 80 3.490 3.936 -0.446 1
1 483 . 4 1 1 A 42 42 GLY C C 80 171.399 174.450 -3.051 1
1 484 . 4 1 1 A 42 42 GLY CA C 80 42.720 46.018 -3.298 1
1 485 . 4 1 1 A 42 42 GLY N N 80 107.750 108.460 -0.710 1
1 486 . 4 1 1 A 43 43 ASN H H 81 8.470 7.981 0.489 1
1 487 . 4 1 1 A 43 43 ASN HA H 81 4.815 5.056 -0.241 1
1 492 . 4 1 1 A 43 43 ASN C C 81 172.066 174.693 -2.627 1
1 493 . 4 1 1 A 43 43 ASN CA C 81 49.580 52.125 -2.545 1
1 494 . 4 1 1 A 43 43 ASN CB C 81 36.800 40.284 -3.484 1
1 495 . 4 1 1 A 43 43 ASN N N 81 117.600 119.090 -1.490 1
1 497 . 4 1 1 A 44 44 GLU H H 82 8.730 8.696 0.034 1
1 498 . 4 1 1 A 44 44 GLU HA H 82 4.370 5.013 -0.643 1
1 503 . 4 1 1 A 44 44 GLU C C 82 173.651 175.735 -2.084 1
1 504 . 4 1 1 A 44 44 GLU CA C 82 55.170 55.603 -0.433 1
1 505 . 4 1 1 A 44 44 GLU CB C 82 27.740 31.646 -3.906 1
1 507 . 4 1 1 A 44 44 GLU N N 82 123.400 123.525 -0.125 1
1 508 . 4 1 1 A 45 45 SER H H 83 8.960 8.950 0.010 1
1 509 . 4 1 1 A 45 45 SER HA H 83 4.510 5.047 -0.537 1
1 512 . 4 1 1 A 45 45 SER C C 83 170.100 172.695 -2.595 1
1 513 . 4 1 1 A 45 45 SER CA C 83 53.800 57.489 -3.689 1
1 514 . 4 1 1 A 45 45 SER CB C 83 60.320 66.055 -5.735 1
1 515 . 4 1 1 A 45 45 SER N N 83 123.400 116.260 7.140 1
1 516 . 4 1 1 A 46 46 ILE H H 84 8.990 8.716 0.274 1
1 517 . 4 1 1 A 46 46 ILE HA H 84 3.880 4.905 -1.025 1
1 527 . 4 1 1 A 46 46 ILE C C 84 177.600 173.991 3.609 1
1 528 . 4 1 1 A 46 46 ILE CA C 84 55.490 57.027 -1.537 1
1 529 . 4 1 1 A 46 46 ILE CB C 84 34.850 41.027 -6.177 1
1 533 . 4 1 1 A 46 46 ILE N N 84 127.800 120.618 7.182 1
1 534 . 4 1 1 A 47 47 PRO HA H 85 3.840 4.586 -0.746 1
1 541 . 4 1 1 A 47 47 PRO C C 85 172.918 176.840 -3.922 1
1 542 . 4 1 1 A 47 47 PRO CA C 85 61.880 62.065 -0.185 1
1 543 . 4 1 1 A 47 47 PRO CB C 85 34.920 32.925 1.995 1
1 546 . 4 1 1 A 48 48 SER H H 86 7.780 8.627 -0.847 1
1 547 . 4 1 1 A 48 48 SER C C 86 174.554 177.154 -2.600 1
1 548 . 4 1 1 A 49 49 GLY H H 87 8.230 8.314 -0.084 1
1 549 . 4 1 1 A 49 49 GLY HA2 H 87 4.300 3.666 0.634 1
1 550 . 4 1 1 A 49 49 GLY HA3 H 87 3.950 3.695 0.255 1
1 551 . 4 1 1 A 49 49 GLY C C 87 173.507 176.076 -2.569 1
1 552 . 4 1 1 A 49 49 GLY CA C 87 44.600 47.437 -2.837 1
1 553 . 4 1 1 A 49 49 GLY N N 87 105.900 109.067 -3.167 1
1 554 . 4 1 1 A 50 50 VAL H H 88 6.855 7.984 -1.129 1
1 555 . 4 1 1 A 50 50 VAL HA H 88 3.510 3.950 -0.440 1
1 563 . 4 1 1 A 50 50 VAL C C 88 174.450 177.871 -3.421 1
1 564 . 4 1 1 A 50 50 VAL CA C 88 62.420 65.886 -3.466 1
1 565 . 4 1 1 A 50 50 VAL CB C 88 28.000 31.078 -3.078 1
1 568 . 4 1 1 A 50 50 VAL N N 88 119.950 119.575 0.375 1
1 569 . 4 1 1 A 51 51 LEU H H 89 7.360 7.663 -0.303 1
1 570 . 4 1 1 A 51 51 LEU HA H 89 3.570 4.017 -0.447 1
1 580 . 4 1 1 A 51 51 LEU C C 89 175.078 178.206 -3.128 1
1 581 . 4 1 1 A 51 51 LEU CA C 89 55.490 57.908 -2.418 1
1 582 . 4 1 1 A 51 51 LEU CB C 89 37.320 41.588 -4.268 1
1 586 . 4 1 1 A 51 51 LEU N N 89 122.100 123.993 -1.893 1
1 587 . 4 1 1 A 52 52 ILE H H 90 7.770 7.665 0.105 1
1 588 . 4 1 1 A 52 52 ILE HA H 90 3.600 3.857 -0.257 1
1 598 . 4 1 1 A 52 52 ILE C C 90 175.000 178.107 -3.107 1
1 599 . 4 1 1 A 52 52 ILE CA C 90 62.720 64.446 -1.726 1
1 600 . 4 1 1 A 52 52 ILE CB C 90 34.510 37.297 -2.787 1
1 604 . 4 1 1 A 52 52 ILE N N 90 117.460 115.881 1.579 1
1 605 . 4 1 1 A 53 53 PHE H H 91 7.400 8.071 -0.671 1
1 606 . 4 1 1 A 53 53 PHE HA H 91 3.900 4.175 -0.275 1
1 613 . 4 1 1 A 53 53 PHE C C 91 172.073 177.361 -5.288 1
1 614 . 4 1 1 A 53 53 PHE CA C 91 59.340 61.365 -2.025 1
1 615 . 4 1 1 A 53 53 PHE CB C 91 35.540 38.870 -3.330 1
1 616 . 4 1 1 A 53 53 PHE N N 91 119.280 124.456 -5.176 1
1 617 . 4 1 1 A 54 54 VAL H H 92 8.450 8.536 -0.086 1
1 618 . 4 1 1 A 54 54 VAL HA H 92 2.850 3.104 -0.254 1
1 626 . 4 1 1 A 54 54 VAL C C 92 174.300 177.918 -3.618 1
1 627 . 4 1 1 A 54 54 VAL CA C 92 63.860 66.352 -2.492 1
1 628 . 4 1 1 A 54 54 VAL CB C 92 28.570 31.400 -2.830 1
1 631 . 4 1 1 A 54 54 VAL N N 92 119.170 119.388 -0.218 1
1 632 . 4 1 1 A 55 55 ALA H H 93 8.615 8.303 0.312 1
1 633 . 4 1 1 A 55 55 ALA HA H 93 3.750 3.910 -0.160 1
1 637 . 4 1 1 A 55 55 ALA C C 93 176.294 179.723 -3.429 1
1 638 . 4 1 1 A 55 55 ALA CA C 93 52.800 55.753 -2.953 1
1 639 . 4 1 1 A 55 55 ALA CB C 93 16.050 18.600 -2.550 1
1 640 . 4 1 1 A 55 55 ALA N N 93 120.170 121.062 -0.892 1
1 641 . 4 1 1 A 56 56 LYS H H 94 8.548 7.731 0.817 1
1 642 . 4 1 1 A 56 56 LYS HA H 94 3.980 4.060 -0.080 1
1 649 . 4 1 1 A 56 56 LYS C C 94 177.600 179.523 -1.923 1
1 650 . 4 1 1 A 56 56 LYS CA C 94 55.800 59.191 -3.391 1
1 651 . 4 1 1 A 56 56 LYS CB C 94 29.500 32.249 -2.749 1
1 654 . 4 1 1 A 56 56 LYS N N 94 115.200 117.293 -2.093 1
1 655 . 4 1 1 A 57 57 ALA H H 95 8.840 8.095 0.745 1
1 656 . 4 1 1 A 57 57 ALA HA H 95 3.940 4.128 -0.188 1
1 660 . 4 1 1 A 57 57 ALA C C 95 175.754 180.054 -4.300 1
1 661 . 4 1 1 A 57 57 ALA CA C 95 52.670 55.022 -2.352 1
1 662 . 4 1 1 A 57 57 ALA CB C 95 16.070 17.660 -1.590 1
1 663 . 4 1 1 A 57 57 ALA N N 95 124.210 122.449 1.761 1
1 664 . 4 1 1 A 58 58 ALA H H 96 8.816 7.572 1.244 1
1 665 . 4 1 1 A 58 58 ALA HA H 96 4.043 4.141 -0.098 1
1 669 . 4 1 1 A 58 58 ALA C C 96 177.600 179.861 -2.261 1
1 670 . 4 1 1 A 58 58 ALA CA C 96 52.770 54.721 -1.951 1
1 671 . 4 1 1 A 58 58 ALA CB C 96 13.560 18.362 -4.802 1
1 672 . 4 1 1 A 58 58 ALA N N 96 120.500 120.313 0.187 1
1 673 . 4 1 1 A 59 59 GLN H H 97 8.490 8.357 0.133 1
1 674 . 4 1 1 A 59 59 GLN HA H 97 3.960 4.114 -0.154 1
1 681 . 4 1 1 A 59 59 GLN C C 97 175.100 178.272 -3.172 1
1 682 . 4 1 1 A 59 59 GLN CA C 97 56.370 58.044 -1.674 1
1 683 . 4 1 1 A 59 59 GLN CB C 97 26.500 27.774 -1.274 1
1 684 . 4 1 1 A 59 59 GLN N N 97 118.750 116.284 2.466 1
1 686 . 4 1 1 A 60 60 PHE H H 98 8.020 7.968 0.052 1
1 687 . 4 1 1 A 60 60 PHE HA H 98 4.120 4.231 -0.111 1
1 694 . 4 1 1 A 60 60 PHE C C 98 174.780 177.474 -2.694 1
1 695 . 4 1 1 A 60 60 PHE CA C 98 58.650 61.541 -2.891 1
1 696 . 4 1 1 A 60 60 PHE CB C 98 35.240 39.619 -4.379 1
1 697 . 4 1 1 A 60 60 PHE N N 98 122.380 121.825 0.555 1
1 698 . 4 1 1 A 61 61 TYR H H 99 7.900 8.454 -0.554 1
1 699 . 4 1 1 A 61 61 TYR HA H 99 3.900 4.223 -0.323 1
1 704 . 4 1 1 A 61 61 TYR C C 99 175.494 177.517 -2.023 1
1 705 . 4 1 1 A 61 61 TYR CA C 99 60.600 61.492 -0.892 1
1 706 . 4 1 1 A 61 61 TYR CB C 99 36.120 38.526 -2.406 1
1 707 . 4 1 1 A 61 61 TYR N N 99 118.100 119.898 -1.798 1
1 708 . 4 1 1 A 62 62 MET H H 100 8.170 8.458 -0.288 1
1 709 . 4 1 1 A 62 62 MET HA H 100 3.810 4.233 -0.423 1
1 717 . 4 1 1 A 62 62 MET C C 100 175.130 178.192 -3.062 1
1 718 . 4 1 1 A 62 62 MET CA C 100 56.270 58.265 -1.995 1
1 719 . 4 1 1 A 62 62 MET CB C 100 31.260 31.993 -0.733 1
1 722 . 4 1 1 A 62 62 MET N N 100 118.350 118.130 0.220 1
1 723 . 4 1 1 A 63 63 THR H H 101 7.720 7.934 -0.214 1
1 724 . 4 1 1 A 63 63 THR HA H 101 4.120 4.031 0.089 1
1 729 . 4 1 1 A 63 63 THR C C 101 172.265 175.185 -2.920 1
1 730 . 4 1 1 A 63 63 THR CA C 101 60.060 65.662 -5.602 1
1 731 . 4 1 1 A 63 63 THR CB C 101 66.880 68.493 -1.613 1
1 733 . 4 1 1 A 63 63 THR N N 101 110.720 114.240 -3.520 1
1 734 . 4 1 1 A 64 64 ASN H H 102 7.620 8.352 -0.732 1
1 735 . 4 1 1 A 64 64 ASN HA H 102 4.541 4.639 -0.098 1
1 740 . 4 1 1 A 64 64 ASN C C 102 172.591 175.831 -3.240 1
1 741 . 4 1 1 A 64 64 ASN CA C 102 51.480 52.209 -0.729 1
1 742 . 4 1 1 A 64 64 ASN CB C 102 36.830 37.893 -1.063 1
1 743 . 4 1 1 A 64 64 ASN N N 102 114.000 114.488 -0.488 1
1 745 . 4 1 1 A 65 65 ALA H H 103 8.060 8.134 -0.074 1
1 746 . 4 1 1 A 65 65 ALA HA H 103 4.183 4.568 -0.385 1
1 750 . 4 1 1 A 65 65 ALA C C 103 176.032 178.317 -2.285 1
1 751 . 4 1 1 A 65 65 ALA CA C 103 51.130 51.786 -0.656 1
1 752 . 4 1 1 A 65 65 ALA CB C 103 16.230 19.247 -3.017 1
1 753 . 4 1 1 A 65 65 ALA N N 103 123.910 121.636 2.274 1
1 754 . 4 1 1 A 66 66 GLY H H 104 8.220 8.228 -0.008 1
1 755 . 4 1 1 A 66 66 GLY HA2 H 104 3.883 3.899 -0.016 1
1 756 . 4 1 1 A 66 66 GLY C C 104 172.222 175.193 -2.971 1
1 757 . 4 1 1 A 66 66 GLY CA C 104 43.170 45.691 -2.521 1
1 758 . 4 1 1 A 66 66 GLY N N 104 106.420 107.780 -1.360 1
1 759 . 4 1 1 A 67 67 LEU H H 105 7.890 7.134 0.756 1
1 760 . 4 1 1 A 67 67 LEU HA H 105 4.290 4.545 -0.255 1
1 770 . 4 1 1 A 67 67 LEU C C 105 175.406 176.843 -1.437 1
1 771 . 4 1 1 A 67 67 LEU CA C 105 53.110 55.436 -2.326 1
1 772 . 4 1 1 A 67 67 LEU CB C 105 39.740 43.155 -3.415 1
1 776 . 4 1 1 A 67 67 LEU N N 105 120.570 117.111 3.459 1
1 777 . 4 1 1 A 68 68 THR H H 106 7.940 7.889 0.051 1
1 778 . 4 1 1 A 68 68 THR HA H 106 4.330 4.530 -0.200 1
1 783 . 4 1 1 A 68 68 THR C C 106 172.806 174.336 -1.530 1
1 784 . 4 1 1 A 68 68 THR CA C 106 59.700 61.074 -1.374 1
1 785 . 4 1 1 A 68 68 THR CB C 106 67.140 68.948 -1.808 1
1 787 . 4 1 1 A 68 68 THR N N 106 111.750 114.279 -2.529 1
1 788 . 4 1 1 A 69 69 GLY H H 107 8.340 7.956 0.384 1
1 789 . 4 1 1 A 69 69 GLY HA2 H 107 3.940 4.068 -0.128 1
1 790 . 4 1 1 A 69 69 GLY C C 107 171.503 172.756 -1.253 1
1 791 . 4 1 1 A 69 69 GLY CA C 107 42.990 44.320 -1.330 1
1 792 . 4 1 1 A 69 69 GLY N N 107 110.910 110.653 0.257 1
1 793 . 4 1 1 A 70 70 ARG H H 108 7.930 8.968 -1.038 1
1 794 . 4 1 1 A 70 70 ARG HA H 108 4.355 4.995 -0.640 1
1 801 . 4 1 1 A 70 70 ARG C C 108 173.543 174.460 -0.917 1
1 802 . 4 1 1 A 70 70 ARG CA C 108 53.170 54.194 -1.024 1
1 803 . 4 1 1 A 70 70 ARG CB C 108 28.470 33.902 -5.432 1
1 806 . 4 1 1 A 70 70 ARG N N 108 119.900 117.827 2.073 1
1 807 . 4 1 1 A 71 71 SER H H 109 8.400 8.703 -0.303 1
1 808 . 4 1 1 A 71 71 SER HA H 109 4.409 4.636 -0.227 1
1 811 . 4 1 1 A 71 71 SER C C 109 172.430 173.898 -1.468 1
1 812 . 4 1 1 A 71 71 SER CA C 109 55.630 57.414 -1.784 1
1 813 . 4 1 1 A 71 71 SER CB C 109 61.060 61.816 -0.756 1
1 814 . 4 1 1 A 71 71 SER N N 109 116.970 116.923 0.047 1
1 815 . 4 1 1 A 72 72 MET H H 110 8.590 8.393 0.197 1
1 816 . 4 1 1 A 72 72 MET HA H 110 4.394 4.035 0.359 1
1 822 . 4 1 1 A 72 72 MET C C 110 173.487 175.451 -1.964 1
1 823 . 4 1 1 A 72 72 MET CA C 110 53.320 57.824 -4.504 1
1 824 . 4 1 1 A 72 72 MET CB C 110 29.300 30.624 -1.324 1
1 825 . 4 1 1 A 72 72 MET N N 110 122.250 116.855 5.395 1
1 826 . 4 1 1 A 73 73 ASP H H 111 8.260 8.487 -0.227 1
1 827 . 4 1 1 A 73 73 ASP HA H 111 4.514 4.535 -0.021 1
1 830 . 4 1 1 A 73 73 ASP C C 111 173.886 176.098 -2.212 1
1 831 . 4 1 1 A 73 73 ASP CA C 111 52.150 56.658 -4.508 1
1 832 . 4 1 1 A 73 73 ASP CB C 111 38.310 40.372 -2.062 1
1 833 . 4 1 1 A 73 73 ASP N N 111 119.420 118.680 0.740 1
1 834 . 4 1 1 A 74 74 THR H H 112 7.900 8.595 -0.695 1
1 835 . 4 1 1 A 74 74 THR HA H 112 4.142 4.589 -0.447 1
1 840 . 4 1 1 A 74 74 THR C C 112 172.029 174.564 -2.535 1
1 841 . 4 1 1 A 74 74 THR CA C 112 59.640 61.668 -2.028 1
1 842 . 4 1 1 A 74 74 THR CB C 112 66.820 69.419 -2.599 1
1 844 . 4 1 1 A 74 74 THR N N 112 112.950 114.553 -1.603 1
1 845 . 4 1 1 A 75 75 VAL H H 113 7.840 8.121 -0.281 1
1 846 . 4 1 1 A 75 75 VAL HA H 113 3.950 4.394 -0.444 1
1 854 . 4 1 1 A 75 75 VAL C C 113 173.067 175.368 -2.301 1
1 855 . 4 1 1 A 75 75 VAL CA C 113 60.070 64.325 -4.255 1
1 856 . 4 1 1 A 75 75 VAL CB C 113 29.740 31.532 -1.792 1
1 859 . 4 1 1 A 75 75 VAL N N 113 121.540 122.117 -0.577 1
1 860 . 4 1 1 A 76 76 SER H H 114 8.020 8.117 -0.097 1
1 861 . 4 1 1 A 76 76 SER HA H 114 3.974 4.959 -0.985 1
1 864 . 4 1 1 A 76 76 SER C C 114 171.259 174.348 -3.089 1
1 865 . 4 1 1 A 76 76 SER CA C 114 55.100 57.553 -2.453 1
1 866 . 4 1 1 A 76 76 SER CB C 114 61.160 61.759 -0.599 1
1 867 . 4 1 1 A 76 76 SER N N 114 117.830 119.160 -1.330 1
1 868 . 4 1 1 A 77 77 TYR H H 115 7.770 7.660 0.110 1
1 869 . 4 1 1 A 77 77 TYR HA H 115 4.240 4.298 -0.058 1
1 874 . 4 1 1 A 77 77 TYR C C 115 172.865 175.711 -2.846 1
1 875 . 4 1 1 A 77 77 TYR CA C 115 55.100 60.589 -5.489 1
1 876 . 4 1 1 A 77 77 TYR CB C 115 36.110 38.026 -1.916 1
1 877 . 4 1 1 A 77 77 TYR N N 115 121.280 122.896 -1.616 1
1 878 . 4 1 1 A 78 78 ASN HA H 116 4.790 4.793 -0.003 1
1 883 . 4 1 1 A 78 78 ASN C C 116 172.080 175.444 -3.364 1
1 884 . 4 1 1 A 78 78 ASN CA C 116 48.910 51.623 -2.713 1
1 885 . 4 1 1 A 78 78 ASN CB C 116 35.500 38.216 -2.716 1
1 886 . 4 1 1 A 78 78 ASN N N 116 112.900 115.997 -3.097 1
1 887 . 4 1 1 A 79 79 PHE H H 117 7.410 7.673 -0.263 1
1 888 . 4 1 1 A 79 79 PHE HA H 117 4.440 4.128 0.312 1
1 895 . 4 1 1 A 79 79 PHE C C 117 174.370 177.155 -2.785 1
1 896 . 4 1 1 A 79 79 PHE CA C 117 56.890 60.588 -3.698 1
1 897 . 4 1 1 A 79 79 PHE CB C 117 34.540 37.909 -3.369 1
1 898 . 4 1 1 A 79 79 PHE N N 117 121.190 121.516 -0.326 1
1 899 . 4 1 1 A 80 80 ALA H H 118 8.560 7.483 1.077 1
1 900 . 4 1 1 A 80 80 ALA HA H 118 4.140 4.064 0.076 1
1 904 . 4 1 1 A 80 80 ALA C C 118 176.482 177.806 -1.324 1
1 905 . 4 1 1 A 80 80 ALA CA C 118 52.430 54.166 -1.736 1
1 906 . 4 1 1 A 80 80 ALA CB C 118 16.160 18.466 -2.306 1
1 907 . 4 1 1 A 80 80 ALA N N 118 115.100 121.477 -6.377 1
1 908 . 4 1 1 A 81 81 THR H H 119 7.330 7.863 -0.533 1
1 909 . 4 1 1 A 81 81 THR HA H 119 4.450 4.619 -0.169 1
1 914 . 4 1 1 A 81 81 THR C C 119 172.909 174.570 -1.661 1
1 915 . 4 1 1 A 81 81 THR CA C 119 59.270 61.173 -1.903 1
1 916 . 4 1 1 A 81 81 THR CB C 119 66.770 69.678 -2.908 1
1 918 . 4 1 1 A 81 81 THR N N 119 104.710 109.842 -5.132 1
1 919 . 4 1 1 A 82 82 GLU H H 120 7.890 7.992 -0.102 1
1 920 . 4 1 1 A 82 82 GLU HA H 120 4.260 3.985 0.275 1
1 924 . 4 1 1 A 82 82 GLU C C 120 177.060 175.407 1.653 1
1 925 . 4 1 1 A 82 82 GLU CA C 120 54.740 55.961 -1.221 1
1 926 . 4 1 1 A 82 82 GLU N N 120 120.760 120.296 0.464 1
1 927 . 4 1 1 A 83 83 ILE H H 121 7.630 7.139 0.491 1
1 928 . 4 1 1 A 83 83 ILE HA H 121 3.330 4.741 -1.411 1
1 938 . 4 1 1 A 83 83 ILE CA C 121 57.580 57.153 0.427 1
1 939 . 4 1 1 A 83 83 ILE CB C 121 35.770 40.242 -4.472 1
1 943 . 4 1 1 A 83 83 ILE N N 121 118.900 115.846 3.054 1
1 944 . 4 1 1 A 84 84 PRO HA H 122 4.200 4.642 -0.442 1
1 951 . 4 1 1 A 84 84 PRO CA C 122 60.510 61.780 -1.270 1
1 952 . 4 1 1 A 84 84 PRO CB C 122 27.260 32.336 -5.076 1
1 955 . 4 1 1 A 86 86 THR HA H 124 3.869 3.902 -0.033 1
1 960 . 4 1 1 A 86 86 THR C C 124 172.991 176.263 -3.272 1
1 961 . 4 1 1 A 86 86 THR CA C 124 61.980 66.873 -4.893 1
1 962 . 4 1 1 A 86 86 THR CB C 124 65.710 68.740 -3.030 1
1 964 . 4 1 1 A 87 87 ILE H H 125 7.340 8.018 -0.678 1
1 965 . 4 1 1 A 87 87 ILE HA H 125 3.920 3.743 0.177 1
1 975 . 4 1 1 A 87 87 ILE C C 125 175.375 177.951 -2.576 1
1 976 . 4 1 1 A 87 87 ILE CA C 125 61.900 64.459 -2.559 1
1 977 . 4 1 1 A 87 87 ILE CB C 125 35.690 36.998 -1.308 1
1 981 . 4 1 1 A 87 87 ILE N N 125 120.800 120.702 0.098 1
1 982 . 4 1 1 A 88 88 LEU HA H 126 4.070 3.549 0.521 1
1 992 . 4 1 1 A 88 88 LEU C C 126 177.060 178.189 -1.129 1
1 993 . 4 1 1 A 88 88 LEU CA C 126 55.950 57.833 -1.883 1
1 994 . 4 1 1 A 88 88 LEU CB C 126 39.710 41.861 -2.151 1
1 998 . 4 1 1 A 89 89 LYS H H 127 8.095 7.927 0.168 1
1 999 . 4 1 1 A 89 89 LYS HA H 127 4.030 3.892 0.138 1
1 1008 . 4 1 1 A 89 89 LYS C C 127 176.400 178.712 -2.312 1
1 1009 . 4 1 1 A 89 89 LYS CA C 127 56.010 59.039 -3.029 1
1 1010 . 4 1 1 A 89 89 LYS CB C 127 29.650 31.638 -1.988 1
1 1014 . 4 1 1 A 89 89 LYS N N 127 116.100 118.745 -2.645 1
1 1015 . 4 1 1 A 90 90 LYS H H 128 7.848 8.090 -0.242 1
1 1016 . 4 1 1 A 90 90 LYS HA H 128 4.160 4.107 0.053 1
1 1019 . 4 1 1 A 90 90 LYS C C 128 174.859 178.550 -3.691 1
1 1020 . 4 1 1 A 90 90 LYS CA C 128 54.750 57.494 -2.744 1
1 1021 . 4 1 1 A 90 90 LYS CB C 128 29.280 32.493 -3.213 1
1 1022 . 4 1 1 A 90 90 LYS N N 128 119.230 117.835 1.395 1
1 1023 . 4 1 1 A 91 91 LEU H H 129 7.640 6.888 0.752 1
1 1024 . 4 1 1 A 91 91 LEU HA H 129 4.250 3.624 0.626 1
1 1034 . 4 1 1 A 91 91 LEU CA C 129 52.280 57.731 -5.451 1
1 1035 . 4 1 1 A 91 91 LEU CB C 129 39.000 40.699 -1.699 1
1 1039 . 4 1 1 A 91 91 LEU N N 129 112.650 121.577 -8.927 1
1 1040 . 4 1 1 A 92 92 ASN H H 130 7.560 7.761 -0.201 1
1 1041 . 4 1 1 A 92 92 ASN HA H 130 4.300 4.466 -0.166 1
1 1046 . 4 1 1 A 92 92 ASN C C 130 172.034 175.309 -3.275 1
1 1047 . 4 1 1 A 92 92 ASN CA C 130 55.070 58.086 -3.016 1
1 1048 . 4 1 1 A 92 92 ASN CB C 130 32.670 37.857 -5.187 1
1 1049 . 4 1 1 A 92 92 ASN N N 130 111.100 116.766 -5.666 1
1 1051 . 4 1 1 A 93 93 PRO HA H 131 4.220 4.329 -0.109 1
1 1058 . 4 1 1 A 93 93 PRO C C 131 173.540 178.517 -4.977 1
1 1059 . 4 1 1 A 93 93 PRO CA C 131 62.300 65.169 -2.869 1
1 1060 . 4 1 1 A 93 93 PRO CB C 131 28.140 31.626 -3.486 1
1 1062 . 4 1 1 A 94 94 TYR H H 132 7.630 7.856 -0.226 1
1 1063 . 4 1 1 A 94 94 TYR HA H 132 4.630 4.148 0.482 1
1 1068 . 4 1 1 A 94 94 TYR C C 132 172.700 175.680 -2.980 1
1 1069 . 4 1 1 A 94 94 TYR CA C 132 54.130 61.371 -7.241 1
1 1070 . 4 1 1 A 94 94 TYR CB C 132 36.500 38.693 -2.193 1
1 1071 . 4 1 1 A 94 94 TYR N N 132 114.100 118.256 -4.156 1
1 1072 . 4 1 1 A 95 95 ARG H H 133 7.250 7.848 -0.598 1
1 1073 . 4 1 1 A 95 95 ARG HA H 133 4.290 4.045 0.245 1
1 1081 . 4 1 1 A 95 95 ARG C C 133 173.763 175.444 -1.681 1
1 1082 . 4 1 1 A 95 95 ARG CA C 133 54.740 57.724 -2.984 1
1 1083 . 4 1 1 A 95 95 ARG CB C 133 27.880 28.620 -0.740 1
1 1086 . 4 1 1 A 95 95 ARG N N 133 119.390 118.276 1.114 1
1 1088 . 4 1 1 A 96 96 LYS H H 134 8.658 8.233 0.425 1
1 1089 . 4 1 1 A 96 96 LYS HA H 134 4.490 4.090 0.400 1
1 1098 . 4 1 1 A 96 96 LYS C C 134 173.560 176.615 -3.055 1
1 1099 . 4 1 1 A 96 96 LYS CA C 134 52.580 56.782 -4.202 1
1 1100 . 4 1 1 A 96 96 LYS CB C 134 30.590 32.058 -1.468 1
1 1104 . 4 1 1 A 96 96 LYS N N 134 125.000 118.325 6.675 1
1 1105 . 4 1 1 A 97 97 MET H H 135 8.330 8.305 0.025 1
1 1106 . 4 1 1 A 97 97 MET HA H 135 4.420 4.291 0.129 1
1 1114 . 4 1 1 A 97 97 MET C C 135 172.970 176.169 -3.199 1
1 1115 . 4 1 1 A 97 97 MET CA C 135 52.490 57.670 -5.180 1
1 1116 . 4 1 1 A 97 97 MET CB C 135 30.530 31.382 -0.852 1
1 1118 . 4 1 1 A 97 97 MET N N 135 120.890 119.812 1.078 1
1 1119 . 4 1 1 A 98 98 ALA H H 136 8.290 8.556 -0.266 1
1 1120 . 4 1 1 A 98 98 ALA HA H 136 4.180 4.121 0.059 1
1 1124 . 4 1 1 A 98 98 ALA C C 136 173.767 175.793 -2.026 1
1 1125 . 4 1 1 A 98 98 ALA CA C 136 49.750 54.173 -4.423 1
1 1126 . 4 1 1 A 98 98 ALA CB C 136 16.350 18.020 -1.670 1
1 1127 . 4 1 1 A 98 98 ALA N N 136 126.050 119.243 6.807 1
1 1 . 5 1 1 A 3 3 VAL HA H 41 3.360 3.488 -0.128 1
1 9 . 5 1 1 A 3 3 VAL CA C 41 64.070 66.555 -2.485 1
1 10 . 5 1 1 A 3 3 VAL CB C 41 28.620 31.486 -2.866 1
1 13 . 5 1 1 A 4 4 LYS H H 42 8.223 8.170 0.053 1
1 14 . 5 1 1 A 4 4 LYS HA H 42 3.610 4.013 -0.403 1
1 21 . 5 1 1 A 4 4 LYS C C 42 175.928 178.433 -2.505 1
1 22 . 5 1 1 A 4 4 LYS CA C 42 58.640 58.780 -0.140 1
1 23 . 5 1 1 A 4 4 LYS CB C 42 28.640 31.797 -3.157 1
1 25 . 5 1 1 A 4 4 LYS N N 42 118.080 119.711 -1.631 1
1 26 . 5 1 1 A 5 5 ARG H H 43 7.920 7.916 0.004 1
1 27 . 5 1 1 A 5 5 ARG HA H 43 4.060 3.997 0.063 1
1 34 . 5 1 1 A 5 5 ARG C C 43 177.798 178.794 -0.996 1
1 35 . 5 1 1 A 5 5 ARG CA C 43 56.640 58.658 -2.018 1
1 36 . 5 1 1 A 5 5 ARG CB C 43 27.200 29.975 -2.775 1
1 38 . 5 1 1 A 5 5 ARG N N 43 117.720 118.920 -1.200 1
1 39 . 5 1 1 A 6 6 LEU H H 44 7.660 7.822 -0.162 1
1 40 . 5 1 1 A 6 6 LEU HA H 44 4.100 4.078 0.022 1
1 50 . 5 1 1 A 6 6 LEU C C 44 176.114 179.284 -3.170 1
1 51 . 5 1 1 A 6 6 LEU CA C 44 55.100 57.412 -2.312 1
1 52 . 5 1 1 A 6 6 LEU CB C 44 39.570 42.260 -2.690 1
1 56 . 5 1 1 A 6 6 LEU N N 44 121.040 119.538 1.502 1
1 57 . 5 1 1 A 7 7 LEU H H 45 7.520 7.863 -0.343 1
1 58 . 5 1 1 A 7 7 LEU HA H 45 4.350 4.178 0.172 1
1 68 . 5 1 1 A 7 7 LEU C C 45 172.937 179.268 -6.331 1
1 69 . 5 1 1 A 7 7 LEU CA C 45 51.480 56.914 -5.434 1
1 70 . 5 1 1 A 7 7 LEU CB C 45 40.300 41.607 -1.307 1
1 74 . 5 1 1 A 7 7 LEU N N 45 116.660 116.176 0.484 1
1 75 . 5 1 1 A 8 8 SER H H 46 7.840 8.423 -0.583 1
1 76 . 5 1 1 A 8 8 SER HA H 46 3.960 4.297 -0.337 1
1 79 . 5 1 1 A 8 8 SER CA C 46 56.360 60.259 -3.899 1
1 80 . 5 1 1 A 8 8 SER CB C 46 58.870 62.783 -3.913 1
1 81 . 5 1 1 A 8 8 SER N N 46 113.750 114.968 -1.218 1
1 82 . 5 1 1 A 9 9 ILE H H 47 8.290 7.384 0.906 1
1 83 . 5 1 1 A 9 9 ILE HA H 47 4.230 4.452 -0.222 1
1 93 . 5 1 1 A 9 9 ILE C C 47 174.540 175.219 -0.679 1
1 94 . 5 1 1 A 9 9 ILE CA C 47 58.680 61.964 -3.284 1
1 95 . 5 1 1 A 9 9 ILE CB C 47 36.912 38.969 -2.057 1
1 99 . 5 1 1 A 9 9 ILE N N 47 119.850 113.193 6.657 1
1 100 . 5 1 1 A 10 10 THR H H 48 8.760 8.381 0.379 1
1 101 . 5 1 1 A 10 10 THR HA H 48 4.465 4.428 0.037 1
1 106 . 5 1 1 A 10 10 THR C C 48 171.266 174.156 -2.890 1
1 107 . 5 1 1 A 10 10 THR CA C 48 58.390 60.144 -1.754 1
1 108 . 5 1 1 A 10 10 THR CB C 48 66.310 67.521 -1.211 1
1 110 . 5 1 1 A 10 10 THR N N 48 117.590 116.505 1.085 1
1 111 . 5 1 1 A 11 11 ASN H H 49 7.360 7.928 -0.568 1
1 112 . 5 1 1 A 11 11 ASN HA H 49 4.909 4.952 -0.043 1
1 117 . 5 1 1 A 11 11 ASN C C 49 172.506 174.707 -2.201 1
1 118 . 5 1 1 A 11 11 ASN CA C 49 49.430 54.198 -4.768 1
1 119 . 5 1 1 A 11 11 ASN CB C 49 37.420 41.458 -4.038 1
1 120 . 5 1 1 A 11 11 ASN N N 49 113.560 124.188 -10.628 1
1 122 . 5 1 1 A 12 12 ASP H H 50 8.256 8.067 0.189 1
1 123 . 5 1 1 A 12 12 ASP HA H 50 4.650 4.662 -0.012 1
1 126 . 5 1 1 A 12 12 ASP C C 50 176.400 176.478 -0.078 1
1 127 . 5 1 1 A 12 12 ASP CA C 50 51.210 53.133 -1.923 1
1 128 . 5 1 1 A 12 12 ASP CB C 50 38.080 42.422 -4.342 1
1 129 . 5 1 1 A 12 12 ASP N N 50 117.210 119.779 -2.569 1
1 130 . 5 1 1 A 13 13 LYS H H 51 7.895 8.607 -0.712 1
1 131 . 5 1 1 A 13 13 LYS HA H 51 3.840 4.165 -0.325 1
1 140 . 5 1 1 A 13 13 LYS C C 51 174.700 178.695 -3.995 1
1 141 . 5 1 1 A 13 13 LYS CA C 51 56.320 57.583 -1.263 1
1 142 . 5 1 1 A 13 13 LYS CB C 51 29.760 32.322 -2.562 1
1 146 . 5 1 1 A 13 13 LYS N N 51 120.500 122.376 -1.876 1
1 147 . 5 1 1 A 14 14 HIS H H 52 9.000 8.305 0.695 1
1 148 . 5 1 1 A 14 14 HIS HA H 52 5.120 4.522 0.598 1
1 152 . 5 1 1 A 14 14 HIS C C 52 173.200 177.117 -3.917 1
1 153 . 5 1 1 A 14 14 HIS CA C 52 52.370 59.004 -6.634 1
1 154 . 5 1 1 A 14 14 HIS CB C 52 27.520 28.900 -1.380 1
1 155 . 5 1 1 A 14 14 HIS N N 52 116.200 118.319 -2.119 1
1 156 . 5 1 1 A 15 15 ASP H H 53 7.640 8.426 -0.786 1
1 157 . 5 1 1 A 15 15 ASP HA H 53 4.120 4.218 -0.098 1
1 160 . 5 1 1 A 15 15 ASP C C 53 176.183 178.626 -2.443 1
1 161 . 5 1 1 A 15 15 ASP CA C 53 56.060 56.842 -0.782 1
1 162 . 5 1 1 A 15 15 ASP CB C 53 36.350 39.922 -3.572 1
1 163 . 5 1 1 A 15 15 ASP N N 53 122.780 118.584 4.196 1
1 164 . 5 1 1 A 16 16 GLU H H 54 8.890 7.672 1.218 1
1 165 . 5 1 1 A 16 16 GLU HA H 54 4.020 4.096 -0.076 1
1 170 . 5 1 1 A 16 16 GLU CA C 54 57.770 59.495 -1.725 1
1 171 . 5 1 1 A 16 16 GLU CB C 54 26.330 29.564 -3.234 1
1 173 . 5 1 1 A 16 16 GLU N N 54 122.770 120.851 1.919 1
1 174 . 5 1 1 A 17 17 TYR H H 55 8.130 8.236 -0.106 1
1 175 . 5 1 1 A 17 17 TYR HA H 55 4.390 4.133 0.257 1
1 180 . 5 1 1 A 17 17 TYR C C 55 175.213 177.495 -2.282 1
1 181 . 5 1 1 A 17 17 TYR CA C 55 58.150 61.571 -3.421 1
1 182 . 5 1 1 A 17 17 TYR CB C 55 36.000 38.891 -2.891 1
1 185 . 5 1 1 A 17 17 TYR N N 55 121.000 120.491 0.509 1
1 186 . 5 1 1 A 18 18 LEU H H 56 8.740 8.142 0.598 1
1 187 . 5 1 1 A 18 18 LEU HA H 56 3.710 4.036 -0.326 1
1 197 . 5 1 1 A 18 18 LEU C C 56 175.500 178.799 -3.299 1
1 198 . 5 1 1 A 18 18 LEU CA C 56 55.470 57.815 -2.345 1
1 199 . 5 1 1 A 18 18 LEU CB C 56 39.920 41.350 -1.430 1
1 203 . 5 1 1 A 18 18 LEU N N 56 118.100 120.539 -2.439 1
1 204 . 5 1 1 A 19 19 THR H H 57 8.420 8.109 0.311 1
1 205 . 5 1 1 A 19 19 THR HA H 57 3.820 3.937 -0.117 1
1 210 . 5 1 1 A 19 19 THR C C 57 172.234 177.410 -5.176 1
1 211 . 5 1 1 A 19 19 THR CA C 57 64.220 65.899 -1.679 1
1 212 . 5 1 1 A 19 19 THR CB C 57 66.050 68.364 -2.314 1
1 214 . 5 1 1 A 19 19 THR N N 57 114.940 111.360 3.580 1
1 215 . 5 1 1 A 20 20 GLU H H 58 7.087 7.886 -0.799 1
1 216 . 5 1 1 A 20 20 GLU HA H 58 4.320 3.999 0.321 1
1 221 . 5 1 1 A 20 20 GLU C C 58 175.554 179.350 -3.796 1
1 222 . 5 1 1 A 20 20 GLU CA C 58 55.170 59.405 -4.235 1
1 223 . 5 1 1 A 20 20 GLU CB C 58 27.920 28.959 -1.039 1
1 225 . 5 1 1 A 20 20 GLU N N 58 117.800 122.338 -4.538 1
1 226 . 5 1 1 A 21 21 MET H H 59 8.320 8.011 0.309 1
1 227 . 5 1 1 A 21 21 MET HA H 59 4.330 3.644 0.686 1
1 235 . 5 1 1 A 21 21 MET C C 59 175.330 178.821 -3.491 1
1 236 . 5 1 1 A 21 21 MET CA C 59 54.270 58.386 -4.116 1
1 237 . 5 1 1 A 21 21 MET CB C 59 30.620 31.183 -0.563 1
1 240 . 5 1 1 A 21 21 MET N N 59 116.300 119.302 -3.002 1
1 241 . 5 1 1 A 22 22 VAL H H 60 8.800 7.613 1.187 1
1 242 . 5 1 1 A 22 22 VAL HA H 60 3.630 3.615 0.015 1
1 250 . 5 1 1 A 22 22 VAL C C 60 172.042 175.591 -3.549 1
1 251 . 5 1 1 A 22 22 VAL CA C 60 66.980 67.221 -0.241 1
1 252 . 5 1 1 A 22 22 VAL CB C 60 26.120 29.736 -3.616 1
1 255 . 5 1 1 A 22 22 VAL N N 60 117.600 119.958 -2.358 1
1 256 . 5 1 1 A 23 23 PRO HA H 61 4.270 4.390 -0.120 1
1 263 . 5 1 1 A 23 23 PRO C C 61 177.110 179.089 -1.979 1
1 264 . 5 1 1 A 23 23 PRO CA C 61 63.460 65.428 -1.968 1
1 265 . 5 1 1 A 23 23 PRO CB C 61 28.400 31.268 -2.868 1
1 267 . 5 1 1 A 24 24 LEU H H 62 6.700 7.275 -0.575 1
1 268 . 5 1 1 A 24 24 LEU HA H 62 4.250 4.055 0.195 1
1 278 . 5 1 1 A 24 24 LEU C C 62 177.872 179.599 -1.727 1
1 279 . 5 1 1 A 24 24 LEU CA C 62 55.130 57.779 -2.649 1
1 280 . 5 1 1 A 24 24 LEU CB C 62 39.440 41.756 -2.316 1
1 284 . 5 1 1 A 24 24 LEU N N 62 115.750 117.735 -1.985 1
1 285 . 5 1 1 A 25 25 LEU H H 63 8.190 7.698 0.492 1
1 286 . 5 1 1 A 25 25 LEU HA H 63 3.920 4.251 -0.331 1
1 296 . 5 1 1 A 25 25 LEU C C 63 176.367 178.561 -2.194 1
1 297 . 5 1 1 A 25 25 LEU CA C 63 54.950 57.926 -2.976 1
1 298 . 5 1 1 A 25 25 LEU CB C 63 41.090 41.881 -0.791 1
1 302 . 5 1 1 A 25 25 LEU N N 63 121.800 120.314 1.486 1
1 303 . 5 1 1 A 26 26 VAL H H 64 8.590 8.731 -0.141 1
1 304 . 5 1 1 A 26 26 VAL HA H 64 3.480 3.466 0.014 1
1 312 . 5 1 1 A 26 26 VAL C C 64 174.801 178.210 -3.409 1
1 313 . 5 1 1 A 26 26 VAL CA C 64 64.860 67.151 -2.291 1
1 314 . 5 1 1 A 26 26 VAL CB C 64 28.900 31.237 -2.337 1
1 317 . 5 1 1 A 26 26 VAL N N 64 120.990 119.319 1.671 1
1 318 . 5 1 1 A 27 27 GLU H H 65 8.090 8.175 -0.085 1
1 319 . 5 1 1 A 27 27 GLU HA H 65 3.970 3.263 0.707 1
1 324 . 5 1 1 A 27 27 GLU C C 65 176.169 178.555 -2.386 1
1 325 . 5 1 1 A 27 27 GLU CA C 65 56.990 59.062 -2.072 1
1 326 . 5 1 1 A 27 27 GLU CB C 65 26.540 29.259 -2.719 1
1 328 . 5 1 1 A 27 27 GLU N N 65 118.990 120.076 -1.086 1
1 329 . 5 1 1 A 28 28 PHE H H 66 8.075 7.950 0.125 1
1 330 . 5 1 1 A 28 28 PHE HA H 66 4.570 4.162 0.408 1
1 337 . 5 1 1 A 28 28 PHE C C 66 173.482 177.461 -3.979 1
1 338 . 5 1 1 A 28 28 PHE CA C 66 58.390 61.764 -3.374 1
1 339 . 5 1 1 A 28 28 PHE CB C 66 36.680 39.299 -2.619 1
1 340 . 5 1 1 A 28 28 PHE N N 66 119.000 121.247 -2.247 1
1 341 . 5 1 1 A 29 29 ALA H H 67 8.420 8.664 -0.244 1
1 342 . 5 1 1 A 29 29 ALA HA H 67 3.500 3.594 -0.094 1
1 346 . 5 1 1 A 29 29 ALA C C 67 176.624 179.293 -2.669 1
1 347 . 5 1 1 A 29 29 ALA CA C 67 52.800 54.798 -1.998 1
1 348 . 5 1 1 A 29 29 ALA CB C 67 15.290 18.046 -2.756 1
1 349 . 5 1 1 A 29 29 ALA N N 67 121.810 120.908 0.902 1
1 350 . 5 1 1 A 30 30 LYS H H 68 8.227 7.594 0.633 1
1 351 . 5 1 1 A 30 30 LYS HA H 68 4.090 3.856 0.234 1
1 360 . 5 1 1 A 30 30 LYS C C 68 177.400 179.077 -1.677 1
1 361 . 5 1 1 A 30 30 LYS CA C 68 56.700 58.635 -1.935 1
1 362 . 5 1 1 A 30 30 LYS CB C 68 31.230 31.364 -0.134 1
1 366 . 5 1 1 A 30 30 LYS N N 68 117.500 117.819 -0.319 1
1 367 . 5 1 1 A 31 31 ASP H H 69 7.820 7.665 0.155 1
1 368 . 5 1 1 A 31 31 ASP HA H 69 4.210 4.624 -0.414 1
1 371 . 5 1 1 A 31 31 ASP C C 69 176.438 178.422 -1.984 1
1 372 . 5 1 1 A 31 31 ASP CA C 69 54.310 56.719 -2.409 1
1 373 . 5 1 1 A 31 31 ASP CB C 69 38.320 41.346 -3.026 1
1 374 . 5 1 1 A 31 31 ASP N N 69 120.370 119.718 0.652 1
1 375 . 5 1 1 A 32 32 GLU H H 70 8.840 8.028 0.812 1
1 376 . 5 1 1 A 32 32 GLU HA H 70 3.730 3.945 -0.215 1
1 381 . 5 1 1 A 32 32 GLU C C 70 176.119 177.670 -1.551 1
1 382 . 5 1 1 A 32 32 GLU CA C 70 55.270 58.986 -3.716 1
1 383 . 5 1 1 A 32 32 GLU CB C 70 26.810 29.360 -2.550 1
1 385 . 5 1 1 A 32 32 GLU N N 70 120.750 118.418 2.332 1
1 386 . 5 1 1 A 33 33 CYS H H 71 7.960 8.171 -0.211 1
1 387 . 5 1 1 A 33 33 CYS HA H 71 4.070 4.676 -0.606 1
1 390 . 5 1 1 A 33 33 CYS C C 71 170.993 173.819 -2.826 1
1 391 . 5 1 1 A 33 33 CYS CA C 71 58.160 58.768 -0.608 1
1 392 . 5 1 1 A 33 33 CYS CB C 71 26.000 28.497 -2.497 1
1 393 . 5 1 1 A 33 33 CYS N N 71 111.530 116.017 -4.487 1
1 394 . 5 1 1 A 34 34 HIS H H 72 7.560 8.005 -0.445 1
1 395 . 5 1 1 A 34 34 HIS HA H 72 4.040 4.200 -0.160 1
1 398 . 5 1 1 A 34 34 HIS C C 72 170.400 174.077 -3.677 1
1 399 . 5 1 1 A 34 34 HIS CA C 72 53.230 56.670 -3.440 1
1 400 . 5 1 1 A 34 34 HIS CB C 72 23.830 26.735 -2.905 1
1 401 . 5 1 1 A 34 34 HIS N N 72 118.100 116.521 1.579 1
1 402 . 5 1 1 A 35 35 ASN H H 73 7.590 8.151 -0.561 1
1 403 . 5 1 1 A 35 35 ASN HA H 73 4.805 5.226 -0.421 1
1 408 . 5 1 1 A 35 35 ASN C C 73 170.429 174.119 -3.690 1
1 409 . 5 1 1 A 35 35 ASN CA C 73 46.130 49.971 -3.841 1
1 410 . 5 1 1 A 35 35 ASN CB C 73 39.580 39.353 0.227 1
1 411 . 5 1 1 A 35 35 ASN N N 73 112.400 116.415 -4.015 1
1 413 . 5 1 1 A 36 36 PRO HA H 74 4.120 4.368 -0.248 1
1 420 . 5 1 1 A 36 36 PRO C C 74 173.450 176.587 -3.137 1
1 421 . 5 1 1 A 36 36 PRO CA C 74 59.950 62.437 -2.487 1
1 422 . 5 1 1 A 36 36 PRO CB C 74 29.200 29.228 -0.028 1
1 425 . 5 1 1 A 37 37 PHE H H 75 8.057 6.374 1.683 1
1 426 . 5 1 1 A 37 37 PHE HA H 75 4.200 4.663 -0.463 1
1 432 . 5 1 1 A 37 37 PHE C C 75 171.107 174.447 -3.340 1
1 433 . 5 1 1 A 37 37 PHE CA C 75 55.120 57.255 -2.135 1
1 434 . 5 1 1 A 37 37 PHE CB C 75 33.760 39.274 -5.514 1
1 436 . 5 1 1 A 38 38 ILE H H 76 7.610 7.301 0.309 1
1 437 . 5 1 1 A 38 38 ILE HA H 76 4.870 4.930 -0.060 1
1 447 . 5 1 1 A 38 38 ILE C C 76 174.180 174.283 -0.103 1
1 448 . 5 1 1 A 38 38 ILE CA C 76 56.300 59.817 -3.517 1
1 449 . 5 1 1 A 38 38 ILE CB C 76 38.040 41.732 -3.692 1
1 453 . 5 1 1 A 38 38 ILE N N 76 113.800 120.549 -6.749 1
1 454 . 5 1 1 A 39 39 ASP H H 77 8.830 9.204 -0.374 1
1 455 . 5 1 1 A 39 39 ASP HA H 77 4.710 4.955 -0.245 1
1 458 . 5 1 1 A 39 39 ASP C C 77 175.969 177.138 -1.169 1
1 459 . 5 1 1 A 39 39 ASP CA C 77 49.800 52.795 -2.995 1
1 460 . 5 1 1 A 39 39 ASP CB C 77 39.180 43.136 -3.956 1
1 461 . 5 1 1 A 39 39 ASP N N 77 125.380 124.876 0.504 1
1 462 . 5 1 1 A 40 40 LYS H H 78 8.370 8.599 -0.229 1
1 463 . 5 1 1 A 40 40 LYS HA H 78 4.100 4.155 -0.055 1
1 468 . 5 1 1 A 40 40 LYS C C 78 174.100 176.788 -2.688 1
1 469 . 5 1 1 A 40 40 LYS CA C 78 55.800 58.394 -2.594 1
1 470 . 5 1 1 A 40 40 LYS CB C 78 29.120 32.053 -2.933 1
1 471 . 5 1 1 A 40 40 LYS N N 78 116.800 122.125 -5.325 1
1 472 . 5 1 1 A 41 41 ASP H H 79 8.030 7.795 0.235 1
1 473 . 5 1 1 A 41 41 ASP HA H 79 4.810 4.763 0.047 1
1 476 . 5 1 1 A 41 41 ASP C C 79 173.360 176.768 -3.408 1
1 477 . 5 1 1 A 41 41 ASP CA C 79 51.650 53.736 -2.086 1
1 478 . 5 1 1 A 41 41 ASP CB C 79 39.570 41.617 -2.047 1
1 479 . 5 1 1 A 41 41 ASP N N 79 118.660 116.917 1.743 1
1 480 . 5 1 1 A 42 42 GLY H H 80 8.090 8.411 -0.321 1
1 481 . 5 1 1 A 42 42 GLY HA2 H 80 4.230 3.945 0.285 1
1 482 . 5 1 1 A 42 42 GLY HA3 H 80 3.490 3.950 -0.460 1
1 483 . 5 1 1 A 42 42 GLY C C 80 171.399 174.255 -2.856 1
1 484 . 5 1 1 A 42 42 GLY CA C 80 42.720 46.060 -3.340 1
1 485 . 5 1 1 A 42 42 GLY N N 80 107.750 109.607 -1.857 1
1 486 . 5 1 1 A 43 43 ASN H H 81 8.470 8.049 0.421 1
1 487 . 5 1 1 A 43 43 ASN HA H 81 4.815 5.107 -0.292 1
1 492 . 5 1 1 A 43 43 ASN C C 81 172.066 175.562 -3.496 1
1 493 . 5 1 1 A 43 43 ASN CA C 81 49.580 52.366 -2.786 1
1 494 . 5 1 1 A 43 43 ASN CB C 81 36.800 40.094 -3.294 1
1 495 . 5 1 1 A 43 43 ASN N N 81 117.600 118.627 -1.027 1
1 497 . 5 1 1 A 44 44 GLU H H 82 8.730 8.510 0.220 1
1 498 . 5 1 1 A 44 44 GLU HA H 82 4.370 4.349 0.021 1
1 503 . 5 1 1 A 44 44 GLU C C 82 173.651 175.751 -2.100 1
1 504 . 5 1 1 A 44 44 GLU CA C 82 55.170 56.763 -1.593 1
1 505 . 5 1 1 A 44 44 GLU CB C 82 27.740 30.082 -2.342 1
1 507 . 5 1 1 A 44 44 GLU N N 82 123.400 121.192 2.208 1
1 508 . 5 1 1 A 45 45 SER H H 83 8.960 8.944 0.016 1
1 509 . 5 1 1 A 45 45 SER HA H 83 4.510 5.070 -0.560 1
1 512 . 5 1 1 A 45 45 SER C C 83 170.100 172.765 -2.665 1
1 513 . 5 1 1 A 45 45 SER CA C 83 53.800 57.297 -3.497 1
1 514 . 5 1 1 A 45 45 SER CB C 83 60.320 65.754 -5.434 1
1 515 . 5 1 1 A 45 45 SER N N 83 123.400 115.810 7.590 1
1 516 . 5 1 1 A 46 46 ILE H H 84 8.990 8.750 0.240 1
1 517 . 5 1 1 A 46 46 ILE HA H 84 3.880 5.011 -1.131 1
1 527 . 5 1 1 A 46 46 ILE C C 84 177.600 173.934 3.666 1
1 528 . 5 1 1 A 46 46 ILE CA C 84 55.490 57.236 -1.746 1
1 529 . 5 1 1 A 46 46 ILE CB C 84 34.850 41.330 -6.480 1
1 533 . 5 1 1 A 46 46 ILE N N 84 127.800 120.277 7.523 1
1 534 . 5 1 1 A 47 47 PRO HA H 85 3.840 4.720 -0.880 1
1 541 . 5 1 1 A 47 47 PRO C C 85 172.918 177.590 -4.672 1
1 542 . 5 1 1 A 47 47 PRO CA C 85 61.880 62.216 -0.336 1
1 543 . 5 1 1 A 47 47 PRO CB C 85 34.920 32.986 1.934 1
1 546 . 5 1 1 A 48 48 SER H H 86 7.780 8.732 -0.952 1
1 547 . 5 1 1 A 48 48 SER C C 86 174.554 176.802 -2.248 1
1 548 . 5 1 1 A 49 49 GLY H H 87 8.230 8.360 -0.130 1
1 549 . 5 1 1 A 49 49 GLY HA2 H 87 4.300 3.730 0.570 1
1 550 . 5 1 1 A 49 49 GLY HA3 H 87 3.950 3.748 0.202 1
1 551 . 5 1 1 A 49 49 GLY C C 87 173.507 176.105 -2.598 1
1 552 . 5 1 1 A 49 49 GLY CA C 87 44.600 47.413 -2.813 1
1 553 . 5 1 1 A 49 49 GLY N N 87 105.900 109.037 -3.137 1
1 554 . 5 1 1 A 50 50 VAL H H 88 6.855 8.322 -1.467 1
1 555 . 5 1 1 A 50 50 VAL HA H 88 3.510 4.172 -0.662 1
1 563 . 5 1 1 A 50 50 VAL C C 88 174.450 177.898 -3.448 1
1 564 . 5 1 1 A 50 50 VAL CA C 88 62.420 64.220 -1.800 1
1 565 . 5 1 1 A 50 50 VAL CB C 88 28.000 31.643 -3.643 1
1 568 . 5 1 1 A 50 50 VAL N N 88 119.950 121.969 -2.019 1
1 569 . 5 1 1 A 51 51 LEU H H 89 7.360 7.880 -0.520 1
1 570 . 5 1 1 A 51 51 LEU HA H 89 3.570 4.109 -0.539 1
1 580 . 5 1 1 A 51 51 LEU C C 89 175.078 178.544 -3.466 1
1 581 . 5 1 1 A 51 51 LEU CA C 89 55.490 58.037 -2.547 1
1 582 . 5 1 1 A 51 51 LEU CB C 89 37.320 41.763 -4.443 1
1 586 . 5 1 1 A 51 51 LEU N N 89 122.100 121.350 0.750 1
1 587 . 5 1 1 A 52 52 ILE H H 90 7.770 7.624 0.146 1
1 588 . 5 1 1 A 52 52 ILE HA H 90 3.600 3.915 -0.315 1
1 598 . 5 1 1 A 52 52 ILE C C 90 175.000 177.923 -2.923 1
1 599 . 5 1 1 A 52 52 ILE CA C 90 62.720 64.664 -1.944 1
1 600 . 5 1 1 A 52 52 ILE CB C 90 34.510 37.527 -3.017 1
1 604 . 5 1 1 A 52 52 ILE N N 90 117.460 116.461 0.999 1
1 605 . 5 1 1 A 53 53 PHE H H 91 7.400 8.104 -0.704 1
1 606 . 5 1 1 A 53 53 PHE HA H 91 3.900 4.183 -0.283 1
1 613 . 5 1 1 A 53 53 PHE C C 91 172.073 177.241 -5.168 1
1 614 . 5 1 1 A 53 53 PHE CA C 91 59.340 61.624 -2.284 1
1 615 . 5 1 1 A 53 53 PHE CB C 91 35.540 39.132 -3.592 1
1 616 . 5 1 1 A 53 53 PHE N N 91 119.280 124.709 -5.429 1
1 617 . 5 1 1 A 54 54 VAL H H 92 8.450 8.544 -0.094 1
1 618 . 5 1 1 A 54 54 VAL HA H 92 2.850 3.249 -0.399 1
1 626 . 5 1 1 A 54 54 VAL C C 92 174.300 177.714 -3.414 1
1 627 . 5 1 1 A 54 54 VAL CA C 92 63.860 66.491 -2.631 1
1 628 . 5 1 1 A 54 54 VAL CB C 92 28.570 31.472 -2.902 1
1 631 . 5 1 1 A 54 54 VAL N N 92 119.170 119.203 -0.033 1
1 632 . 5 1 1 A 55 55 ALA H H 93 8.615 8.294 0.321 1
1 633 . 5 1 1 A 55 55 ALA HA H 93 3.750 3.902 -0.152 1
1 637 . 5 1 1 A 55 55 ALA C C 93 176.294 179.562 -3.268 1
1 638 . 5 1 1 A 55 55 ALA CA C 93 52.800 55.669 -2.869 1
1 639 . 5 1 1 A 55 55 ALA CB C 93 16.050 18.313 -2.263 1
1 640 . 5 1 1 A 55 55 ALA N N 93 120.170 121.226 -1.056 1
1 641 . 5 1 1 A 56 56 LYS H H 94 8.548 8.088 0.460 1
1 642 . 5 1 1 A 56 56 LYS HA H 94 3.980 4.078 -0.098 1
1 649 . 5 1 1 A 56 56 LYS C C 94 177.600 178.896 -1.296 1
1 650 . 5 1 1 A 56 56 LYS CA C 94 55.800 59.045 -3.245 1
1 651 . 5 1 1 A 56 56 LYS CB C 94 29.500 31.953 -2.453 1
1 654 . 5 1 1 A 56 56 LYS N N 94 115.200 116.352 -1.152 1
1 655 . 5 1 1 A 57 57 ALA H H 95 8.840 7.950 0.890 1
1 656 . 5 1 1 A 57 57 ALA HA H 95 3.940 3.973 -0.033 1
1 660 . 5 1 1 A 57 57 ALA C C 95 175.754 180.147 -4.393 1
1 661 . 5 1 1 A 57 57 ALA CA C 95 52.670 55.055 -2.385 1
1 662 . 5 1 1 A 57 57 ALA CB C 95 16.070 18.043 -1.973 1
1 663 . 5 1 1 A 57 57 ALA N N 95 124.210 122.183 2.027 1
1 664 . 5 1 1 A 58 58 ALA H H 96 8.816 7.562 1.254 1
1 665 . 5 1 1 A 58 58 ALA HA H 96 4.043 4.140 -0.097 1
1 669 . 5 1 1 A 58 58 ALA C C 96 177.600 179.619 -2.019 1
1 670 . 5 1 1 A 58 58 ALA CA C 96 52.770 54.700 -1.930 1
1 671 . 5 1 1 A 58 58 ALA CB C 96 13.560 18.415 -4.855 1
1 672 . 5 1 1 A 58 58 ALA N N 96 120.500 120.000 0.500 1
1 673 . 5 1 1 A 59 59 GLN H H 97 8.490 8.099 0.391 1
1 674 . 5 1 1 A 59 59 GLN HA H 97 3.960 3.984 -0.024 1
1 681 . 5 1 1 A 59 59 GLN C C 97 175.100 178.096 -2.996 1
1 682 . 5 1 1 A 59 59 GLN CA C 97 56.370 58.066 -1.696 1
1 683 . 5 1 1 A 59 59 GLN CB C 97 26.500 27.641 -1.141 1
1 684 . 5 1 1 A 59 59 GLN N N 97 118.750 116.125 2.625 1
1 686 . 5 1 1 A 60 60 PHE H H 98 8.020 7.839 0.181 1
1 687 . 5 1 1 A 60 60 PHE HA H 98 4.120 4.256 -0.136 1
1 694 . 5 1 1 A 60 60 PHE C C 98 174.780 177.089 -2.309 1
1 695 . 5 1 1 A 60 60 PHE CA C 98 58.650 61.522 -2.872 1
1 696 . 5 1 1 A 60 60 PHE CB C 98 35.240 39.365 -4.125 1
1 697 . 5 1 1 A 60 60 PHE N N 98 122.380 121.364 1.016 1
1 698 . 5 1 1 A 61 61 TYR H H 99 7.900 8.176 -0.276 1
1 699 . 5 1 1 A 61 61 TYR HA H 99 3.900 4.188 -0.288 1
1 704 . 5 1 1 A 61 61 TYR C C 99 175.494 177.339 -1.845 1
1 705 . 5 1 1 A 61 61 TYR CA C 99 60.600 61.341 -0.741 1
1 706 . 5 1 1 A 61 61 TYR CB C 99 36.120 38.508 -2.388 1
1 707 . 5 1 1 A 61 61 TYR N N 99 118.100 119.843 -1.743 1
1 708 . 5 1 1 A 62 62 MET H H 100 8.170 8.445 -0.275 1
1 709 . 5 1 1 A 62 62 MET HA H 100 3.810 4.075 -0.265 1
1 717 . 5 1 1 A 62 62 MET C C 100 175.130 177.858 -2.728 1
1 718 . 5 1 1 A 62 62 MET CA C 100 56.270 58.040 -1.770 1
1 719 . 5 1 1 A 62 62 MET CB C 100 31.260 31.957 -0.697 1
1 722 . 5 1 1 A 62 62 MET N N 100 118.350 118.077 0.273 1
1 723 . 5 1 1 A 63 63 THR H H 101 7.720 7.807 -0.087 1
1 724 . 5 1 1 A 63 63 THR HA H 101 4.120 3.915 0.205 1
1 729 . 5 1 1 A 63 63 THR C C 101 172.265 174.872 -2.607 1
1 730 . 5 1 1 A 63 63 THR CA C 101 60.060 65.422 -5.362 1
1 731 . 5 1 1 A 63 63 THR CB C 101 66.880 68.139 -1.259 1
1 733 . 5 1 1 A 63 63 THR N N 101 110.720 111.147 -0.427 1
1 734 . 5 1 1 A 64 64 ASN H H 102 7.620 7.397 0.223 1
1 735 . 5 1 1 A 64 64 ASN HA H 102 4.541 4.898 -0.357 1
1 740 . 5 1 1 A 64 64 ASN C C 102 172.591 175.368 -2.777 1
1 741 . 5 1 1 A 64 64 ASN CA C 102 51.480 51.847 -0.367 1
1 742 . 5 1 1 A 64 64 ASN CB C 102 36.830 38.658 -1.828 1
1 743 . 5 1 1 A 64 64 ASN N N 102 114.000 119.039 -5.039 1
1 745 . 5 1 1 A 65 65 ALA H H 103 8.060 7.631 0.429 1
1 746 . 5 1 1 A 65 65 ALA HA H 103 4.183 4.057 0.126 1
1 750 . 5 1 1 A 65 65 ALA C C 103 176.032 177.510 -1.478 1
1 751 . 5 1 1 A 65 65 ALA CA C 103 51.130 52.267 -1.137 1
1 752 . 5 1 1 A 65 65 ALA CB C 103 16.230 19.957 -3.727 1
1 753 . 5 1 1 A 65 65 ALA N N 103 123.910 125.559 -1.649 1
1 754 . 5 1 1 A 66 66 GLY H H 104 8.220 7.413 0.807 1
1 755 . 5 1 1 A 66 66 GLY HA2 H 104 3.883 4.189 -0.306 1
1 756 . 5 1 1 A 66 66 GLY C C 104 172.222 173.895 -1.673 1
1 757 . 5 1 1 A 66 66 GLY CA C 104 43.170 45.520 -2.350 1
1 758 . 5 1 1 A 66 66 GLY N N 104 106.420 104.797 1.623 1
1 759 . 5 1 1 A 67 67 LEU H H 105 7.890 7.996 -0.106 1
1 760 . 5 1 1 A 67 67 LEU HA H 105 4.290 4.709 -0.419 1
1 770 . 5 1 1 A 67 67 LEU C C 105 175.406 176.784 -1.378 1
1 771 . 5 1 1 A 67 67 LEU CA C 105 53.110 55.440 -2.330 1
1 772 . 5 1 1 A 67 67 LEU CB C 105 39.740 42.944 -3.204 1
1 776 . 5 1 1 A 67 67 LEU N N 105 120.570 118.250 2.320 1
1 777 . 5 1 1 A 68 68 THR H H 106 7.940 7.760 0.180 1
1 778 . 5 1 1 A 68 68 THR HA H 106 4.330 4.709 -0.379 1
1 783 . 5 1 1 A 68 68 THR C C 106 172.806 175.696 -2.890 1
1 784 . 5 1 1 A 68 68 THR CA C 106 59.700 60.536 -0.836 1
1 785 . 5 1 1 A 68 68 THR CB C 106 67.140 68.466 -1.326 1
1 787 . 5 1 1 A 68 68 THR N N 106 111.750 112.053 -0.303 1
1 788 . 5 1 1 A 69 69 GLY H H 107 8.340 8.437 -0.097 1
1 789 . 5 1 1 A 69 69 GLY HA2 H 107 3.940 3.768 0.172 1
1 790 . 5 1 1 A 69 69 GLY C C 107 171.503 174.508 -3.005 1
1 791 . 5 1 1 A 69 69 GLY CA C 107 42.990 46.625 -3.635 1
1 792 . 5 1 1 A 69 69 GLY N N 107 110.910 111.418 -0.508 1
1 793 . 5 1 1 A 70 70 ARG H H 108 7.930 7.678 0.252 1
1 794 . 5 1 1 A 70 70 ARG HA H 108 4.355 4.418 -0.063 1
1 801 . 5 1 1 A 70 70 ARG C C 108 173.543 175.725 -2.182 1
1 802 . 5 1 1 A 70 70 ARG CA C 108 53.170 56.767 -3.597 1
1 803 . 5 1 1 A 70 70 ARG CB C 108 28.470 32.110 -3.640 1
1 806 . 5 1 1 A 70 70 ARG N N 108 119.900 113.323 6.577 1
1 807 . 5 1 1 A 71 71 SER H H 109 8.400 7.907 0.493 1
1 808 . 5 1 1 A 71 71 SER HA H 109 4.409 4.544 -0.135 1
1 811 . 5 1 1 A 71 71 SER C C 109 172.430 173.570 -1.140 1
1 812 . 5 1 1 A 71 71 SER CA C 109 55.630 58.353 -2.723 1
1 813 . 5 1 1 A 71 71 SER CB C 109 61.060 64.501 -3.441 1
1 814 . 5 1 1 A 71 71 SER N N 109 116.970 116.777 0.193 1
1 815 . 5 1 1 A 72 72 MET H H 110 8.590 8.735 -0.145 1
1 816 . 5 1 1 A 72 72 MET HA H 110 4.394 4.727 -0.333 1
1 822 . 5 1 1 A 72 72 MET C C 110 173.487 174.978 -1.491 1
1 823 . 5 1 1 A 72 72 MET CA C 110 53.320 53.099 0.221 1
1 824 . 5 1 1 A 72 72 MET CB C 110 29.300 35.114 -5.814 1
1 825 . 5 1 1 A 72 72 MET N N 110 122.250 123.664 -1.414 1
1 826 . 5 1 1 A 73 73 ASP H H 111 8.260 8.518 -0.258 1
1 827 . 5 1 1 A 73 73 ASP HA H 111 4.514 5.315 -0.801 1
1 830 . 5 1 1 A 73 73 ASP C C 111 173.886 176.025 -2.139 1
1 831 . 5 1 1 A 73 73 ASP CA C 111 52.150 53.247 -1.097 1
1 832 . 5 1 1 A 73 73 ASP CB C 111 38.310 41.904 -3.594 1
1 833 . 5 1 1 A 73 73 ASP N N 111 119.420 119.985 -0.565 1
1 834 . 5 1 1 A 74 74 THR H H 112 7.900 8.585 -0.685 1
1 835 . 5 1 1 A 74 74 THR HA H 112 4.142 3.399 0.743 1
1 840 . 5 1 1 A 74 74 THR C C 112 172.029 173.627 -1.598 1
1 841 . 5 1 1 A 74 74 THR CA C 112 59.640 62.559 -2.919 1
1 842 . 5 1 1 A 74 74 THR CB C 112 66.820 68.893 -2.073 1
1 844 . 5 1 1 A 74 74 THR N N 112 112.950 115.960 -3.010 1
1 845 . 5 1 1 A 75 75 VAL H H 113 7.840 8.121 -0.281 1
1 846 . 5 1 1 A 75 75 VAL HA H 113 3.950 4.259 -0.309 1
1 854 . 5 1 1 A 75 75 VAL C C 113 173.067 175.432 -2.365 1
1 855 . 5 1 1 A 75 75 VAL CA C 113 60.070 63.220 -3.150 1
1 856 . 5 1 1 A 75 75 VAL CB C 113 29.740 33.782 -4.042 1
1 859 . 5 1 1 A 75 75 VAL N N 113 121.540 128.186 -6.646 1
1 860 . 5 1 1 A 76 76 SER H H 114 8.020 8.011 0.009 1
1 861 . 5 1 1 A 76 76 SER HA H 114 3.974 4.646 -0.672 1
1 864 . 5 1 1 A 76 76 SER C C 114 171.259 173.011 -1.752 1
1 865 . 5 1 1 A 76 76 SER CA C 114 55.100 57.372 -2.272 1
1 866 . 5 1 1 A 76 76 SER CB C 114 61.160 63.676 -2.516 1
1 867 . 5 1 1 A 76 76 SER N N 114 117.830 113.951 3.879 1
1 868 . 5 1 1 A 77 77 TYR H H 115 7.770 7.288 0.482 1
1 869 . 5 1 1 A 77 77 TYR HA H 115 4.240 4.948 -0.708 1
1 874 . 5 1 1 A 77 77 TYR C C 115 172.865 172.817 0.048 1
1 875 . 5 1 1 A 77 77 TYR CA C 115 55.100 56.525 -1.425 1
1 876 . 5 1 1 A 77 77 TYR CB C 115 36.110 40.519 -4.409 1
1 877 . 5 1 1 A 77 77 TYR N N 115 121.280 119.245 2.035 1
1 878 . 5 1 1 A 78 78 ASN HA H 116 4.790 4.941 -0.151 1
1 883 . 5 1 1 A 78 78 ASN C C 116 172.080 175.008 -2.928 1
1 884 . 5 1 1 A 78 78 ASN CA C 116 48.910 51.377 -2.467 1
1 885 . 5 1 1 A 78 78 ASN CB C 116 35.500 41.356 -5.856 1
1 886 . 5 1 1 A 78 78 ASN N N 116 112.900 117.970 -5.070 1
1 887 . 5 1 1 A 79 79 PHE H H 117 7.410 8.484 -1.074 1
1 888 . 5 1 1 A 79 79 PHE HA H 117 4.440 4.164 0.276 1
1 895 . 5 1 1 A 79 79 PHE C C 117 174.370 177.282 -2.912 1
1 896 . 5 1 1 A 79 79 PHE CA C 117 56.890 60.677 -3.787 1
1 897 . 5 1 1 A 79 79 PHE CB C 117 34.540 38.173 -3.633 1
1 898 . 5 1 1 A 79 79 PHE N N 117 121.190 121.273 -0.083 1
1 899 . 5 1 1 A 80 80 ALA H H 118 8.560 7.509 1.051 1
1 900 . 5 1 1 A 80 80 ALA HA H 118 4.140 3.212 0.928 1
1 904 . 5 1 1 A 80 80 ALA C C 118 176.482 177.067 -0.585 1
1 905 . 5 1 1 A 80 80 ALA CA C 118 52.430 53.289 -0.859 1
1 906 . 5 1 1 A 80 80 ALA CB C 118 16.160 17.685 -1.525 1
1 907 . 5 1 1 A 80 80 ALA N N 118 115.100 121.347 -6.247 1
1 908 . 5 1 1 A 81 81 THR H H 119 7.330 7.370 -0.040 1
1 909 . 5 1 1 A 81 81 THR HA H 119 4.450 4.531 -0.081 1
1 914 . 5 1 1 A 81 81 THR C C 119 172.909 173.679 -0.770 1
1 915 . 5 1 1 A 81 81 THR CA C 119 59.270 60.804 -1.534 1
1 916 . 5 1 1 A 81 81 THR CB C 119 66.770 69.891 -3.121 1
1 918 . 5 1 1 A 81 81 THR N N 119 104.710 112.155 -7.445 1
1 919 . 5 1 1 A 82 82 GLU H H 120 7.890 7.120 0.770 1
1 920 . 5 1 1 A 82 82 GLU HA H 120 4.260 4.554 -0.294 1
1 924 . 5 1 1 A 82 82 GLU C C 120 177.060 175.420 1.640 1
1 925 . 5 1 1 A 82 82 GLU CA C 120 54.740 55.305 -0.565 1
1 926 . 5 1 1 A 82 82 GLU N N 120 120.760 118.424 2.336 1
1 927 . 5 1 1 A 83 83 ILE H H 121 7.630 8.216 -0.586 1
1 928 . 5 1 1 A 83 83 ILE HA H 121 3.330 4.038 -0.708 1
1 938 . 5 1 1 A 83 83 ILE CA C 121 57.580 60.743 -3.163 1
1 939 . 5 1 1 A 83 83 ILE CB C 121 35.770 38.420 -2.650 1
1 943 . 5 1 1 A 83 83 ILE N N 121 118.900 119.972 -1.072 1
1 944 . 5 1 1 A 84 84 PRO HA H 122 4.200 4.613 -0.413 1
1 951 . 5 1 1 A 84 84 PRO CA C 122 60.510 62.562 -2.052 1
1 952 . 5 1 1 A 84 84 PRO CB C 122 27.260 31.164 -3.904 1
1 955 . 5 1 1 A 86 86 THR HA H 124 3.869 3.998 -0.129 1
1 960 . 5 1 1 A 86 86 THR C C 124 172.991 176.465 -3.474 1
1 961 . 5 1 1 A 86 86 THR CA C 124 61.980 65.965 -3.985 1
1 962 . 5 1 1 A 86 86 THR CB C 124 65.710 68.516 -2.806 1
1 964 . 5 1 1 A 87 87 ILE H H 125 7.340 7.400 -0.060 1
1 965 . 5 1 1 A 87 87 ILE HA H 125 3.920 3.833 0.087 1
1 975 . 5 1 1 A 87 87 ILE C C 125 175.375 178.478 -3.103 1
1 976 . 5 1 1 A 87 87 ILE CA C 125 61.900 64.403 -2.503 1
1 977 . 5 1 1 A 87 87 ILE CB C 125 35.690 37.023 -1.333 1
1 981 . 5 1 1 A 87 87 ILE N N 125 120.800 121.551 -0.751 1
1 982 . 5 1 1 A 88 88 LEU HA H 126 4.070 4.069 0.001 1
1 992 . 5 1 1 A 88 88 LEU C C 126 177.060 179.389 -2.329 1
1 993 . 5 1 1 A 88 88 LEU CA C 126 55.950 57.253 -1.303 1
1 994 . 5 1 1 A 88 88 LEU CB C 126 39.710 41.454 -1.744 1
1 998 . 5 1 1 A 89 89 LYS H H 127 8.095 8.225 -0.130 1
1 999 . 5 1 1 A 89 89 LYS HA H 127 4.030 4.055 -0.025 1
1 1008 . 5 1 1 A 89 89 LYS C C 127 176.400 179.967 -3.567 1
1 1009 . 5 1 1 A 89 89 LYS CA C 127 56.010 59.685 -3.675 1
1 1010 . 5 1 1 A 89 89 LYS CB C 127 29.650 32.309 -2.659 1
1 1014 . 5 1 1 A 89 89 LYS N N 127 116.100 119.469 -3.369 1
1 1015 . 5 1 1 A 90 90 LYS H H 128 7.848 7.735 0.113 1
1 1016 . 5 1 1 A 90 90 LYS HA H 128 4.160 4.164 -0.004 1
1 1019 . 5 1 1 A 90 90 LYS C C 128 174.859 179.373 -4.514 1
1 1020 . 5 1 1 A 90 90 LYS CA C 128 54.750 58.689 -3.939 1
1 1021 . 5 1 1 A 90 90 LYS CB C 128 29.280 32.208 -2.928 1
1 1022 . 5 1 1 A 90 90 LYS N N 128 119.230 120.210 -0.980 1
1 1023 . 5 1 1 A 91 91 LEU H H 129 7.640 7.453 0.187 1
1 1024 . 5 1 1 A 91 91 LEU HA H 129 4.250 2.533 1.717 1
1 1034 . 5 1 1 A 91 91 LEU CA C 129 52.280 57.013 -4.733 1
1 1035 . 5 1 1 A 91 91 LEU CB C 129 39.000 40.928 -1.928 1
1 1039 . 5 1 1 A 91 91 LEU N N 129 112.650 120.747 -8.097 1
1 1040 . 5 1 1 A 92 92 ASN H H 130 7.560 7.461 0.099 1
1 1041 . 5 1 1 A 92 92 ASN HA H 130 4.300 4.720 -0.420 1
1 1046 . 5 1 1 A 92 92 ASN C C 130 172.034 174.712 -2.678 1
1 1047 . 5 1 1 A 92 92 ASN CA C 130 55.070 57.937 -2.867 1
1 1048 . 5 1 1 A 92 92 ASN CB C 130 32.670 38.034 -5.364 1
1 1049 . 5 1 1 A 92 92 ASN N N 130 111.100 116.755 -5.655 1
1 1051 . 5 1 1 A 93 93 PRO HA H 131 4.220 4.320 -0.100 1
1 1058 . 5 1 1 A 93 93 PRO C C 131 173.540 177.771 -4.231 1
1 1059 . 5 1 1 A 93 93 PRO CA C 131 62.300 64.939 -2.639 1
1 1060 . 5 1 1 A 93 93 PRO CB C 131 28.140 31.655 -3.515 1
1 1062 . 5 1 1 A 94 94 TYR H H 132 7.630 8.045 -0.415 1
1 1063 . 5 1 1 A 94 94 TYR HA H 132 4.630 4.298 0.332 1
1 1068 . 5 1 1 A 94 94 TYR C C 132 172.700 175.533 -2.833 1
1 1069 . 5 1 1 A 94 94 TYR CA C 132 54.130 60.735 -6.605 1
1 1070 . 5 1 1 A 94 94 TYR CB C 132 36.500 37.313 -0.813 1
1 1071 . 5 1 1 A 94 94 TYR N N 132 114.100 115.977 -1.877 1
1 1072 . 5 1 1 A 95 95 ARG H H 133 7.250 5.658 1.592 1
1 1073 . 5 1 1 A 95 95 ARG HA H 133 4.290 4.222 0.068 1
1 1081 . 5 1 1 A 95 95 ARG C C 133 173.763 175.288 -1.525 1
1 1082 . 5 1 1 A 95 95 ARG CA C 133 54.740 53.921 0.819 1
1 1083 . 5 1 1 A 95 95 ARG CB C 133 27.880 32.523 -4.643 1
1 1086 . 5 1 1 A 95 95 ARG N N 133 119.390 117.995 1.395 1
1 1088 . 5 1 1 A 96 96 LYS H H 134 8.658 8.667 -0.009 1
1 1089 . 5 1 1 A 96 96 LYS HA H 134 4.490 3.970 0.520 1
1 1098 . 5 1 1 A 96 96 LYS C C 134 173.560 178.172 -4.612 1
1 1099 . 5 1 1 A 96 96 LYS CA C 134 52.580 58.666 -6.086 1
1 1100 . 5 1 1 A 96 96 LYS CB C 134 30.590 32.018 -1.428 1
1 1104 . 5 1 1 A 96 96 LYS N N 134 125.000 122.547 2.453 1
1 1105 . 5 1 1 A 97 97 MET H H 135 8.330 8.994 -0.664 1
1 1106 . 5 1 1 A 97 97 MET HA H 135 4.420 4.344 0.076 1
1 1114 . 5 1 1 A 97 97 MET C C 135 172.970 176.670 -3.700 1
1 1115 . 5 1 1 A 97 97 MET CA C 135 52.490 57.201 -4.711 1
1 1116 . 5 1 1 A 97 97 MET CB C 135 30.530 31.820 -1.290 1
1 1118 . 5 1 1 A 97 97 MET N N 135 120.890 117.274 3.616 1
1 1119 . 5 1 1 A 98 98 ALA H H 136 8.290 8.226 0.064 1
1 1120 . 5 1 1 A 98 98 ALA HA H 136 4.180 4.387 -0.207 1
1 1124 . 5 1 1 A 98 98 ALA C C 136 173.767 177.167 -3.400 1
1 1125 . 5 1 1 A 98 98 ALA CA C 136 49.750 51.227 -1.477 1
1 1126 . 5 1 1 A 98 98 ALA CB C 136 16.350 17.328 -0.978 1
1 1127 . 5 1 1 A 98 98 ALA N N 136 126.050 123.026 3.024 1
1 1 . 6 1 1 A 3 3 VAL HA H 41 3.360 3.642 -0.282 1
1 9 . 6 1 1 A 3 3 VAL CA C 41 64.070 66.806 -2.736 1
1 10 . 6 1 1 A 3 3 VAL CB C 41 28.620 31.426 -2.806 1
1 13 . 6 1 1 A 4 4 LYS H H 42 8.223 8.159 0.064 1
1 14 . 6 1 1 A 4 4 LYS HA H 42 3.610 4.043 -0.433 1
1 21 . 6 1 1 A 4 4 LYS C C 42 175.928 178.202 -2.274 1
1 22 . 6 1 1 A 4 4 LYS CA C 42 58.640 58.747 -0.107 1
1 23 . 6 1 1 A 4 4 LYS CB C 42 28.640 31.857 -3.217 1
1 25 . 6 1 1 A 4 4 LYS N N 42 118.080 119.222 -1.142 1
1 26 . 6 1 1 A 5 5 ARG H H 43 7.920 7.663 0.257 1
1 27 . 6 1 1 A 5 5 ARG HA H 43 4.060 4.110 -0.050 1
1 34 . 6 1 1 A 5 5 ARG C C 43 177.798 178.958 -1.160 1
1 35 . 6 1 1 A 5 5 ARG CA C 43 56.640 58.413 -1.773 1
1 36 . 6 1 1 A 5 5 ARG CB C 43 27.200 30.265 -3.065 1
1 38 . 6 1 1 A 5 5 ARG N N 43 117.720 119.137 -1.417 1
1 39 . 6 1 1 A 6 6 LEU H H 44 7.660 8.027 -0.367 1
1 40 . 6 1 1 A 6 6 LEU HA H 44 4.100 4.097 0.003 1
1 50 . 6 1 1 A 6 6 LEU C C 44 176.114 178.424 -2.310 1
1 51 . 6 1 1 A 6 6 LEU CA C 44 55.100 57.680 -2.580 1
1 52 . 6 1 1 A 6 6 LEU CB C 44 39.570 42.326 -2.756 1
1 56 . 6 1 1 A 6 6 LEU N N 44 121.040 119.673 1.367 1
1 57 . 6 1 1 A 7 7 LEU H H 45 7.520 7.795 -0.275 1
1 58 . 6 1 1 A 7 7 LEU HA H 45 4.350 4.517 -0.167 1
1 68 . 6 1 1 A 7 7 LEU C C 45 172.937 178.532 -5.595 1
1 69 . 6 1 1 A 7 7 LEU CA C 45 51.480 54.706 -3.226 1
1 70 . 6 1 1 A 7 7 LEU CB C 45 40.300 43.221 -2.921 1
1 74 . 6 1 1 A 7 7 LEU N N 45 116.660 112.995 3.665 1
1 75 . 6 1 1 A 8 8 SER H H 46 7.840 8.778 -0.938 1
1 76 . 6 1 1 A 8 8 SER HA H 46 3.960 4.355 -0.395 1
1 79 . 6 1 1 A 8 8 SER CA C 46 56.360 61.141 -4.781 1
1 80 . 6 1 1 A 8 8 SER CB C 46 58.870 63.309 -4.439 1
1 81 . 6 1 1 A 8 8 SER N N 46 113.750 116.749 -2.999 1
1 82 . 6 1 1 A 9 9 ILE H H 47 8.290 7.651 0.639 1
1 83 . 6 1 1 A 9 9 ILE HA H 47 4.230 4.324 -0.094 1
1 93 . 6 1 1 A 9 9 ILE C C 47 174.540 176.361 -1.821 1
1 94 . 6 1 1 A 9 9 ILE CA C 47 58.680 62.860 -4.180 1
1 95 . 6 1 1 A 9 9 ILE CB C 47 36.912 39.210 -2.298 1
1 99 . 6 1 1 A 9 9 ILE N N 47 119.850 119.107 0.743 1
1 100 . 6 1 1 A 10 10 THR H H 48 8.760 8.062 0.698 1
1 101 . 6 1 1 A 10 10 THR HA H 48 4.465 4.387 0.078 1
1 106 . 6 1 1 A 10 10 THR C C 48 171.266 174.224 -2.958 1
1 107 . 6 1 1 A 10 10 THR CA C 48 58.390 60.357 -1.967 1
1 108 . 6 1 1 A 10 10 THR CB C 48 66.310 67.486 -1.176 1
1 110 . 6 1 1 A 10 10 THR N N 48 117.590 113.460 4.130 1
1 111 . 6 1 1 A 11 11 ASN H H 49 7.360 7.913 -0.553 1
1 112 . 6 1 1 A 11 11 ASN HA H 49 4.909 4.833 0.076 1
1 117 . 6 1 1 A 11 11 ASN C C 49 172.506 174.612 -2.106 1
1 118 . 6 1 1 A 11 11 ASN CA C 49 49.430 53.956 -4.526 1
1 119 . 6 1 1 A 11 11 ASN CB C 49 37.420 41.413 -3.993 1
1 120 . 6 1 1 A 11 11 ASN N N 49 113.560 124.087 -10.527 1
1 122 . 6 1 1 A 12 12 ASP H H 50 8.256 8.075 0.181 1
1 123 . 6 1 1 A 12 12 ASP HA H 50 4.650 4.524 0.126 1
1 126 . 6 1 1 A 12 12 ASP C C 50 176.400 176.708 -0.308 1
1 127 . 6 1 1 A 12 12 ASP CA C 50 51.210 53.735 -2.525 1
1 128 . 6 1 1 A 12 12 ASP CB C 50 38.080 41.629 -3.549 1
1 129 . 6 1 1 A 12 12 ASP N N 50 117.210 119.918 -2.708 1
1 130 . 6 1 1 A 13 13 LYS H H 51 7.895 8.535 -0.640 1
1 131 . 6 1 1 A 13 13 LYS HA H 51 3.840 3.999 -0.159 1
1 140 . 6 1 1 A 13 13 LYS C C 51 174.700 179.054 -4.354 1
1 141 . 6 1 1 A 13 13 LYS CA C 51 56.320 58.156 -1.836 1
1 142 . 6 1 1 A 13 13 LYS CB C 51 29.760 31.832 -2.072 1
1 146 . 6 1 1 A 13 13 LYS N N 51 120.500 123.796 -3.296 1
1 147 . 6 1 1 A 14 14 HIS H H 52 9.000 7.974 1.026 1
1 148 . 6 1 1 A 14 14 HIS HA H 52 5.120 4.451 0.669 1
1 152 . 6 1 1 A 14 14 HIS C C 52 173.200 177.181 -3.981 1
1 153 . 6 1 1 A 14 14 HIS CA C 52 52.370 59.696 -7.326 1
1 154 . 6 1 1 A 14 14 HIS CB C 52 27.520 29.698 -2.178 1
1 155 . 6 1 1 A 14 14 HIS N N 52 116.200 118.130 -1.930 1
1 156 . 6 1 1 A 15 15 ASP H H 53 7.640 7.920 -0.280 1
1 157 . 6 1 1 A 15 15 ASP HA H 53 4.120 4.334 -0.214 1
1 160 . 6 1 1 A 15 15 ASP C C 53 176.183 177.983 -1.800 1
1 161 . 6 1 1 A 15 15 ASP CA C 53 56.060 57.436 -1.376 1
1 162 . 6 1 1 A 15 15 ASP CB C 53 36.350 41.933 -5.583 1
1 163 . 6 1 1 A 15 15 ASP N N 53 122.780 120.494 2.286 1
1 164 . 6 1 1 A 16 16 GLU H H 54 8.890 8.448 0.442 1
1 165 . 6 1 1 A 16 16 GLU HA H 54 4.020 4.116 -0.096 1
1 170 . 6 1 1 A 16 16 GLU CA C 54 57.770 59.393 -1.623 1
1 171 . 6 1 1 A 16 16 GLU CB C 54 26.330 29.189 -2.859 1
1 173 . 6 1 1 A 16 16 GLU N N 54 122.770 117.990 4.780 1
1 174 . 6 1 1 A 17 17 TYR H H 55 8.130 8.374 -0.244 1
1 175 . 6 1 1 A 17 17 TYR HA H 55 4.390 4.219 0.171 1
1 180 . 6 1 1 A 17 17 TYR C C 55 175.213 177.402 -2.189 1
1 181 . 6 1 1 A 17 17 TYR CA C 55 58.150 61.500 -3.350 1
1 182 . 6 1 1 A 17 17 TYR CB C 55 36.000 38.469 -2.469 1
1 185 . 6 1 1 A 17 17 TYR N N 55 121.000 121.887 -0.887 1
1 186 . 6 1 1 A 18 18 LEU H H 56 8.740 8.482 0.258 1
1 187 . 6 1 1 A 18 18 LEU HA H 56 3.710 3.933 -0.223 1
1 197 . 6 1 1 A 18 18 LEU C C 56 175.500 178.575 -3.075 1
1 198 . 6 1 1 A 18 18 LEU CA C 56 55.470 58.058 -2.588 1
1 199 . 6 1 1 A 18 18 LEU CB C 56 39.920 41.742 -1.822 1
1 203 . 6 1 1 A 18 18 LEU N N 56 118.100 121.026 -2.926 1
1 204 . 6 1 1 A 19 19 THR H H 57 8.420 8.459 -0.039 1
1 205 . 6 1 1 A 19 19 THR HA H 57 3.820 3.901 -0.081 1
1 210 . 6 1 1 A 19 19 THR C C 57 172.234 177.362 -5.128 1
1 211 . 6 1 1 A 19 19 THR CA C 57 64.220 65.798 -1.578 1
1 212 . 6 1 1 A 19 19 THR CB C 57 66.050 68.296 -2.246 1
1 214 . 6 1 1 A 19 19 THR N N 57 114.940 112.861 2.079 1
1 215 . 6 1 1 A 20 20 GLU H H 58 7.087 7.801 -0.714 1
1 216 . 6 1 1 A 20 20 GLU HA H 58 4.320 3.914 0.406 1
1 221 . 6 1 1 A 20 20 GLU C C 58 175.554 179.211 -3.657 1
1 222 . 6 1 1 A 20 20 GLU CA C 58 55.170 59.594 -4.424 1
1 223 . 6 1 1 A 20 20 GLU CB C 58 27.920 29.101 -1.181 1
1 225 . 6 1 1 A 20 20 GLU N N 58 117.800 122.261 -4.461 1
1 226 . 6 1 1 A 21 21 MET H H 59 8.320 7.954 0.366 1
1 227 . 6 1 1 A 21 21 MET HA H 59 4.330 3.159 1.171 1
1 235 . 6 1 1 A 21 21 MET C C 59 175.330 178.310 -2.980 1
1 236 . 6 1 1 A 21 21 MET CA C 59 54.270 58.087 -3.817 1
1 237 . 6 1 1 A 21 21 MET CB C 59 30.620 32.034 -1.414 1
1 240 . 6 1 1 A 21 21 MET N N 59 116.300 119.406 -3.106 1
1 241 . 6 1 1 A 22 22 VAL H H 60 8.800 7.819 0.981 1
1 242 . 6 1 1 A 22 22 VAL HA H 60 3.630 3.455 0.175 1
1 250 . 6 1 1 A 22 22 VAL C C 60 172.042 174.638 -2.596 1
1 251 . 6 1 1 A 22 22 VAL CA C 60 66.980 67.295 -0.315 1
1 252 . 6 1 1 A 22 22 VAL CB C 60 26.120 29.231 -3.111 1
1 255 . 6 1 1 A 22 22 VAL N N 60 117.600 119.298 -1.698 1
1 256 . 6 1 1 A 23 23 PRO HA H 61 4.270 4.294 -0.024 1
1 263 . 6 1 1 A 23 23 PRO C C 61 177.110 178.884 -1.774 1
1 264 . 6 1 1 A 23 23 PRO CA C 61 63.460 65.361 -1.901 1
1 265 . 6 1 1 A 23 23 PRO CB C 61 28.400 31.189 -2.789 1
1 267 . 6 1 1 A 24 24 LEU H H 62 6.700 6.949 -0.249 1
1 268 . 6 1 1 A 24 24 LEU HA H 62 4.250 3.921 0.329 1
1 278 . 6 1 1 A 24 24 LEU C C 62 177.872 179.132 -1.260 1
1 279 . 6 1 1 A 24 24 LEU CA C 62 55.130 57.508 -2.378 1
1 280 . 6 1 1 A 24 24 LEU CB C 62 39.440 41.451 -2.011 1
1 284 . 6 1 1 A 24 24 LEU N N 62 115.750 117.568 -1.818 1
1 285 . 6 1 1 A 25 25 LEU H H 63 8.190 7.656 0.534 1
1 286 . 6 1 1 A 25 25 LEU HA H 63 3.920 4.032 -0.112 1
1 296 . 6 1 1 A 25 25 LEU C C 63 176.367 178.564 -2.197 1
1 297 . 6 1 1 A 25 25 LEU CA C 63 54.950 58.008 -3.058 1
1 298 . 6 1 1 A 25 25 LEU CB C 63 41.090 41.759 -0.669 1
1 302 . 6 1 1 A 25 25 LEU N N 63 121.800 120.114 1.686 1
1 303 . 6 1 1 A 26 26 VAL H H 64 8.590 8.693 -0.103 1
1 304 . 6 1 1 A 26 26 VAL HA H 64 3.480 3.552 -0.072 1
1 312 . 6 1 1 A 26 26 VAL C C 64 174.801 178.332 -3.531 1
1 313 . 6 1 1 A 26 26 VAL CA C 64 64.860 67.190 -2.330 1
1 314 . 6 1 1 A 26 26 VAL CB C 64 28.900 31.278 -2.378 1
1 317 . 6 1 1 A 26 26 VAL N N 64 120.990 119.216 1.774 1
1 318 . 6 1 1 A 27 27 GLU H H 65 8.090 8.221 -0.131 1
1 319 . 6 1 1 A 27 27 GLU HA H 65 3.970 4.255 -0.285 1
1 324 . 6 1 1 A 27 27 GLU C C 65 176.169 178.936 -2.767 1
1 325 . 6 1 1 A 27 27 GLU CA C 65 56.990 59.374 -2.384 1
1 326 . 6 1 1 A 27 27 GLU CB C 65 26.540 29.298 -2.758 1
1 328 . 6 1 1 A 27 27 GLU N N 65 118.990 120.148 -1.158 1
1 329 . 6 1 1 A 28 28 PHE H H 66 8.075 8.013 0.062 1
1 330 . 6 1 1 A 28 28 PHE HA H 66 4.570 4.309 0.261 1
1 337 . 6 1 1 A 28 28 PHE C C 66 173.482 177.626 -4.144 1
1 338 . 6 1 1 A 28 28 PHE CA C 66 58.390 61.681 -3.291 1
1 339 . 6 1 1 A 28 28 PHE CB C 66 36.680 39.412 -2.732 1
1 340 . 6 1 1 A 28 28 PHE N N 66 119.000 121.153 -2.153 1
1 341 . 6 1 1 A 29 29 ALA H H 67 8.420 8.811 -0.391 1
1 342 . 6 1 1 A 29 29 ALA HA H 67 3.500 3.779 -0.279 1
1 346 . 6 1 1 A 29 29 ALA C C 67 176.624 180.120 -3.496 1
1 347 . 6 1 1 A 29 29 ALA CA C 67 52.800 54.903 -2.103 1
1 348 . 6 1 1 A 29 29 ALA CB C 67 15.290 18.155 -2.865 1
1 349 . 6 1 1 A 29 29 ALA N N 67 121.810 121.102 0.708 1
1 350 . 6 1 1 A 30 30 LYS H H 68 8.227 8.080 0.147 1
1 351 . 6 1 1 A 30 30 LYS HA H 68 4.090 4.011 0.079 1
1 360 . 6 1 1 A 30 30 LYS C C 68 177.400 179.026 -1.626 1
1 361 . 6 1 1 A 30 30 LYS CA C 68 56.700 59.089 -2.389 1
1 362 . 6 1 1 A 30 30 LYS CB C 68 31.230 31.490 -0.260 1
1 366 . 6 1 1 A 30 30 LYS N N 68 117.500 118.022 -0.522 1
1 367 . 6 1 1 A 31 31 ASP H H 69 7.820 8.228 -0.408 1
1 368 . 6 1 1 A 31 31 ASP HA H 69 4.210 4.656 -0.446 1
1 371 . 6 1 1 A 31 31 ASP C C 69 176.438 178.550 -2.112 1
1 372 . 6 1 1 A 31 31 ASP CA C 69 54.310 57.053 -2.743 1
1 373 . 6 1 1 A 31 31 ASP CB C 69 38.320 41.553 -3.233 1
1 374 . 6 1 1 A 31 31 ASP N N 69 120.370 120.078 0.292 1
1 375 . 6 1 1 A 32 32 GLU H H 70 8.840 8.157 0.683 1
1 376 . 6 1 1 A 32 32 GLU HA H 70 3.730 3.979 -0.249 1
1 381 . 6 1 1 A 32 32 GLU C C 70 176.119 177.409 -1.290 1
1 382 . 6 1 1 A 32 32 GLU CA C 70 55.270 58.907 -3.637 1
1 383 . 6 1 1 A 32 32 GLU CB C 70 26.810 29.493 -2.683 1
1 385 . 6 1 1 A 32 32 GLU N N 70 120.750 118.062 2.688 1
1 386 . 6 1 1 A 33 33 CYS H H 71 7.960 7.708 0.252 1
1 387 . 6 1 1 A 33 33 CYS HA H 71 4.070 4.380 -0.310 1
1 390 . 6 1 1 A 33 33 CYS C C 71 170.993 174.565 -3.572 1
1 391 . 6 1 1 A 33 33 CYS CA C 71 58.160 58.835 -0.675 1
1 392 . 6 1 1 A 33 33 CYS CB C 71 26.000 27.786 -1.786 1
1 393 . 6 1 1 A 33 33 CYS N N 71 111.530 116.049 -4.519 1
1 394 . 6 1 1 A 34 34 HIS H H 72 7.560 7.980 -0.420 1
1 395 . 6 1 1 A 34 34 HIS HA H 72 4.040 4.304 -0.264 1
1 398 . 6 1 1 A 34 34 HIS C C 72 170.400 174.668 -4.268 1
1 399 . 6 1 1 A 34 34 HIS CA C 72 53.230 59.056 -5.826 1
1 400 . 6 1 1 A 34 34 HIS CB C 72 23.830 27.510 -3.680 1
1 401 . 6 1 1 A 34 34 HIS N N 72 118.100 115.641 2.459 1
1 402 . 6 1 1 A 35 35 ASN H H 73 7.590 8.071 -0.481 1
1 403 . 6 1 1 A 35 35 ASN HA H 73 4.805 4.879 -0.074 1
1 408 . 6 1 1 A 35 35 ASN C C 73 170.429 175.491 -5.062 1
1 409 . 6 1 1 A 35 35 ASN CA C 73 46.130 51.272 -5.142 1
1 410 . 6 1 1 A 35 35 ASN CB C 73 39.580 38.775 0.805 1
1 411 . 6 1 1 A 35 35 ASN N N 73 112.400 118.032 -5.632 1
1 413 . 6 1 1 A 36 36 PRO HA H 74 4.120 4.102 0.018 1
1 420 . 6 1 1 A 36 36 PRO C C 74 173.450 176.660 -3.210 1
1 421 . 6 1 1 A 36 36 PRO CA C 74 59.950 63.008 -3.058 1
1 422 . 6 1 1 A 36 36 PRO CB C 74 29.200 32.452 -3.252 1
1 425 . 6 1 1 A 37 37 PHE H H 75 8.057 7.739 0.318 1
1 426 . 6 1 1 A 37 37 PHE HA H 75 4.200 4.234 -0.034 1
1 432 . 6 1 1 A 37 37 PHE C C 75 171.107 174.719 -3.612 1
1 433 . 6 1 1 A 37 37 PHE CA C 75 55.120 58.657 -3.537 1
1 434 . 6 1 1 A 37 37 PHE CB C 75 33.760 36.405 -2.645 1
1 436 . 6 1 1 A 38 38 ILE H H 76 7.610 7.727 -0.117 1
1 437 . 6 1 1 A 38 38 ILE HA H 76 4.870 4.584 0.286 1
1 447 . 6 1 1 A 38 38 ILE C C 76 174.180 175.387 -1.207 1
1 448 . 6 1 1 A 38 38 ILE CA C 76 56.300 59.786 -3.486 1
1 449 . 6 1 1 A 38 38 ILE CB C 76 38.040 39.697 -1.657 1
1 453 . 6 1 1 A 38 38 ILE N N 76 113.800 119.735 -5.935 1
1 454 . 6 1 1 A 39 39 ASP H H 77 8.830 9.204 -0.374 1
1 455 . 6 1 1 A 39 39 ASP HA H 77 4.710 4.927 -0.217 1
1 458 . 6 1 1 A 39 39 ASP C C 77 175.969 177.766 -1.797 1
1 459 . 6 1 1 A 39 39 ASP CA C 77 49.800 53.061 -3.261 1
1 460 . 6 1 1 A 39 39 ASP CB C 77 39.180 42.716 -3.536 1
1 461 . 6 1 1 A 39 39 ASP N N 77 125.380 124.707 0.673 1
1 462 . 6 1 1 A 40 40 LYS H H 78 8.370 8.840 -0.470 1
1 463 . 6 1 1 A 40 40 LYS HA H 78 4.100 4.018 0.082 1
1 468 . 6 1 1 A 40 40 LYS C C 78 174.100 177.529 -3.429 1
1 469 . 6 1 1 A 40 40 LYS CA C 78 55.800 58.310 -2.510 1
1 470 . 6 1 1 A 40 40 LYS CB C 78 29.120 32.578 -3.458 1
1 471 . 6 1 1 A 40 40 LYS N N 78 116.800 122.826 -6.026 1
1 472 . 6 1 1 A 41 41 ASP H H 79 8.030 7.926 0.104 1
1 473 . 6 1 1 A 41 41 ASP HA H 79 4.810 4.709 0.101 1
1 476 . 6 1 1 A 41 41 ASP C C 79 173.360 176.772 -3.412 1
1 477 . 6 1 1 A 41 41 ASP CA C 79 51.650 53.873 -2.223 1
1 478 . 6 1 1 A 41 41 ASP CB C 79 39.570 41.562 -1.992 1
1 479 . 6 1 1 A 41 41 ASP N N 79 118.660 116.319 2.341 1
1 480 . 6 1 1 A 42 42 GLY H H 80 8.090 8.089 0.001 1
1 481 . 6 1 1 A 42 42 GLY HA2 H 80 4.230 3.925 0.305 1
1 482 . 6 1 1 A 42 42 GLY HA3 H 80 3.490 3.928 -0.438 1
1 483 . 6 1 1 A 42 42 GLY C C 80 171.399 174.675 -3.276 1
1 484 . 6 1 1 A 42 42 GLY CA C 80 42.720 45.850 -3.130 1
1 485 . 6 1 1 A 42 42 GLY N N 80 107.750 109.139 -1.389 1
1 486 . 6 1 1 A 43 43 ASN H H 81 8.470 8.068 0.402 1
1 487 . 6 1 1 A 43 43 ASN HA H 81 4.815 4.961 -0.146 1
1 492 . 6 1 1 A 43 43 ASN C C 81 172.066 175.587 -3.521 1
1 493 . 6 1 1 A 43 43 ASN CA C 81 49.580 52.806 -3.226 1
1 494 . 6 1 1 A 43 43 ASN CB C 81 36.800 40.287 -3.487 1
1 495 . 6 1 1 A 43 43 ASN N N 81 117.600 119.212 -1.612 1
1 497 . 6 1 1 A 44 44 GLU H H 82 8.730 8.452 0.278 1
1 498 . 6 1 1 A 44 44 GLU HA H 82 4.370 4.640 -0.270 1
1 503 . 6 1 1 A 44 44 GLU C C 82 173.651 175.555 -1.904 1
1 504 . 6 1 1 A 44 44 GLU CA C 82 55.170 56.283 -1.113 1
1 505 . 6 1 1 A 44 44 GLU CB C 82 27.740 30.124 -2.384 1
1 507 . 6 1 1 A 44 44 GLU N N 82 123.400 121.380 2.020 1
1 508 . 6 1 1 A 45 45 SER H H 83 8.960 9.179 -0.219 1
1 509 . 6 1 1 A 45 45 SER HA H 83 4.510 5.340 -0.830 1
1 512 . 6 1 1 A 45 45 SER C C 83 170.100 173.243 -3.143 1
1 513 . 6 1 1 A 45 45 SER CA C 83 53.800 56.474 -2.674 1
1 514 . 6 1 1 A 45 45 SER CB C 83 60.320 66.363 -6.043 1
1 515 . 6 1 1 A 45 45 SER N N 83 123.400 118.498 4.902 1
1 516 . 6 1 1 A 46 46 ILE H H 84 8.990 9.118 -0.128 1
1 517 . 6 1 1 A 46 46 ILE HA H 84 3.880 4.489 -0.609 1
1 527 . 6 1 1 A 46 46 ILE C C 84 177.600 174.229 3.371 1
1 528 . 6 1 1 A 46 46 ILE CA C 84 55.490 57.252 -1.762 1
1 529 . 6 1 1 A 46 46 ILE CB C 84 34.850 41.156 -6.306 1
1 533 . 6 1 1 A 46 46 ILE N N 84 127.800 124.636 3.164 1
1 534 . 6 1 1 A 47 47 PRO HA H 85 3.840 4.434 -0.594 1
1 541 . 6 1 1 A 47 47 PRO C C 85 172.918 177.503 -4.585 1
1 542 . 6 1 1 A 47 47 PRO CA C 85 61.880 61.685 0.195 1
1 543 . 6 1 1 A 47 47 PRO CB C 85 34.920 31.771 3.149 1
1 546 . 6 1 1 A 48 48 SER H H 86 7.780 8.870 -1.090 1
1 547 . 6 1 1 A 48 48 SER C C 86 174.554 177.320 -2.766 1
1 548 . 6 1 1 A 49 49 GLY H H 87 8.230 8.282 -0.052 1
1 549 . 6 1 1 A 49 49 GLY HA2 H 87 4.300 3.691 0.609 1
1 550 . 6 1 1 A 49 49 GLY HA3 H 87 3.950 3.711 0.239 1
1 551 . 6 1 1 A 49 49 GLY C C 87 173.507 175.482 -1.975 1
1 552 . 6 1 1 A 49 49 GLY CA C 87 44.600 47.401 -2.801 1
1 553 . 6 1 1 A 49 49 GLY N N 87 105.900 109.584 -3.684 1
1 554 . 6 1 1 A 50 50 VAL H H 88 6.855 8.338 -1.483 1
1 555 . 6 1 1 A 50 50 VAL HA H 88 3.510 3.788 -0.278 1
1 563 . 6 1 1 A 50 50 VAL C C 88 174.450 178.493 -4.043 1
1 564 . 6 1 1 A 50 50 VAL CA C 88 62.420 66.073 -3.653 1
1 565 . 6 1 1 A 50 50 VAL CB C 88 28.000 31.614 -3.614 1
1 568 . 6 1 1 A 50 50 VAL N N 88 119.950 122.697 -2.747 1
1 569 . 6 1 1 A 51 51 LEU H H 89 7.360 7.951 -0.591 1
1 570 . 6 1 1 A 51 51 LEU HA H 89 3.570 4.055 -0.485 1
1 580 . 6 1 1 A 51 51 LEU C C 89 175.078 178.466 -3.388 1
1 581 . 6 1 1 A 51 51 LEU CA C 89 55.490 58.074 -2.584 1
1 582 . 6 1 1 A 51 51 LEU CB C 89 37.320 41.522 -4.202 1
1 586 . 6 1 1 A 51 51 LEU N N 89 122.100 121.354 0.746 1
1 587 . 6 1 1 A 52 52 ILE H H 90 7.770 7.550 0.220 1
1 588 . 6 1 1 A 52 52 ILE HA H 90 3.600 3.836 -0.236 1
1 598 . 6 1 1 A 52 52 ILE C C 90 175.000 177.991 -2.991 1
1 599 . 6 1 1 A 52 52 ILE CA C 90 62.720 64.521 -1.801 1
1 600 . 6 1 1 A 52 52 ILE CB C 90 34.510 37.427 -2.917 1
1 604 . 6 1 1 A 52 52 ILE N N 90 117.460 116.043 1.417 1
1 605 . 6 1 1 A 53 53 PHE H H 91 7.400 8.136 -0.736 1
1 606 . 6 1 1 A 53 53 PHE HA H 91 3.900 4.225 -0.325 1
1 613 . 6 1 1 A 53 53 PHE C C 91 172.073 177.052 -4.979 1
1 614 . 6 1 1 A 53 53 PHE CA C 91 59.340 61.519 -2.179 1
1 615 . 6 1 1 A 53 53 PHE CB C 91 35.540 39.022 -3.482 1
1 616 . 6 1 1 A 53 53 PHE N N 91 119.280 124.618 -5.338 1
1 617 . 6 1 1 A 54 54 VAL H H 92 8.450 7.806 0.644 1
1 618 . 6 1 1 A 54 54 VAL HA H 92 2.850 3.458 -0.608 1
1 626 . 6 1 1 A 54 54 VAL C C 92 174.300 177.739 -3.439 1
1 627 . 6 1 1 A 54 54 VAL CA C 92 63.860 65.234 -1.374 1
1 628 . 6 1 1 A 54 54 VAL CB C 92 28.570 31.052 -2.482 1
1 631 . 6 1 1 A 54 54 VAL N N 92 119.170 118.259 0.911 1
1 632 . 6 1 1 A 55 55 ALA H H 93 8.615 7.886 0.729 1
1 633 . 6 1 1 A 55 55 ALA HA H 93 3.750 3.969 -0.219 1
1 637 . 6 1 1 A 55 55 ALA C C 93 176.294 179.608 -3.314 1
1 638 . 6 1 1 A 55 55 ALA CA C 93 52.800 55.397 -2.597 1
1 639 . 6 1 1 A 55 55 ALA CB C 93 16.050 18.323 -2.273 1
1 640 . 6 1 1 A 55 55 ALA N N 93 120.170 123.606 -3.436 1
1 641 . 6 1 1 A 56 56 LYS H H 94 8.548 7.784 0.764 1
1 642 . 6 1 1 A 56 56 LYS HA H 94 3.980 4.081 -0.101 1
1 649 . 6 1 1 A 56 56 LYS C C 94 177.600 178.878 -1.278 1
1 650 . 6 1 1 A 56 56 LYS CA C 94 55.800 59.083 -3.283 1
1 651 . 6 1 1 A 56 56 LYS CB C 94 29.500 31.922 -2.422 1
1 654 . 6 1 1 A 56 56 LYS N N 94 115.200 116.781 -1.581 1
1 655 . 6 1 1 A 57 57 ALA H H 95 8.840 7.861 0.979 1
1 656 . 6 1 1 A 57 57 ALA HA H 95 3.940 4.059 -0.119 1
1 660 . 6 1 1 A 57 57 ALA C C 95 175.754 179.870 -4.116 1
1 661 . 6 1 1 A 57 57 ALA CA C 95 52.670 54.959 -2.289 1
1 662 . 6 1 1 A 57 57 ALA CB C 95 16.070 17.719 -1.649 1
1 663 . 6 1 1 A 57 57 ALA N N 95 124.210 122.067 2.143 1
1 664 . 6 1 1 A 58 58 ALA H H 96 8.816 7.372 1.444 1
1 665 . 6 1 1 A 58 58 ALA HA H 96 4.043 4.110 -0.067 1
1 669 . 6 1 1 A 58 58 ALA C C 96 177.600 180.129 -2.529 1
1 670 . 6 1 1 A 58 58 ALA CA C 96 52.770 54.734 -1.964 1
1 671 . 6 1 1 A 58 58 ALA CB C 96 13.560 18.281 -4.721 1
1 672 . 6 1 1 A 58 58 ALA N N 96 120.500 120.065 0.435 1
1 673 . 6 1 1 A 59 59 GLN H H 97 8.490 7.879 0.611 1
1 674 . 6 1 1 A 59 59 GLN HA H 97 3.960 4.029 -0.069 1
1 681 . 6 1 1 A 59 59 GLN C C 97 175.100 178.465 -3.365 1
1 682 . 6 1 1 A 59 59 GLN CA C 97 56.370 58.922 -2.552 1
1 683 . 6 1 1 A 59 59 GLN CB C 97 26.500 28.400 -1.900 1
1 684 . 6 1 1 A 59 59 GLN N N 97 118.750 119.363 -0.613 1
1 686 . 6 1 1 A 60 60 PHE H H 98 8.020 7.893 0.127 1
1 687 . 6 1 1 A 60 60 PHE HA H 98 4.120 4.264 -0.144 1
1 694 . 6 1 1 A 60 60 PHE C C 98 174.780 176.979 -2.199 1
1 695 . 6 1 1 A 60 60 PHE CA C 98 58.650 61.467 -2.817 1
1 696 . 6 1 1 A 60 60 PHE CB C 98 35.240 39.305 -4.065 1
1 697 . 6 1 1 A 60 60 PHE N N 98 122.380 120.777 1.603 1
1 698 . 6 1 1 A 61 61 TYR H H 99 7.900 8.147 -0.247 1
1 699 . 6 1 1 A 61 61 TYR HA H 99 3.900 4.256 -0.356 1
1 704 . 6 1 1 A 61 61 TYR C C 99 175.494 178.101 -2.607 1
1 705 . 6 1 1 A 61 61 TYR CA C 99 60.600 61.699 -1.099 1
1 706 . 6 1 1 A 61 61 TYR CB C 99 36.120 38.744 -2.624 1
1 707 . 6 1 1 A 61 61 TYR N N 99 118.100 120.025 -1.925 1
1 708 . 6 1 1 A 62 62 MET H H 100 8.170 8.178 -0.008 1
1 709 . 6 1 1 A 62 62 MET HA H 100 3.810 4.230 -0.420 1
1 717 . 6 1 1 A 62 62 MET C C 100 175.130 178.407 -3.277 1
1 718 . 6 1 1 A 62 62 MET CA C 100 56.270 58.071 -1.801 1
1 719 . 6 1 1 A 62 62 MET CB C 100 31.260 32.258 -0.998 1
1 722 . 6 1 1 A 62 62 MET N N 100 118.350 118.523 -0.173 1
1 723 . 6 1 1 A 63 63 THR H H 101 7.720 7.365 0.355 1
1 724 . 6 1 1 A 63 63 THR HA H 101 4.120 4.138 -0.018 1
1 729 . 6 1 1 A 63 63 THR C C 101 172.265 175.551 -3.286 1
1 730 . 6 1 1 A 63 63 THR CA C 101 60.060 64.446 -4.386 1
1 731 . 6 1 1 A 63 63 THR CB C 101 66.880 69.146 -2.266 1
1 733 . 6 1 1 A 63 63 THR N N 101 110.720 112.754 -2.034 1
1 734 . 6 1 1 A 64 64 ASN H H 102 7.620 7.402 0.218 1
1 735 . 6 1 1 A 64 64 ASN HA H 102 4.541 4.929 -0.388 1
1 740 . 6 1 1 A 64 64 ASN C C 102 172.591 174.705 -2.114 1
1 741 . 6 1 1 A 64 64 ASN CA C 102 51.480 52.843 -1.363 1
1 742 . 6 1 1 A 64 64 ASN CB C 102 36.830 38.984 -2.154 1
1 743 . 6 1 1 A 64 64 ASN N N 102 114.000 115.827 -1.827 1
1 745 . 6 1 1 A 65 65 ALA H H 103 8.060 8.294 -0.234 1
1 746 . 6 1 1 A 65 65 ALA HA H 103 4.183 4.088 0.095 1
1 750 . 6 1 1 A 65 65 ALA C C 103 176.032 178.154 -2.122 1
1 751 . 6 1 1 A 65 65 ALA CA C 103 51.130 55.032 -3.902 1
1 752 . 6 1 1 A 65 65 ALA CB C 103 16.230 18.638 -2.408 1
1 753 . 6 1 1 A 65 65 ALA N N 103 123.910 126.900 -2.990 1
1 754 . 6 1 1 A 66 66 GLY H H 104 8.220 7.391 0.829 1
1 755 . 6 1 1 A 66 66 GLY HA2 H 104 3.883 3.969 -0.086 1
1 756 . 6 1 1 A 66 66 GLY C C 104 172.222 174.636 -2.414 1
1 757 . 6 1 1 A 66 66 GLY CA C 104 43.170 45.518 -2.348 1
1 758 . 6 1 1 A 66 66 GLY N N 104 106.420 103.360 3.060 1
1 759 . 6 1 1 A 67 67 LEU H H 105 7.890 7.965 -0.075 1
1 760 . 6 1 1 A 67 67 LEU HA H 105 4.290 4.612 -0.322 1
1 770 . 6 1 1 A 67 67 LEU C C 105 175.406 177.121 -1.715 1
1 771 . 6 1 1 A 67 67 LEU CA C 105 53.110 55.211 -2.101 1
1 772 . 6 1 1 A 67 67 LEU CB C 105 39.740 42.862 -3.122 1
1 776 . 6 1 1 A 67 67 LEU N N 105 120.570 118.038 2.532 1
1 777 . 6 1 1 A 68 68 THR H H 106 7.940 7.609 0.331 1
1 778 . 6 1 1 A 68 68 THR HA H 106 4.330 4.540 -0.210 1
1 783 . 6 1 1 A 68 68 THR C C 106 172.806 174.932 -2.126 1
1 784 . 6 1 1 A 68 68 THR CA C 106 59.700 61.168 -1.468 1
1 785 . 6 1 1 A 68 68 THR CB C 106 67.140 69.098 -1.958 1
1 787 . 6 1 1 A 68 68 THR N N 106 111.750 111.435 0.315 1
1 788 . 6 1 1 A 69 69 GLY H H 107 8.340 8.068 0.272 1
1 789 . 6 1 1 A 69 69 GLY HA2 H 107 3.940 3.703 0.237 1
1 790 . 6 1 1 A 69 69 GLY C C 107 171.503 174.441 -2.938 1
1 791 . 6 1 1 A 69 69 GLY CA C 107 42.990 46.557 -3.567 1
1 792 . 6 1 1 A 69 69 GLY N N 107 110.910 110.966 -0.056 1
1 793 . 6 1 1 A 70 70 ARG H H 108 7.930 8.250 -0.320 1
1 794 . 6 1 1 A 70 70 ARG HA H 108 4.355 4.717 -0.362 1
1 801 . 6 1 1 A 70 70 ARG C C 108 173.543 175.438 -1.895 1
1 802 . 6 1 1 A 70 70 ARG CA C 108 53.170 57.146 -3.976 1
1 803 . 6 1 1 A 70 70 ARG CB C 108 28.470 33.008 -4.538 1
1 806 . 6 1 1 A 70 70 ARG N N 108 119.900 123.864 -3.964 1
1 807 . 6 1 1 A 71 71 SER H H 109 8.400 8.375 0.025 1
1 808 . 6 1 1 A 71 71 SER HA H 109 4.409 4.634 -0.225 1
1 811 . 6 1 1 A 71 71 SER C C 109 172.430 174.167 -1.737 1
1 812 . 6 1 1 A 71 71 SER CA C 109 55.630 58.016 -2.386 1
1 813 . 6 1 1 A 71 71 SER CB C 109 61.060 65.088 -4.028 1
1 814 . 6 1 1 A 71 71 SER N N 109 116.970 116.725 0.245 1
1 815 . 6 1 1 A 72 72 MET H H 110 8.590 8.757 -0.167 1
1 816 . 6 1 1 A 72 72 MET HA H 110 4.394 4.803 -0.409 1
1 822 . 6 1 1 A 72 72 MET C C 110 173.487 175.682 -2.195 1
1 823 . 6 1 1 A 72 72 MET CA C 110 53.320 53.775 -0.455 1
1 824 . 6 1 1 A 72 72 MET CB C 110 29.300 32.239 -2.939 1
1 825 . 6 1 1 A 72 72 MET N N 110 122.250 122.382 -0.132 1
1 826 . 6 1 1 A 73 73 ASP H H 111 8.260 8.931 -0.671 1
1 827 . 6 1 1 A 73 73 ASP HA H 111 4.514 4.926 -0.412 1
1 830 . 6 1 1 A 73 73 ASP C C 111 173.886 175.034 -1.148 1
1 831 . 6 1 1 A 73 73 ASP CA C 111 52.150 54.222 -2.072 1
1 832 . 6 1 1 A 73 73 ASP CB C 111 38.310 41.773 -3.463 1
1 833 . 6 1 1 A 73 73 ASP N N 111 119.420 124.294 -4.874 1
1 834 . 6 1 1 A 74 74 THR H H 112 7.900 7.453 0.447 1
1 835 . 6 1 1 A 74 74 THR HA H 112 4.142 4.435 -0.293 1
1 840 . 6 1 1 A 74 74 THR C C 112 172.029 172.465 -0.436 1
1 841 . 6 1 1 A 74 74 THR CA C 112 59.640 60.270 -0.630 1
1 842 . 6 1 1 A 74 74 THR CB C 112 66.820 69.860 -3.040 1
1 844 . 6 1 1 A 74 74 THR N N 112 112.950 112.927 0.023 1
1 845 . 6 1 1 A 75 75 VAL H H 113 7.840 8.516 -0.676 1
1 846 . 6 1 1 A 75 75 VAL HA H 113 3.950 3.571 0.379 1
1 854 . 6 1 1 A 75 75 VAL C C 113 173.067 175.229 -2.162 1
1 855 . 6 1 1 A 75 75 VAL CA C 113 60.070 61.777 -1.707 1
1 856 . 6 1 1 A 75 75 VAL CB C 113 29.740 34.685 -4.945 1
1 859 . 6 1 1 A 75 75 VAL N N 113 121.540 123.336 -1.796 1
1 860 . 6 1 1 A 76 76 SER H H 114 8.020 7.521 0.499 1
1 861 . 6 1 1 A 76 76 SER HA H 114 3.974 4.431 -0.457 1
1 864 . 6 1 1 A 76 76 SER C C 114 171.259 173.267 -2.008 1
1 865 . 6 1 1 A 76 76 SER CA C 114 55.100 56.870 -1.770 1
1 866 . 6 1 1 A 76 76 SER CB C 114 61.160 61.363 -0.203 1
1 867 . 6 1 1 A 76 76 SER N N 114 117.830 117.619 0.211 1
1 868 . 6 1 1 A 77 77 TYR H H 115 7.770 7.951 -0.181 1
1 869 . 6 1 1 A 77 77 TYR HA H 115 4.240 4.166 0.074 1
1 874 . 6 1 1 A 77 77 TYR C C 115 172.865 176.905 -4.040 1
1 875 . 6 1 1 A 77 77 TYR CA C 115 55.100 58.909 -3.809 1
1 876 . 6 1 1 A 77 77 TYR CB C 115 36.110 38.651 -2.541 1
1 877 . 6 1 1 A 77 77 TYR N N 115 121.280 125.436 -4.156 1
1 878 . 6 1 1 A 78 78 ASN HA H 116 4.790 4.578 0.212 1
1 883 . 6 1 1 A 78 78 ASN C C 116 172.080 176.988 -4.908 1
1 884 . 6 1 1 A 78 78 ASN CA C 116 48.910 53.129 -4.219 1
1 885 . 6 1 1 A 78 78 ASN CB C 116 35.500 38.660 -3.160 1
1 886 . 6 1 1 A 78 78 ASN N N 116 112.900 119.728 -6.828 1
1 887 . 6 1 1 A 79 79 PHE H H 117 7.410 7.363 0.047 1
1 888 . 6 1 1 A 79 79 PHE HA H 117 4.440 4.104 0.336 1
1 895 . 6 1 1 A 79 79 PHE C C 117 174.370 178.300 -3.930 1
1 896 . 6 1 1 A 79 79 PHE CA C 117 56.890 60.265 -3.375 1
1 897 . 6 1 1 A 79 79 PHE CB C 117 34.540 38.654 -4.114 1
1 898 . 6 1 1 A 79 79 PHE N N 117 121.190 117.688 3.502 1
1 899 . 6 1 1 A 80 80 ALA H H 118 8.560 7.710 0.850 1
1 900 . 6 1 1 A 80 80 ALA HA H 118 4.140 2.816 1.324 1
1 904 . 6 1 1 A 80 80 ALA C C 118 176.482 177.071 -0.589 1
1 905 . 6 1 1 A 80 80 ALA CA C 118 52.430 53.088 -0.658 1
1 906 . 6 1 1 A 80 80 ALA CB C 118 16.160 18.370 -2.210 1
1 907 . 6 1 1 A 80 80 ALA N N 118 115.100 121.645 -6.545 1
1 908 . 6 1 1 A 81 81 THR H H 119 7.330 8.320 -0.990 1
1 909 . 6 1 1 A 81 81 THR HA H 119 4.450 4.586 -0.136 1
1 914 . 6 1 1 A 81 81 THR C C 119 172.909 173.411 -0.502 1
1 915 . 6 1 1 A 81 81 THR CA C 119 59.270 60.896 -1.626 1
1 916 . 6 1 1 A 81 81 THR CB C 119 66.770 69.904 -3.134 1
1 918 . 6 1 1 A 81 81 THR N N 119 104.710 112.244 -7.534 1
1 919 . 6 1 1 A 82 82 GLU H H 120 7.890 7.644 0.246 1
1 920 . 6 1 1 A 82 82 GLU HA H 120 4.260 4.547 -0.287 1
1 924 . 6 1 1 A 82 82 GLU C C 120 177.060 174.832 2.228 1
1 925 . 6 1 1 A 82 82 GLU CA C 120 54.740 54.647 0.093 1
1 926 . 6 1 1 A 82 82 GLU N N 120 120.760 120.634 0.126 1
1 927 . 6 1 1 A 83 83 ILE H H 121 7.630 8.313 -0.683 1
1 928 . 6 1 1 A 83 83 ILE HA H 121 3.330 3.684 -0.354 1
1 938 . 6 1 1 A 83 83 ILE CA C 121 57.580 63.026 -5.446 1
1 939 . 6 1 1 A 83 83 ILE CB C 121 35.770 36.507 -0.737 1
1 943 . 6 1 1 A 83 83 ILE N N 121 118.900 120.580 -1.680 1
1 944 . 6 1 1 A 84 84 PRO HA H 122 4.200 4.535 -0.335 1
1 951 . 6 1 1 A 84 84 PRO CA C 122 60.510 62.062 -1.552 1
1 952 . 6 1 1 A 84 84 PRO CB C 122 27.260 31.523 -4.263 1
1 955 . 6 1 1 A 86 86 THR HA H 124 3.869 4.080 -0.211 1
1 960 . 6 1 1 A 86 86 THR C C 124 172.991 176.676 -3.685 1
1 961 . 6 1 1 A 86 86 THR CA C 124 61.980 65.555 -3.575 1
1 962 . 6 1 1 A 86 86 THR CB C 124 65.710 68.683 -2.973 1
1 964 . 6 1 1 A 87 87 ILE H H 125 7.340 7.915 -0.575 1
1 965 . 6 1 1 A 87 87 ILE HA H 125 3.920 3.764 0.156 1
1 975 . 6 1 1 A 87 87 ILE C C 125 175.375 177.806 -2.431 1
1 976 . 6 1 1 A 87 87 ILE CA C 125 61.900 64.382 -2.482 1
1 977 . 6 1 1 A 87 87 ILE CB C 125 35.690 37.135 -1.445 1
1 981 . 6 1 1 A 87 87 ILE N N 125 120.800 121.445 -0.645 1
1 982 . 6 1 1 A 88 88 LEU HA H 126 4.070 3.530 0.540 1
1 992 . 6 1 1 A 88 88 LEU C C 126 177.060 178.193 -1.133 1
1 993 . 6 1 1 A 88 88 LEU CA C 126 55.950 57.823 -1.873 1
1 994 . 6 1 1 A 88 88 LEU CB C 126 39.710 41.810 -2.100 1
1 998 . 6 1 1 A 89 89 LYS H H 127 8.095 7.939 0.156 1
1 999 . 6 1 1 A 89 89 LYS HA H 127 4.030 3.868 0.162 1
1 1008 . 6 1 1 A 89 89 LYS C C 127 176.400 179.149 -2.749 1
1 1009 . 6 1 1 A 89 89 LYS CA C 127 56.010 59.159 -3.149 1
1 1010 . 6 1 1 A 89 89 LYS CB C 127 29.650 31.576 -1.926 1
1 1014 . 6 1 1 A 89 89 LYS N N 127 116.100 118.775 -2.675 1
1 1015 . 6 1 1 A 90 90 LYS H H 128 7.848 7.805 0.043 1
1 1016 . 6 1 1 A 90 90 LYS HA H 128 4.160 4.162 -0.002 1
1 1019 . 6 1 1 A 90 90 LYS C C 128 174.859 179.268 -4.409 1
1 1020 . 6 1 1 A 90 90 LYS CA C 128 54.750 57.801 -3.051 1
1 1021 . 6 1 1 A 90 90 LYS CB C 128 29.280 32.461 -3.181 1
1 1022 . 6 1 1 A 90 90 LYS N N 128 119.230 118.372 0.858 1
1 1023 . 6 1 1 A 91 91 LEU H H 129 7.640 7.005 0.635 1
1 1024 . 6 1 1 A 91 91 LEU HA H 129 4.250 3.790 0.460 1
1 1034 . 6 1 1 A 91 91 LEU CA C 129 52.280 57.378 -5.098 1
1 1035 . 6 1 1 A 91 91 LEU CB C 129 39.000 40.470 -1.470 1
1 1039 . 6 1 1 A 91 91 LEU N N 129 112.650 120.682 -8.032 1
1 1040 . 6 1 1 A 92 92 ASN H H 130 7.560 7.552 0.008 1
1 1041 . 6 1 1 A 92 92 ASN HA H 130 4.300 4.625 -0.325 1
1 1046 . 6 1 1 A 92 92 ASN C C 130 172.034 176.767 -4.733 1
1 1047 . 6 1 1 A 92 92 ASN CA C 130 55.070 55.315 -0.245 1
1 1048 . 6 1 1 A 92 92 ASN CB C 130 32.670 38.853 -6.183 1
1 1049 . 6 1 1 A 92 92 ASN N N 130 111.100 117.119 -6.019 1
1 1051 . 6 1 1 A 93 93 PRO HA H 131 4.220 4.400 -0.180 1
1 1058 . 6 1 1 A 93 93 PRO C C 131 173.540 178.508 -4.968 1
1 1059 . 6 1 1 A 93 93 PRO CA C 131 62.300 64.917 -2.617 1
1 1060 . 6 1 1 A 93 93 PRO CB C 131 28.140 31.568 -3.428 1
1 1062 . 6 1 1 A 94 94 TYR H H 132 7.630 7.911 -0.281 1
1 1063 . 6 1 1 A 94 94 TYR HA H 132 4.630 4.128 0.502 1
1 1068 . 6 1 1 A 94 94 TYR C C 132 172.700 175.793 -3.093 1
1 1069 . 6 1 1 A 94 94 TYR CA C 132 54.130 61.321 -7.191 1
1 1070 . 6 1 1 A 94 94 TYR CB C 132 36.500 38.800 -2.300 1
1 1071 . 6 1 1 A 94 94 TYR N N 132 114.100 118.785 -4.685 1
1 1072 . 6 1 1 A 95 95 ARG H H 133 7.250 8.266 -1.016 1
1 1073 . 6 1 1 A 95 95 ARG HA H 133 4.290 4.111 0.179 1
1 1081 . 6 1 1 A 95 95 ARG C C 133 173.763 174.755 -0.992 1
1 1082 . 6 1 1 A 95 95 ARG CA C 133 54.740 57.605 -2.865 1
1 1083 . 6 1 1 A 95 95 ARG CB C 133 27.880 28.503 -0.623 1
1 1086 . 6 1 1 A 95 95 ARG N N 133 119.390 118.577 0.813 1
1 1088 . 6 1 1 A 96 96 LYS H H 134 8.658 7.604 1.054 1
1 1089 . 6 1 1 A 96 96 LYS HA H 134 4.490 4.245 0.245 1
1 1098 . 6 1 1 A 96 96 LYS C C 134 173.560 176.389 -2.829 1
1 1099 . 6 1 1 A 96 96 LYS CA C 134 52.580 56.120 -3.540 1
1 1100 . 6 1 1 A 96 96 LYS CB C 134 30.590 35.314 -4.724 1
1 1104 . 6 1 1 A 96 96 LYS N N 134 125.000 117.191 7.809 1
1 1105 . 6 1 1 A 97 97 MET H H 135 8.330 7.620 0.710 1
1 1106 . 6 1 1 A 97 97 MET HA H 135 4.420 4.194 0.226 1
1 1114 . 6 1 1 A 97 97 MET C C 135 172.970 175.265 -2.295 1
1 1115 . 6 1 1 A 97 97 MET CA C 135 52.490 57.042 -4.552 1
1 1116 . 6 1 1 A 97 97 MET CB C 135 30.530 32.679 -2.149 1
1 1118 . 6 1 1 A 97 97 MET N N 135 120.890 118.038 2.852 1
1 1119 . 6 1 1 A 98 98 ALA H H 136 8.290 8.293 -0.003 1
1 1120 . 6 1 1 A 98 98 ALA HA H 136 4.180 4.430 -0.250 1
1 1124 . 6 1 1 A 98 98 ALA C C 136 173.767 177.400 -3.633 1
1 1125 . 6 1 1 A 98 98 ALA CA C 136 49.750 53.261 -3.511 1
1 1126 . 6 1 1 A 98 98 ALA CB C 136 16.350 21.429 -5.079 1
1 1127 . 6 1 1 A 98 98 ALA N N 136 126.050 117.849 8.201 1
1 1 . 7 1 1 A 3 3 VAL HA H 41 3.360 3.882 -0.522 1
1 9 . 7 1 1 A 3 3 VAL CA C 41 64.070 64.657 -0.587 1
1 10 . 7 1 1 A 3 3 VAL CB C 41 28.620 31.495 -2.875 1
1 13 . 7 1 1 A 4 4 LYS H H 42 8.223 8.215 0.008 1
1 14 . 7 1 1 A 4 4 LYS HA H 42 3.610 4.027 -0.417 1
1 21 . 7 1 1 A 4 4 LYS C C 42 175.928 178.457 -2.529 1
1 22 . 7 1 1 A 4 4 LYS CA C 42 58.640 58.788 -0.148 1
1 23 . 7 1 1 A 4 4 LYS CB C 42 28.640 31.788 -3.148 1
1 25 . 7 1 1 A 4 4 LYS N N 42 118.080 120.412 -2.332 1
1 26 . 7 1 1 A 5 5 ARG H H 43 7.920 8.004 -0.084 1
1 27 . 7 1 1 A 5 5 ARG HA H 43 4.060 4.229 -0.169 1
1 34 . 7 1 1 A 5 5 ARG C C 43 177.798 178.853 -1.055 1
1 35 . 7 1 1 A 5 5 ARG CA C 43 56.640 58.736 -2.096 1
1 36 . 7 1 1 A 5 5 ARG CB C 43 27.200 30.009 -2.809 1
1 38 . 7 1 1 A 5 5 ARG N N 43 117.720 118.923 -1.203 1
1 39 . 7 1 1 A 6 6 LEU H H 44 7.660 7.889 -0.229 1
1 40 . 7 1 1 A 6 6 LEU HA H 44 4.100 4.170 -0.070 1
1 50 . 7 1 1 A 6 6 LEU C C 44 176.114 179.137 -3.023 1
1 51 . 7 1 1 A 6 6 LEU CA C 44 55.100 57.447 -2.347 1
1 52 . 7 1 1 A 6 6 LEU CB C 44 39.570 42.323 -2.753 1
1 56 . 7 1 1 A 6 6 LEU N N 44 121.040 119.527 1.513 1
1 57 . 7 1 1 A 7 7 LEU H H 45 7.520 7.887 -0.367 1
1 58 . 7 1 1 A 7 7 LEU HA H 45 4.350 4.194 0.156 1
1 68 . 7 1 1 A 7 7 LEU C C 45 172.937 178.953 -6.016 1
1 69 . 7 1 1 A 7 7 LEU CA C 45 51.480 56.678 -5.198 1
1 70 . 7 1 1 A 7 7 LEU CB C 45 40.300 41.697 -1.397 1
1 74 . 7 1 1 A 7 7 LEU N N 45 116.660 116.230 0.430 1
1 75 . 7 1 1 A 8 8 SER H H 46 7.840 8.595 -0.755 1
1 76 . 7 1 1 A 8 8 SER HA H 46 3.960 4.263 -0.303 1
1 79 . 7 1 1 A 8 8 SER CA C 46 56.360 61.340 -4.980 1
1 80 . 7 1 1 A 8 8 SER CB C 46 58.870 62.905 -4.035 1
1 81 . 7 1 1 A 8 8 SER N N 46 113.750 114.763 -1.013 1
1 82 . 7 1 1 A 9 9 ILE H H 47 8.290 7.615 0.675 1
1 83 . 7 1 1 A 9 9 ILE HA H 47 4.230 4.229 0.001 1
1 93 . 7 1 1 A 9 9 ILE C C 47 174.540 177.994 -3.454 1
1 94 . 7 1 1 A 9 9 ILE CA C 47 58.680 63.204 -4.524 1
1 95 . 7 1 1 A 9 9 ILE CB C 47 36.912 38.737 -1.825 1
1 99 . 7 1 1 A 9 9 ILE N N 47 119.850 118.975 0.875 1
1 100 . 7 1 1 A 10 10 THR H H 48 8.760 7.875 0.885 1
1 101 . 7 1 1 A 10 10 THR HA H 48 4.465 4.387 0.078 1
1 106 . 7 1 1 A 10 10 THR C C 48 171.266 174.729 -3.463 1
1 107 . 7 1 1 A 10 10 THR CA C 48 58.390 64.246 -5.856 1
1 108 . 7 1 1 A 10 10 THR CB C 48 66.310 69.674 -3.364 1
1 110 . 7 1 1 A 10 10 THR N N 48 117.590 117.257 0.333 1
1 111 . 7 1 1 A 11 11 ASN H H 49 7.360 7.851 -0.491 1
1 112 . 7 1 1 A 11 11 ASN HA H 49 4.909 4.999 -0.090 1
1 117 . 7 1 1 A 11 11 ASN C C 49 172.506 174.261 -1.755 1
1 118 . 7 1 1 A 11 11 ASN CA C 49 49.430 52.434 -3.004 1
1 119 . 7 1 1 A 11 11 ASN CB C 49 37.420 39.197 -1.777 1
1 120 . 7 1 1 A 11 11 ASN N N 49 113.560 116.908 -3.348 1
1 122 . 7 1 1 A 12 12 ASP H H 50 8.256 8.171 0.085 1
1 123 . 7 1 1 A 12 12 ASP HA H 50 4.650 4.800 -0.150 1
1 126 . 7 1 1 A 12 12 ASP C C 50 176.400 176.813 -0.413 1
1 127 . 7 1 1 A 12 12 ASP CA C 50 51.210 55.622 -4.412 1
1 128 . 7 1 1 A 12 12 ASP CB C 50 38.080 42.144 -4.064 1
1 129 . 7 1 1 A 12 12 ASP N N 50 117.210 120.790 -3.580 1
1 130 . 7 1 1 A 13 13 LYS H H 51 7.895 8.112 -0.217 1
1 131 . 7 1 1 A 13 13 LYS HA H 51 3.840 4.082 -0.242 1
1 140 . 7 1 1 A 13 13 LYS C C 51 174.700 177.119 -2.419 1
1 141 . 7 1 1 A 13 13 LYS CA C 51 56.320 58.191 -1.871 1
1 142 . 7 1 1 A 13 13 LYS CB C 51 29.760 33.374 -3.614 1
1 146 . 7 1 1 A 13 13 LYS N N 51 120.500 119.436 1.064 1
1 147 . 7 1 1 A 14 14 HIS H H 52 9.000 8.682 0.318 1
1 148 . 7 1 1 A 14 14 HIS HA H 52 5.120 5.167 -0.047 1
1 152 . 7 1 1 A 14 14 HIS C C 52 173.200 175.473 -2.273 1
1 153 . 7 1 1 A 14 14 HIS CA C 52 52.370 55.104 -2.734 1
1 154 . 7 1 1 A 14 14 HIS CB C 52 27.520 29.905 -2.385 1
1 155 . 7 1 1 A 14 14 HIS N N 52 116.200 115.212 0.988 1
1 156 . 7 1 1 A 15 15 ASP H H 53 7.640 8.281 -0.641 1
1 157 . 7 1 1 A 15 15 ASP HA H 53 4.120 4.205 -0.085 1
1 160 . 7 1 1 A 15 15 ASP C C 53 176.183 178.354 -2.171 1
1 161 . 7 1 1 A 15 15 ASP CA C 53 56.060 57.030 -0.970 1
1 162 . 7 1 1 A 15 15 ASP CB C 53 36.350 39.784 -3.434 1
1 163 . 7 1 1 A 15 15 ASP N N 53 122.780 120.055 2.725 1
1 164 . 7 1 1 A 16 16 GLU H H 54 8.890 8.509 0.381 1
1 165 . 7 1 1 A 16 16 GLU HA H 54 4.020 4.112 -0.092 1
1 170 . 7 1 1 A 16 16 GLU CA C 54 57.770 59.391 -1.621 1
1 171 . 7 1 1 A 16 16 GLU CB C 54 26.330 29.312 -2.982 1
1 173 . 7 1 1 A 16 16 GLU N N 54 122.770 118.913 3.857 1
1 174 . 7 1 1 A 17 17 TYR H H 55 8.130 8.338 -0.208 1
1 175 . 7 1 1 A 17 17 TYR HA H 55 4.390 4.208 0.182 1
1 180 . 7 1 1 A 17 17 TYR C C 55 175.213 177.837 -2.624 1
1 181 . 7 1 1 A 17 17 TYR CA C 55 58.150 61.335 -3.185 1
1 182 . 7 1 1 A 17 17 TYR CB C 55 36.000 38.648 -2.648 1
1 185 . 7 1 1 A 17 17 TYR N N 55 121.000 121.330 -0.330 1
1 186 . 7 1 1 A 18 18 LEU H H 56 8.740 8.906 -0.166 1
1 187 . 7 1 1 A 18 18 LEU HA H 56 3.710 3.894 -0.184 1
1 197 . 7 1 1 A 18 18 LEU C C 56 175.500 179.018 -3.518 1
1 198 . 7 1 1 A 18 18 LEU CA C 56 55.470 58.114 -2.644 1
1 199 . 7 1 1 A 18 18 LEU CB C 56 39.920 41.613 -1.693 1
1 203 . 7 1 1 A 18 18 LEU N N 56 118.100 119.764 -1.664 1
1 204 . 7 1 1 A 19 19 THR H H 57 8.420 7.962 0.458 1
1 205 . 7 1 1 A 19 19 THR HA H 57 3.820 3.771 0.049 1
1 210 . 7 1 1 A 19 19 THR C C 57 172.234 176.815 -4.581 1
1 211 . 7 1 1 A 19 19 THR CA C 57 64.220 65.989 -1.769 1
1 212 . 7 1 1 A 19 19 THR CB C 57 66.050 68.837 -2.787 1
1 214 . 7 1 1 A 19 19 THR N N 57 114.940 115.064 -0.124 1
1 215 . 7 1 1 A 20 20 GLU H H 58 7.087 7.754 -0.667 1
1 216 . 7 1 1 A 20 20 GLU HA H 58 4.320 4.038 0.282 1
1 221 . 7 1 1 A 20 20 GLU C C 58 175.554 178.904 -3.350 1
1 222 . 7 1 1 A 20 20 GLU CA C 58 55.170 58.908 -3.738 1
1 223 . 7 1 1 A 20 20 GLU CB C 58 27.920 29.496 -1.576 1
1 225 . 7 1 1 A 20 20 GLU N N 58 117.800 121.365 -3.565 1
1 226 . 7 1 1 A 21 21 MET H H 59 8.320 7.344 0.976 1
1 227 . 7 1 1 A 21 21 MET HA H 59 4.330 3.246 1.084 1
1 235 . 7 1 1 A 21 21 MET C C 59 175.330 178.426 -3.096 1
1 236 . 7 1 1 A 21 21 MET CA C 59 54.270 58.100 -3.830 1
1 237 . 7 1 1 A 21 21 MET CB C 59 30.620 31.798 -1.178 1
1 240 . 7 1 1 A 21 21 MET N N 59 116.300 119.486 -3.186 1
1 241 . 7 1 1 A 22 22 VAL H H 60 8.800 7.336 1.464 1
1 242 . 7 1 1 A 22 22 VAL HA H 60 3.630 3.422 0.208 1
1 250 . 7 1 1 A 22 22 VAL C C 60 172.042 174.402 -2.360 1
1 251 . 7 1 1 A 22 22 VAL CA C 60 66.980 67.233 -0.253 1
1 252 . 7 1 1 A 22 22 VAL CB C 60 26.120 29.215 -3.095 1
1 255 . 7 1 1 A 22 22 VAL N N 60 117.600 119.182 -1.582 1
1 256 . 7 1 1 A 23 23 PRO HA H 61 4.270 4.235 0.035 1
1 263 . 7 1 1 A 23 23 PRO C C 61 177.110 178.948 -1.838 1
1 264 . 7 1 1 A 23 23 PRO CA C 61 63.460 65.318 -1.858 1
1 265 . 7 1 1 A 23 23 PRO CB C 61 28.400 31.121 -2.721 1
1 267 . 7 1 1 A 24 24 LEU H H 62 6.700 6.878 -0.178 1
1 268 . 7 1 1 A 24 24 LEU HA H 62 4.250 3.814 0.436 1
1 278 . 7 1 1 A 24 24 LEU C C 62 177.872 179.038 -1.166 1
1 279 . 7 1 1 A 24 24 LEU CA C 62 55.130 57.463 -2.333 1
1 280 . 7 1 1 A 24 24 LEU CB C 62 39.440 41.387 -1.947 1
1 284 . 7 1 1 A 24 24 LEU N N 62 115.750 117.319 -1.569 1
1 285 . 7 1 1 A 25 25 LEU H H 63 8.190 7.470 0.720 1
1 286 . 7 1 1 A 25 25 LEU HA H 63 3.920 3.953 -0.033 1
1 296 . 7 1 1 A 25 25 LEU C C 63 176.367 178.629 -2.262 1
1 297 . 7 1 1 A 25 25 LEU CA C 63 54.950 57.897 -2.947 1
1 298 . 7 1 1 A 25 25 LEU CB C 63 41.090 41.704 -0.614 1
1 302 . 7 1 1 A 25 25 LEU N N 63 121.800 120.223 1.577 1
1 303 . 7 1 1 A 26 26 VAL H H 64 8.590 8.224 0.366 1
1 304 . 7 1 1 A 26 26 VAL HA H 64 3.480 4.038 -0.558 1
1 312 . 7 1 1 A 26 26 VAL C C 64 174.801 178.044 -3.243 1
1 313 . 7 1 1 A 26 26 VAL CA C 64 64.860 65.459 -0.599 1
1 314 . 7 1 1 A 26 26 VAL CB C 64 28.900 31.603 -2.703 1
1 317 . 7 1 1 A 26 26 VAL N N 64 120.990 115.650 5.340 1
1 318 . 7 1 1 A 27 27 GLU H H 65 8.090 8.198 -0.108 1
1 319 . 7 1 1 A 27 27 GLU HA H 65 3.970 3.859 0.111 1
1 324 . 7 1 1 A 27 27 GLU C C 65 176.169 178.452 -2.283 1
1 325 . 7 1 1 A 27 27 GLU CA C 65 56.990 59.168 -2.178 1
1 326 . 7 1 1 A 27 27 GLU CB C 65 26.540 29.002 -2.462 1
1 328 . 7 1 1 A 27 27 GLU N N 65 118.990 122.269 -3.279 1
1 329 . 7 1 1 A 28 28 PHE H H 66 8.075 7.593 0.482 1
1 330 . 7 1 1 A 28 28 PHE HA H 66 4.570 4.183 0.387 1
1 337 . 7 1 1 A 28 28 PHE C C 66 173.482 177.163 -3.681 1
1 338 . 7 1 1 A 28 28 PHE CA C 66 58.390 60.547 -2.157 1
1 339 . 7 1 1 A 28 28 PHE CB C 66 36.680 38.394 -1.714 1
1 340 . 7 1 1 A 28 28 PHE N N 66 119.000 118.737 0.263 1
1 341 . 7 1 1 A 29 29 ALA H H 67 8.420 8.400 0.020 1
1 342 . 7 1 1 A 29 29 ALA HA H 67 3.500 3.907 -0.407 1
1 346 . 7 1 1 A 29 29 ALA C C 67 176.624 180.323 -3.699 1
1 347 . 7 1 1 A 29 29 ALA CA C 67 52.800 54.760 -1.960 1
1 348 . 7 1 1 A 29 29 ALA CB C 67 15.290 18.341 -3.051 1
1 349 . 7 1 1 A 29 29 ALA N N 67 121.810 122.882 -1.072 1
1 350 . 7 1 1 A 30 30 LYS H H 68 8.227 7.347 0.880 1
1 351 . 7 1 1 A 30 30 LYS HA H 68 4.090 4.002 0.088 1
1 360 . 7 1 1 A 30 30 LYS C C 68 177.400 178.593 -1.193 1
1 361 . 7 1 1 A 30 30 LYS CA C 68 56.700 59.004 -2.304 1
1 362 . 7 1 1 A 30 30 LYS CB C 68 31.230 31.638 -0.408 1
1 366 . 7 1 1 A 30 30 LYS N N 68 117.500 117.721 -0.221 1
1 367 . 7 1 1 A 31 31 ASP H H 69 7.820 7.969 -0.149 1
1 368 . 7 1 1 A 31 31 ASP HA H 69 4.210 4.375 -0.165 1
1 371 . 7 1 1 A 31 31 ASP C C 69 176.438 178.303 -1.865 1
1 372 . 7 1 1 A 31 31 ASP CA C 69 54.310 56.824 -2.514 1
1 373 . 7 1 1 A 31 31 ASP CB C 69 38.320 41.372 -3.052 1
1 374 . 7 1 1 A 31 31 ASP N N 69 120.370 119.213 1.157 1
1 375 . 7 1 1 A 32 32 GLU H H 70 8.840 8.163 0.677 1
1 376 . 7 1 1 A 32 32 GLU HA H 70 3.730 4.075 -0.345 1
1 381 . 7 1 1 A 32 32 GLU C C 70 176.119 177.937 -1.818 1
1 382 . 7 1 1 A 32 32 GLU CA C 70 55.270 59.379 -4.109 1
1 383 . 7 1 1 A 32 32 GLU CB C 70 26.810 29.374 -2.564 1
1 385 . 7 1 1 A 32 32 GLU N N 70 120.750 117.699 3.051 1
1 386 . 7 1 1 A 33 33 CYS H H 71 7.960 7.439 0.521 1
1 387 . 7 1 1 A 33 33 CYS HA H 71 4.070 4.702 -0.632 1
1 390 . 7 1 1 A 33 33 CYS C C 71 170.993 174.932 -3.939 1
1 391 . 7 1 1 A 33 33 CYS CA C 71 58.160 58.243 -0.083 1
1 392 . 7 1 1 A 33 33 CYS CB C 71 26.000 27.713 -1.713 1
1 393 . 7 1 1 A 33 33 CYS N N 71 111.530 116.189 -4.659 1
1 394 . 7 1 1 A 34 34 HIS H H 72 7.560 8.380 -0.820 1
1 395 . 7 1 1 A 34 34 HIS HA H 72 4.040 4.333 -0.293 1
1 398 . 7 1 1 A 34 34 HIS C C 72 170.400 174.758 -4.358 1
1 399 . 7 1 1 A 34 34 HIS CA C 72 53.230 57.230 -4.000 1
1 400 . 7 1 1 A 34 34 HIS CB C 72 23.830 27.649 -3.819 1
1 401 . 7 1 1 A 34 34 HIS N N 72 118.100 119.767 -1.667 1
1 402 . 7 1 1 A 35 35 ASN H H 73 7.590 8.022 -0.432 1
1 403 . 7 1 1 A 35 35 ASN HA H 73 4.805 4.668 0.137 1
1 408 . 7 1 1 A 35 35 ASN C C 73 170.429 175.225 -4.796 1
1 409 . 7 1 1 A 35 35 ASN CA C 73 46.130 51.494 -5.364 1
1 410 . 7 1 1 A 35 35 ASN CB C 73 39.580 38.432 1.148 1
1 411 . 7 1 1 A 35 35 ASN N N 73 112.400 118.727 -6.327 1
1 413 . 7 1 1 A 36 36 PRO HA H 74 4.120 4.298 -0.178 1
1 420 . 7 1 1 A 36 36 PRO C C 74 173.450 176.537 -3.087 1
1 421 . 7 1 1 A 36 36 PRO CA C 74 59.950 62.372 -2.422 1
1 422 . 7 1 1 A 36 36 PRO CB C 74 29.200 29.104 0.096 1
1 425 . 7 1 1 A 37 37 PHE H H 75 8.057 7.134 0.923 1
1 426 . 7 1 1 A 37 37 PHE HA H 75 4.200 4.492 -0.292 1
1 432 . 7 1 1 A 37 37 PHE C C 75 171.107 174.510 -3.403 1
1 433 . 7 1 1 A 37 37 PHE CA C 75 55.120 57.393 -2.273 1
1 434 . 7 1 1 A 37 37 PHE CB C 75 33.760 38.791 -5.031 1
1 436 . 7 1 1 A 38 38 ILE H H 76 7.610 7.520 0.090 1
1 437 . 7 1 1 A 38 38 ILE HA H 76 4.870 4.969 -0.099 1
1 447 . 7 1 1 A 38 38 ILE C C 76 174.180 174.224 -0.044 1
1 448 . 7 1 1 A 38 38 ILE CA C 76 56.300 59.602 -3.302 1
1 449 . 7 1 1 A 38 38 ILE CB C 76 38.040 41.327 -3.287 1
1 453 . 7 1 1 A 38 38 ILE N N 76 113.800 120.435 -6.635 1
1 454 . 7 1 1 A 39 39 ASP H H 77 8.830 9.023 -0.193 1
1 455 . 7 1 1 A 39 39 ASP HA H 77 4.710 5.049 -0.339 1
1 458 . 7 1 1 A 39 39 ASP C C 77 175.969 176.759 -0.790 1
1 459 . 7 1 1 A 39 39 ASP CA C 77 49.800 52.176 -2.376 1
1 460 . 7 1 1 A 39 39 ASP CB C 77 39.180 43.828 -4.648 1
1 461 . 7 1 1 A 39 39 ASP N N 77 125.380 124.831 0.549 1
1 462 . 7 1 1 A 40 40 LYS H H 78 8.370 8.784 -0.414 1
1 463 . 7 1 1 A 40 40 LYS HA H 78 4.100 4.141 -0.041 1
1 468 . 7 1 1 A 40 40 LYS C C 78 174.100 176.820 -2.720 1
1 469 . 7 1 1 A 40 40 LYS CA C 78 55.800 58.343 -2.543 1
1 470 . 7 1 1 A 40 40 LYS CB C 78 29.120 32.101 -2.981 1
1 471 . 7 1 1 A 40 40 LYS N N 78 116.800 124.114 -7.314 1
1 472 . 7 1 1 A 41 41 ASP H H 79 8.030 7.793 0.237 1
1 473 . 7 1 1 A 41 41 ASP HA H 79 4.810 4.753 0.057 1
1 476 . 7 1 1 A 41 41 ASP C C 79 173.360 176.428 -3.068 1
1 477 . 7 1 1 A 41 41 ASP CA C 79 51.650 54.009 -2.359 1
1 478 . 7 1 1 A 41 41 ASP CB C 79 39.570 41.633 -2.063 1
1 479 . 7 1 1 A 41 41 ASP N N 79 118.660 117.886 0.774 1
1 480 . 7 1 1 A 42 42 GLY H H 80 8.090 8.312 -0.222 1
1 481 . 7 1 1 A 42 42 GLY HA2 H 80 4.230 3.914 0.316 1
1 482 . 7 1 1 A 42 42 GLY HA3 H 80 3.490 3.917 -0.427 1
1 483 . 7 1 1 A 42 42 GLY C C 80 171.399 174.197 -2.798 1
1 484 . 7 1 1 A 42 42 GLY CA C 80 42.720 45.803 -3.083 1
1 485 . 7 1 1 A 42 42 GLY N N 80 107.750 108.125 -0.375 1
1 486 . 7 1 1 A 43 43 ASN H H 81 8.470 7.928 0.542 1
1 487 . 7 1 1 A 43 43 ASN HA H 81 4.815 5.104 -0.289 1
1 492 . 7 1 1 A 43 43 ASN C C 81 172.066 174.587 -2.521 1
1 493 . 7 1 1 A 43 43 ASN CA C 81 49.580 51.849 -2.269 1
1 494 . 7 1 1 A 43 43 ASN CB C 81 36.800 40.616 -3.816 1
1 495 . 7 1 1 A 43 43 ASN N N 81 117.600 119.165 -1.565 1
1 497 . 7 1 1 A 44 44 GLU H H 82 8.730 8.660 0.070 1
1 498 . 7 1 1 A 44 44 GLU HA H 82 4.370 4.792 -0.422 1
1 503 . 7 1 1 A 44 44 GLU C C 82 173.651 176.127 -2.476 1
1 504 . 7 1 1 A 44 44 GLU CA C 82 55.170 57.170 -2.000 1
1 505 . 7 1 1 A 44 44 GLU CB C 82 27.740 30.573 -2.833 1
1 507 . 7 1 1 A 44 44 GLU N N 82 123.400 122.589 0.811 1
1 508 . 7 1 1 A 45 45 SER H H 83 8.960 8.773 0.187 1
1 509 . 7 1 1 A 45 45 SER HA H 83 4.510 4.986 -0.476 1
1 512 . 7 1 1 A 45 45 SER C C 83 170.100 172.465 -2.365 1
1 513 . 7 1 1 A 45 45 SER CA C 83 53.800 56.945 -3.145 1
1 514 . 7 1 1 A 45 45 SER CB C 83 60.320 65.442 -5.122 1
1 515 . 7 1 1 A 45 45 SER N N 83 123.400 116.052 7.348 1
1 516 . 7 1 1 A 46 46 ILE H H 84 8.990 8.893 0.097 1
1 517 . 7 1 1 A 46 46 ILE HA H 84 3.880 4.703 -0.823 1
1 527 . 7 1 1 A 46 46 ILE C C 84 177.600 174.000 3.600 1
1 528 . 7 1 1 A 46 46 ILE CA C 84 55.490 57.491 -2.001 1
1 529 . 7 1 1 A 46 46 ILE CB C 84 34.850 41.643 -6.793 1
1 533 . 7 1 1 A 46 46 ILE N N 84 127.800 122.766 5.034 1
1 534 . 7 1 1 A 47 47 PRO HA H 85 3.840 4.723 -0.883 1
1 541 . 7 1 1 A 47 47 PRO C C 85 172.918 177.406 -4.488 1
1 542 . 7 1 1 A 47 47 PRO CA C 85 61.880 62.147 -0.267 1
1 543 . 7 1 1 A 47 47 PRO CB C 85 34.920 33.261 1.659 1
1 546 . 7 1 1 A 48 48 SER H H 86 7.780 8.712 -0.932 1
1 547 . 7 1 1 A 48 48 SER C C 86 174.554 176.945 -2.391 1
1 548 . 7 1 1 A 49 49 GLY H H 87 8.230 8.273 -0.043 1
1 549 . 7 1 1 A 49 49 GLY HA2 H 87 4.300 3.570 0.730 1
1 550 . 7 1 1 A 49 49 GLY HA3 H 87 3.950 3.589 0.361 1
1 551 . 7 1 1 A 49 49 GLY C C 87 173.507 175.414 -1.907 1
1 552 . 7 1 1 A 49 49 GLY CA C 87 44.600 47.388 -2.788 1
1 553 . 7 1 1 A 49 49 GLY N N 87 105.900 108.820 -2.920 1
1 554 . 7 1 1 A 50 50 VAL H H 88 6.855 8.382 -1.527 1
1 555 . 7 1 1 A 50 50 VAL HA H 88 3.510 3.879 -0.369 1
1 563 . 7 1 1 A 50 50 VAL C C 88 174.450 178.514 -4.064 1
1 564 . 7 1 1 A 50 50 VAL CA C 88 62.420 66.126 -3.706 1
1 565 . 7 1 1 A 50 50 VAL CB C 88 28.000 31.713 -3.713 1
1 568 . 7 1 1 A 50 50 VAL N N 88 119.950 122.842 -2.892 1
1 569 . 7 1 1 A 51 51 LEU H H 89 7.360 7.727 -0.367 1
1 570 . 7 1 1 A 51 51 LEU HA H 89 3.570 4.095 -0.525 1
1 580 . 7 1 1 A 51 51 LEU C C 89 175.078 178.281 -3.203 1
1 581 . 7 1 1 A 51 51 LEU CA C 89 55.490 58.045 -2.555 1
1 582 . 7 1 1 A 51 51 LEU CB C 89 37.320 41.574 -4.254 1
1 586 . 7 1 1 A 51 51 LEU N N 89 122.100 121.454 0.646 1
1 587 . 7 1 1 A 52 52 ILE H H 90 7.770 7.643 0.127 1
1 588 . 7 1 1 A 52 52 ILE HA H 90 3.600 3.854 -0.254 1
1 598 . 7 1 1 A 52 52 ILE C C 90 175.000 178.101 -3.101 1
1 599 . 7 1 1 A 52 52 ILE CA C 90 62.720 64.233 -1.513 1
1 600 . 7 1 1 A 52 52 ILE CB C 90 34.510 37.255 -2.745 1
1 604 . 7 1 1 A 52 52 ILE N N 90 117.460 115.692 1.768 1
1 605 . 7 1 1 A 53 53 PHE H H 91 7.400 8.101 -0.701 1
1 606 . 7 1 1 A 53 53 PHE HA H 91 3.900 4.220 -0.320 1
1 613 . 7 1 1 A 53 53 PHE C C 91 172.073 177.138 -5.065 1
1 614 . 7 1 1 A 53 53 PHE CA C 91 59.340 61.446 -2.106 1
1 615 . 7 1 1 A 53 53 PHE CB C 91 35.540 39.141 -3.601 1
1 616 . 7 1 1 A 53 53 PHE N N 91 119.280 124.827 -5.547 1
1 617 . 7 1 1 A 54 54 VAL H H 92 8.450 7.764 0.686 1
1 618 . 7 1 1 A 54 54 VAL HA H 92 2.850 3.431 -0.581 1
1 626 . 7 1 1 A 54 54 VAL C C 92 174.300 177.929 -3.629 1
1 627 . 7 1 1 A 54 54 VAL CA C 92 63.860 65.149 -1.289 1
1 628 . 7 1 1 A 54 54 VAL CB C 92 28.570 31.055 -2.485 1
1 631 . 7 1 1 A 54 54 VAL N N 92 119.170 118.281 0.889 1
1 632 . 7 1 1 A 55 55 ALA H H 93 8.615 7.946 0.669 1
1 633 . 7 1 1 A 55 55 ALA HA H 93 3.750 3.937 -0.187 1
1 637 . 7 1 1 A 55 55 ALA C C 93 176.294 179.752 -3.458 1
1 638 . 7 1 1 A 55 55 ALA CA C 93 52.800 55.766 -2.966 1
1 639 . 7 1 1 A 55 55 ALA CB C 93 16.050 18.700 -2.650 1
1 640 . 7 1 1 A 55 55 ALA N N 93 120.170 123.917 -3.747 1
1 641 . 7 1 1 A 56 56 LYS H H 94 8.548 8.199 0.349 1
1 642 . 7 1 1 A 56 56 LYS HA H 94 3.980 4.090 -0.110 1
1 649 . 7 1 1 A 56 56 LYS C C 94 177.600 179.474 -1.874 1
1 650 . 7 1 1 A 56 56 LYS CA C 94 55.800 59.204 -3.404 1
1 651 . 7 1 1 A 56 56 LYS CB C 94 29.500 32.101 -2.601 1
1 654 . 7 1 1 A 56 56 LYS N N 94 115.200 117.186 -1.986 1
1 655 . 7 1 1 A 57 57 ALA H H 95 8.840 8.141 0.699 1
1 656 . 7 1 1 A 57 57 ALA HA H 95 3.940 4.181 -0.241 1
1 660 . 7 1 1 A 57 57 ALA C C 95 175.754 180.212 -4.458 1
1 661 . 7 1 1 A 57 57 ALA CA C 95 52.670 55.169 -2.499 1
1 662 . 7 1 1 A 57 57 ALA CB C 95 16.070 18.075 -2.005 1
1 663 . 7 1 1 A 57 57 ALA N N 95 124.210 122.714 1.496 1
1 664 . 7 1 1 A 58 58 ALA H H 96 8.816 7.572 1.244 1
1 665 . 7 1 1 A 58 58 ALA HA H 96 4.043 4.173 -0.130 1
1 669 . 7 1 1 A 58 58 ALA C C 96 177.600 179.833 -2.233 1
1 670 . 7 1 1 A 58 58 ALA CA C 96 52.770 54.756 -1.986 1
1 671 . 7 1 1 A 58 58 ALA CB C 96 13.560 18.456 -4.896 1
1 672 . 7 1 1 A 58 58 ALA N N 96 120.500 120.220 0.280 1
1 673 . 7 1 1 A 59 59 GLN H H 97 8.490 8.191 0.299 1
1 674 . 7 1 1 A 59 59 GLN HA H 97 3.960 4.128 -0.168 1
1 681 . 7 1 1 A 59 59 GLN C C 97 175.100 178.152 -3.052 1
1 682 . 7 1 1 A 59 59 GLN CA C 97 56.370 58.236 -1.866 1
1 683 . 7 1 1 A 59 59 GLN CB C 97 26.500 27.770 -1.270 1
1 684 . 7 1 1 A 59 59 GLN N N 97 118.750 116.233 2.517 1
1 686 . 7 1 1 A 60 60 PHE H H 98 8.020 8.023 -0.003 1
1 687 . 7 1 1 A 60 60 PHE HA H 98 4.120 4.257 -0.137 1
1 694 . 7 1 1 A 60 60 PHE C C 98 174.780 177.310 -2.530 1
1 695 . 7 1 1 A 60 60 PHE CA C 98 58.650 61.569 -2.919 1
1 696 . 7 1 1 A 60 60 PHE CB C 98 35.240 39.724 -4.484 1
1 697 . 7 1 1 A 60 60 PHE N N 98 122.380 121.802 0.578 1
1 698 . 7 1 1 A 61 61 TYR H H 99 7.900 8.803 -0.903 1
1 699 . 7 1 1 A 61 61 TYR HA H 99 3.900 4.291 -0.391 1
1 704 . 7 1 1 A 61 61 TYR C C 99 175.494 177.529 -2.035 1
1 705 . 7 1 1 A 61 61 TYR CA C 99 60.600 61.652 -1.052 1
1 706 . 7 1 1 A 61 61 TYR CB C 99 36.120 38.680 -2.560 1
1 707 . 7 1 1 A 61 61 TYR N N 99 118.100 119.042 -0.942 1
1 708 . 7 1 1 A 62 62 MET H H 100 8.170 8.731 -0.561 1
1 709 . 7 1 1 A 62 62 MET HA H 100 3.810 4.417 -0.607 1
1 717 . 7 1 1 A 62 62 MET C C 100 175.130 178.967 -3.837 1
1 718 . 7 1 1 A 62 62 MET CA C 100 56.270 58.573 -2.303 1
1 719 . 7 1 1 A 62 62 MET CB C 100 31.260 32.364 -1.104 1
1 722 . 7 1 1 A 62 62 MET N N 100 118.350 118.622 -0.272 1
1 723 . 7 1 1 A 63 63 THR H H 101 7.720 7.893 -0.173 1
1 724 . 7 1 1 A 63 63 THR HA H 101 4.120 4.213 -0.093 1
1 729 . 7 1 1 A 63 63 THR C C 101 172.265 175.339 -3.074 1
1 730 . 7 1 1 A 63 63 THR CA C 101 60.060 65.419 -5.359 1
1 731 . 7 1 1 A 63 63 THR CB C 101 66.880 68.680 -1.800 1
1 733 . 7 1 1 A 63 63 THR N N 101 110.720 115.237 -4.517 1
1 734 . 7 1 1 A 64 64 ASN H H 102 7.620 7.930 -0.310 1
1 735 . 7 1 1 A 64 64 ASN HA H 102 4.541 4.983 -0.442 1
1 740 . 7 1 1 A 64 64 ASN C C 102 172.591 175.749 -3.158 1
1 741 . 7 1 1 A 64 64 ASN CA C 102 51.480 51.968 -0.488 1
1 742 . 7 1 1 A 64 64 ASN CB C 102 36.830 38.302 -1.472 1
1 743 . 7 1 1 A 64 64 ASN N N 102 114.000 116.115 -2.115 1
1 745 . 7 1 1 A 65 65 ALA H H 103 8.060 8.259 -0.199 1
1 746 . 7 1 1 A 65 65 ALA HA H 103 4.183 4.109 0.074 1
1 750 . 7 1 1 A 65 65 ALA C C 103 176.032 179.047 -3.015 1
1 751 . 7 1 1 A 65 65 ALA CA C 103 51.130 54.430 -3.300 1
1 752 . 7 1 1 A 65 65 ALA CB C 103 16.230 19.568 -3.338 1
1 753 . 7 1 1 A 65 65 ALA N N 103 123.910 123.084 0.826 1
1 754 . 7 1 1 A 66 66 GLY H H 104 8.220 8.259 -0.039 1
1 755 . 7 1 1 A 66 66 GLY HA2 H 104 3.883 4.145 -0.262 1
1 756 . 7 1 1 A 66 66 GLY C C 104 172.222 174.967 -2.745 1
1 757 . 7 1 1 A 66 66 GLY CA C 104 43.170 45.554 -2.384 1
1 758 . 7 1 1 A 66 66 GLY N N 104 106.420 105.985 0.435 1
1 759 . 7 1 1 A 67 67 LEU H H 105 7.890 7.911 -0.021 1
1 760 . 7 1 1 A 67 67 LEU HA H 105 4.290 4.481 -0.191 1
1 770 . 7 1 1 A 67 67 LEU C C 105 175.406 176.658 -1.252 1
1 771 . 7 1 1 A 67 67 LEU CA C 105 53.110 55.663 -2.553 1
1 772 . 7 1 1 A 67 67 LEU CB C 105 39.740 42.674 -2.934 1
1 776 . 7 1 1 A 67 67 LEU N N 105 120.570 117.925 2.645 1
1 777 . 7 1 1 A 68 68 THR H H 106 7.940 7.923 0.017 1
1 778 . 7 1 1 A 68 68 THR HA H 106 4.330 4.596 -0.266 1
1 783 . 7 1 1 A 68 68 THR C C 106 172.806 175.698 -2.892 1
1 784 . 7 1 1 A 68 68 THR CA C 106 59.700 60.802 -1.102 1
1 785 . 7 1 1 A 68 68 THR CB C 106 67.140 69.685 -2.545 1
1 787 . 7 1 1 A 68 68 THR N N 106 111.750 113.171 -1.421 1
1 788 . 7 1 1 A 69 69 GLY H H 107 8.340 8.416 -0.076 1
1 789 . 7 1 1 A 69 69 GLY HA2 H 107 3.940 3.791 0.149 1
1 790 . 7 1 1 A 69 69 GLY C C 107 171.503 174.866 -3.363 1
1 791 . 7 1 1 A 69 69 GLY CA C 107 42.990 46.991 -4.001 1
1 792 . 7 1 1 A 69 69 GLY N N 107 110.910 111.419 -0.509 1
1 793 . 7 1 1 A 70 70 ARG H H 108 7.930 7.555 0.375 1
1 794 . 7 1 1 A 70 70 ARG HA H 108 4.355 4.675 -0.320 1
1 801 . 7 1 1 A 70 70 ARG C C 108 173.543 175.598 -2.055 1
1 802 . 7 1 1 A 70 70 ARG CA C 108 53.170 57.473 -4.303 1
1 803 . 7 1 1 A 70 70 ARG CB C 108 28.470 32.562 -4.092 1
1 806 . 7 1 1 A 70 70 ARG N N 108 119.900 119.254 0.646 1
1 807 . 7 1 1 A 71 71 SER H H 109 8.400 7.643 0.757 1
1 808 . 7 1 1 A 71 71 SER HA H 109 4.409 4.711 -0.302 1
1 811 . 7 1 1 A 71 71 SER C C 109 172.430 172.632 -0.202 1
1 812 . 7 1 1 A 71 71 SER CA C 109 55.630 57.394 -1.764 1
1 813 . 7 1 1 A 71 71 SER CB C 109 61.060 63.980 -2.920 1
1 814 . 7 1 1 A 71 71 SER N N 109 116.970 112.345 4.625 1
1 815 . 7 1 1 A 72 72 MET H H 110 8.590 8.650 -0.060 1
1 816 . 7 1 1 A 72 72 MET HA H 110 4.394 4.907 -0.513 1
1 822 . 7 1 1 A 72 72 MET C C 110 173.487 175.130 -1.643 1
1 823 . 7 1 1 A 72 72 MET CA C 110 53.320 53.931 -0.611 1
1 824 . 7 1 1 A 72 72 MET CB C 110 29.300 32.007 -2.707 1
1 825 . 7 1 1 A 72 72 MET N N 110 122.250 123.956 -1.706 1
1 826 . 7 1 1 A 73 73 ASP H H 111 8.260 8.717 -0.457 1
1 827 . 7 1 1 A 73 73 ASP HA H 111 4.514 5.017 -0.503 1
1 830 . 7 1 1 A 73 73 ASP C C 111 173.886 176.378 -2.492 1
1 831 . 7 1 1 A 73 73 ASP CA C 111 52.150 52.858 -0.708 1
1 832 . 7 1 1 A 73 73 ASP CB C 111 38.310 43.059 -4.749 1
1 833 . 7 1 1 A 73 73 ASP N N 111 119.420 125.668 -6.248 1
1 834 . 7 1 1 A 74 74 THR H H 112 7.900 8.901 -1.001 1
1 835 . 7 1 1 A 74 74 THR HA H 112 4.142 4.095 0.047 1
1 840 . 7 1 1 A 74 74 THR C C 112 172.029 174.429 -2.400 1
1 841 . 7 1 1 A 74 74 THR CA C 112 59.640 63.273 -3.633 1
1 842 . 7 1 1 A 74 74 THR CB C 112 66.820 66.513 0.307 1
1 844 . 7 1 1 A 74 74 THR N N 112 112.950 118.325 -5.375 1
1 845 . 7 1 1 A 75 75 VAL H H 113 7.840 7.870 -0.030 1
1 846 . 7 1 1 A 75 75 VAL HA H 113 3.950 4.271 -0.321 1
1 854 . 7 1 1 A 75 75 VAL C C 113 173.067 175.727 -2.660 1
1 855 . 7 1 1 A 75 75 VAL CA C 113 60.070 62.885 -2.815 1
1 856 . 7 1 1 A 75 75 VAL CB C 113 29.740 33.075 -3.335 1
1 859 . 7 1 1 A 75 75 VAL N N 113 121.540 122.343 -0.803 1
1 860 . 7 1 1 A 76 76 SER H H 114 8.020 8.517 -0.497 1
1 861 . 7 1 1 A 76 76 SER HA H 114 3.974 4.530 -0.556 1
1 864 . 7 1 1 A 76 76 SER C C 114 171.259 171.753 -0.494 1
1 865 . 7 1 1 A 76 76 SER CA C 114 55.100 59.798 -4.698 1
1 866 . 7 1 1 A 76 76 SER CB C 114 61.160 62.739 -1.579 1
1 867 . 7 1 1 A 76 76 SER N N 114 117.830 116.938 0.892 1
1 868 . 7 1 1 A 77 77 TYR H H 115 7.770 8.110 -0.340 1
1 869 . 7 1 1 A 77 77 TYR HA H 115 4.240 4.590 -0.350 1
1 874 . 7 1 1 A 77 77 TYR C C 115 172.865 175.447 -2.582 1
1 875 . 7 1 1 A 77 77 TYR CA C 115 55.100 57.931 -2.831 1
1 876 . 7 1 1 A 77 77 TYR CB C 115 36.110 40.989 -4.879 1
1 877 . 7 1 1 A 77 77 TYR N N 115 121.280 121.936 -0.656 1
1 878 . 7 1 1 A 78 78 ASN HA H 116 4.790 4.317 0.473 1
1 883 . 7 1 1 A 78 78 ASN C C 116 172.080 175.653 -3.573 1
1 884 . 7 1 1 A 78 78 ASN CA C 116 48.910 54.706 -5.796 1
1 885 . 7 1 1 A 78 78 ASN CB C 116 35.500 37.572 -2.072 1
1 886 . 7 1 1 A 78 78 ASN N N 116 112.900 123.870 -10.970 1
1 887 . 7 1 1 A 79 79 PHE H H 117 7.410 6.630 0.780 1
1 888 . 7 1 1 A 79 79 PHE HA H 117 4.440 4.165 0.275 1
1 895 . 7 1 1 A 79 79 PHE C C 117 174.370 176.587 -2.217 1
1 896 . 7 1 1 A 79 79 PHE CA C 117 56.890 58.882 -1.992 1
1 897 . 7 1 1 A 79 79 PHE CB C 117 34.540 37.974 -3.434 1
1 898 . 7 1 1 A 79 79 PHE N N 117 121.190 118.032 3.158 1
1 899 . 7 1 1 A 80 80 ALA H H 118 8.560 7.197 1.363 1
1 900 . 7 1 1 A 80 80 ALA HA H 118 4.140 3.760 0.380 1
1 904 . 7 1 1 A 80 80 ALA C C 118 176.482 178.588 -2.106 1
1 905 . 7 1 1 A 80 80 ALA CA C 118 52.430 54.236 -1.806 1
1 906 . 7 1 1 A 80 80 ALA CB C 118 16.160 18.438 -2.278 1
1 907 . 7 1 1 A 80 80 ALA N N 118 115.100 122.688 -7.588 1
1 908 . 7 1 1 A 81 81 THR H H 119 7.330 7.763 -0.433 1
1 909 . 7 1 1 A 81 81 THR HA H 119 4.450 4.548 -0.098 1
1 914 . 7 1 1 A 81 81 THR C C 119 172.909 174.014 -1.105 1
1 915 . 7 1 1 A 81 81 THR CA C 119 59.270 62.841 -3.571 1
1 916 . 7 1 1 A 81 81 THR CB C 119 66.770 70.534 -3.764 1
1 918 . 7 1 1 A 81 81 THR N N 119 104.710 112.342 -7.632 1
1 919 . 7 1 1 A 82 82 GLU H H 120 7.890 7.746 0.144 1
1 920 . 7 1 1 A 82 82 GLU HA H 120 4.260 4.695 -0.435 1
1 924 . 7 1 1 A 82 82 GLU C C 120 177.060 174.894 2.166 1
1 925 . 7 1 1 A 82 82 GLU CA C 120 54.740 55.425 -0.685 1
1 926 . 7 1 1 A 82 82 GLU N N 120 120.760 118.697 2.063 1
1 927 . 7 1 1 A 83 83 ILE H H 121 7.630 7.801 -0.171 1
1 928 . 7 1 1 A 83 83 ILE HA H 121 3.330 2.893 0.437 1
1 938 . 7 1 1 A 83 83 ILE CA C 121 57.580 60.280 -2.700 1
1 939 . 7 1 1 A 83 83 ILE CB C 121 35.770 38.715 -2.945 1
1 943 . 7 1 1 A 83 83 ILE N N 121 118.900 120.329 -1.429 1
1 944 . 7 1 1 A 84 84 PRO HA H 122 4.200 4.491 -0.291 1
1 951 . 7 1 1 A 84 84 PRO CA C 122 60.510 62.745 -2.235 1
1 952 . 7 1 1 A 84 84 PRO CB C 122 27.260 31.268 -4.008 1
1 955 . 7 1 1 A 86 86 THR HA H 124 3.869 3.970 -0.101 1
1 960 . 7 1 1 A 86 86 THR C C 124 172.991 176.555 -3.564 1
1 961 . 7 1 1 A 86 86 THR CA C 124 61.980 65.804 -3.824 1
1 962 . 7 1 1 A 86 86 THR CB C 124 65.710 68.442 -2.732 1
1 964 . 7 1 1 A 87 87 ILE H H 125 7.340 7.763 -0.423 1
1 965 . 7 1 1 A 87 87 ILE HA H 125 3.920 3.632 0.288 1
1 975 . 7 1 1 A 87 87 ILE C C 125 175.375 178.217 -2.842 1
1 976 . 7 1 1 A 87 87 ILE CA C 125 61.900 64.350 -2.450 1
1 977 . 7 1 1 A 87 87 ILE CB C 125 35.690 37.075 -1.385 1
1 981 . 7 1 1 A 87 87 ILE N N 125 120.800 121.277 -0.477 1
1 982 . 7 1 1 A 88 88 LEU HA H 126 4.070 3.592 0.478 1
1 992 . 7 1 1 A 88 88 LEU C C 126 177.060 178.990 -1.930 1
1 993 . 7 1 1 A 88 88 LEU CA C 126 55.950 57.508 -1.558 1
1 994 . 7 1 1 A 88 88 LEU CB C 126 39.710 41.407 -1.697 1
1 998 . 7 1 1 A 89 89 LYS H H 127 8.095 7.657 0.438 1
1 999 . 7 1 1 A 89 89 LYS HA H 127 4.030 3.958 0.072 1
1 1008 . 7 1 1 A 89 89 LYS C C 127 176.400 178.485 -2.085 1
1 1009 . 7 1 1 A 89 89 LYS CA C 127 56.010 59.384 -3.374 1
1 1010 . 7 1 1 A 89 89 LYS CB C 127 29.650 31.902 -2.252 1
1 1014 . 7 1 1 A 89 89 LYS N N 127 116.100 119.383 -3.283 1
1 1015 . 7 1 1 A 90 90 LYS H H 128 7.848 7.470 0.378 1
1 1016 . 7 1 1 A 90 90 LYS HA H 128 4.160 3.952 0.208 1
1 1019 . 7 1 1 A 90 90 LYS C C 128 174.859 179.059 -4.200 1
1 1020 . 7 1 1 A 90 90 LYS CA C 128 54.750 57.760 -3.010 1
1 1021 . 7 1 1 A 90 90 LYS CB C 128 29.280 32.119 -2.839 1
1 1022 . 7 1 1 A 90 90 LYS N N 128 119.230 118.480 0.750 1
1 1023 . 7 1 1 A 91 91 LEU H H 129 7.640 6.764 0.876 1
1 1024 . 7 1 1 A 91 91 LEU HA H 129 4.250 3.944 0.306 1
1 1034 . 7 1 1 A 91 91 LEU CA C 129 52.280 57.696 -5.416 1
1 1035 . 7 1 1 A 91 91 LEU CB C 129 39.000 41.772 -2.772 1
1 1039 . 7 1 1 A 91 91 LEU N N 129 112.650 121.436 -8.786 1
1 1040 . 7 1 1 A 92 92 ASN H H 130 7.560 7.619 -0.059 1
1 1041 . 7 1 1 A 92 92 ASN HA H 130 4.300 4.397 -0.097 1
1 1046 . 7 1 1 A 92 92 ASN C C 130 172.034 176.387 -4.353 1
1 1047 . 7 1 1 A 92 92 ASN CA C 130 55.070 55.823 -0.753 1
1 1048 . 7 1 1 A 92 92 ASN CB C 130 32.670 38.367 -5.697 1
1 1049 . 7 1 1 A 92 92 ASN N N 130 111.100 116.266 -5.166 1
1 1051 . 7 1 1 A 93 93 PRO HA H 131 4.220 4.328 -0.108 1
1 1058 . 7 1 1 A 93 93 PRO C C 131 173.540 178.160 -4.620 1
1 1059 . 7 1 1 A 93 93 PRO CA C 131 62.300 64.818 -2.518 1
1 1060 . 7 1 1 A 93 93 PRO CB C 131 28.140 31.566 -3.426 1
1 1062 . 7 1 1 A 94 94 TYR H H 132 7.630 7.622 0.008 1
1 1063 . 7 1 1 A 94 94 TYR HA H 132 4.630 4.508 0.122 1
1 1068 . 7 1 1 A 94 94 TYR C C 132 172.700 176.111 -3.411 1
1 1069 . 7 1 1 A 94 94 TYR CA C 132 54.130 57.700 -3.570 1
1 1070 . 7 1 1 A 94 94 TYR CB C 132 36.500 38.894 -2.394 1
1 1071 . 7 1 1 A 94 94 TYR N N 132 114.100 117.139 -3.039 1
1 1072 . 7 1 1 A 95 95 ARG H H 133 7.250 8.380 -1.130 1
1 1073 . 7 1 1 A 95 95 ARG HA H 133 4.290 4.559 -0.269 1
1 1081 . 7 1 1 A 95 95 ARG C C 133 173.763 177.608 -3.845 1
1 1082 . 7 1 1 A 95 95 ARG CA C 133 54.740 56.251 -1.511 1
1 1083 . 7 1 1 A 95 95 ARG CB C 133 27.880 31.358 -3.478 1
1 1086 . 7 1 1 A 95 95 ARG N N 133 119.390 122.534 -3.144 1
1 1088 . 7 1 1 A 96 96 LYS H H 134 8.658 7.821 0.837 1
1 1089 . 7 1 1 A 96 96 LYS HA H 134 4.490 4.067 0.423 1
1 1098 . 7 1 1 A 96 96 LYS C C 134 173.560 179.119 -5.559 1
1 1099 . 7 1 1 A 96 96 LYS CA C 134 52.580 59.112 -6.532 1
1 1100 . 7 1 1 A 96 96 LYS CB C 134 30.590 31.962 -1.372 1
1 1104 . 7 1 1 A 96 96 LYS N N 134 125.000 119.568 5.432 1
1 1105 . 7 1 1 A 97 97 MET H H 135 8.330 8.402 -0.072 1
1 1106 . 7 1 1 A 97 97 MET HA H 135 4.420 4.442 -0.022 1
1 1114 . 7 1 1 A 97 97 MET C C 135 172.970 176.397 -3.427 1
1 1115 . 7 1 1 A 97 97 MET CA C 135 52.490 55.428 -2.938 1
1 1116 . 7 1 1 A 97 97 MET CB C 135 30.530 30.870 -0.340 1
1 1118 . 7 1 1 A 97 97 MET N N 135 120.890 118.798 2.092 1
1 1119 . 7 1 1 A 98 98 ALA H H 136 8.290 8.127 0.163 1
1 1120 . 7 1 1 A 98 98 ALA HA H 136 4.180 4.405 -0.225 1
1 1124 . 7 1 1 A 98 98 ALA C C 136 173.767 176.820 -3.053 1
1 1125 . 7 1 1 A 98 98 ALA CA C 136 49.750 51.288 -1.538 1
1 1126 . 7 1 1 A 98 98 ALA CB C 136 16.350 17.495 -1.145 1
1 1127 . 7 1 1 A 98 98 ALA N N 136 126.050 123.627 2.423 1
1 1 . 8 1 1 A 3 3 VAL HA H 41 3.360 3.811 -0.451 1
1 9 . 8 1 1 A 3 3 VAL CA C 41 64.070 64.784 -0.714 1
1 10 . 8 1 1 A 3 3 VAL CB C 41 28.620 31.395 -2.775 1
1 13 . 8 1 1 A 4 4 LYS H H 42 8.223 8.263 -0.040 1
1 14 . 8 1 1 A 4 4 LYS HA H 42 3.610 4.015 -0.405 1
1 21 . 8 1 1 A 4 4 LYS C C 42 175.928 178.434 -2.506 1
1 22 . 8 1 1 A 4 4 LYS CA C 42 58.640 58.784 -0.144 1
1 23 . 8 1 1 A 4 4 LYS CB C 42 28.640 31.797 -3.157 1
1 25 . 8 1 1 A 4 4 LYS N N 42 118.080 120.514 -2.434 1
1 26 . 8 1 1 A 5 5 ARG H H 43 7.920 7.907 0.013 1
1 27 . 8 1 1 A 5 5 ARG HA H 43 4.060 4.026 0.034 1
1 34 . 8 1 1 A 5 5 ARG C C 43 177.798 178.718 -0.920 1
1 35 . 8 1 1 A 5 5 ARG CA C 43 56.640 58.717 -2.077 1
1 36 . 8 1 1 A 5 5 ARG CB C 43 27.200 30.006 -2.806 1
1 38 . 8 1 1 A 5 5 ARG N N 43 117.720 118.966 -1.246 1
1 39 . 8 1 1 A 6 6 LEU H H 44 7.660 7.893 -0.233 1
1 40 . 8 1 1 A 6 6 LEU HA H 44 4.100 4.050 0.050 1
1 50 . 8 1 1 A 6 6 LEU C C 44 176.114 178.647 -2.533 1
1 51 . 8 1 1 A 6 6 LEU CA C 44 55.100 57.974 -2.874 1
1 52 . 8 1 1 A 6 6 LEU CB C 44 39.570 41.844 -2.274 1
1 56 . 8 1 1 A 6 6 LEU N N 44 121.040 122.024 -0.984 1
1 57 . 8 1 1 A 7 7 LEU H H 45 7.520 7.922 -0.402 1
1 58 . 8 1 1 A 7 7 LEU HA H 45 4.350 4.295 0.055 1
1 68 . 8 1 1 A 7 7 LEU C C 45 172.937 178.642 -5.705 1
1 69 . 8 1 1 A 7 7 LEU CA C 45 51.480 56.000 -4.520 1
1 70 . 8 1 1 A 7 7 LEU CB C 45 40.300 42.404 -2.104 1
1 74 . 8 1 1 A 7 7 LEU N N 45 116.660 117.600 -0.940 1
1 75 . 8 1 1 A 8 8 SER H H 46 7.840 8.425 -0.585 1
1 76 . 8 1 1 A 8 8 SER HA H 46 3.960 4.389 -0.429 1
1 79 . 8 1 1 A 8 8 SER CA C 46 56.360 59.158 -2.798 1
1 80 . 8 1 1 A 8 8 SER CB C 46 58.870 62.961 -4.091 1
1 81 . 8 1 1 A 8 8 SER N N 46 113.750 114.781 -1.031 1
1 82 . 8 1 1 A 9 9 ILE H H 47 8.290 8.188 0.102 1
1 83 . 8 1 1 A 9 9 ILE HA H 47 4.230 4.585 -0.355 1
1 93 . 8 1 1 A 9 9 ILE C C 47 174.540 175.728 -1.188 1
1 94 . 8 1 1 A 9 9 ILE CA C 47 58.680 62.560 -3.880 1
1 95 . 8 1 1 A 9 9 ILE CB C 47 36.912 40.757 -3.845 1
1 99 . 8 1 1 A 9 9 ILE N N 47 119.850 120.502 -0.652 1
1 100 . 8 1 1 A 10 10 THR H H 48 8.760 8.262 0.498 1
1 101 . 8 1 1 A 10 10 THR HA H 48 4.465 4.571 -0.106 1
1 106 . 8 1 1 A 10 10 THR C C 48 171.266 174.707 -3.441 1
1 107 . 8 1 1 A 10 10 THR CA C 48 58.390 61.870 -3.480 1
1 108 . 8 1 1 A 10 10 THR CB C 48 66.310 67.311 -1.001 1
1 110 . 8 1 1 A 10 10 THR N N 48 117.590 116.004 1.586 1
1 111 . 8 1 1 A 11 11 ASN H H 49 7.360 8.610 -1.250 1
1 112 . 8 1 1 A 11 11 ASN HA H 49 4.909 4.851 0.058 1
1 117 . 8 1 1 A 11 11 ASN C C 49 172.506 174.820 -2.314 1
1 118 . 8 1 1 A 11 11 ASN CA C 49 49.430 53.964 -4.534 1
1 119 . 8 1 1 A 11 11 ASN CB C 49 37.420 41.340 -3.920 1
1 120 . 8 1 1 A 11 11 ASN N N 49 113.560 122.079 -8.519 1
1 122 . 8 1 1 A 12 12 ASP H H 50 8.256 8.383 -0.127 1
1 123 . 8 1 1 A 12 12 ASP HA H 50 4.650 4.633 0.017 1
1 126 . 8 1 1 A 12 12 ASP C C 50 176.400 177.426 -1.026 1
1 127 . 8 1 1 A 12 12 ASP CA C 50 51.210 54.110 -2.900 1
1 128 . 8 1 1 A 12 12 ASP CB C 50 38.080 42.608 -4.528 1
1 129 . 8 1 1 A 12 12 ASP N N 50 117.210 119.497 -2.287 1
1 130 . 8 1 1 A 13 13 LYS H H 51 7.895 8.848 -0.953 1
1 131 . 8 1 1 A 13 13 LYS HA H 51 3.840 4.061 -0.221 1
1 140 . 8 1 1 A 13 13 LYS C C 51 174.700 178.754 -4.054 1
1 141 . 8 1 1 A 13 13 LYS CA C 51 56.320 58.845 -2.525 1
1 142 . 8 1 1 A 13 13 LYS CB C 51 29.760 31.891 -2.131 1
1 146 . 8 1 1 A 13 13 LYS N N 51 120.500 122.598 -2.098 1
1 147 . 8 1 1 A 14 14 HIS H H 52 9.000 8.221 0.779 1
1 148 . 8 1 1 A 14 14 HIS HA H 52 5.120 4.214 0.906 1
1 152 . 8 1 1 A 14 14 HIS C C 52 173.200 176.976 -3.776 1
1 153 . 8 1 1 A 14 14 HIS CA C 52 52.370 59.302 -6.932 1
1 154 . 8 1 1 A 14 14 HIS CB C 52 27.520 29.991 -2.471 1
1 155 . 8 1 1 A 14 14 HIS N N 52 116.200 119.269 -3.069 1
1 156 . 8 1 1 A 15 15 ASP H H 53 7.640 8.188 -0.548 1
1 157 . 8 1 1 A 15 15 ASP HA H 53 4.120 4.367 -0.247 1
1 160 . 8 1 1 A 15 15 ASP C C 53 176.183 178.047 -1.864 1
1 161 . 8 1 1 A 15 15 ASP CA C 53 56.060 57.522 -1.462 1
1 162 . 8 1 1 A 15 15 ASP CB C 53 36.350 42.095 -5.745 1
1 163 . 8 1 1 A 15 15 ASP N N 53 122.780 118.896 3.884 1
1 164 . 8 1 1 A 16 16 GLU H H 54 8.890 8.525 0.365 1
1 165 . 8 1 1 A 16 16 GLU HA H 54 4.020 4.096 -0.076 1
1 170 . 8 1 1 A 16 16 GLU CA C 54 57.770 59.339 -1.569 1
1 171 . 8 1 1 A 16 16 GLU CB C 54 26.330 29.130 -2.800 1
1 173 . 8 1 1 A 16 16 GLU N N 54 122.770 117.634 5.136 1
1 174 . 8 1 1 A 17 17 TYR H H 55 8.130 8.184 -0.054 1
1 175 . 8 1 1 A 17 17 TYR HA H 55 4.390 4.160 0.230 1
1 180 . 8 1 1 A 17 17 TYR C C 55 175.213 177.637 -2.424 1
1 181 . 8 1 1 A 17 17 TYR CA C 55 58.150 61.387 -3.237 1
1 182 . 8 1 1 A 17 17 TYR CB C 55 36.000 38.327 -2.327 1
1 185 . 8 1 1 A 17 17 TYR N N 55 121.000 121.438 -0.438 1
1 186 . 8 1 1 A 18 18 LEU H H 56 8.740 8.809 -0.069 1
1 187 . 8 1 1 A 18 18 LEU HA H 56 3.710 4.040 -0.330 1
1 197 . 8 1 1 A 18 18 LEU C C 56 175.500 178.363 -2.863 1
1 198 . 8 1 1 A 18 18 LEU CA C 56 55.470 58.483 -3.013 1
1 199 . 8 1 1 A 18 18 LEU CB C 56 39.920 42.009 -2.089 1
1 203 . 8 1 1 A 18 18 LEU N N 56 118.100 120.777 -2.677 1
1 204 . 8 1 1 A 19 19 THR H H 57 8.420 7.834 0.586 1
1 205 . 8 1 1 A 19 19 THR HA H 57 3.820 3.807 0.013 1
1 210 . 8 1 1 A 19 19 THR C C 57 172.234 177.202 -4.968 1
1 211 . 8 1 1 A 19 19 THR CA C 57 64.220 66.339 -2.119 1
1 212 . 8 1 1 A 19 19 THR CB C 57 66.050 68.403 -2.353 1
1 214 . 8 1 1 A 19 19 THR N N 57 114.940 113.937 1.003 1
1 215 . 8 1 1 A 20 20 GLU H H 58 7.087 7.224 -0.137 1
1 216 . 8 1 1 A 20 20 GLU HA H 58 4.320 4.138 0.182 1
1 221 . 8 1 1 A 20 20 GLU C C 58 175.554 179.084 -3.530 1
1 222 . 8 1 1 A 20 20 GLU CA C 58 55.170 58.995 -3.825 1
1 223 . 8 1 1 A 20 20 GLU CB C 58 27.920 29.607 -1.687 1
1 225 . 8 1 1 A 20 20 GLU N N 58 117.800 121.444 -3.644 1
1 226 . 8 1 1 A 21 21 MET H H 59 8.320 7.604 0.716 1
1 227 . 8 1 1 A 21 21 MET HA H 59 4.330 3.645 0.685 1
1 235 . 8 1 1 A 21 21 MET C C 59 175.330 178.735 -3.405 1
1 236 . 8 1 1 A 21 21 MET CA C 59 54.270 58.485 -4.215 1
1 237 . 8 1 1 A 21 21 MET CB C 59 30.620 31.952 -1.332 1
1 240 . 8 1 1 A 21 21 MET N N 59 116.300 119.325 -3.025 1
1 241 . 8 1 1 A 22 22 VAL H H 60 8.800 7.346 1.454 1
1 242 . 8 1 1 A 22 22 VAL HA H 60 3.630 3.820 -0.190 1
1 250 . 8 1 1 A 22 22 VAL C C 60 172.042 175.478 -3.436 1
1 251 . 8 1 1 A 22 22 VAL CA C 60 66.980 67.462 -0.482 1
1 252 . 8 1 1 A 22 22 VAL CB C 60 26.120 29.718 -3.598 1
1 255 . 8 1 1 A 22 22 VAL N N 60 117.600 119.937 -2.337 1
1 256 . 8 1 1 A 23 23 PRO HA H 61 4.270 4.386 -0.116 1
1 263 . 8 1 1 A 23 23 PRO C C 61 177.110 179.313 -2.203 1
1 264 . 8 1 1 A 23 23 PRO CA C 61 63.460 65.537 -2.077 1
1 265 . 8 1 1 A 23 23 PRO CB C 61 28.400 31.098 -2.698 1
1 267 . 8 1 1 A 24 24 LEU H H 62 6.700 7.174 -0.474 1
1 268 . 8 1 1 A 24 24 LEU HA H 62 4.250 3.979 0.271 1
1 278 . 8 1 1 A 24 24 LEU C C 62 177.872 179.530 -1.658 1
1 279 . 8 1 1 A 24 24 LEU CA C 62 55.130 57.779 -2.649 1
1 280 . 8 1 1 A 24 24 LEU CB C 62 39.440 41.619 -2.179 1
1 284 . 8 1 1 A 24 24 LEU N N 62 115.750 117.236 -1.486 1
1 285 . 8 1 1 A 25 25 LEU H H 63 8.190 7.836 0.354 1
1 286 . 8 1 1 A 25 25 LEU HA H 63 3.920 4.216 -0.296 1
1 296 . 8 1 1 A 25 25 LEU C C 63 176.367 178.635 -2.268 1
1 297 . 8 1 1 A 25 25 LEU CA C 63 54.950 57.961 -3.011 1
1 298 . 8 1 1 A 25 25 LEU CB C 63 41.090 41.933 -0.843 1
1 302 . 8 1 1 A 25 25 LEU N N 63 121.800 120.194 1.606 1
1 303 . 8 1 1 A 26 26 VAL H H 64 8.590 8.756 -0.166 1
1 304 . 8 1 1 A 26 26 VAL HA H 64 3.480 3.647 -0.167 1
1 312 . 8 1 1 A 26 26 VAL C C 64 174.801 177.378 -2.577 1
1 313 . 8 1 1 A 26 26 VAL CA C 64 64.860 67.018 -2.158 1
1 314 . 8 1 1 A 26 26 VAL CB C 64 28.900 31.452 -2.552 1
1 317 . 8 1 1 A 26 26 VAL N N 64 120.990 119.609 1.381 1
1 318 . 8 1 1 A 27 27 GLU H H 65 8.090 8.055 0.035 1
1 319 . 8 1 1 A 27 27 GLU HA H 65 3.970 3.423 0.547 1
1 324 . 8 1 1 A 27 27 GLU C C 65 176.169 178.962 -2.793 1
1 325 . 8 1 1 A 27 27 GLU CA C 65 56.990 58.956 -1.966 1
1 326 . 8 1 1 A 27 27 GLU CB C 65 26.540 29.442 -2.902 1
1 328 . 8 1 1 A 27 27 GLU N N 65 118.990 118.928 0.062 1
1 329 . 8 1 1 A 28 28 PHE H H 66 8.075 7.782 0.293 1
1 330 . 8 1 1 A 28 28 PHE HA H 66 4.570 4.181 0.389 1
1 337 . 8 1 1 A 28 28 PHE C C 66 173.482 176.928 -3.446 1
1 338 . 8 1 1 A 28 28 PHE CA C 66 58.390 61.430 -3.040 1
1 339 . 8 1 1 A 28 28 PHE CB C 66 36.680 38.946 -2.266 1
1 340 . 8 1 1 A 28 28 PHE N N 66 119.000 121.684 -2.684 1
1 341 . 8 1 1 A 29 29 ALA H H 67 8.420 8.704 -0.284 1
1 342 . 8 1 1 A 29 29 ALA HA H 67 3.500 3.694 -0.194 1
1 346 . 8 1 1 A 29 29 ALA C C 67 176.624 179.256 -2.632 1
1 347 . 8 1 1 A 29 29 ALA CA C 67 52.800 55.030 -2.230 1
1 348 . 8 1 1 A 29 29 ALA CB C 67 15.290 18.044 -2.754 1
1 349 . 8 1 1 A 29 29 ALA N N 67 121.810 121.412 0.398 1
1 350 . 8 1 1 A 30 30 LYS H H 68 8.227 7.793 0.434 1
1 351 . 8 1 1 A 30 30 LYS HA H 68 4.090 3.969 0.121 1
1 360 . 8 1 1 A 30 30 LYS C C 68 177.400 179.120 -1.720 1
1 361 . 8 1 1 A 30 30 LYS CA C 68 56.700 58.609 -1.909 1
1 362 . 8 1 1 A 30 30 LYS CB C 68 31.230 32.003 -0.773 1
1 366 . 8 1 1 A 30 30 LYS N N 68 117.500 117.465 0.035 1
1 367 . 8 1 1 A 31 31 ASP H H 69 7.820 7.659 0.161 1
1 368 . 8 1 1 A 31 31 ASP HA H 69 4.210 4.789 -0.579 1
1 371 . 8 1 1 A 31 31 ASP C C 69 176.438 178.410 -1.972 1
1 372 . 8 1 1 A 31 31 ASP CA C 69 54.310 56.954 -2.644 1
1 373 . 8 1 1 A 31 31 ASP CB C 69 38.320 41.469 -3.149 1
1 374 . 8 1 1 A 31 31 ASP N N 69 120.370 119.654 0.716 1
1 375 . 8 1 1 A 32 32 GLU H H 70 8.840 8.048 0.792 1
1 376 . 8 1 1 A 32 32 GLU HA H 70 3.730 3.992 -0.262 1
1 381 . 8 1 1 A 32 32 GLU C C 70 176.119 177.784 -1.665 1
1 382 . 8 1 1 A 32 32 GLU CA C 70 55.270 59.122 -3.852 1
1 383 . 8 1 1 A 32 32 GLU CB C 70 26.810 29.532 -2.722 1
1 385 . 8 1 1 A 32 32 GLU N N 70 120.750 118.199 2.551 1
1 386 . 8 1 1 A 33 33 CYS H H 71 7.960 7.511 0.449 1
1 387 . 8 1 1 A 33 33 CYS HA H 71 4.070 4.720 -0.650 1
1 390 . 8 1 1 A 33 33 CYS C C 71 170.993 174.082 -3.089 1
1 391 . 8 1 1 A 33 33 CYS CA C 71 58.160 58.353 -0.193 1
1 392 . 8 1 1 A 33 33 CYS CB C 71 26.000 27.854 -1.854 1
1 393 . 8 1 1 A 33 33 CYS N N 71 111.530 115.712 -4.182 1
1 394 . 8 1 1 A 34 34 HIS H H 72 7.560 7.733 -0.173 1
1 395 . 8 1 1 A 34 34 HIS HA H 72 4.040 4.307 -0.267 1
1 398 . 8 1 1 A 34 34 HIS C C 72 170.400 174.964 -4.564 1
1 399 . 8 1 1 A 34 34 HIS CA C 72 53.230 56.690 -3.460 1
1 400 . 8 1 1 A 34 34 HIS CB C 72 23.830 27.842 -4.012 1
1 401 . 8 1 1 A 34 34 HIS N N 72 118.100 118.442 -0.342 1
1 402 . 8 1 1 A 35 35 ASN H H 73 7.590 7.939 -0.349 1
1 403 . 8 1 1 A 35 35 ASN HA H 73 4.805 4.727 0.078 1
1 408 . 8 1 1 A 35 35 ASN C C 73 170.429 174.741 -4.312 1
1 409 . 8 1 1 A 35 35 ASN CA C 73 46.130 50.886 -4.756 1
1 410 . 8 1 1 A 35 35 ASN CB C 73 39.580 39.710 -0.130 1
1 411 . 8 1 1 A 35 35 ASN N N 73 112.400 120.912 -8.512 1
1 413 . 8 1 1 A 36 36 PRO HA H 74 4.120 4.203 -0.083 1
1 420 . 8 1 1 A 36 36 PRO C C 74 173.450 176.318 -2.868 1
1 421 . 8 1 1 A 36 36 PRO CA C 74 59.950 62.300 -2.350 1
1 422 . 8 1 1 A 36 36 PRO CB C 74 29.200 29.158 0.042 1
1 425 . 8 1 1 A 37 37 PHE H H 75 8.057 6.208 1.849 1
1 426 . 8 1 1 A 37 37 PHE HA H 75 4.200 4.535 -0.335 1
1 432 . 8 1 1 A 37 37 PHE C C 75 171.107 174.493 -3.386 1
1 433 . 8 1 1 A 37 37 PHE CA C 75 55.120 57.487 -2.367 1
1 434 . 8 1 1 A 37 37 PHE CB C 75 33.760 38.956 -5.196 1
1 436 . 8 1 1 A 38 38 ILE H H 76 7.610 7.434 0.176 1
1 437 . 8 1 1 A 38 38 ILE HA H 76 4.870 4.862 0.008 1
1 447 . 8 1 1 A 38 38 ILE C C 76 174.180 174.137 0.043 1
1 448 . 8 1 1 A 38 38 ILE CA C 76 56.300 59.822 -3.522 1
1 449 . 8 1 1 A 38 38 ILE CB C 76 38.040 41.663 -3.623 1
1 453 . 8 1 1 A 38 38 ILE N N 76 113.800 120.041 -6.241 1
1 454 . 8 1 1 A 39 39 ASP H H 77 8.830 9.305 -0.475 1
1 455 . 8 1 1 A 39 39 ASP HA H 77 4.710 5.072 -0.362 1
1 458 . 8 1 1 A 39 39 ASP C C 77 175.969 176.728 -0.759 1
1 459 . 8 1 1 A 39 39 ASP CA C 77 49.800 52.076 -2.276 1
1 460 . 8 1 1 A 39 39 ASP CB C 77 39.180 43.768 -4.588 1
1 461 . 8 1 1 A 39 39 ASP N N 77 125.380 124.835 0.545 1
1 462 . 8 1 1 A 40 40 LYS H H 78 8.370 8.670 -0.300 1
1 463 . 8 1 1 A 40 40 LYS HA H 78 4.100 4.029 0.071 1
1 468 . 8 1 1 A 40 40 LYS C C 78 174.100 176.797 -2.697 1
1 469 . 8 1 1 A 40 40 LYS CA C 78 55.800 58.483 -2.683 1
1 470 . 8 1 1 A 40 40 LYS CB C 78 29.120 32.206 -3.086 1
1 471 . 8 1 1 A 40 40 LYS N N 78 116.800 124.402 -7.602 1
1 472 . 8 1 1 A 41 41 ASP H H 79 8.030 7.792 0.238 1
1 473 . 8 1 1 A 41 41 ASP HA H 79 4.810 4.813 -0.003 1
1 476 . 8 1 1 A 41 41 ASP C C 79 173.360 176.413 -3.053 1
1 477 . 8 1 1 A 41 41 ASP CA C 79 51.650 53.903 -2.253 1
1 478 . 8 1 1 A 41 41 ASP CB C 79 39.570 41.096 -1.526 1
1 479 . 8 1 1 A 41 41 ASP N N 79 118.660 117.701 0.959 1
1 480 . 8 1 1 A 42 42 GLY H H 80 8.090 8.809 -0.719 1
1 481 . 8 1 1 A 42 42 GLY HA2 H 80 4.230 3.932 0.298 1
1 482 . 8 1 1 A 42 42 GLY HA3 H 80 3.490 3.935 -0.445 1
1 483 . 8 1 1 A 42 42 GLY C C 80 171.399 174.114 -2.715 1
1 484 . 8 1 1 A 42 42 GLY CA C 80 42.720 45.947 -3.227 1
1 485 . 8 1 1 A 42 42 GLY N N 80 107.750 108.558 -0.808 1
1 486 . 8 1 1 A 43 43 ASN H H 81 8.470 8.058 0.412 1
1 487 . 8 1 1 A 43 43 ASN HA H 81 4.815 5.148 -0.333 1
1 492 . 8 1 1 A 43 43 ASN C C 81 172.066 175.053 -2.987 1
1 493 . 8 1 1 A 43 43 ASN CA C 81 49.580 52.232 -2.652 1
1 494 . 8 1 1 A 43 43 ASN CB C 81 36.800 40.646 -3.846 1
1 495 . 8 1 1 A 43 43 ASN N N 81 117.600 118.241 -0.641 1
1 497 . 8 1 1 A 44 44 GLU H H 82 8.730 8.536 0.194 1
1 498 . 8 1 1 A 44 44 GLU HA H 82 4.370 4.392 -0.022 1
1 503 . 8 1 1 A 44 44 GLU C C 82 173.651 175.719 -2.068 1
1 504 . 8 1 1 A 44 44 GLU CA C 82 55.170 56.794 -1.624 1
1 505 . 8 1 1 A 44 44 GLU CB C 82 27.740 29.927 -2.187 1
1 507 . 8 1 1 A 44 44 GLU N N 82 123.400 121.518 1.882 1
1 508 . 8 1 1 A 45 45 SER H H 83 8.960 8.650 0.310 1
1 509 . 8 1 1 A 45 45 SER HA H 83 4.510 5.441 -0.931 1
1 512 . 8 1 1 A 45 45 SER C C 83 170.100 173.078 -2.978 1
1 513 . 8 1 1 A 45 45 SER CA C 83 53.800 57.082 -3.282 1
1 514 . 8 1 1 A 45 45 SER CB C 83 60.320 66.629 -6.309 1
1 515 . 8 1 1 A 45 45 SER N N 83 123.400 116.101 7.299 1
1 516 . 8 1 1 A 46 46 ILE H H 84 8.990 8.921 0.069 1
1 517 . 8 1 1 A 46 46 ILE HA H 84 3.880 4.682 -0.802 1
1 527 . 8 1 1 A 46 46 ILE C C 84 177.600 174.591 3.009 1
1 528 . 8 1 1 A 46 46 ILE CA C 84 55.490 57.665 -2.175 1
1 529 . 8 1 1 A 46 46 ILE CB C 84 34.850 41.719 -6.869 1
1 533 . 8 1 1 A 46 46 ILE N N 84 127.800 124.575 3.225 1
1 534 . 8 1 1 A 47 47 PRO HA H 85 3.840 4.689 -0.849 1
1 541 . 8 1 1 A 47 47 PRO C C 85 172.918 176.730 -3.812 1
1 542 . 8 1 1 A 47 47 PRO CA C 85 61.880 61.961 -0.081 1
1 543 . 8 1 1 A 47 47 PRO CB C 85 34.920 32.940 1.980 1
1 546 . 8 1 1 A 48 48 SER H H 86 7.780 8.874 -1.094 1
1 547 . 8 1 1 A 48 48 SER C C 86 174.554 176.758 -2.204 1
1 548 . 8 1 1 A 49 49 GLY H H 87 8.230 8.180 0.050 1
1 549 . 8 1 1 A 49 49 GLY HA2 H 87 4.300 3.676 0.624 1
1 550 . 8 1 1 A 49 49 GLY HA3 H 87 3.950 3.689 0.261 1
1 551 . 8 1 1 A 49 49 GLY C C 87 173.507 175.900 -2.393 1
1 552 . 8 1 1 A 49 49 GLY CA C 87 44.600 47.354 -2.754 1
1 553 . 8 1 1 A 49 49 GLY N N 87 105.900 108.335 -2.435 1
1 554 . 8 1 1 A 50 50 VAL H H 88 6.855 7.954 -1.099 1
1 555 . 8 1 1 A 50 50 VAL HA H 88 3.510 3.790 -0.280 1
1 563 . 8 1 1 A 50 50 VAL C C 88 174.450 178.227 -3.777 1
1 564 . 8 1 1 A 50 50 VAL CA C 88 62.420 65.961 -3.541 1
1 565 . 8 1 1 A 50 50 VAL CB C 88 28.000 31.337 -3.337 1
1 568 . 8 1 1 A 50 50 VAL N N 88 119.950 122.328 -2.378 1
1 569 . 8 1 1 A 51 51 LEU H H 89 7.360 7.597 -0.237 1
1 570 . 8 1 1 A 51 51 LEU HA H 89 3.570 4.041 -0.471 1
1 580 . 8 1 1 A 51 51 LEU C C 89 175.078 178.345 -3.267 1
1 581 . 8 1 1 A 51 51 LEU CA C 89 55.490 58.057 -2.567 1
1 582 . 8 1 1 A 51 51 LEU CB C 89 37.320 41.501 -4.181 1
1 586 . 8 1 1 A 51 51 LEU N N 89 122.100 121.465 0.635 1
1 587 . 8 1 1 A 52 52 ILE H H 90 7.770 7.544 0.226 1
1 588 . 8 1 1 A 52 52 ILE HA H 90 3.600 3.866 -0.266 1
1 598 . 8 1 1 A 52 52 ILE C C 90 175.000 178.074 -3.074 1
1 599 . 8 1 1 A 52 52 ILE CA C 90 62.720 64.519 -1.799 1
1 600 . 8 1 1 A 52 52 ILE CB C 90 34.510 37.413 -2.903 1
1 604 . 8 1 1 A 52 52 ILE N N 90 117.460 115.870 1.590 1
1 605 . 8 1 1 A 53 53 PHE H H 91 7.400 8.189 -0.789 1
1 606 . 8 1 1 A 53 53 PHE HA H 91 3.900 4.235 -0.335 1
1 613 . 8 1 1 A 53 53 PHE C C 91 172.073 177.150 -5.077 1
1 614 . 8 1 1 A 53 53 PHE CA C 91 59.340 61.529 -2.189 1
1 615 . 8 1 1 A 53 53 PHE CB C 91 35.540 39.036 -3.496 1
1 616 . 8 1 1 A 53 53 PHE N N 91 119.280 124.621 -5.341 1
1 617 . 8 1 1 A 54 54 VAL H H 92 8.450 8.269 0.181 1
1 618 . 8 1 1 A 54 54 VAL HA H 92 2.850 3.686 -0.836 1
1 626 . 8 1 1 A 54 54 VAL C C 92 174.300 177.990 -3.690 1
1 627 . 8 1 1 A 54 54 VAL CA C 92 63.860 65.299 -1.439 1
1 628 . 8 1 1 A 54 54 VAL CB C 92 28.570 31.168 -2.598 1
1 631 . 8 1 1 A 54 54 VAL N N 92 119.170 118.584 0.586 1
1 632 . 8 1 1 A 55 55 ALA H H 93 8.615 8.003 0.612 1
1 633 . 8 1 1 A 55 55 ALA HA H 93 3.750 3.950 -0.200 1
1 637 . 8 1 1 A 55 55 ALA C C 93 176.294 179.806 -3.512 1
1 638 . 8 1 1 A 55 55 ALA CA C 93 52.800 55.700 -2.900 1
1 639 . 8 1 1 A 55 55 ALA CB C 93 16.050 18.347 -2.297 1
1 640 . 8 1 1 A 55 55 ALA N N 93 120.170 123.697 -3.527 1
1 641 . 8 1 1 A 56 56 LYS H H 94 8.548 8.141 0.407 1
1 642 . 8 1 1 A 56 56 LYS HA H 94 3.980 4.088 -0.108 1
1 649 . 8 1 1 A 56 56 LYS C C 94 177.600 179.407 -1.807 1
1 650 . 8 1 1 A 56 56 LYS CA C 94 55.800 59.145 -3.345 1
1 651 . 8 1 1 A 56 56 LYS CB C 94 29.500 31.746 -2.246 1
1 654 . 8 1 1 A 56 56 LYS N N 94 115.200 117.207 -2.007 1
1 655 . 8 1 1 A 57 57 ALA H H 95 8.840 7.872 0.968 1
1 656 . 8 1 1 A 57 57 ALA HA H 95 3.940 3.956 -0.016 1
1 660 . 8 1 1 A 57 57 ALA C C 95 175.754 180.194 -4.440 1
1 661 . 8 1 1 A 57 57 ALA CA C 95 52.670 55.069 -2.399 1
1 662 . 8 1 1 A 57 57 ALA CB C 95 16.070 18.123 -2.053 1
1 663 . 8 1 1 A 57 57 ALA N N 95 124.210 122.472 1.738 1
1 664 . 8 1 1 A 58 58 ALA H H 96 8.816 7.731 1.085 1
1 665 . 8 1 1 A 58 58 ALA HA H 96 4.043 4.349 -0.306 1
1 669 . 8 1 1 A 58 58 ALA C C 96 177.600 179.929 -2.329 1
1 670 . 8 1 1 A 58 58 ALA CA C 96 52.770 54.877 -2.107 1
1 671 . 8 1 1 A 58 58 ALA CB C 96 13.560 18.633 -5.073 1
1 672 . 8 1 1 A 58 58 ALA N N 96 120.500 120.075 0.425 1
1 673 . 8 1 1 A 59 59 GLN H H 97 8.490 8.270 0.220 1
1 674 . 8 1 1 A 59 59 GLN HA H 97 3.960 4.105 -0.145 1
1 681 . 8 1 1 A 59 59 GLN C C 97 175.100 178.140 -3.040 1
1 682 . 8 1 1 A 59 59 GLN CA C 97 56.370 58.235 -1.865 1
1 683 . 8 1 1 A 59 59 GLN CB C 97 26.500 27.808 -1.308 1
1 684 . 8 1 1 A 59 59 GLN N N 97 118.750 116.187 2.563 1
1 686 . 8 1 1 A 60 60 PHE H H 98 8.020 7.970 0.050 1
1 687 . 8 1 1 A 60 60 PHE HA H 98 4.120 4.231 -0.111 1
1 694 . 8 1 1 A 60 60 PHE C C 98 174.780 177.228 -2.448 1
1 695 . 8 1 1 A 60 60 PHE CA C 98 58.650 61.508 -2.858 1
1 696 . 8 1 1 A 60 60 PHE CB C 98 35.240 39.728 -4.488 1
1 697 . 8 1 1 A 60 60 PHE N N 98 122.380 121.665 0.715 1
1 698 . 8 1 1 A 61 61 TYR H H 99 7.900 8.567 -0.667 1
1 699 . 8 1 1 A 61 61 TYR HA H 99 3.900 4.325 -0.425 1
1 704 . 8 1 1 A 61 61 TYR C C 99 175.494 177.914 -2.420 1
1 705 . 8 1 1 A 61 61 TYR CA C 99 60.600 61.471 -0.871 1
1 706 . 8 1 1 A 61 61 TYR CB C 99 36.120 38.709 -2.589 1
1 707 . 8 1 1 A 61 61 TYR N N 99 118.100 119.507 -1.407 1
1 708 . 8 1 1 A 62 62 MET H H 100 8.170 7.847 0.323 1
1 709 . 8 1 1 A 62 62 MET HA H 100 3.810 4.293 -0.483 1
1 717 . 8 1 1 A 62 62 MET C C 100 175.130 178.112 -2.982 1
1 718 . 8 1 1 A 62 62 MET CA C 100 56.270 58.337 -2.067 1
1 719 . 8 1 1 A 62 62 MET CB C 100 31.260 32.345 -1.085 1
1 722 . 8 1 1 A 62 62 MET N N 100 118.350 118.618 -0.268 1
1 723 . 8 1 1 A 63 63 THR H H 101 7.720 8.062 -0.342 1
1 724 . 8 1 1 A 63 63 THR HA H 101 4.120 3.966 0.154 1
1 729 . 8 1 1 A 63 63 THR C C 101 172.265 175.990 -3.725 1
1 730 . 8 1 1 A 63 63 THR CA C 101 60.060 64.080 -4.020 1
1 731 . 8 1 1 A 63 63 THR CB C 101 66.880 68.628 -1.748 1
1 733 . 8 1 1 A 63 63 THR N N 101 110.720 113.728 -3.008 1
1 734 . 8 1 1 A 64 64 ASN H H 102 7.620 8.431 -0.811 1
1 735 . 8 1 1 A 64 64 ASN HA H 102 4.541 4.413 0.128 1
1 740 . 8 1 1 A 64 64 ASN C C 102 172.591 176.325 -3.734 1
1 741 . 8 1 1 A 64 64 ASN CA C 102 51.480 55.016 -3.536 1
1 742 . 8 1 1 A 64 64 ASN CB C 102 36.830 36.868 -0.038 1
1 743 . 8 1 1 A 64 64 ASN N N 102 114.000 117.866 -3.866 1
1 745 . 8 1 1 A 65 65 ALA H H 103 8.060 7.424 0.636 1
1 746 . 8 1 1 A 65 65 ALA HA H 103 4.183 4.353 -0.170 1
1 750 . 8 1 1 A 65 65 ALA C C 103 176.032 178.449 -2.417 1
1 751 . 8 1 1 A 65 65 ALA CA C 103 51.130 52.288 -1.158 1
1 752 . 8 1 1 A 65 65 ALA CB C 103 16.230 18.668 -2.438 1
1 753 . 8 1 1 A 65 65 ALA N N 103 123.910 120.395 3.515 1
1 754 . 8 1 1 A 66 66 GLY H H 104 8.220 7.988 0.232 1
1 755 . 8 1 1 A 66 66 GLY HA2 H 104 3.883 3.885 -0.002 1
1 756 . 8 1 1 A 66 66 GLY C C 104 172.222 175.156 -2.934 1
1 757 . 8 1 1 A 66 66 GLY CA C 104 43.170 45.672 -2.502 1
1 758 . 8 1 1 A 66 66 GLY N N 104 106.420 107.852 -1.432 1
1 759 . 8 1 1 A 67 67 LEU H H 105 7.890 7.337 0.553 1
1 760 . 8 1 1 A 67 67 LEU HA H 105 4.290 4.552 -0.262 1
1 770 . 8 1 1 A 67 67 LEU C C 105 175.406 176.843 -1.437 1
1 771 . 8 1 1 A 67 67 LEU CA C 105 53.110 55.343 -2.233 1
1 772 . 8 1 1 A 67 67 LEU CB C 105 39.740 43.154 -3.414 1
1 776 . 8 1 1 A 67 67 LEU N N 105 120.570 117.022 3.548 1
1 777 . 8 1 1 A 68 68 THR H H 106 7.940 8.384 -0.444 1
1 778 . 8 1 1 A 68 68 THR HA H 106 4.330 4.506 -0.176 1
1 783 . 8 1 1 A 68 68 THR C C 106 172.806 175.392 -2.586 1
1 784 . 8 1 1 A 68 68 THR CA C 106 59.700 61.339 -1.639 1
1 785 . 8 1 1 A 68 68 THR CB C 106 67.140 69.183 -2.043 1
1 787 . 8 1 1 A 68 68 THR N N 106 111.750 113.819 -2.069 1
1 788 . 8 1 1 A 69 69 GLY H H 107 8.340 8.350 -0.010 1
1 789 . 8 1 1 A 69 69 GLY HA2 H 107 3.940 3.828 0.112 1
1 790 . 8 1 1 A 69 69 GLY C C 107 171.503 174.003 -2.500 1
1 791 . 8 1 1 A 69 69 GLY CA C 107 42.990 46.958 -3.968 1
1 792 . 8 1 1 A 69 69 GLY N N 107 110.910 111.463 -0.553 1
1 793 . 8 1 1 A 70 70 ARG H H 108 7.930 7.943 -0.013 1
1 794 . 8 1 1 A 70 70 ARG HA H 108 4.355 4.591 -0.236 1
1 801 . 8 1 1 A 70 70 ARG C C 108 173.543 175.721 -2.178 1
1 802 . 8 1 1 A 70 70 ARG CA C 108 53.170 54.916 -1.746 1
1 803 . 8 1 1 A 70 70 ARG CB C 108 28.470 28.698 -0.228 1
1 806 . 8 1 1 A 70 70 ARG N N 108 119.900 120.772 -0.872 1
1 807 . 8 1 1 A 71 71 SER H H 109 8.400 8.763 -0.363 1
1 808 . 8 1 1 A 71 71 SER HA H 109 4.409 4.349 0.060 1
1 811 . 8 1 1 A 71 71 SER C C 109 172.430 174.110 -1.680 1
1 812 . 8 1 1 A 71 71 SER CA C 109 55.630 60.135 -4.505 1
1 813 . 8 1 1 A 71 71 SER CB C 109 61.060 62.879 -1.819 1
1 814 . 8 1 1 A 71 71 SER N N 109 116.970 118.300 -1.330 1
1 815 . 8 1 1 A 72 72 MET H H 110 8.590 8.415 0.175 1
1 816 . 8 1 1 A 72 72 MET HA H 110 4.394 4.865 -0.471 1
1 822 . 8 1 1 A 72 72 MET C C 110 173.487 176.469 -2.982 1
1 823 . 8 1 1 A 72 72 MET CA C 110 53.320 54.033 -0.713 1
1 824 . 8 1 1 A 72 72 MET CB C 110 29.300 32.290 -2.990 1
1 825 . 8 1 1 A 72 72 MET N N 110 122.250 123.497 -1.247 1
1 826 . 8 1 1 A 73 73 ASP H H 111 8.260 7.959 0.301 1
1 827 . 8 1 1 A 73 73 ASP HA H 111 4.514 4.199 0.315 1
1 830 . 8 1 1 A 73 73 ASP C C 111 173.886 177.000 -3.114 1
1 831 . 8 1 1 A 73 73 ASP CA C 111 52.150 57.552 -5.402 1
1 832 . 8 1 1 A 73 73 ASP CB C 111 38.310 41.085 -2.775 1
1 833 . 8 1 1 A 73 73 ASP N N 111 119.420 120.597 -1.177 1
1 834 . 8 1 1 A 74 74 THR H H 112 7.900 7.512 0.388 1
1 835 . 8 1 1 A 74 74 THR HA H 112 4.142 4.633 -0.491 1
1 840 . 8 1 1 A 74 74 THR C C 112 172.029 173.932 -1.903 1
1 841 . 8 1 1 A 74 74 THR CA C 112 59.640 60.231 -0.591 1
1 842 . 8 1 1 A 74 74 THR CB C 112 66.820 68.550 -1.730 1
1 844 . 8 1 1 A 74 74 THR N N 112 112.950 108.278 4.672 1
1 845 . 8 1 1 A 75 75 VAL H H 113 7.840 7.353 0.487 1
1 846 . 8 1 1 A 75 75 VAL HA H 113 3.950 3.860 0.090 1
1 854 . 8 1 1 A 75 75 VAL C C 113 173.067 175.825 -2.758 1
1 855 . 8 1 1 A 75 75 VAL CA C 113 60.070 63.253 -3.183 1
1 856 . 8 1 1 A 75 75 VAL CB C 113 29.740 34.038 -4.298 1
1 859 . 8 1 1 A 75 75 VAL N N 113 121.540 119.880 1.660 1
1 860 . 8 1 1 A 76 76 SER H H 114 8.020 7.893 0.127 1
1 861 . 8 1 1 A 76 76 SER HA H 114 3.974 4.647 -0.673 1
1 864 . 8 1 1 A 76 76 SER C C 114 171.259 173.493 -2.234 1
1 865 . 8 1 1 A 76 76 SER CA C 114 55.100 57.754 -2.654 1
1 866 . 8 1 1 A 76 76 SER CB C 114 61.160 63.399 -2.239 1
1 867 . 8 1 1 A 76 76 SER N N 114 117.830 113.589 4.241 1
1 868 . 8 1 1 A 77 77 TYR H H 115 7.770 7.848 -0.078 1
1 869 . 8 1 1 A 77 77 TYR HA H 115 4.240 4.877 -0.637 1
1 874 . 8 1 1 A 77 77 TYR C C 115 172.865 173.995 -1.130 1
1 875 . 8 1 1 A 77 77 TYR CA C 115 55.100 57.233 -2.133 1
1 876 . 8 1 1 A 77 77 TYR CB C 115 36.110 40.239 -4.129 1
1 877 . 8 1 1 A 77 77 TYR N N 115 121.280 119.309 1.971 1
1 878 . 8 1 1 A 78 78 ASN HA H 116 4.790 5.111 -0.321 1
1 883 . 8 1 1 A 78 78 ASN C C 116 172.080 174.838 -2.758 1
1 884 . 8 1 1 A 78 78 ASN CA C 116 48.910 52.925 -4.015 1
1 885 . 8 1 1 A 78 78 ASN CB C 116 35.500 41.702 -6.202 1
1 886 . 8 1 1 A 78 78 ASN N N 116 112.900 118.389 -5.489 1
1 887 . 8 1 1 A 79 79 PHE H H 117 7.410 9.027 -1.617 1
1 888 . 8 1 1 A 79 79 PHE HA H 117 4.440 4.099 0.341 1
1 895 . 8 1 1 A 79 79 PHE C C 117 174.370 176.245 -1.875 1
1 896 . 8 1 1 A 79 79 PHE CA C 117 56.890 59.701 -2.811 1
1 897 . 8 1 1 A 79 79 PHE CB C 117 34.540 37.959 -3.419 1
1 898 . 8 1 1 A 79 79 PHE N N 117 121.190 123.469 -2.279 1
1 899 . 8 1 1 A 80 80 ALA H H 118 8.560 7.436 1.124 1
1 900 . 8 1 1 A 80 80 ALA HA H 118 4.140 3.568 0.572 1
1 904 . 8 1 1 A 80 80 ALA C C 118 176.482 178.114 -1.632 1
1 905 . 8 1 1 A 80 80 ALA CA C 118 52.430 52.974 -0.544 1
1 906 . 8 1 1 A 80 80 ALA CB C 118 16.160 18.789 -2.629 1
1 907 . 8 1 1 A 80 80 ALA N N 118 115.100 121.120 -6.020 1
1 908 . 8 1 1 A 81 81 THR H H 119 7.330 7.587 -0.257 1
1 909 . 8 1 1 A 81 81 THR HA H 119 4.450 4.537 -0.087 1
1 914 . 8 1 1 A 81 81 THR C C 119 172.909 174.476 -1.567 1
1 915 . 8 1 1 A 81 81 THR CA C 119 59.270 62.395 -3.125 1
1 916 . 8 1 1 A 81 81 THR CB C 119 66.770 70.101 -3.331 1
1 918 . 8 1 1 A 81 81 THR N N 119 104.710 105.429 -0.719 1
1 919 . 8 1 1 A 82 82 GLU H H 120 7.890 8.111 -0.221 1
1 920 . 8 1 1 A 82 82 GLU HA H 120 4.260 4.661 -0.401 1
1 924 . 8 1 1 A 82 82 GLU C C 120 177.060 174.169 2.891 1
1 925 . 8 1 1 A 82 82 GLU CA C 120 54.740 54.838 -0.098 1
1 926 . 8 1 1 A 82 82 GLU N N 120 120.760 117.746 3.014 1
1 927 . 8 1 1 A 83 83 ILE H H 121 7.630 8.187 -0.557 1
1 928 . 8 1 1 A 83 83 ILE HA H 121 3.330 3.348 -0.018 1
1 938 . 8 1 1 A 83 83 ILE CA C 121 57.580 56.684 0.896 1
1 939 . 8 1 1 A 83 83 ILE CB C 121 35.770 40.202 -4.432 1
1 943 . 8 1 1 A 83 83 ILE N N 121 118.900 120.320 -1.420 1
1 944 . 8 1 1 A 84 84 PRO HA H 122 4.200 4.503 -0.303 1
1 951 . 8 1 1 A 84 84 PRO CA C 122 60.510 62.145 -1.635 1
1 952 . 8 1 1 A 84 84 PRO CB C 122 27.260 32.635 -5.375 1
1 955 . 8 1 1 A 86 86 THR HA H 124 3.869 3.947 -0.078 1
1 960 . 8 1 1 A 86 86 THR C C 124 172.991 176.505 -3.514 1
1 961 . 8 1 1 A 86 86 THR CA C 124 61.980 66.006 -4.026 1
1 962 . 8 1 1 A 86 86 THR CB C 124 65.710 68.970 -3.260 1
1 964 . 8 1 1 A 87 87 ILE H H 125 7.340 7.757 -0.417 1
1 965 . 8 1 1 A 87 87 ILE HA H 125 3.920 3.888 0.032 1
1 975 . 8 1 1 A 87 87 ILE C C 125 175.375 178.090 -2.715 1
1 976 . 8 1 1 A 87 87 ILE CA C 125 61.900 64.485 -2.585 1
1 977 . 8 1 1 A 87 87 ILE CB C 125 35.690 37.141 -1.451 1
1 981 . 8 1 1 A 87 87 ILE N N 125 120.800 117.559 3.241 1
1 982 . 8 1 1 A 88 88 LEU HA H 126 4.070 4.070 0.000 1
1 992 . 8 1 1 A 88 88 LEU C C 126 177.060 178.557 -1.497 1
1 993 . 8 1 1 A 88 88 LEU CA C 126 55.950 58.062 -2.112 1
1 994 . 8 1 1 A 88 88 LEU CB C 126 39.710 41.789 -2.079 1
1 998 . 8 1 1 A 89 89 LYS H H 127 8.095 8.060 0.035 1
1 999 . 8 1 1 A 89 89 LYS HA H 127 4.030 4.122 -0.092 1
1 1008 . 8 1 1 A 89 89 LYS C C 127 176.400 177.931 -1.531 1
1 1009 . 8 1 1 A 89 89 LYS CA C 127 56.010 58.739 -2.729 1
1 1010 . 8 1 1 A 89 89 LYS CB C 127 29.650 32.382 -2.732 1
1 1014 . 8 1 1 A 89 89 LYS N N 127 116.100 119.296 -3.196 1
1 1015 . 8 1 1 A 90 90 LYS H H 128 7.848 8.311 -0.463 1
1 1016 . 8 1 1 A 90 90 LYS HA H 128 4.160 4.122 0.038 1
1 1019 . 8 1 1 A 90 90 LYS C C 128 174.859 179.146 -4.287 1
1 1020 . 8 1 1 A 90 90 LYS CA C 128 54.750 57.835 -3.085 1
1 1021 . 8 1 1 A 90 90 LYS CB C 128 29.280 32.535 -3.255 1
1 1022 . 8 1 1 A 90 90 LYS N N 128 119.230 118.534 0.696 1
1 1023 . 8 1 1 A 91 91 LEU H H 129 7.640 7.109 0.531 1
1 1024 . 8 1 1 A 91 91 LEU HA H 129 4.250 2.967 1.283 1
1 1034 . 8 1 1 A 91 91 LEU CA C 129 52.280 57.199 -4.919 1
1 1035 . 8 1 1 A 91 91 LEU CB C 129 39.000 41.154 -2.154 1
1 1039 . 8 1 1 A 91 91 LEU N N 129 112.650 121.482 -8.832 1
1 1040 . 8 1 1 A 92 92 ASN H H 130 7.560 7.784 -0.224 1
1 1041 . 8 1 1 A 92 92 ASN HA H 130 4.300 4.468 -0.168 1
1 1046 . 8 1 1 A 92 92 ASN C C 130 172.034 175.123 -3.089 1
1 1047 . 8 1 1 A 92 92 ASN CA C 130 55.070 58.182 -3.112 1
1 1048 . 8 1 1 A 92 92 ASN CB C 130 32.670 37.814 -5.144 1
1 1049 . 8 1 1 A 92 92 ASN N N 130 111.100 116.815 -5.715 1
1 1051 . 8 1 1 A 93 93 PRO HA H 131 4.220 4.381 -0.161 1
1 1058 . 8 1 1 A 93 93 PRO C C 131 173.540 176.437 -2.897 1
1 1059 . 8 1 1 A 93 93 PRO CA C 131 62.300 65.225 -2.925 1
1 1060 . 8 1 1 A 93 93 PRO CB C 131 28.140 31.663 -3.523 1
1 1062 . 8 1 1 A 94 94 TYR H H 132 7.630 7.756 -0.126 1
1 1063 . 8 1 1 A 94 94 TYR HA H 132 4.630 4.909 -0.279 1
1 1068 . 8 1 1 A 94 94 TYR C C 132 172.700 174.401 -1.701 1
1 1069 . 8 1 1 A 94 94 TYR CA C 132 54.130 56.354 -2.224 1
1 1070 . 8 1 1 A 94 94 TYR CB C 132 36.500 40.289 -3.789 1
1 1071 . 8 1 1 A 94 94 TYR N N 132 114.100 113.543 0.557 1
1 1072 . 8 1 1 A 95 95 ARG H H 133 7.250 8.799 -1.549 1
1 1073 . 8 1 1 A 95 95 ARG HA H 133 4.290 4.230 0.060 1
1 1081 . 8 1 1 A 95 95 ARG C C 133 173.763 174.738 -0.975 1
1 1082 . 8 1 1 A 95 95 ARG CA C 133 54.740 54.806 -0.066 1
1 1083 . 8 1 1 A 95 95 ARG CB C 133 27.880 32.276 -4.396 1
1 1086 . 8 1 1 A 95 95 ARG N N 133 119.390 119.923 -0.533 1
1 1088 . 8 1 1 A 96 96 LYS H H 134 8.658 8.315 0.343 1
1 1089 . 8 1 1 A 96 96 LYS HA H 134 4.490 4.462 0.028 1
1 1098 . 8 1 1 A 96 96 LYS C C 134 173.560 177.544 -3.984 1
1 1099 . 8 1 1 A 96 96 LYS CA C 134 52.580 56.442 -3.862 1
1 1100 . 8 1 1 A 96 96 LYS CB C 134 30.590 31.737 -1.147 1
1 1104 . 8 1 1 A 96 96 LYS N N 134 125.000 122.352 2.648 1
1 1105 . 8 1 1 A 97 97 MET H H 135 8.330 8.239 0.091 1
1 1106 . 8 1 1 A 97 97 MET HA H 135 4.420 4.119 0.301 1
1 1114 . 8 1 1 A 97 97 MET C C 135 172.970 175.510 -2.540 1
1 1115 . 8 1 1 A 97 97 MET CA C 135 52.490 58.027 -5.537 1
1 1116 . 8 1 1 A 97 97 MET CB C 135 30.530 30.557 -0.027 1
1 1118 . 8 1 1 A 97 97 MET N N 135 120.890 114.213 6.677 1
1 1119 . 8 1 1 A 98 98 ALA H H 136 8.290 8.627 -0.337 1
1 1120 . 8 1 1 A 98 98 ALA HA H 136 4.180 3.919 0.261 1
1 1124 . 8 1 1 A 98 98 ALA C C 136 173.767 176.702 -2.935 1
1 1125 . 8 1 1 A 98 98 ALA CA C 136 49.750 55.058 -5.308 1
1 1126 . 8 1 1 A 98 98 ALA CB C 136 16.350 17.252 -0.902 1
1 1127 . 8 1 1 A 98 98 ALA N N 136 126.050 119.590 6.460 1
1 1 . 9 1 1 A 3 3 VAL HA H 41 3.360 3.690 -0.330 1
1 9 . 9 1 1 A 3 3 VAL CA C 41 64.070 65.540 -1.470 1
1 10 . 9 1 1 A 3 3 VAL CB C 41 28.620 31.496 -2.876 1
1 13 . 9 1 1 A 4 4 LYS H H 42 8.223 7.940 0.283 1
1 14 . 9 1 1 A 4 4 LYS HA H 42 3.610 4.025 -0.415 1
1 21 . 9 1 1 A 4 4 LYS C C 42 175.928 179.828 -3.900 1
1 22 . 9 1 1 A 4 4 LYS CA C 42 58.640 59.702 -1.062 1
1 23 . 9 1 1 A 4 4 LYS CB C 42 28.640 32.009 -3.369 1
1 25 . 9 1 1 A 4 4 LYS N N 42 118.080 121.612 -3.532 1
1 26 . 9 1 1 A 5 5 ARG H H 43 7.920 7.953 -0.033 1
1 27 . 9 1 1 A 5 5 ARG HA H 43 4.060 4.059 0.001 1
1 34 . 9 1 1 A 5 5 ARG C C 43 177.798 178.014 -0.216 1
1 35 . 9 1 1 A 5 5 ARG CA C 43 56.640 58.677 -2.037 1
1 36 . 9 1 1 A 5 5 ARG CB C 43 27.200 29.938 -2.738 1
1 38 . 9 1 1 A 5 5 ARG N N 43 117.720 120.437 -2.717 1
1 39 . 9 1 1 A 6 6 LEU H H 44 7.660 7.868 -0.208 1
1 40 . 9 1 1 A 6 6 LEU HA H 44 4.100 4.167 -0.067 1
1 50 . 9 1 1 A 6 6 LEU C C 44 176.114 178.776 -2.662 1
1 51 . 9 1 1 A 6 6 LEU CA C 44 55.100 57.350 -2.250 1
1 52 . 9 1 1 A 6 6 LEU CB C 44 39.570 42.405 -2.835 1
1 56 . 9 1 1 A 6 6 LEU N N 44 121.040 119.263 1.777 1
1 57 . 9 1 1 A 7 7 LEU H H 45 7.520 7.926 -0.406 1
1 58 . 9 1 1 A 7 7 LEU HA H 45 4.350 4.193 0.157 1
1 68 . 9 1 1 A 7 7 LEU C C 45 172.937 178.491 -5.554 1
1 69 . 9 1 1 A 7 7 LEU CA C 45 51.480 56.182 -4.702 1
1 70 . 9 1 1 A 7 7 LEU CB C 45 40.300 42.221 -1.921 1
1 74 . 9 1 1 A 7 7 LEU N N 45 116.660 118.734 -2.074 1
1 75 . 9 1 1 A 8 8 SER H H 46 7.840 8.396 -0.556 1
1 76 . 9 1 1 A 8 8 SER HA H 46 3.960 4.370 -0.410 1
1 79 . 9 1 1 A 8 8 SER CA C 46 56.360 59.391 -3.031 1
1 80 . 9 1 1 A 8 8 SER CB C 46 58.870 62.713 -3.843 1
1 81 . 9 1 1 A 8 8 SER N N 46 113.750 113.824 -0.074 1
1 82 . 9 1 1 A 9 9 ILE H H 47 8.290 7.824 0.466 1
1 83 . 9 1 1 A 9 9 ILE HA H 47 4.230 4.499 -0.269 1
1 93 . 9 1 1 A 9 9 ILE C C 47 174.540 176.089 -1.549 1
1 94 . 9 1 1 A 9 9 ILE CA C 47 58.680 62.782 -4.102 1
1 95 . 9 1 1 A 9 9 ILE CB C 47 36.912 38.761 -1.849 1
1 99 . 9 1 1 A 9 9 ILE N N 47 119.850 119.853 -0.003 1
1 100 . 9 1 1 A 10 10 THR H H 48 8.760 7.850 0.910 1
1 101 . 9 1 1 A 10 10 THR HA H 48 4.465 4.367 0.098 1
1 106 . 9 1 1 A 10 10 THR C C 48 171.266 174.770 -3.504 1
1 107 . 9 1 1 A 10 10 THR CA C 48 58.390 61.318 -2.928 1
1 108 . 9 1 1 A 10 10 THR CB C 48 66.310 67.403 -1.093 1
1 110 . 9 1 1 A 10 10 THR N N 48 117.590 116.957 0.633 1
1 111 . 9 1 1 A 11 11 ASN H H 49 7.360 8.025 -0.665 1
1 112 . 9 1 1 A 11 11 ASN HA H 49 4.909 4.995 -0.086 1
1 117 . 9 1 1 A 11 11 ASN C C 49 172.506 176.032 -3.526 1
1 118 . 9 1 1 A 11 11 ASN CA C 49 49.430 53.989 -4.559 1
1 119 . 9 1 1 A 11 11 ASN CB C 49 37.420 40.441 -3.021 1
1 120 . 9 1 1 A 11 11 ASN N N 49 113.560 120.404 -6.844 1
1 122 . 9 1 1 A 12 12 ASP H H 50 8.256 8.439 -0.183 1
1 123 . 9 1 1 A 12 12 ASP HA H 50 4.650 4.382 0.268 1
1 126 . 9 1 1 A 12 12 ASP C C 50 176.400 178.465 -2.065 1
1 127 . 9 1 1 A 12 12 ASP CA C 50 51.210 56.682 -5.472 1
1 128 . 9 1 1 A 12 12 ASP CB C 50 38.080 40.715 -2.635 1
1 129 . 9 1 1 A 12 12 ASP N N 50 117.210 120.170 -2.960 1
1 130 . 9 1 1 A 13 13 LYS H H 51 7.895 8.010 -0.115 1
1 131 . 9 1 1 A 13 13 LYS HA H 51 3.840 4.184 -0.344 1
1 140 . 9 1 1 A 13 13 LYS C C 51 174.700 177.128 -2.428 1
1 141 . 9 1 1 A 13 13 LYS CA C 51 56.320 58.327 -2.007 1
1 142 . 9 1 1 A 13 13 LYS CB C 51 29.760 32.649 -2.889 1
1 146 . 9 1 1 A 13 13 LYS N N 51 120.500 117.501 2.999 1
1 147 . 9 1 1 A 14 14 HIS H H 52 9.000 7.956 1.044 1
1 148 . 9 1 1 A 14 14 HIS HA H 52 5.120 5.054 0.066 1
1 152 . 9 1 1 A 14 14 HIS C C 52 173.200 175.557 -2.357 1
1 153 . 9 1 1 A 14 14 HIS CA C 52 52.370 55.228 -2.858 1
1 154 . 9 1 1 A 14 14 HIS CB C 52 27.520 30.112 -2.592 1
1 155 . 9 1 1 A 14 14 HIS N N 52 116.200 116.985 -0.785 1
1 156 . 9 1 1 A 15 15 ASP H H 53 7.640 8.124 -0.484 1
1 157 . 9 1 1 A 15 15 ASP HA H 53 4.120 4.324 -0.204 1
1 160 . 9 1 1 A 15 15 ASP C C 53 176.183 178.157 -1.974 1
1 161 . 9 1 1 A 15 15 ASP CA C 53 56.060 57.519 -1.459 1
1 162 . 9 1 1 A 15 15 ASP CB C 53 36.350 41.143 -4.793 1
1 163 . 9 1 1 A 15 15 ASP N N 53 122.780 122.002 0.778 1
1 164 . 9 1 1 A 16 16 GLU H H 54 8.890 8.561 0.329 1
1 165 . 9 1 1 A 16 16 GLU HA H 54 4.020 4.111 -0.091 1
1 170 . 9 1 1 A 16 16 GLU CA C 54 57.770 59.386 -1.616 1
1 171 . 9 1 1 A 16 16 GLU CB C 54 26.330 29.253 -2.923 1
1 173 . 9 1 1 A 16 16 GLU N N 54 122.770 117.905 4.865 1
1 174 . 9 1 1 A 17 17 TYR H H 55 8.130 8.210 -0.080 1
1 175 . 9 1 1 A 17 17 TYR HA H 55 4.390 4.187 0.203 1
1 180 . 9 1 1 A 17 17 TYR C C 55 175.213 177.441 -2.228 1
1 181 . 9 1 1 A 17 17 TYR CA C 55 58.150 61.307 -3.157 1
1 182 . 9 1 1 A 17 17 TYR CB C 55 36.000 38.434 -2.434 1
1 185 . 9 1 1 A 17 17 TYR N N 55 121.000 121.291 -0.291 1
1 186 . 9 1 1 A 18 18 LEU H H 56 8.740 8.638 0.102 1
1 187 . 9 1 1 A 18 18 LEU HA H 56 3.710 3.913 -0.203 1
1 197 . 9 1 1 A 18 18 LEU C C 56 175.500 178.590 -3.090 1
1 198 . 9 1 1 A 18 18 LEU CA C 56 55.470 57.949 -2.479 1
1 199 . 9 1 1 A 18 18 LEU CB C 56 39.920 41.359 -1.439 1
1 203 . 9 1 1 A 18 18 LEU N N 56 118.100 120.330 -2.230 1
1 204 . 9 1 1 A 19 19 THR H H 57 8.420 8.080 0.340 1
1 205 . 9 1 1 A 19 19 THR HA H 57 3.820 3.928 -0.108 1
1 210 . 9 1 1 A 19 19 THR C C 57 172.234 177.487 -5.253 1
1 211 . 9 1 1 A 19 19 THR CA C 57 64.220 65.903 -1.683 1
1 212 . 9 1 1 A 19 19 THR CB C 57 66.050 68.237 -2.187 1
1 214 . 9 1 1 A 19 19 THR N N 57 114.940 111.169 3.771 1
1 215 . 9 1 1 A 20 20 GLU H H 58 7.087 7.723 -0.636 1
1 216 . 9 1 1 A 20 20 GLU HA H 58 4.320 3.871 0.449 1
1 221 . 9 1 1 A 20 20 GLU C C 58 175.554 179.251 -3.697 1
1 222 . 9 1 1 A 20 20 GLU CA C 58 55.170 59.717 -4.547 1
1 223 . 9 1 1 A 20 20 GLU CB C 58 27.920 29.264 -1.344 1
1 225 . 9 1 1 A 20 20 GLU N N 58 117.800 122.248 -4.448 1
1 226 . 9 1 1 A 21 21 MET H H 59 8.320 7.456 0.864 1
1 227 . 9 1 1 A 21 21 MET HA H 59 4.330 4.052 0.278 1
1 235 . 9 1 1 A 21 21 MET C C 59 175.330 178.731 -3.401 1
1 236 . 9 1 1 A 21 21 MET CA C 59 54.270 58.897 -4.627 1
1 237 . 9 1 1 A 21 21 MET CB C 59 30.620 32.341 -1.721 1
1 240 . 9 1 1 A 21 21 MET N N 59 116.300 119.448 -3.148 1
1 241 . 9 1 1 A 22 22 VAL H H 60 8.800 7.957 0.843 1
1 242 . 9 1 1 A 22 22 VAL HA H 60 3.630 3.584 0.046 1
1 250 . 9 1 1 A 22 22 VAL C C 60 172.042 174.546 -2.504 1
1 251 . 9 1 1 A 22 22 VAL CA C 60 66.980 67.375 -0.395 1
1 252 . 9 1 1 A 22 22 VAL CB C 60 26.120 29.153 -3.033 1
1 255 . 9 1 1 A 22 22 VAL N N 60 117.600 119.719 -2.119 1
1 256 . 9 1 1 A 23 23 PRO HA H 61 4.270 4.304 -0.034 1
1 263 . 9 1 1 A 23 23 PRO C C 61 177.110 178.976 -1.866 1
1 264 . 9 1 1 A 23 23 PRO CA C 61 63.460 65.364 -1.904 1
1 265 . 9 1 1 A 23 23 PRO CB C 61 28.400 31.197 -2.797 1
1 267 . 9 1 1 A 24 24 LEU H H 62 6.700 7.034 -0.334 1
1 268 . 9 1 1 A 24 24 LEU HA H 62 4.250 3.735 0.515 1
1 278 . 9 1 1 A 24 24 LEU C C 62 177.872 179.252 -1.380 1
1 279 . 9 1 1 A 24 24 LEU CA C 62 55.130 57.327 -2.197 1
1 280 . 9 1 1 A 24 24 LEU CB C 62 39.440 40.529 -1.089 1
1 284 . 9 1 1 A 24 24 LEU N N 62 115.750 117.455 -1.705 1
1 285 . 9 1 1 A 25 25 LEU H H 63 8.190 7.521 0.669 1
1 286 . 9 1 1 A 25 25 LEU HA H 63 3.920 4.116 -0.196 1
1 296 . 9 1 1 A 25 25 LEU C C 63 176.367 178.681 -2.314 1
1 297 . 9 1 1 A 25 25 LEU CA C 63 54.950 57.854 -2.904 1
1 298 . 9 1 1 A 25 25 LEU CB C 63 41.090 41.818 -0.728 1
1 302 . 9 1 1 A 25 25 LEU N N 63 121.800 120.087 1.713 1
1 303 . 9 1 1 A 26 26 VAL H H 64 8.590 8.408 0.182 1
1 304 . 9 1 1 A 26 26 VAL HA H 64 3.480 3.903 -0.423 1
1 312 . 9 1 1 A 26 26 VAL C C 64 174.801 177.921 -3.120 1
1 313 . 9 1 1 A 26 26 VAL CA C 64 64.860 65.303 -0.443 1
1 314 . 9 1 1 A 26 26 VAL CB C 64 28.900 31.588 -2.688 1
1 317 . 9 1 1 A 26 26 VAL N N 64 120.990 116.104 4.886 1
1 318 . 9 1 1 A 27 27 GLU H H 65 8.090 8.176 -0.086 1
1 319 . 9 1 1 A 27 27 GLU HA H 65 3.970 3.691 0.279 1
1 324 . 9 1 1 A 27 27 GLU C C 65 176.169 179.039 -2.870 1
1 325 . 9 1 1 A 27 27 GLU CA C 65 56.990 59.251 -2.261 1
1 326 . 9 1 1 A 27 27 GLU CB C 65 26.540 29.338 -2.798 1
1 328 . 9 1 1 A 27 27 GLU N N 65 118.990 122.102 -3.112 1
1 329 . 9 1 1 A 28 28 PHE H H 66 8.075 7.888 0.187 1
1 330 . 9 1 1 A 28 28 PHE HA H 66 4.570 4.278 0.292 1
1 337 . 9 1 1 A 28 28 PHE C C 66 173.482 177.320 -3.838 1
1 338 . 9 1 1 A 28 28 PHE CA C 66 58.390 61.234 -2.844 1
1 339 . 9 1 1 A 28 28 PHE CB C 66 36.680 39.198 -2.518 1
1 340 . 9 1 1 A 28 28 PHE N N 66 119.000 120.578 -1.578 1
1 341 . 9 1 1 A 29 29 ALA H H 67 8.420 8.838 -0.418 1
1 342 . 9 1 1 A 29 29 ALA HA H 67 3.500 3.850 -0.350 1
1 346 . 9 1 1 A 29 29 ALA C C 67 176.624 180.340 -3.716 1
1 347 . 9 1 1 A 29 29 ALA CA C 67 52.800 55.004 -2.204 1
1 348 . 9 1 1 A 29 29 ALA CB C 67 15.290 18.273 -2.983 1
1 349 . 9 1 1 A 29 29 ALA N N 67 121.810 121.186 0.624 1
1 350 . 9 1 1 A 30 30 LYS H H 68 8.227 7.970 0.257 1
1 351 . 9 1 1 A 30 30 LYS HA H 68 4.090 4.057 0.033 1
1 360 . 9 1 1 A 30 30 LYS C C 68 177.400 179.009 -1.609 1
1 361 . 9 1 1 A 30 30 LYS CA C 68 56.700 58.896 -2.196 1
1 362 . 9 1 1 A 30 30 LYS CB C 68 31.230 31.388 -0.158 1
1 366 . 9 1 1 A 30 30 LYS N N 68 117.500 118.247 -0.747 1
1 367 . 9 1 1 A 31 31 ASP H H 69 7.820 8.108 -0.288 1
1 368 . 9 1 1 A 31 31 ASP HA H 69 4.210 4.722 -0.512 1
1 371 . 9 1 1 A 31 31 ASP C C 69 176.438 178.389 -1.951 1
1 372 . 9 1 1 A 31 31 ASP CA C 69 54.310 57.002 -2.692 1
1 373 . 9 1 1 A 31 31 ASP CB C 69 38.320 41.584 -3.264 1
1 374 . 9 1 1 A 31 31 ASP N N 69 120.370 120.136 0.234 1
1 375 . 9 1 1 A 32 32 GLU H H 70 8.840 8.365 0.475 1
1 376 . 9 1 1 A 32 32 GLU HA H 70 3.730 4.007 -0.277 1
1 381 . 9 1 1 A 32 32 GLU C C 70 176.119 177.517 -1.398 1
1 382 . 9 1 1 A 32 32 GLU CA C 70 55.270 58.990 -3.720 1
1 383 . 9 1 1 A 32 32 GLU CB C 70 26.810 29.309 -2.499 1
1 385 . 9 1 1 A 32 32 GLU N N 70 120.750 118.222 2.528 1
1 386 . 9 1 1 A 33 33 CYS H H 71 7.960 8.127 -0.167 1
1 387 . 9 1 1 A 33 33 CYS HA H 71 4.070 4.501 -0.431 1
1 390 . 9 1 1 A 33 33 CYS C C 71 170.993 174.766 -3.773 1
1 391 . 9 1 1 A 33 33 CYS CA C 71 58.160 59.131 -0.971 1
1 392 . 9 1 1 A 33 33 CYS CB C 71 26.000 28.020 -2.020 1
1 393 . 9 1 1 A 33 33 CYS N N 71 111.530 116.265 -4.735 1
1 394 . 9 1 1 A 34 34 HIS H H 72 7.560 8.030 -0.470 1
1 395 . 9 1 1 A 34 34 HIS HA H 72 4.040 4.256 -0.216 1
1 398 . 9 1 1 A 34 34 HIS C C 72 170.400 174.248 -3.848 1
1 399 . 9 1 1 A 34 34 HIS CA C 72 53.230 59.059 -5.829 1
1 400 . 9 1 1 A 34 34 HIS CB C 72 23.830 27.483 -3.653 1
1 401 . 9 1 1 A 34 34 HIS N N 72 118.100 115.654 2.446 1
1 402 . 9 1 1 A 35 35 ASN H H 73 7.590 7.823 -0.233 1
1 403 . 9 1 1 A 35 35 ASN HA H 73 4.805 4.976 -0.171 1
1 408 . 9 1 1 A 35 35 ASN C C 73 170.429 175.137 -4.708 1
1 409 . 9 1 1 A 35 35 ASN CA C 73 46.130 50.436 -4.306 1
1 410 . 9 1 1 A 35 35 ASN CB C 73 39.580 39.935 -0.355 1
1 411 . 9 1 1 A 35 35 ASN N N 73 112.400 116.795 -4.395 1
1 413 . 9 1 1 A 36 36 PRO HA H 74 4.120 3.976 0.144 1
1 420 . 9 1 1 A 36 36 PRO C C 74 173.450 176.624 -3.174 1
1 421 . 9 1 1 A 36 36 PRO CA C 74 59.950 62.877 -2.927 1
1 422 . 9 1 1 A 36 36 PRO CB C 74 29.200 32.064 -2.864 1
1 425 . 9 1 1 A 37 37 PHE H H 75 8.057 7.640 0.417 1
1 426 . 9 1 1 A 37 37 PHE HA H 75 4.200 4.192 0.008 1
1 432 . 9 1 1 A 37 37 PHE C C 75 171.107 174.710 -3.603 1
1 433 . 9 1 1 A 37 37 PHE CA C 75 55.120 58.644 -3.524 1
1 434 . 9 1 1 A 37 37 PHE CB C 75 33.760 36.343 -2.583 1
1 436 . 9 1 1 A 38 38 ILE H H 76 7.610 7.610 0.000 1
1 437 . 9 1 1 A 38 38 ILE HA H 76 4.870 4.818 0.052 1
1 447 . 9 1 1 A 38 38 ILE C C 76 174.180 174.050 0.130 1
1 448 . 9 1 1 A 38 38 ILE CA C 76 56.300 59.547 -3.247 1
1 449 . 9 1 1 A 38 38 ILE CB C 76 38.040 40.469 -2.429 1
1 453 . 9 1 1 A 38 38 ILE N N 76 113.800 119.646 -5.846 1
1 454 . 9 1 1 A 39 39 ASP H H 77 8.830 8.975 -0.145 1
1 455 . 9 1 1 A 39 39 ASP HA H 77 4.710 5.078 -0.368 1
1 458 . 9 1 1 A 39 39 ASP C C 77 175.969 176.640 -0.671 1
1 459 . 9 1 1 A 39 39 ASP CA C 77 49.800 52.141 -2.341 1
1 460 . 9 1 1 A 39 39 ASP CB C 77 39.180 43.935 -4.755 1
1 461 . 9 1 1 A 39 39 ASP N N 77 125.380 125.738 -0.358 1
1 462 . 9 1 1 A 40 40 LYS H H 78 8.370 8.729 -0.359 1
1 463 . 9 1 1 A 40 40 LYS HA H 78 4.100 4.108 -0.008 1
1 468 . 9 1 1 A 40 40 LYS C C 78 174.100 176.670 -2.570 1
1 469 . 9 1 1 A 40 40 LYS CA C 78 55.800 58.445 -2.645 1
1 470 . 9 1 1 A 40 40 LYS CB C 78 29.120 32.183 -3.063 1
1 471 . 9 1 1 A 40 40 LYS N N 78 116.800 124.089 -7.289 1
1 472 . 9 1 1 A 41 41 ASP H H 79 8.030 7.817 0.213 1
1 473 . 9 1 1 A 41 41 ASP HA H 79 4.810 4.811 -0.001 1
1 476 . 9 1 1 A 41 41 ASP C C 79 173.360 176.388 -3.028 1
1 477 . 9 1 1 A 41 41 ASP CA C 79 51.650 53.836 -2.186 1
1 478 . 9 1 1 A 41 41 ASP CB C 79 39.570 41.101 -1.531 1
1 479 . 9 1 1 A 41 41 ASP N N 79 118.660 118.015 0.645 1
1 480 . 9 1 1 A 42 42 GLY H H 80 8.090 8.579 -0.489 1
1 481 . 9 1 1 A 42 42 GLY HA2 H 80 4.230 3.935 0.295 1
1 482 . 9 1 1 A 42 42 GLY HA3 H 80 3.490 3.936 -0.446 1
1 483 . 9 1 1 A 42 42 GLY C C 80 171.399 174.143 -2.744 1
1 484 . 9 1 1 A 42 42 GLY CA C 80 42.720 46.040 -3.320 1
1 485 . 9 1 1 A 42 42 GLY N N 80 107.750 108.622 -0.872 1
1 486 . 9 1 1 A 43 43 ASN H H 81 8.470 8.059 0.411 1
1 487 . 9 1 1 A 43 43 ASN HA H 81 4.815 5.121 -0.306 1
1 492 . 9 1 1 A 43 43 ASN C C 81 172.066 174.977 -2.911 1
1 493 . 9 1 1 A 43 43 ASN CA C 81 49.580 52.391 -2.811 1
1 494 . 9 1 1 A 43 43 ASN CB C 81 36.800 40.489 -3.689 1
1 495 . 9 1 1 A 43 43 ASN N N 81 117.600 118.234 -0.634 1
1 497 . 9 1 1 A 44 44 GLU H H 82 8.730 8.412 0.318 1
1 498 . 9 1 1 A 44 44 GLU HA H 82 4.370 4.470 -0.100 1
1 503 . 9 1 1 A 44 44 GLU C C 82 173.651 175.852 -2.201 1
1 504 . 9 1 1 A 44 44 GLU CA C 82 55.170 56.694 -1.524 1
1 505 . 9 1 1 A 44 44 GLU CB C 82 27.740 30.055 -2.315 1
1 507 . 9 1 1 A 44 44 GLU N N 82 123.400 121.106 2.294 1
1 508 . 9 1 1 A 45 45 SER H H 83 8.960 8.915 0.045 1
1 509 . 9 1 1 A 45 45 SER HA H 83 4.510 5.012 -0.502 1
1 512 . 9 1 1 A 45 45 SER C C 83 170.100 173.426 -3.326 1
1 513 . 9 1 1 A 45 45 SER CA C 83 53.800 56.762 -2.962 1
1 514 . 9 1 1 A 45 45 SER CB C 83 60.320 64.469 -4.149 1
1 515 . 9 1 1 A 45 45 SER N N 83 123.400 117.810 5.590 1
1 516 . 9 1 1 A 46 46 ILE H H 84 8.990 9.074 -0.084 1
1 517 . 9 1 1 A 46 46 ILE HA H 84 3.880 4.842 -0.962 1
1 527 . 9 1 1 A 46 46 ILE C C 84 177.600 173.871 3.729 1
1 528 . 9 1 1 A 46 46 ILE CA C 84 55.490 58.093 -2.603 1
1 529 . 9 1 1 A 46 46 ILE CB C 84 34.850 39.017 -4.167 1
1 533 . 9 1 1 A 46 46 ILE N N 84 127.800 128.666 -0.866 1
1 534 . 9 1 1 A 47 47 PRO HA H 85 3.840 4.676 -0.836 1
1 541 . 9 1 1 A 47 47 PRO C C 85 172.918 177.454 -4.536 1
1 542 . 9 1 1 A 47 47 PRO CA C 85 61.880 62.508 -0.628 1
1 543 . 9 1 1 A 47 47 PRO CB C 85 34.920 33.156 1.764 1
1 546 . 9 1 1 A 48 48 SER H H 86 7.780 8.708 -0.928 1
1 547 . 9 1 1 A 48 48 SER C C 86 174.554 176.676 -2.122 1
1 548 . 9 1 1 A 49 49 GLY H H 87 8.230 8.387 -0.157 1
1 549 . 9 1 1 A 49 49 GLY HA2 H 87 4.300 3.689 0.611 1
1 550 . 9 1 1 A 49 49 GLY HA3 H 87 3.950 3.700 0.250 1
1 551 . 9 1 1 A 49 49 GLY C C 87 173.507 176.158 -2.651 1
1 552 . 9 1 1 A 49 49 GLY CA C 87 44.600 47.435 -2.835 1
1 553 . 9 1 1 A 49 49 GLY N N 87 105.900 108.953 -3.053 1
1 554 . 9 1 1 A 50 50 VAL H H 88 6.855 7.889 -1.034 1
1 555 . 9 1 1 A 50 50 VAL HA H 88 3.510 3.993 -0.483 1
1 563 . 9 1 1 A 50 50 VAL C C 88 174.450 178.008 -3.558 1
1 564 . 9 1 1 A 50 50 VAL CA C 88 62.420 65.887 -3.467 1
1 565 . 9 1 1 A 50 50 VAL CB C 88 28.000 31.135 -3.135 1
1 568 . 9 1 1 A 50 50 VAL N N 88 119.950 119.129 0.821 1
1 569 . 9 1 1 A 51 51 LEU H H 89 7.360 7.847 -0.487 1
1 570 . 9 1 1 A 51 51 LEU HA H 89 3.570 4.140 -0.570 1
1 580 . 9 1 1 A 51 51 LEU C C 89 175.078 178.387 -3.309 1
1 581 . 9 1 1 A 51 51 LEU CA C 89 55.490 58.097 -2.607 1
1 582 . 9 1 1 A 51 51 LEU CB C 89 37.320 41.647 -4.327 1
1 586 . 9 1 1 A 51 51 LEU N N 89 122.100 123.480 -1.380 1
1 587 . 9 1 1 A 52 52 ILE H H 90 7.770 8.097 -0.327 1
1 588 . 9 1 1 A 52 52 ILE HA H 90 3.600 3.872 -0.272 1
1 598 . 9 1 1 A 52 52 ILE C C 90 175.000 177.995 -2.995 1
1 599 . 9 1 1 A 52 52 ILE CA C 90 62.720 63.649 -0.929 1
1 600 . 9 1 1 A 52 52 ILE CB C 90 34.510 37.812 -3.302 1
1 604 . 9 1 1 A 52 52 ILE N N 90 117.460 119.406 -1.946 1
1 605 . 9 1 1 A 53 53 PHE H H 91 7.400 7.992 -0.592 1
1 606 . 9 1 1 A 53 53 PHE HA H 91 3.900 4.193 -0.293 1
1 613 . 9 1 1 A 53 53 PHE C C 91 172.073 176.927 -4.854 1
1 614 . 9 1 1 A 53 53 PHE CA C 91 59.340 61.412 -2.072 1
1 615 . 9 1 1 A 53 53 PHE CB C 91 35.540 38.953 -3.413 1
1 616 . 9 1 1 A 53 53 PHE N N 91 119.280 122.499 -3.219 1
1 617 . 9 1 1 A 54 54 VAL H H 92 8.450 8.224 0.226 1
1 618 . 9 1 1 A 54 54 VAL HA H 92 2.850 3.548 -0.698 1
1 626 . 9 1 1 A 54 54 VAL C C 92 174.300 177.895 -3.595 1
1 627 . 9 1 1 A 54 54 VAL CA C 92 63.860 65.358 -1.498 1
1 628 . 9 1 1 A 54 54 VAL CB C 92 28.570 31.051 -2.481 1
1 631 . 9 1 1 A 54 54 VAL N N 92 119.170 118.073 1.097 1
1 632 . 9 1 1 A 55 55 ALA H H 93 8.615 7.989 0.626 1
1 633 . 9 1 1 A 55 55 ALA HA H 93 3.750 3.978 -0.228 1
1 637 . 9 1 1 A 55 55 ALA C C 93 176.294 180.131 -3.837 1
1 638 . 9 1 1 A 55 55 ALA CA C 93 52.800 55.478 -2.678 1
1 639 . 9 1 1 A 55 55 ALA CB C 93 16.050 18.334 -2.284 1
1 640 . 9 1 1 A 55 55 ALA N N 93 120.170 123.508 -3.338 1
1 641 . 9 1 1 A 56 56 LYS H H 94 8.548 7.895 0.653 1
1 642 . 9 1 1 A 56 56 LYS HA H 94 3.980 4.082 -0.102 1
1 649 . 9 1 1 A 56 56 LYS C C 94 177.600 179.398 -1.798 1
1 650 . 9 1 1 A 56 56 LYS CA C 94 55.800 59.128 -3.328 1
1 651 . 9 1 1 A 56 56 LYS CB C 94 29.500 31.769 -2.269 1
1 654 . 9 1 1 A 56 56 LYS N N 94 115.200 117.280 -2.080 1
1 655 . 9 1 1 A 57 57 ALA H H 95 8.840 7.898 0.942 1
1 656 . 9 1 1 A 57 57 ALA HA H 95 3.940 3.995 -0.055 1
1 660 . 9 1 1 A 57 57 ALA C C 95 175.754 180.075 -4.321 1
1 661 . 9 1 1 A 57 57 ALA CA C 95 52.670 55.050 -2.380 1
1 662 . 9 1 1 A 57 57 ALA CB C 95 16.070 18.055 -1.985 1
1 663 . 9 1 1 A 57 57 ALA N N 95 124.210 122.457 1.753 1
1 664 . 9 1 1 A 58 58 ALA H H 96 8.816 7.534 1.282 1
1 665 . 9 1 1 A 58 58 ALA HA H 96 4.043 4.111 -0.068 1
1 669 . 9 1 1 A 58 58 ALA C C 96 177.600 179.991 -2.391 1
1 670 . 9 1 1 A 58 58 ALA CA C 96 52.770 54.711 -1.941 1
1 671 . 9 1 1 A 58 58 ALA CB C 96 13.560 18.411 -4.851 1
1 672 . 9 1 1 A 58 58 ALA N N 96 120.500 120.006 0.494 1
1 673 . 9 1 1 A 59 59 GLN H H 97 8.490 7.867 0.623 1
1 674 . 9 1 1 A 59 59 GLN HA H 97 3.960 4.068 -0.108 1
1 681 . 9 1 1 A 59 59 GLN C C 97 175.100 178.271 -3.171 1
1 682 . 9 1 1 A 59 59 GLN CA C 97 56.370 58.922 -2.552 1
1 683 . 9 1 1 A 59 59 GLN CB C 97 26.500 28.179 -1.679 1
1 684 . 9 1 1 A 59 59 GLN N N 97 118.750 119.108 -0.358 1
1 686 . 9 1 1 A 60 60 PHE H H 98 8.020 7.993 0.027 1
1 687 . 9 1 1 A 60 60 PHE HA H 98 4.120 4.258 -0.138 1
1 694 . 9 1 1 A 60 60 PHE C C 98 174.780 177.254 -2.474 1
1 695 . 9 1 1 A 60 60 PHE CA C 98 58.650 61.541 -2.891 1
1 696 . 9 1 1 A 60 60 PHE CB C 98 35.240 39.692 -4.452 1
1 697 . 9 1 1 A 60 60 PHE N N 98 122.380 120.545 1.835 1
1 698 . 9 1 1 A 61 61 TYR H H 99 7.900 8.081 -0.181 1
1 699 . 9 1 1 A 61 61 TYR HA H 99 3.900 4.349 -0.449 1
1 704 . 9 1 1 A 61 61 TYR C C 99 175.494 178.041 -2.547 1
1 705 . 9 1 1 A 61 61 TYR CA C 99 60.600 61.668 -1.068 1
1 706 . 9 1 1 A 61 61 TYR CB C 99 36.120 38.495 -2.375 1
1 707 . 9 1 1 A 61 61 TYR N N 99 118.100 119.918 -1.818 1
1 708 . 9 1 1 A 62 62 MET H H 100 8.170 8.618 -0.448 1
1 709 . 9 1 1 A 62 62 MET HA H 100 3.810 4.276 -0.466 1
1 717 . 9 1 1 A 62 62 MET C C 100 175.130 179.109 -3.979 1
1 718 . 9 1 1 A 62 62 MET CA C 100 56.270 58.134 -1.864 1
1 719 . 9 1 1 A 62 62 MET CB C 100 31.260 32.492 -1.232 1
1 722 . 9 1 1 A 62 62 MET N N 100 118.350 118.919 -0.569 1
1 723 . 9 1 1 A 63 63 THR H H 101 7.720 8.060 -0.340 1
1 724 . 9 1 1 A 63 63 THR HA H 101 4.120 3.954 0.166 1
1 729 . 9 1 1 A 63 63 THR C C 101 172.265 176.343 -4.078 1
1 730 . 9 1 1 A 63 63 THR CA C 101 60.060 66.264 -6.204 1
1 731 . 9 1 1 A 63 63 THR CB C 101 66.880 68.893 -2.013 1
1 733 . 9 1 1 A 63 63 THR N N 101 110.720 115.689 -4.969 1
1 734 . 9 1 1 A 64 64 ASN H H 102 7.620 7.825 -0.205 1
1 735 . 9 1 1 A 64 64 ASN HA H 102 4.541 4.712 -0.171 1
1 740 . 9 1 1 A 64 64 ASN C C 102 172.591 177.357 -4.766 1
1 741 . 9 1 1 A 64 64 ASN CA C 102 51.480 55.419 -3.939 1
1 742 . 9 1 1 A 64 64 ASN CB C 102 36.830 38.952 -2.122 1
1 743 . 9 1 1 A 64 64 ASN N N 102 114.000 117.158 -3.158 1
1 745 . 9 1 1 A 65 65 ALA H H 103 8.060 8.116 -0.056 1
1 746 . 9 1 1 A 65 65 ALA HA H 103 4.183 4.054 0.129 1
1 750 . 9 1 1 A 65 65 ALA C C 103 176.032 178.023 -1.991 1
1 751 . 9 1 1 A 65 65 ALA CA C 103 51.130 53.057 -1.927 1
1 752 . 9 1 1 A 65 65 ALA CB C 103 16.230 17.554 -1.324 1
1 753 . 9 1 1 A 65 65 ALA N N 103 123.910 121.456 2.454 1
1 754 . 9 1 1 A 66 66 GLY H H 104 8.220 8.721 -0.501 1
1 755 . 9 1 1 A 66 66 GLY HA2 H 104 3.883 3.948 -0.065 1
1 756 . 9 1 1 A 66 66 GLY C C 104 172.222 175.108 -2.886 1
1 757 . 9 1 1 A 66 66 GLY CA C 104 43.170 45.393 -2.223 1
1 758 . 9 1 1 A 66 66 GLY N N 104 106.420 107.478 -1.058 1
1 759 . 9 1 1 A 67 67 LEU H H 105 7.890 7.746 0.144 1
1 760 . 9 1 1 A 67 67 LEU HA H 105 4.290 4.543 -0.253 1
1 770 . 9 1 1 A 67 67 LEU C C 105 175.406 178.038 -2.632 1
1 771 . 9 1 1 A 67 67 LEU CA C 105 53.110 55.506 -2.396 1
1 772 . 9 1 1 A 67 67 LEU CB C 105 39.740 42.877 -3.137 1
1 776 . 9 1 1 A 67 67 LEU N N 105 120.570 117.513 3.057 1
1 777 . 9 1 1 A 68 68 THR H H 106 7.940 8.192 -0.252 1
1 778 . 9 1 1 A 68 68 THR HA H 106 4.330 3.966 0.364 1
1 783 . 9 1 1 A 68 68 THR C C 106 172.806 176.270 -3.464 1
1 784 . 9 1 1 A 68 68 THR CA C 106 59.700 65.488 -5.788 1
1 785 . 9 1 1 A 68 68 THR CB C 106 67.140 68.700 -1.560 1
1 787 . 9 1 1 A 68 68 THR N N 106 111.750 114.309 -2.559 1
1 788 . 9 1 1 A 69 69 GLY H H 107 8.340 8.109 0.231 1
1 789 . 9 1 1 A 69 69 GLY HA2 H 107 3.940 3.673 0.267 1
1 790 . 9 1 1 A 69 69 GLY C C 107 171.503 173.358 -1.855 1
1 791 . 9 1 1 A 69 69 GLY CA C 107 42.990 45.292 -2.302 1
1 792 . 9 1 1 A 69 69 GLY N N 107 110.910 106.867 4.043 1
1 793 . 9 1 1 A 70 70 ARG H H 108 7.930 7.550 0.380 1
1 794 . 9 1 1 A 70 70 ARG HA H 108 4.355 4.405 -0.050 1
1 801 . 9 1 1 A 70 70 ARG C C 108 173.543 175.553 -2.010 1
1 802 . 9 1 1 A 70 70 ARG CA C 108 53.170 55.765 -2.595 1
1 803 . 9 1 1 A 70 70 ARG CB C 108 28.470 33.032 -4.562 1
1 806 . 9 1 1 A 70 70 ARG N N 108 119.900 119.700 0.200 1
1 807 . 9 1 1 A 71 71 SER H H 109 8.400 8.735 -0.335 1
1 808 . 9 1 1 A 71 71 SER HA H 109 4.409 4.416 -0.007 1
1 811 . 9 1 1 A 71 71 SER C C 109 172.430 173.990 -1.560 1
1 812 . 9 1 1 A 71 71 SER CA C 109 55.630 59.603 -3.973 1
1 813 . 9 1 1 A 71 71 SER CB C 109 61.060 60.997 0.063 1
1 814 . 9 1 1 A 71 71 SER N N 109 116.970 121.247 -4.277 1
1 815 . 9 1 1 A 72 72 MET H H 110 8.590 8.303 0.287 1
1 816 . 9 1 1 A 72 72 MET HA H 110 4.394 4.102 0.292 1
1 822 . 9 1 1 A 72 72 MET C C 110 173.487 175.157 -1.670 1
1 823 . 9 1 1 A 72 72 MET CA C 110 53.320 56.672 -3.352 1
1 824 . 9 1 1 A 72 72 MET CB C 110 29.300 30.830 -1.530 1
1 825 . 9 1 1 A 72 72 MET N N 110 122.250 116.218 6.032 1
1 826 . 9 1 1 A 73 73 ASP H H 111 8.260 8.400 -0.140 1
1 827 . 9 1 1 A 73 73 ASP HA H 111 4.514 4.843 -0.329 1
1 830 . 9 1 1 A 73 73 ASP C C 111 173.886 176.205 -2.319 1
1 831 . 9 1 1 A 73 73 ASP CA C 111 52.150 53.599 -1.449 1
1 832 . 9 1 1 A 73 73 ASP CB C 111 38.310 38.698 -0.388 1
1 833 . 9 1 1 A 73 73 ASP N N 111 119.420 118.297 1.123 1
1 834 . 9 1 1 A 74 74 THR H H 112 7.900 8.185 -0.285 1
1 835 . 9 1 1 A 74 74 THR HA H 112 4.142 4.345 -0.203 1
1 840 . 9 1 1 A 74 74 THR C C 112 172.029 174.838 -2.809 1
1 841 . 9 1 1 A 74 74 THR CA C 112 59.640 65.022 -5.382 1
1 842 . 9 1 1 A 74 74 THR CB C 112 66.820 66.833 -0.013 1
1 844 . 9 1 1 A 74 74 THR N N 112 112.950 113.192 -0.242 1
1 845 . 9 1 1 A 75 75 VAL H H 113 7.840 8.404 -0.564 1
1 846 . 9 1 1 A 75 75 VAL HA H 113 3.950 4.304 -0.354 1
1 854 . 9 1 1 A 75 75 VAL C C 113 173.067 176.271 -3.204 1
1 855 . 9 1 1 A 75 75 VAL CA C 113 60.070 64.015 -3.945 1
1 856 . 9 1 1 A 75 75 VAL CB C 113 29.740 31.360 -1.620 1
1 859 . 9 1 1 A 75 75 VAL N N 113 121.540 121.626 -0.086 1
1 860 . 9 1 1 A 76 76 SER H H 114 8.020 7.957 0.063 1
1 861 . 9 1 1 A 76 76 SER HA H 114 3.974 4.323 -0.349 1
1 864 . 9 1 1 A 76 76 SER C C 114 171.259 174.103 -2.844 1
1 865 . 9 1 1 A 76 76 SER CA C 114 55.100 57.105 -2.005 1
1 866 . 9 1 1 A 76 76 SER CB C 114 61.160 63.483 -2.323 1
1 867 . 9 1 1 A 76 76 SER N N 114 117.830 117.836 -0.006 1
1 868 . 9 1 1 A 77 77 TYR H H 115 7.770 8.195 -0.425 1
1 869 . 9 1 1 A 77 77 TYR HA H 115 4.240 4.449 -0.209 1
1 874 . 9 1 1 A 77 77 TYR C C 115 172.865 175.045 -2.180 1
1 875 . 9 1 1 A 77 77 TYR CA C 115 55.100 59.355 -4.255 1
1 876 . 9 1 1 A 77 77 TYR CB C 115 36.110 37.602 -1.492 1
1 877 . 9 1 1 A 77 77 TYR N N 115 121.280 121.068 0.212 1
1 878 . 9 1 1 A 78 78 ASN HA H 116 4.790 4.547 0.243 1
1 883 . 9 1 1 A 78 78 ASN C C 116 172.080 176.467 -4.387 1
1 884 . 9 1 1 A 78 78 ASN CA C 116 48.910 53.838 -4.928 1
1 885 . 9 1 1 A 78 78 ASN CB C 116 35.500 40.895 -5.395 1
1 886 . 9 1 1 A 78 78 ASN N N 116 112.900 116.563 -3.663 1
1 887 . 9 1 1 A 79 79 PHE H H 117 7.410 6.915 0.495 1
1 888 . 9 1 1 A 79 79 PHE HA H 117 4.440 4.030 0.410 1
1 895 . 9 1 1 A 79 79 PHE C C 117 174.370 177.656 -3.286 1
1 896 . 9 1 1 A 79 79 PHE CA C 117 56.890 59.625 -2.735 1
1 897 . 9 1 1 A 79 79 PHE CB C 117 34.540 38.201 -3.661 1
1 898 . 9 1 1 A 79 79 PHE N N 117 121.190 118.338 2.852 1
1 899 . 9 1 1 A 80 80 ALA H H 118 8.560 7.857 0.703 1
1 900 . 9 1 1 A 80 80 ALA HA H 118 4.140 4.237 -0.097 1
1 904 . 9 1 1 A 80 80 ALA C C 118 176.482 178.878 -2.396 1
1 905 . 9 1 1 A 80 80 ALA CA C 118 52.430 53.856 -1.426 1
1 906 . 9 1 1 A 80 80 ALA CB C 118 16.160 19.029 -2.869 1
1 907 . 9 1 1 A 80 80 ALA N N 118 115.100 121.161 -6.061 1
1 908 . 9 1 1 A 81 81 THR H H 119 7.330 7.493 -0.163 1
1 909 . 9 1 1 A 81 81 THR HA H 119 4.450 4.238 0.212 1
1 914 . 9 1 1 A 81 81 THR C C 119 172.909 174.110 -1.201 1
1 915 . 9 1 1 A 81 81 THR CA C 119 59.270 62.672 -3.402 1
1 916 . 9 1 1 A 81 81 THR CB C 119 66.770 70.118 -3.348 1
1 918 . 9 1 1 A 81 81 THR N N 119 104.710 108.285 -3.575 1
1 919 . 9 1 1 A 82 82 GLU H H 120 7.890 7.928 -0.038 1
1 920 . 9 1 1 A 82 82 GLU HA H 120 4.260 4.696 -0.436 1
1 924 . 9 1 1 A 82 82 GLU C C 120 177.060 175.739 1.321 1
1 925 . 9 1 1 A 82 82 GLU CA C 120 54.740 58.661 -3.921 1
1 926 . 9 1 1 A 82 82 GLU N N 120 120.760 117.108 3.652 1
1 927 . 9 1 1 A 83 83 ILE H H 121 7.630 8.098 -0.468 1
1 928 . 9 1 1 A 83 83 ILE HA H 121 3.330 2.657 0.673 1
1 938 . 9 1 1 A 83 83 ILE CA C 121 57.580 57.965 -0.385 1
1 939 . 9 1 1 A 83 83 ILE CB C 121 35.770 37.554 -1.784 1
1 943 . 9 1 1 A 83 83 ILE N N 121 118.900 118.757 0.143 1
1 944 . 9 1 1 A 84 84 PRO HA H 122 4.200 4.507 -0.307 1
1 951 . 9 1 1 A 84 84 PRO CA C 122 60.510 62.448 -1.938 1
1 952 . 9 1 1 A 84 84 PRO CB C 122 27.260 31.459 -4.199 1
1 955 . 9 1 1 A 86 86 THR HA H 124 3.869 4.005 -0.136 1
1 960 . 9 1 1 A 86 86 THR C C 124 172.991 176.377 -3.386 1
1 961 . 9 1 1 A 86 86 THR CA C 124 61.980 65.986 -4.006 1
1 962 . 9 1 1 A 86 86 THR CB C 124 65.710 68.705 -2.995 1
1 964 . 9 1 1 A 87 87 ILE H H 125 7.340 7.324 0.016 1
1 965 . 9 1 1 A 87 87 ILE HA H 125 3.920 3.787 0.133 1
1 975 . 9 1 1 A 87 87 ILE C C 125 175.375 178.320 -2.945 1
1 976 . 9 1 1 A 87 87 ILE CA C 125 61.900 64.389 -2.489 1
1 977 . 9 1 1 A 87 87 ILE CB C 125 35.690 36.936 -1.246 1
1 981 . 9 1 1 A 87 87 ILE N N 125 120.800 121.354 -0.554 1
1 982 . 9 1 1 A 88 88 LEU HA H 126 4.070 3.972 0.098 1
1 992 . 9 1 1 A 88 88 LEU C C 126 177.060 178.821 -1.761 1
1 993 . 9 1 1 A 88 88 LEU CA C 126 55.950 58.011 -2.061 1
1 994 . 9 1 1 A 88 88 LEU CB C 126 39.710 41.428 -1.718 1
1 998 . 9 1 1 A 89 89 LYS H H 127 8.095 8.076 0.019 1
1 999 . 9 1 1 A 89 89 LYS HA H 127 4.030 3.891 0.139 1
1 1008 . 9 1 1 A 89 89 LYS C C 127 176.400 179.102 -2.702 1
1 1009 . 9 1 1 A 89 89 LYS CA C 127 56.010 59.568 -3.558 1
1 1010 . 9 1 1 A 89 89 LYS CB C 127 29.650 32.191 -2.541 1
1 1014 . 9 1 1 A 89 89 LYS N N 127 116.100 119.530 -3.430 1
1 1015 . 9 1 1 A 90 90 LYS H H 128 7.848 7.524 0.324 1
1 1016 . 9 1 1 A 90 90 LYS HA H 128 4.160 4.040 0.120 1
1 1019 . 9 1 1 A 90 90 LYS C C 128 174.859 179.299 -4.440 1
1 1020 . 9 1 1 A 90 90 LYS CA C 128 54.750 58.055 -3.305 1
1 1021 . 9 1 1 A 90 90 LYS CB C 128 29.280 32.348 -3.068 1
1 1022 . 9 1 1 A 90 90 LYS N N 128 119.230 119.372 -0.142 1
1 1023 . 9 1 1 A 91 91 LEU H H 129 7.640 7.063 0.577 1
1 1024 . 9 1 1 A 91 91 LEU HA H 129 4.250 2.744 1.506 1
1 1034 . 9 1 1 A 91 91 LEU CA C 129 52.280 56.868 -4.588 1
1 1035 . 9 1 1 A 91 91 LEU CB C 129 39.000 40.793 -1.793 1
1 1039 . 9 1 1 A 91 91 LEU N N 129 112.650 121.209 -8.559 1
1 1040 . 9 1 1 A 92 92 ASN H H 130 7.560 7.358 0.202 1
1 1041 . 9 1 1 A 92 92 ASN HA H 130 4.300 3.364 0.936 1
1 1046 . 9 1 1 A 92 92 ASN C C 130 172.034 176.388 -4.354 1
1 1047 . 9 1 1 A 92 92 ASN CA C 130 55.070 53.294 1.776 1
1 1048 . 9 1 1 A 92 92 ASN CB C 130 32.670 38.622 -5.952 1
1 1049 . 9 1 1 A 92 92 ASN N N 130 111.100 116.024 -4.924 1
1 1051 . 9 1 1 A 93 93 PRO HA H 131 4.220 4.373 -0.153 1
1 1058 . 9 1 1 A 93 93 PRO C C 131 173.540 177.190 -3.650 1
1 1059 . 9 1 1 A 93 93 PRO CA C 131 62.300 63.907 -1.607 1
1 1060 . 9 1 1 A 93 93 PRO CB C 131 28.140 31.992 -3.852 1
1 1062 . 9 1 1 A 94 94 TYR H H 132 7.630 7.995 -0.365 1
1 1063 . 9 1 1 A 94 94 TYR HA H 132 4.630 4.498 0.132 1
1 1068 . 9 1 1 A 94 94 TYR C C 132 172.700 174.759 -2.059 1
1 1069 . 9 1 1 A 94 94 TYR CA C 132 54.130 57.809 -3.679 1
1 1070 . 9 1 1 A 94 94 TYR CB C 132 36.500 39.774 -3.274 1
1 1071 . 9 1 1 A 94 94 TYR N N 132 114.100 118.282 -4.182 1
1 1072 . 9 1 1 A 95 95 ARG H H 133 7.250 8.583 -1.333 1
1 1073 . 9 1 1 A 95 95 ARG HA H 133 4.290 4.962 -0.672 1
1 1081 . 9 1 1 A 95 95 ARG C C 133 173.763 175.871 -2.108 1
1 1082 . 9 1 1 A 95 95 ARG CA C 133 54.740 54.978 -0.238 1
1 1083 . 9 1 1 A 95 95 ARG CB C 133 27.880 31.438 -3.558 1
1 1086 . 9 1 1 A 95 95 ARG N N 133 119.390 121.332 -1.942 1
1 1088 . 9 1 1 A 96 96 LYS H H 134 8.658 8.592 0.066 1
1 1089 . 9 1 1 A 96 96 LYS HA H 134 4.490 4.260 0.230 1
1 1098 . 9 1 1 A 96 96 LYS C C 134 173.560 176.545 -2.985 1
1 1099 . 9 1 1 A 96 96 LYS CA C 134 52.580 57.544 -4.964 1
1 1100 . 9 1 1 A 96 96 LYS CB C 134 30.590 33.637 -3.047 1
1 1104 . 9 1 1 A 96 96 LYS N N 134 125.000 126.053 -1.053 1
1 1105 . 9 1 1 A 97 97 MET H H 135 8.330 8.351 -0.021 1
1 1106 . 9 1 1 A 97 97 MET HA H 135 4.420 4.323 0.097 1
1 1114 . 9 1 1 A 97 97 MET C C 135 172.970 175.551 -2.581 1
1 1115 . 9 1 1 A 97 97 MET CA C 135 52.490 58.351 -5.861 1
1 1116 . 9 1 1 A 97 97 MET CB C 135 30.530 30.637 -0.107 1
1 1118 . 9 1 1 A 97 97 MET N N 135 120.890 119.049 1.841 1
1 1119 . 9 1 1 A 98 98 ALA H H 136 8.290 8.358 -0.068 1
1 1120 . 9 1 1 A 98 98 ALA HA H 136 4.180 4.192 -0.012 1
1 1124 . 9 1 1 A 98 98 ALA C C 136 173.767 176.089 -2.322 1
1 1125 . 9 1 1 A 98 98 ALA CA C 136 49.750 54.428 -4.678 1
1 1126 . 9 1 1 A 98 98 ALA CB C 136 16.350 17.899 -1.549 1
1 1127 . 9 1 1 A 98 98 ALA N N 136 126.050 119.488 6.562 1
1 1 . 10 1 1 A 3 3 VAL HA H 41 3.360 3.939 -0.579 1
1 9 . 10 1 1 A 3 3 VAL CA C 41 64.070 64.531 -0.461 1
1 10 . 10 1 1 A 3 3 VAL CB C 41 28.620 31.912 -3.292 1
1 13 . 10 1 1 A 4 4 LYS H H 42 8.223 8.154 0.069 1
1 14 . 10 1 1 A 4 4 LYS HA H 42 3.610 4.042 -0.432 1
1 21 . 10 1 1 A 4 4 LYS C C 42 175.928 178.183 -2.255 1
1 22 . 10 1 1 A 4 4 LYS CA C 42 58.640 58.741 -0.101 1
1 23 . 10 1 1 A 4 4 LYS CB C 42 28.640 31.851 -3.211 1
1 25 . 10 1 1 A 4 4 LYS N N 42 118.080 120.173 -2.093 1
1 26 . 10 1 1 A 5 5 ARG H H 43 7.920 7.598 0.322 1
1 27 . 10 1 1 A 5 5 ARG HA H 43 4.060 4.076 -0.016 1
1 34 . 10 1 1 A 5 5 ARG C C 43 177.798 178.936 -1.138 1
1 35 . 10 1 1 A 5 5 ARG CA C 43 56.640 58.447 -1.807 1
1 36 . 10 1 1 A 5 5 ARG CB C 43 27.200 30.225 -3.025 1
1 38 . 10 1 1 A 5 5 ARG N N 43 117.720 119.138 -1.418 1
1 39 . 10 1 1 A 6 6 LEU H H 44 7.660 7.997 -0.337 1
1 40 . 10 1 1 A 6 6 LEU HA H 44 4.100 3.909 0.191 1
1 50 . 10 1 1 A 6 6 LEU C C 44 176.114 178.977 -2.863 1
1 51 . 10 1 1 A 6 6 LEU CA C 44 55.100 57.857 -2.757 1
1 52 . 10 1 1 A 6 6 LEU CB C 44 39.570 41.657 -2.087 1
1 56 . 10 1 1 A 6 6 LEU N N 44 121.040 120.066 0.974 1
1 57 . 10 1 1 A 7 7 LEU H H 45 7.520 7.849 -0.329 1
1 58 . 10 1 1 A 7 7 LEU HA H 45 4.350 4.255 0.095 1
1 68 . 10 1 1 A 7 7 LEU C C 45 172.937 179.210 -6.273 1
1 69 . 10 1 1 A 7 7 LEU CA C 45 51.480 56.251 -4.771 1
1 70 . 10 1 1 A 7 7 LEU CB C 45 40.300 42.239 -1.939 1
1 74 . 10 1 1 A 7 7 LEU N N 45 116.660 115.538 1.122 1
1 75 . 10 1 1 A 8 8 SER H H 46 7.840 8.583 -0.743 1
1 76 . 10 1 1 A 8 8 SER HA H 46 3.960 4.335 -0.375 1
1 79 . 10 1 1 A 8 8 SER CA C 46 56.360 61.861 -5.501 1
1 80 . 10 1 1 A 8 8 SER CB C 46 58.870 63.251 -4.381 1
1 81 . 10 1 1 A 8 8 SER N N 46 113.750 116.393 -2.643 1
1 82 . 10 1 1 A 9 9 ILE H H 47 8.290 7.495 0.795 1
1 83 . 10 1 1 A 9 9 ILE HA H 47 4.230 4.352 -0.122 1
1 93 . 10 1 1 A 9 9 ILE C C 47 174.540 176.204 -1.664 1
1 94 . 10 1 1 A 9 9 ILE CA C 47 58.680 62.879 -4.199 1
1 95 . 10 1 1 A 9 9 ILE CB C 47 36.912 38.573 -1.661 1
1 99 . 10 1 1 A 9 9 ILE N N 47 119.850 118.788 1.062 1
1 100 . 10 1 1 A 10 10 THR H H 48 8.760 7.786 0.974 1
1 101 . 10 1 1 A 10 10 THR HA H 48 4.465 4.395 0.070 1
1 106 . 10 1 1 A 10 10 THR C C 48 171.266 174.498 -3.232 1
1 107 . 10 1 1 A 10 10 THR CA C 48 58.390 61.695 -3.305 1
1 108 . 10 1 1 A 10 10 THR CB C 48 66.310 66.340 -0.030 1
1 110 . 10 1 1 A 10 10 THR N N 48 117.590 114.966 2.624 1
1 111 . 10 1 1 A 11 11 ASN H H 49 7.360 7.946 -0.586 1
1 112 . 10 1 1 A 11 11 ASN HA H 49 4.909 4.864 0.045 1
1 117 . 10 1 1 A 11 11 ASN C C 49 172.506 174.684 -2.178 1
1 118 . 10 1 1 A 11 11 ASN CA C 49 49.430 54.014 -4.584 1
1 119 . 10 1 1 A 11 11 ASN CB C 49 37.420 41.295 -3.875 1
1 120 . 10 1 1 A 11 11 ASN N N 49 113.560 121.168 -7.608 1
1 122 . 10 1 1 A 12 12 ASP H H 50 8.256 8.780 -0.524 1
1 123 . 10 1 1 A 12 12 ASP HA H 50 4.650 4.334 0.316 1
1 126 . 10 1 1 A 12 12 ASP C C 50 176.400 177.862 -1.462 1
1 127 . 10 1 1 A 12 12 ASP CA C 50 51.210 55.336 -4.126 1
1 128 . 10 1 1 A 12 12 ASP CB C 50 38.080 40.839 -2.759 1
1 129 . 10 1 1 A 12 12 ASP N N 50 117.210 120.243 -3.033 1
1 130 . 10 1 1 A 13 13 LYS H H 51 7.895 8.016 -0.121 1
1 131 . 10 1 1 A 13 13 LYS HA H 51 3.840 4.124 -0.284 1
1 140 . 10 1 1 A 13 13 LYS C C 51 174.700 176.914 -2.214 1
1 141 . 10 1 1 A 13 13 LYS CA C 51 56.320 57.211 -0.891 1
1 142 . 10 1 1 A 13 13 LYS CB C 51 29.760 32.652 -2.892 1
1 146 . 10 1 1 A 13 13 LYS N N 51 120.500 122.176 -1.676 1
1 147 . 10 1 1 A 14 14 HIS H H 52 9.000 7.532 1.468 1
1 148 . 10 1 1 A 14 14 HIS HA H 52 5.120 5.067 0.053 1
1 152 . 10 1 1 A 14 14 HIS C C 52 173.200 175.516 -2.316 1
1 153 . 10 1 1 A 14 14 HIS CA C 52 52.370 55.221 -2.851 1
1 154 . 10 1 1 A 14 14 HIS CB C 52 27.520 29.974 -2.454 1
1 155 . 10 1 1 A 14 14 HIS N N 52 116.200 116.562 -0.362 1
1 156 . 10 1 1 A 15 15 ASP H H 53 7.640 8.400 -0.760 1
1 157 . 10 1 1 A 15 15 ASP HA H 53 4.120 4.192 -0.072 1
1 160 . 10 1 1 A 15 15 ASP C C 53 176.183 178.778 -2.595 1
1 161 . 10 1 1 A 15 15 ASP CA C 53 56.060 57.045 -0.985 1
1 162 . 10 1 1 A 15 15 ASP CB C 53 36.350 39.702 -3.352 1
1 163 . 10 1 1 A 15 15 ASP N N 53 122.780 119.776 3.004 1
1 164 . 10 1 1 A 16 16 GLU H H 54 8.890 8.436 0.454 1
1 165 . 10 1 1 A 16 16 GLU HA H 54 4.020 4.075 -0.055 1
1 170 . 10 1 1 A 16 16 GLU CA C 54 57.770 59.417 -1.647 1
1 171 . 10 1 1 A 16 16 GLU CB C 54 26.330 29.147 -2.817 1
1 173 . 10 1 1 A 16 16 GLU N N 54 122.770 118.801 3.969 1
1 174 . 10 1 1 A 17 17 TYR H H 55 8.130 8.381 -0.251 1
1 175 . 10 1 1 A 17 17 TYR HA H 55 4.390 4.178 0.212 1
1 180 . 10 1 1 A 17 17 TYR C C 55 175.213 177.376 -2.163 1
1 181 . 10 1 1 A 17 17 TYR CA C 55 58.150 61.028 -2.878 1
1 182 . 10 1 1 A 17 17 TYR CB C 55 36.000 38.943 -2.943 1
1 185 . 10 1 1 A 17 17 TYR N N 55 121.000 121.463 -0.463 1
1 186 . 10 1 1 A 18 18 LEU H H 56 8.740 7.922 0.818 1
1 187 . 10 1 1 A 18 18 LEU HA H 56 3.710 3.883 -0.173 1
1 197 . 10 1 1 A 18 18 LEU C C 56 175.500 177.950 -2.450 1
1 198 . 10 1 1 A 18 18 LEU CA C 56 55.470 58.247 -2.777 1
1 199 . 10 1 1 A 18 18 LEU CB C 56 39.920 41.556 -1.636 1
1 203 . 10 1 1 A 18 18 LEU N N 56 118.100 121.235 -3.135 1
1 204 . 10 1 1 A 19 19 THR H H 57 8.420 8.067 0.353 1
1 205 . 10 1 1 A 19 19 THR HA H 57 3.820 3.844 -0.024 1
1 210 . 10 1 1 A 19 19 THR C C 57 172.234 176.750 -4.516 1
1 211 . 10 1 1 A 19 19 THR CA C 57 64.220 65.901 -1.681 1
1 212 . 10 1 1 A 19 19 THR CB C 57 66.050 68.213 -2.163 1
1 214 . 10 1 1 A 19 19 THR N N 57 114.940 111.530 3.410 1
1 215 . 10 1 1 A 20 20 GLU H H 58 7.087 8.251 -1.164 1
1 216 . 10 1 1 A 20 20 GLU HA H 58 4.320 3.760 0.560 1
1 221 . 10 1 1 A 20 20 GLU C C 58 175.554 178.208 -2.654 1
1 222 . 10 1 1 A 20 20 GLU CA C 58 55.170 59.554 -4.384 1
1 223 . 10 1 1 A 20 20 GLU CB C 58 27.920 29.113 -1.193 1
1 225 . 10 1 1 A 20 20 GLU N N 58 117.800 122.362 -4.562 1
1 226 . 10 1 1 A 21 21 MET H H 59 8.320 7.515 0.805 1
1 227 . 10 1 1 A 21 21 MET HA H 59 4.330 2.808 1.522 1
1 235 . 10 1 1 A 21 21 MET C C 59 175.330 177.929 -2.599 1
1 236 . 10 1 1 A 21 21 MET CA C 59 54.270 57.560 -3.290 1
1 237 . 10 1 1 A 21 21 MET CB C 59 30.620 31.634 -1.014 1
1 240 . 10 1 1 A 21 21 MET N N 59 116.300 118.336 -2.036 1
1 241 . 10 1 1 A 22 22 VAL H H 60 8.800 7.195 1.605 1
1 242 . 10 1 1 A 22 22 VAL HA H 60 3.630 3.397 0.233 1
1 250 . 10 1 1 A 22 22 VAL C C 60 172.042 174.492 -2.450 1
1 251 . 10 1 1 A 22 22 VAL CA C 60 66.980 67.156 -0.176 1
1 252 . 10 1 1 A 22 22 VAL CB C 60 26.120 29.383 -3.263 1
1 255 . 10 1 1 A 22 22 VAL N N 60 117.600 120.594 -2.994 1
1 256 . 10 1 1 A 23 23 PRO HA H 61 4.270 4.207 0.063 1
1 263 . 10 1 1 A 23 23 PRO C C 61 177.110 178.985 -1.875 1
1 264 . 10 1 1 A 23 23 PRO CA C 61 63.460 65.279 -1.819 1
1 265 . 10 1 1 A 23 23 PRO CB C 61 28.400 31.091 -2.691 1
1 267 . 10 1 1 A 24 24 LEU H H 62 6.700 7.059 -0.359 1
1 268 . 10 1 1 A 24 24 LEU HA H 62 4.250 3.977 0.273 1
1 278 . 10 1 1 A 24 24 LEU C C 62 177.872 179.084 -1.212 1
1 279 . 10 1 1 A 24 24 LEU CA C 62 55.130 57.698 -2.568 1
1 280 . 10 1 1 A 24 24 LEU CB C 62 39.440 41.873 -2.433 1
1 284 . 10 1 1 A 24 24 LEU N N 62 115.750 117.574 -1.824 1
1 285 . 10 1 1 A 25 25 LEU H H 63 8.190 7.606 0.584 1
1 286 . 10 1 1 A 25 25 LEU HA H 63 3.920 4.117 -0.197 1
1 296 . 10 1 1 A 25 25 LEU C C 63 176.367 178.286 -1.919 1
1 297 . 10 1 1 A 25 25 LEU CA C 63 54.950 58.133 -3.183 1
1 298 . 10 1 1 A 25 25 LEU CB C 63 41.090 41.819 -0.729 1
1 302 . 10 1 1 A 25 25 LEU N N 63 121.800 119.821 1.979 1
1 303 . 10 1 1 A 26 26 VAL H H 64 8.590 8.480 0.110 1
1 304 . 10 1 1 A 26 26 VAL HA H 64 3.480 4.078 -0.598 1
1 312 . 10 1 1 A 26 26 VAL C C 64 174.801 177.697 -2.896 1
1 313 . 10 1 1 A 26 26 VAL CA C 64 64.860 65.131 -0.271 1
1 314 . 10 1 1 A 26 26 VAL CB C 64 28.900 31.670 -2.770 1
1 317 . 10 1 1 A 26 26 VAL N N 64 120.990 118.557 2.433 1
1 318 . 10 1 1 A 27 27 GLU H H 65 8.090 7.663 0.427 1
1 319 . 10 1 1 A 27 27 GLU HA H 65 3.970 3.812 0.158 1
1 324 . 10 1 1 A 27 27 GLU C C 65 176.169 178.749 -2.580 1
1 325 . 10 1 1 A 27 27 GLU CA C 65 56.990 58.523 -1.533 1
1 326 . 10 1 1 A 27 27 GLU CB C 65 26.540 28.655 -2.115 1
1 328 . 10 1 1 A 27 27 GLU N N 65 118.990 122.163 -3.173 1
1 329 . 10 1 1 A 28 28 PHE H H 66 8.075 7.873 0.202 1
1 330 . 10 1 1 A 28 28 PHE HA H 66 4.570 4.288 0.282 1
1 337 . 10 1 1 A 28 28 PHE C C 66 173.482 177.720 -4.238 1
1 338 . 10 1 1 A 28 28 PHE CA C 66 58.390 61.819 -3.429 1
1 339 . 10 1 1 A 28 28 PHE CB C 66 36.680 39.277 -2.597 1
1 340 . 10 1 1 A 28 28 PHE N N 66 119.000 122.102 -3.102 1
1 341 . 10 1 1 A 29 29 ALA H H 67 8.420 8.258 0.162 1
1 342 . 10 1 1 A 29 29 ALA HA H 67 3.500 3.979 -0.479 1
1 346 . 10 1 1 A 29 29 ALA C C 67 176.624 179.932 -3.308 1
1 347 . 10 1 1 A 29 29 ALA CA C 67 52.800 55.540 -2.740 1
1 348 . 10 1 1 A 29 29 ALA CB C 67 15.290 18.880 -3.590 1
1 349 . 10 1 1 A 29 29 ALA N N 67 121.810 121.531 0.279 1
1 350 . 10 1 1 A 30 30 LYS H H 68 8.227 8.682 -0.455 1
1 351 . 10 1 1 A 30 30 LYS HA H 68 4.090 3.996 0.094 1
1 360 . 10 1 1 A 30 30 LYS C C 68 177.400 179.073 -1.673 1
1 361 . 10 1 1 A 30 30 LYS CA C 68 56.700 59.012 -2.312 1
1 362 . 10 1 1 A 30 30 LYS CB C 68 31.230 32.328 -1.098 1
1 366 . 10 1 1 A 30 30 LYS N N 68 117.500 118.646 -1.146 1
1 367 . 10 1 1 A 31 31 ASP H H 69 7.820 8.224 -0.404 1
1 368 . 10 1 1 A 31 31 ASP HA H 69 4.210 4.424 -0.214 1
1 371 . 10 1 1 A 31 31 ASP C C 69 176.438 178.340 -1.902 1
1 372 . 10 1 1 A 31 31 ASP CA C 69 54.310 56.785 -2.475 1
1 373 . 10 1 1 A 31 31 ASP CB C 69 38.320 41.350 -3.030 1
1 374 . 10 1 1 A 31 31 ASP N N 69 120.370 119.376 0.994 1
1 375 . 10 1 1 A 32 32 GLU H H 70 8.840 8.511 0.329 1
1 376 . 10 1 1 A 32 32 GLU HA H 70 3.730 4.016 -0.286 1
1 381 . 10 1 1 A 32 32 GLU C C 70 176.119 177.836 -1.717 1
1 382 . 10 1 1 A 32 32 GLU CA C 70 55.270 59.324 -4.054 1
1 383 . 10 1 1 A 32 32 GLU CB C 70 26.810 29.049 -2.239 1
1 385 . 10 1 1 A 32 32 GLU N N 70 120.750 118.180 2.570 1
1 386 . 10 1 1 A 33 33 CYS H H 71 7.960 7.667 0.293 1
1 387 . 10 1 1 A 33 33 CYS HA H 71 4.070 4.371 -0.301 1
1 390 . 10 1 1 A 33 33 CYS C C 71 170.993 174.593 -3.600 1
1 391 . 10 1 1 A 33 33 CYS CA C 71 58.160 59.316 -1.156 1
1 392 . 10 1 1 A 33 33 CYS CB C 71 26.000 28.010 -2.010 1
1 393 . 10 1 1 A 33 33 CYS N N 71 111.530 116.889 -5.359 1
1 394 . 10 1 1 A 34 34 HIS H H 72 7.560 8.026 -0.466 1
1 395 . 10 1 1 A 34 34 HIS HA H 72 4.040 4.447 -0.407 1
1 398 . 10 1 1 A 34 34 HIS C C 72 170.400 173.813 -3.413 1
1 399 . 10 1 1 A 34 34 HIS CA C 72 53.230 57.448 -4.218 1
1 400 . 10 1 1 A 34 34 HIS CB C 72 23.830 29.347 -5.517 1
1 401 . 10 1 1 A 34 34 HIS N N 72 118.100 116.078 2.022 1
1 402 . 10 1 1 A 35 35 ASN H H 73 7.590 7.597 -0.007 1
1 403 . 10 1 1 A 35 35 ASN HA H 73 4.805 5.215 -0.410 1
1 408 . 10 1 1 A 35 35 ASN C C 73 170.429 174.428 -3.999 1
1 409 . 10 1 1 A 35 35 ASN CA C 73 46.130 50.346 -4.216 1
1 410 . 10 1 1 A 35 35 ASN CB C 73 39.580 40.881 -1.301 1
1 411 . 10 1 1 A 35 35 ASN N N 73 112.400 113.428 -1.028 1
1 413 . 10 1 1 A 36 36 PRO HA H 74 4.120 4.180 -0.060 1
1 420 . 10 1 1 A 36 36 PRO C C 74 173.450 176.851 -3.401 1
1 421 . 10 1 1 A 36 36 PRO CA C 74 59.950 62.530 -2.580 1
1 422 . 10 1 1 A 36 36 PRO CB C 74 29.200 30.095 -0.895 1
1 425 . 10 1 1 A 37 37 PHE H H 75 8.057 7.752 0.305 1
1 426 . 10 1 1 A 37 37 PHE HA H 75 4.200 4.196 0.004 1
1 432 . 10 1 1 A 37 37 PHE C C 75 171.107 174.577 -3.470 1
1 433 . 10 1 1 A 37 37 PHE CA C 75 55.120 59.132 -4.012 1
1 434 . 10 1 1 A 37 37 PHE CB C 75 33.760 36.898 -3.138 1
1 436 . 10 1 1 A 38 38 ILE H H 76 7.610 7.719 -0.109 1
1 437 . 10 1 1 A 38 38 ILE HA H 76 4.870 4.687 0.183 1
1 447 . 10 1 1 A 38 38 ILE C C 76 174.180 175.586 -1.406 1
1 448 . 10 1 1 A 38 38 ILE CA C 76 56.300 60.287 -3.987 1
1 449 . 10 1 1 A 38 38 ILE CB C 76 38.040 38.394 -0.354 1
1 453 . 10 1 1 A 38 38 ILE N N 76 113.800 121.968 -8.168 1
1 454 . 10 1 1 A 39 39 ASP H H 77 8.830 8.403 0.427 1
1 455 . 10 1 1 A 39 39 ASP HA H 77 4.710 4.993 -0.283 1
1 458 . 10 1 1 A 39 39 ASP C C 77 175.969 177.466 -1.497 1
1 459 . 10 1 1 A 39 39 ASP CA C 77 49.800 52.654 -2.854 1
1 460 . 10 1 1 A 39 39 ASP CB C 77 39.180 43.748 -4.568 1
1 461 . 10 1 1 A 39 39 ASP N N 77 125.380 126.097 -0.717 1
1 462 . 10 1 1 A 40 40 LYS H H 78 8.370 8.655 -0.285 1
1 463 . 10 1 1 A 40 40 LYS HA H 78 4.100 4.003 0.097 1
1 468 . 10 1 1 A 40 40 LYS C C 78 174.100 177.510 -3.410 1
1 469 . 10 1 1 A 40 40 LYS CA C 78 55.800 58.630 -2.830 1
1 470 . 10 1 1 A 40 40 LYS CB C 78 29.120 32.336 -3.216 1
1 471 . 10 1 1 A 40 40 LYS N N 78 116.800 122.818 -6.018 1
1 472 . 10 1 1 A 41 41 ASP H H 79 8.030 7.473 0.557 1
1 473 . 10 1 1 A 41 41 ASP HA H 79 4.810 4.828 -0.018 1
1 476 . 10 1 1 A 41 41 ASP C C 79 173.360 176.261 -2.901 1
1 477 . 10 1 1 A 41 41 ASP CA C 79 51.650 53.586 -1.936 1
1 478 . 10 1 1 A 41 41 ASP CB C 79 39.570 41.020 -1.450 1
1 479 . 10 1 1 A 41 41 ASP N N 79 118.660 118.042 0.618 1
1 480 . 10 1 1 A 42 42 GLY H H 80 8.090 7.765 0.325 1
1 481 . 10 1 1 A 42 42 GLY HA2 H 80 4.230 3.958 0.272 1
1 482 . 10 1 1 A 42 42 GLY HA3 H 80 3.490 3.960 -0.470 1
1 483 . 10 1 1 A 42 42 GLY C C 80 171.399 174.518 -3.119 1
1 484 . 10 1 1 A 42 42 GLY CA C 80 42.720 46.309 -3.589 1
1 485 . 10 1 1 A 42 42 GLY N N 80 107.750 108.670 -0.920 1
1 486 . 10 1 1 A 43 43 ASN H H 81 8.470 8.081 0.389 1
1 487 . 10 1 1 A 43 43 ASN HA H 81 4.815 4.976 -0.161 1
1 492 . 10 1 1 A 43 43 ASN C C 81 172.066 175.204 -3.138 1
1 493 . 10 1 1 A 43 43 ASN CA C 81 49.580 52.568 -2.988 1
1 494 . 10 1 1 A 43 43 ASN CB C 81 36.800 39.918 -3.118 1
1 495 . 10 1 1 A 43 43 ASN N N 81 117.600 118.325 -0.725 1
1 497 . 10 1 1 A 44 44 GLU H H 82 8.730 8.417 0.313 1
1 498 . 10 1 1 A 44 44 GLU HA H 82 4.370 4.722 -0.352 1
1 503 . 10 1 1 A 44 44 GLU C C 82 173.651 175.677 -2.026 1
1 504 . 10 1 1 A 44 44 GLU CA C 82 55.170 56.263 -1.093 1
1 505 . 10 1 1 A 44 44 GLU CB C 82 27.740 30.580 -2.840 1
1 507 . 10 1 1 A 44 44 GLU N N 82 123.400 120.777 2.623 1
1 508 . 10 1 1 A 45 45 SER H H 83 8.960 8.866 0.094 1
1 509 . 10 1 1 A 45 45 SER HA H 83 4.510 5.177 -0.667 1
1 512 . 10 1 1 A 45 45 SER C C 83 170.100 173.093 -2.993 1
1 513 . 10 1 1 A 45 45 SER CA C 83 53.800 56.558 -2.758 1
1 514 . 10 1 1 A 45 45 SER CB C 83 60.320 64.919 -4.599 1
1 515 . 10 1 1 A 45 45 SER N N 83 123.400 116.142 7.258 1
1 516 . 10 1 1 A 46 46 ILE H H 84 8.990 8.973 0.017 1
1 517 . 10 1 1 A 46 46 ILE HA H 84 3.880 4.609 -0.729 1
1 527 . 10 1 1 A 46 46 ILE C C 84 177.600 175.237 2.363 1
1 528 . 10 1 1 A 46 46 ILE CA C 84 55.490 57.523 -2.033 1
1 529 . 10 1 1 A 46 46 ILE CB C 84 34.850 40.060 -5.210 1
1 533 . 10 1 1 A 46 46 ILE N N 84 127.800 126.954 0.846 1
1 534 . 10 1 1 A 47 47 PRO HA H 85 3.840 4.761 -0.921 1
1 541 . 10 1 1 A 47 47 PRO C C 85 172.918 176.951 -4.033 1
1 542 . 10 1 1 A 47 47 PRO CA C 85 61.880 62.245 -0.365 1
1 543 . 10 1 1 A 47 47 PRO CB C 85 34.920 33.197 1.723 1
1 546 . 10 1 1 A 48 48 SER H H 86 7.780 8.941 -1.161 1
1 547 . 10 1 1 A 48 48 SER C C 86 174.554 177.118 -2.564 1
1 548 . 10 1 1 A 49 49 GLY H H 87 8.230 8.248 -0.018 1
1 549 . 10 1 1 A 49 49 GLY HA2 H 87 4.300 3.839 0.461 1
1 550 . 10 1 1 A 49 49 GLY HA3 H 87 3.950 3.843 0.107 1
1 551 . 10 1 1 A 49 49 GLY C C 87 173.507 176.275 -2.768 1
1 552 . 10 1 1 A 49 49 GLY CA C 87 44.600 47.201 -2.601 1
1 553 . 10 1 1 A 49 49 GLY N N 87 105.900 109.019 -3.119 1
1 554 . 10 1 1 A 50 50 VAL H H 88 6.855 7.998 -1.143 1
1 555 . 10 1 1 A 50 50 VAL HA H 88 3.510 3.896 -0.386 1
1 563 . 10 1 1 A 50 50 VAL C C 88 174.450 178.092 -3.642 1
1 564 . 10 1 1 A 50 50 VAL CA C 88 62.420 66.004 -3.584 1
1 565 . 10 1 1 A 50 50 VAL CB C 88 28.000 31.524 -3.524 1
1 568 . 10 1 1 A 50 50 VAL N N 88 119.950 121.911 -1.961 1
1 569 . 10 1 1 A 51 51 LEU H H 89 7.360 7.686 -0.326 1
1 570 . 10 1 1 A 51 51 LEU HA H 89 3.570 4.063 -0.493 1
1 580 . 10 1 1 A 51 51 LEU C C 89 175.078 178.501 -3.423 1
1 581 . 10 1 1 A 51 51 LEU CA C 89 55.490 58.199 -2.709 1
1 582 . 10 1 1 A 51 51 LEU CB C 89 37.320 41.687 -4.367 1
1 586 . 10 1 1 A 51 51 LEU N N 89 122.100 121.522 0.578 1
1 587 . 10 1 1 A 52 52 ILE H H 90 7.770 7.593 0.177 1
1 588 . 10 1 1 A 52 52 ILE HA H 90 3.600 3.894 -0.294 1
1 598 . 10 1 1 A 52 52 ILE C C 90 175.000 178.025 -3.025 1
1 599 . 10 1 1 A 52 52 ILE CA C 90 62.720 64.173 -1.453 1
1 600 . 10 1 1 A 52 52 ILE CB C 90 34.510 37.206 -2.696 1
1 604 . 10 1 1 A 52 52 ILE N N 90 117.460 115.786 1.674 1
1 605 . 10 1 1 A 53 53 PHE H H 91 7.400 8.160 -0.760 1
1 606 . 10 1 1 A 53 53 PHE HA H 91 3.900 4.286 -0.386 1
1 613 . 10 1 1 A 53 53 PHE C C 91 172.073 177.075 -5.002 1
1 614 . 10 1 1 A 53 53 PHE CA C 91 59.340 61.495 -2.155 1
1 615 . 10 1 1 A 53 53 PHE CB C 91 35.540 39.027 -3.487 1
1 616 . 10 1 1 A 53 53 PHE N N 91 119.280 124.555 -5.275 1
1 617 . 10 1 1 A 54 54 VAL H H 92 8.450 8.039 0.411 1
1 618 . 10 1 1 A 54 54 VAL HA H 92 2.850 3.548 -0.698 1
1 626 . 10 1 1 A 54 54 VAL C C 92 174.300 177.975 -3.675 1
1 627 . 10 1 1 A 54 54 VAL CA C 92 63.860 65.338 -1.478 1
1 628 . 10 1 1 A 54 54 VAL CB C 92 28.570 30.997 -2.427 1
1 631 . 10 1 1 A 54 54 VAL N N 92 119.170 118.355 0.815 1
1 632 . 10 1 1 A 55 55 ALA H H 93 8.615 7.943 0.672 1
1 633 . 10 1 1 A 55 55 ALA HA H 93 3.750 3.943 -0.193 1
1 637 . 10 1 1 A 55 55 ALA C C 93 176.294 179.621 -3.327 1
1 638 . 10 1 1 A 55 55 ALA CA C 93 52.800 55.624 -2.824 1
1 639 . 10 1 1 A 55 55 ALA CB C 93 16.050 18.221 -2.171 1
1 640 . 10 1 1 A 55 55 ALA N N 93 120.170 123.530 -3.360 1
1 641 . 10 1 1 A 56 56 LYS H H 94 8.548 7.766 0.782 1
1 642 . 10 1 1 A 56 56 LYS HA H 94 3.980 4.042 -0.062 1
1 649 . 10 1 1 A 56 56 LYS C C 94 177.600 179.087 -1.487 1
1 650 . 10 1 1 A 56 56 LYS CA C 94 55.800 59.074 -3.274 1
1 651 . 10 1 1 A 56 56 LYS CB C 94 29.500 32.081 -2.581 1
1 654 . 10 1 1 A 56 56 LYS N N 94 115.200 116.896 -1.696 1
1 655 . 10 1 1 A 57 57 ALA H H 95 8.840 8.144 0.696 1
1 656 . 10 1 1 A 57 57 ALA HA H 95 3.940 4.381 -0.441 1
1 660 . 10 1 1 A 57 57 ALA C C 95 175.754 180.275 -4.521 1
1 661 . 10 1 1 A 57 57 ALA CA C 95 52.670 55.309 -2.639 1
1 662 . 10 1 1 A 57 57 ALA CB C 95 16.070 17.733 -1.663 1
1 663 . 10 1 1 A 57 57 ALA N N 95 124.210 121.910 2.300 1
1 664 . 10 1 1 A 58 58 ALA H H 96 8.816 7.696 1.120 1
1 665 . 10 1 1 A 58 58 ALA HA H 96 4.043 4.102 -0.059 1
1 669 . 10 1 1 A 58 58 ALA C C 96 177.600 179.678 -2.078 1
1 670 . 10 1 1 A 58 58 ALA CA C 96 52.770 55.298 -2.528 1
1 671 . 10 1 1 A 58 58 ALA CB C 96 13.560 17.818 -4.258 1
1 672 . 10 1 1 A 58 58 ALA N N 96 120.500 119.874 0.626 1
1 673 . 10 1 1 A 59 59 GLN H H 97 8.490 7.977 0.513 1
1 674 . 10 1 1 A 59 59 GLN HA H 97 3.960 4.047 -0.087 1
1 681 . 10 1 1 A 59 59 GLN C C 97 175.100 178.110 -3.010 1
1 682 . 10 1 1 A 59 59 GLN CA C 97 56.370 58.120 -1.750 1
1 683 . 10 1 1 A 59 59 GLN CB C 97 26.500 27.710 -1.210 1
1 684 . 10 1 1 A 59 59 GLN N N 97 118.750 115.976 2.774 1
1 686 . 10 1 1 A 60 60 PHE H H 98 8.020 7.625 0.395 1
1 687 . 10 1 1 A 60 60 PHE HA H 98 4.120 4.286 -0.166 1
1 694 . 10 1 1 A 60 60 PHE C C 98 174.780 178.471 -3.691 1
1 695 . 10 1 1 A 60 60 PHE CA C 98 58.650 60.475 -1.825 1
1 696 . 10 1 1 A 60 60 PHE CB C 98 35.240 38.932 -3.692 1
1 697 . 10 1 1 A 60 60 PHE N N 98 122.380 118.422 3.958 1
1 698 . 10 1 1 A 61 61 TYR H H 99 7.900 8.249 -0.349 1
1 699 . 10 1 1 A 61 61 TYR HA H 99 3.900 4.283 -0.383 1
1 704 . 10 1 1 A 61 61 TYR C C 99 175.494 177.947 -2.453 1
1 705 . 10 1 1 A 61 61 TYR CA C 99 60.600 61.630 -1.030 1
1 706 . 10 1 1 A 61 61 TYR CB C 99 36.120 38.437 -2.317 1
1 707 . 10 1 1 A 61 61 TYR N N 99 118.100 119.551 -1.451 1
1 708 . 10 1 1 A 62 62 MET H H 100 8.170 8.193 -0.023 1
1 709 . 10 1 1 A 62 62 MET HA H 100 3.810 4.227 -0.417 1
1 717 . 10 1 1 A 62 62 MET C C 100 175.130 178.302 -3.172 1
1 718 . 10 1 1 A 62 62 MET CA C 100 56.270 58.467 -2.197 1
1 719 . 10 1 1 A 62 62 MET CB C 100 31.260 32.128 -0.868 1
1 722 . 10 1 1 A 62 62 MET N N 100 118.350 119.173 -0.823 1
1 723 . 10 1 1 A 63 63 THR H H 101 7.720 8.098 -0.378 1
1 724 . 10 1 1 A 63 63 THR HA H 101 4.120 3.978 0.142 1
1 729 . 10 1 1 A 63 63 THR C C 101 172.265 175.748 -3.483 1
1 730 . 10 1 1 A 63 63 THR CA C 101 60.060 64.127 -4.067 1
1 731 . 10 1 1 A 63 63 THR CB C 101 66.880 68.600 -1.720 1
1 733 . 10 1 1 A 63 63 THR N N 101 110.720 114.755 -4.035 1
1 734 . 10 1 1 A 64 64 ASN H H 102 7.620 8.155 -0.535 1
1 735 . 10 1 1 A 64 64 ASN HA H 102 4.541 4.921 -0.380 1
1 740 . 10 1 1 A 64 64 ASN C C 102 172.591 176.640 -4.049 1
1 741 . 10 1 1 A 64 64 ASN CA C 102 51.480 54.096 -2.616 1
1 742 . 10 1 1 A 64 64 ASN CB C 102 36.830 39.631 -2.801 1
1 743 . 10 1 1 A 64 64 ASN N N 102 114.000 117.581 -3.581 1
1 745 . 10 1 1 A 65 65 ALA H H 103 8.060 8.010 0.050 1
1 746 . 10 1 1 A 65 65 ALA HA H 103 4.183 4.271 -0.088 1
1 750 . 10 1 1 A 65 65 ALA C C 103 176.032 178.530 -2.498 1
1 751 . 10 1 1 A 65 65 ALA CA C 103 51.130 52.022 -0.892 1
1 752 . 10 1 1 A 65 65 ALA CB C 103 16.230 18.371 -2.141 1
1 753 . 10 1 1 A 65 65 ALA N N 103 123.910 121.079 2.831 1
1 754 . 10 1 1 A 66 66 GLY H H 104 8.220 8.207 0.013 1
1 755 . 10 1 1 A 66 66 GLY HA2 H 104 3.883 3.924 -0.041 1
1 756 . 10 1 1 A 66 66 GLY C C 104 172.222 175.164 -2.942 1
1 757 . 10 1 1 A 66 66 GLY CA C 104 43.170 45.749 -2.579 1
1 758 . 10 1 1 A 66 66 GLY N N 104 106.420 107.913 -1.493 1
1 759 . 10 1 1 A 67 67 LEU H H 105 7.890 7.483 0.407 1
1 760 . 10 1 1 A 67 67 LEU HA H 105 4.290 4.555 -0.265 1
1 770 . 10 1 1 A 67 67 LEU C C 105 175.406 176.814 -1.408 1
1 771 . 10 1 1 A 67 67 LEU CA C 105 53.110 55.327 -2.217 1
1 772 . 10 1 1 A 67 67 LEU CB C 105 39.740 43.167 -3.427 1
1 776 . 10 1 1 A 67 67 LEU N N 105 120.570 117.108 3.462 1
1 777 . 10 1 1 A 68 68 THR H H 106 7.940 8.522 -0.582 1
1 778 . 10 1 1 A 68 68 THR HA H 106 4.330 4.557 -0.227 1
1 783 . 10 1 1 A 68 68 THR C C 106 172.806 175.532 -2.726 1
1 784 . 10 1 1 A 68 68 THR CA C 106 59.700 60.995 -1.295 1
1 785 . 10 1 1 A 68 68 THR CB C 106 67.140 69.386 -2.246 1
1 787 . 10 1 1 A 68 68 THR N N 106 111.750 113.630 -1.880 1
1 788 . 10 1 1 A 69 69 GLY H H 107 8.340 8.113 0.227 1
1 789 . 10 1 1 A 69 69 GLY HA2 H 107 3.940 3.821 0.119 1
1 790 . 10 1 1 A 69 69 GLY C C 107 171.503 174.365 -2.862 1
1 791 . 10 1 1 A 69 69 GLY CA C 107 42.990 47.121 -4.131 1
1 792 . 10 1 1 A 69 69 GLY N N 107 110.910 111.908 -0.998 1
1 793 . 10 1 1 A 70 70 ARG H H 108 7.930 7.804 0.126 1
1 794 . 10 1 1 A 70 70 ARG HA H 108 4.355 3.933 0.422 1
1 801 . 10 1 1 A 70 70 ARG C C 108 173.543 174.530 -0.987 1
1 802 . 10 1 1 A 70 70 ARG CA C 108 53.170 57.072 -3.902 1
1 803 . 10 1 1 A 70 70 ARG CB C 108 28.470 27.374 1.096 1
1 806 . 10 1 1 A 70 70 ARG N N 108 119.900 115.700 4.200 1
1 807 . 10 1 1 A 71 71 SER H H 109 8.400 7.645 0.755 1
1 808 . 10 1 1 A 71 71 SER HA H 109 4.409 4.612 -0.203 1
1 811 . 10 1 1 A 71 71 SER C C 109 172.430 172.589 -0.159 1
1 812 . 10 1 1 A 71 71 SER CA C 109 55.630 56.878 -1.248 1
1 813 . 10 1 1 A 71 71 SER CB C 109 61.060 64.532 -3.472 1
1 814 . 10 1 1 A 71 71 SER N N 109 116.970 113.005 3.965 1
1 815 . 10 1 1 A 72 72 MET H H 110 8.590 8.844 -0.254 1
1 816 . 10 1 1 A 72 72 MET HA H 110 4.394 4.640 -0.246 1
1 822 . 10 1 1 A 72 72 MET C C 110 173.487 177.329 -3.842 1
1 823 . 10 1 1 A 72 72 MET CA C 110 53.320 55.905 -2.585 1
1 824 . 10 1 1 A 72 72 MET CB C 110 29.300 32.847 -3.547 1
1 825 . 10 1 1 A 72 72 MET N N 110 122.250 121.596 0.654 1
1 826 . 10 1 1 A 73 73 ASP H H 111 8.260 8.598 -0.338 1
1 827 . 10 1 1 A 73 73 ASP HA H 111 4.514 4.574 -0.060 1
1 830 . 10 1 1 A 73 73 ASP C C 111 173.886 175.914 -2.028 1
1 831 . 10 1 1 A 73 73 ASP CA C 111 52.150 56.225 -4.075 1
1 832 . 10 1 1 A 73 73 ASP CB C 111 38.310 40.695 -2.385 1
1 833 . 10 1 1 A 73 73 ASP N N 111 119.420 119.469 -0.049 1
1 834 . 10 1 1 A 74 74 THR H H 112 7.900 7.936 -0.036 1
1 835 . 10 1 1 A 74 74 THR HA H 112 4.142 4.446 -0.304 1
1 840 . 10 1 1 A 74 74 THR C C 112 172.029 174.498 -2.469 1
1 841 . 10 1 1 A 74 74 THR CA C 112 59.640 61.458 -1.818 1
1 842 . 10 1 1 A 74 74 THR CB C 112 66.820 69.227 -2.407 1
1 844 . 10 1 1 A 74 74 THR N N 112 112.950 112.110 0.840 1
1 845 . 10 1 1 A 75 75 VAL H H 113 7.840 8.901 -1.061 1
1 846 . 10 1 1 A 75 75 VAL HA H 113 3.950 4.232 -0.282 1
1 854 . 10 1 1 A 75 75 VAL C C 113 173.067 175.751 -2.684 1
1 855 . 10 1 1 A 75 75 VAL CA C 113 60.070 63.604 -3.534 1
1 856 . 10 1 1 A 75 75 VAL CB C 113 29.740 32.560 -2.820 1
1 859 . 10 1 1 A 75 75 VAL N N 113 121.540 128.056 -6.516 1
1 860 . 10 1 1 A 76 76 SER H H 114 8.020 7.816 0.204 1
1 861 . 10 1 1 A 76 76 SER HA H 114 3.974 4.685 -0.711 1
1 864 . 10 1 1 A 76 76 SER C C 114 171.259 172.002 -0.743 1
1 865 . 10 1 1 A 76 76 SER CA C 114 55.100 56.542 -1.442 1
1 866 . 10 1 1 A 76 76 SER CB C 114 61.160 63.170 -2.010 1
1 867 . 10 1 1 A 76 76 SER N N 114 117.830 114.277 3.553 1
1 868 . 10 1 1 A 77 77 TYR H H 115 7.770 8.830 -1.060 1
1 869 . 10 1 1 A 77 77 TYR HA H 115 4.240 4.662 -0.422 1
1 874 . 10 1 1 A 77 77 TYR C C 115 172.865 176.186 -3.321 1
1 875 . 10 1 1 A 77 77 TYR CA C 115 55.100 57.507 -2.407 1
1 876 . 10 1 1 A 77 77 TYR CB C 115 36.110 40.303 -4.193 1
1 877 . 10 1 1 A 77 77 TYR N N 115 121.280 126.186 -4.906 1
1 878 . 10 1 1 A 78 78 ASN HA H 116 4.790 4.527 0.263 1
1 883 . 10 1 1 A 78 78 ASN C C 116 172.080 176.650 -4.570 1
1 884 . 10 1 1 A 78 78 ASN CA C 116 48.910 52.992 -4.082 1
1 885 . 10 1 1 A 78 78 ASN CB C 116 35.500 38.281 -2.781 1
1 886 . 10 1 1 A 78 78 ASN N N 116 112.900 119.609 -6.709 1
1 887 . 10 1 1 A 79 79 PHE H H 117 7.410 7.672 -0.262 1
1 888 . 10 1 1 A 79 79 PHE HA H 117 4.440 4.205 0.235 1
1 895 . 10 1 1 A 79 79 PHE C C 117 174.370 176.945 -2.575 1
1 896 . 10 1 1 A 79 79 PHE CA C 117 56.890 61.014 -4.124 1
1 897 . 10 1 1 A 79 79 PHE CB C 117 34.540 37.973 -3.433 1
1 898 . 10 1 1 A 79 79 PHE N N 117 121.190 117.483 3.707 1
1 899 . 10 1 1 A 80 80 ALA H H 118 8.560 7.659 0.901 1
1 900 . 10 1 1 A 80 80 ALA HA H 118 4.140 3.202 0.938 1
1 904 . 10 1 1 A 80 80 ALA C C 118 176.482 177.167 -0.685 1
1 905 . 10 1 1 A 80 80 ALA CA C 118 52.430 53.238 -0.808 1
1 906 . 10 1 1 A 80 80 ALA CB C 118 16.160 18.871 -2.711 1
1 907 . 10 1 1 A 80 80 ALA N N 118 115.100 121.058 -5.958 1
1 908 . 10 1 1 A 81 81 THR H H 119 7.330 7.946 -0.616 1
1 909 . 10 1 1 A 81 81 THR HA H 119 4.450 4.557 -0.107 1
1 914 . 10 1 1 A 81 81 THR C C 119 172.909 174.649 -1.740 1
1 915 . 10 1 1 A 81 81 THR CA C 119 59.270 61.501 -2.231 1
1 916 . 10 1 1 A 81 81 THR CB C 119 66.770 71.301 -4.531 1
1 918 . 10 1 1 A 81 81 THR N N 119 104.710 111.183 -6.473 1
1 919 . 10 1 1 A 82 82 GLU H H 120 7.890 7.962 -0.072 1
1 920 . 10 1 1 A 82 82 GLU HA H 120 4.260 4.532 -0.272 1
1 924 . 10 1 1 A 82 82 GLU C C 120 177.060 175.699 1.361 1
1 925 . 10 1 1 A 82 82 GLU CA C 120 54.740 56.551 -1.811 1
1 926 . 10 1 1 A 82 82 GLU N N 120 120.760 120.363 0.397 1
1 927 . 10 1 1 A 83 83 ILE H H 121 7.630 7.370 0.260 1
1 928 . 10 1 1 A 83 83 ILE HA H 121 3.330 3.106 0.224 1
1 938 . 10 1 1 A 83 83 ILE CA C 121 57.580 60.529 -2.949 1
1 939 . 10 1 1 A 83 83 ILE CB C 121 35.770 37.452 -1.682 1
1 943 . 10 1 1 A 83 83 ILE N N 121 118.900 119.802 -0.902 1
1 944 . 10 1 1 A 84 84 PRO HA H 122 4.200 4.523 -0.323 1
1 951 . 10 1 1 A 84 84 PRO CA C 122 60.510 62.798 -2.288 1
1 952 . 10 1 1 A 84 84 PRO CB C 122 27.260 31.453 -4.193 1
1 955 . 10 1 1 A 86 86 THR HA H 124 3.869 4.003 -0.134 1
1 960 . 10 1 1 A 86 86 THR C C 124 172.991 176.590 -3.599 1
1 961 . 10 1 1 A 86 86 THR CA C 124 61.980 66.212 -4.232 1
1 962 . 10 1 1 A 86 86 THR CB C 124 65.710 68.989 -3.279 1
1 964 . 10 1 1 A 87 87 ILE H H 125 7.340 7.468 -0.128 1
1 965 . 10 1 1 A 87 87 ILE HA H 125 3.920 3.655 0.265 1
1 975 . 10 1 1 A 87 87 ILE C C 125 175.375 178.065 -2.690 1
1 976 . 10 1 1 A 87 87 ILE CA C 125 61.900 64.236 -2.336 1
1 977 . 10 1 1 A 87 87 ILE CB C 125 35.690 37.270 -1.580 1
1 981 . 10 1 1 A 87 87 ILE N N 125 120.800 121.327 -0.527 1
1 982 . 10 1 1 A 88 88 LEU HA H 126 4.070 3.827 0.243 1
1 992 . 10 1 1 A 88 88 LEU C C 126 177.060 179.127 -2.067 1
1 993 . 10 1 1 A 88 88 LEU CA C 126 55.950 57.013 -1.063 1
1 994 . 10 1 1 A 88 88 LEU CB C 126 39.710 41.419 -1.709 1
1 998 . 10 1 1 A 89 89 LYS H H 127 8.095 7.605 0.490 1
1 999 . 10 1 1 A 89 89 LYS HA H 127 4.030 3.829 0.201 1
1 1008 . 10 1 1 A 89 89 LYS C C 127 176.400 178.996 -2.596 1
1 1009 . 10 1 1 A 89 89 LYS CA C 127 56.010 59.135 -3.125 1
1 1010 . 10 1 1 A 89 89 LYS CB C 127 29.650 31.688 -2.038 1
1 1014 . 10 1 1 A 89 89 LYS N N 127 116.100 121.045 -4.945 1
1 1015 . 10 1 1 A 90 90 LYS H H 128 7.848 7.654 0.194 1
1 1016 . 10 1 1 A 90 90 LYS HA H 128 4.160 3.990 0.170 1
1 1019 . 10 1 1 A 90 90 LYS C C 128 174.859 178.509 -3.650 1
1 1020 . 10 1 1 A 90 90 LYS CA C 128 54.750 57.611 -2.861 1
1 1021 . 10 1 1 A 90 90 LYS CB C 128 29.280 32.408 -3.128 1
1 1022 . 10 1 1 A 90 90 LYS N N 128 119.230 118.571 0.659 1
1 1023 . 10 1 1 A 91 91 LEU H H 129 7.640 6.938 0.702 1
1 1024 . 10 1 1 A 91 91 LEU HA H 129 4.250 3.490 0.760 1
1 1034 . 10 1 1 A 91 91 LEU CA C 129 52.280 57.551 -5.271 1
1 1035 . 10 1 1 A 91 91 LEU CB C 129 39.000 40.797 -1.797 1
1 1039 . 10 1 1 A 91 91 LEU N N 129 112.650 121.415 -8.765 1
1 1040 . 10 1 1 A 92 92 ASN H H 130 7.560 7.965 -0.405 1
1 1041 . 10 1 1 A 92 92 ASN HA H 130 4.300 3.608 0.692 1
1 1046 . 10 1 1 A 92 92 ASN C C 130 172.034 174.841 -2.807 1
1 1047 . 10 1 1 A 92 92 ASN CA C 130 55.070 57.486 -2.416 1
1 1048 . 10 1 1 A 92 92 ASN CB C 130 32.670 36.722 -4.052 1
1 1049 . 10 1 1 A 92 92 ASN N N 130 111.100 116.226 -5.126 1
1 1051 . 10 1 1 A 93 93 PRO HA H 131 4.220 4.367 -0.147 1
1 1058 . 10 1 1 A 93 93 PRO C C 131 173.540 177.433 -3.893 1
1 1059 . 10 1 1 A 93 93 PRO CA C 131 62.300 65.108 -2.808 1
1 1060 . 10 1 1 A 93 93 PRO CB C 131 28.140 31.624 -3.484 1
1 1062 . 10 1 1 A 94 94 TYR H H 132 7.630 7.529 0.101 1
1 1063 . 10 1 1 A 94 94 TYR HA H 132 4.630 4.421 0.209 1
1 1068 . 10 1 1 A 94 94 TYR C C 132 172.700 176.448 -3.748 1
1 1069 . 10 1 1 A 94 94 TYR CA C 132 54.130 57.967 -3.837 1
1 1070 . 10 1 1 A 94 94 TYR CB C 132 36.500 37.439 -0.939 1
1 1071 . 10 1 1 A 94 94 TYR N N 132 114.100 114.762 -0.662 1
1 1072 . 10 1 1 A 95 95 ARG H H 133 7.250 8.598 -1.348 1
1 1073 . 10 1 1 A 95 95 ARG HA H 133 4.290 4.191 0.099 1
1 1081 . 10 1 1 A 95 95 ARG C C 133 173.763 176.332 -2.569 1
1 1082 . 10 1 1 A 95 95 ARG CA C 133 54.740 58.771 -4.031 1
1 1083 . 10 1 1 A 95 95 ARG CB C 133 27.880 29.848 -1.968 1
1 1086 . 10 1 1 A 95 95 ARG N N 133 119.390 118.911 0.479 1
1 1088 . 10 1 1 A 96 96 LYS H H 134 8.658 7.973 0.685 1
1 1089 . 10 1 1 A 96 96 LYS HA H 134 4.490 4.378 0.112 1
1 1098 . 10 1 1 A 96 96 LYS C C 134 173.560 176.534 -2.974 1
1 1099 . 10 1 1 A 96 96 LYS CA C 134 52.580 55.073 -2.493 1
1 1100 . 10 1 1 A 96 96 LYS CB C 134 30.590 30.672 -0.082 1
1 1104 . 10 1 1 A 96 96 LYS N N 134 125.000 119.418 5.582 1
1 1105 . 10 1 1 A 97 97 MET H H 135 8.330 8.336 -0.006 1
1 1106 . 10 1 1 A 97 97 MET HA H 135 4.420 4.619 -0.199 1
1 1114 . 10 1 1 A 97 97 MET C C 135 172.970 176.720 -3.750 1
1 1115 . 10 1 1 A 97 97 MET CA C 135 52.490 54.058 -1.568 1
1 1116 . 10 1 1 A 97 97 MET CB C 135 30.530 30.814 -0.284 1
1 1118 . 10 1 1 A 97 97 MET N N 135 120.890 123.556 -2.666 1
1 1119 . 10 1 1 A 98 98 ALA H H 136 8.290 8.344 -0.054 1
1 1120 . 10 1 1 A 98 98 ALA HA H 136 4.180 4.501 -0.321 1
1 1124 . 10 1 1 A 98 98 ALA C C 136 173.767 176.868 -3.101 1
1 1125 . 10 1 1 A 98 98 ALA CA C 136 49.750 52.237 -2.487 1
1 1126 . 10 1 1 A 98 98 ALA CB C 136 16.350 20.119 -3.769 1
1 1127 . 10 1 1 A 98 98 ALA N N 136 126.050 125.417 0.633 1
1 1 . 11 1 1 A 3 3 VAL HA H 41 3.360 3.637 -0.277 1
1 9 . 11 1 1 A 3 3 VAL CA C 41 64.070 66.813 -2.743 1
1 10 . 11 1 1 A 3 3 VAL CB C 41 28.620 31.684 -3.064 1
1 13 . 11 1 1 A 4 4 LYS H H 42 8.223 8.280 -0.057 1
1 14 . 11 1 1 A 4 4 LYS HA H 42 3.610 4.021 -0.411 1
1 21 . 11 1 1 A 4 4 LYS C C 42 175.928 178.940 -3.012 1
1 22 . 11 1 1 A 4 4 LYS CA C 42 58.640 58.748 -0.108 1
1 23 . 11 1 1 A 4 4 LYS CB C 42 28.640 31.834 -3.194 1
1 25 . 11 1 1 A 4 4 LYS N N 42 118.080 119.743 -1.663 1
1 26 . 11 1 1 A 5 5 ARG H H 43 7.920 7.655 0.265 1
1 27 . 11 1 1 A 5 5 ARG HA H 43 4.060 4.086 -0.026 1
1 34 . 11 1 1 A 5 5 ARG C C 43 177.798 178.563 -0.765 1
1 35 . 11 1 1 A 5 5 ARG CA C 43 56.640 58.672 -2.032 1
1 36 . 11 1 1 A 5 5 ARG CB C 43 27.200 29.877 -2.677 1
1 38 . 11 1 1 A 5 5 ARG N N 43 117.720 119.777 -2.057 1
1 39 . 11 1 1 A 6 6 LEU H H 44 7.660 8.006 -0.346 1
1 40 . 11 1 1 A 6 6 LEU HA H 44 4.100 4.123 -0.023 1
1 50 . 11 1 1 A 6 6 LEU C C 44 176.114 178.605 -2.491 1
1 51 . 11 1 1 A 6 6 LEU CA C 44 55.100 57.496 -2.396 1
1 52 . 11 1 1 A 6 6 LEU CB C 44 39.570 41.931 -2.361 1
1 56 . 11 1 1 A 6 6 LEU N N 44 121.040 119.239 1.801 1
1 57 . 11 1 1 A 7 7 LEU H H 45 7.520 7.938 -0.418 1
1 58 . 11 1 1 A 7 7 LEU HA H 45 4.350 4.341 0.009 1
1 68 . 11 1 1 A 7 7 LEU C C 45 172.937 178.571 -5.634 1
1 69 . 11 1 1 A 7 7 LEU CA C 45 51.480 55.366 -3.886 1
1 70 . 11 1 1 A 7 7 LEU CB C 45 40.300 42.682 -2.382 1
1 74 . 11 1 1 A 7 7 LEU N N 45 116.660 114.587 2.073 1
1 75 . 11 1 1 A 8 8 SER H H 46 7.840 8.661 -0.821 1
1 76 . 11 1 1 A 8 8 SER HA H 46 3.960 4.384 -0.424 1
1 79 . 11 1 1 A 8 8 SER CA C 46 56.360 61.043 -4.683 1
1 80 . 11 1 1 A 8 8 SER CB C 46 58.870 63.355 -4.485 1
1 81 . 11 1 1 A 8 8 SER N N 46 113.750 116.374 -2.624 1
1 82 . 11 1 1 A 9 9 ILE H H 47 8.290 7.615 0.675 1
1 83 . 11 1 1 A 9 9 ILE HA H 47 4.230 4.406 -0.176 1
1 93 . 11 1 1 A 9 9 ILE C C 47 174.540 175.690 -1.150 1
1 94 . 11 1 1 A 9 9 ILE CA C 47 58.680 62.756 -4.076 1
1 95 . 11 1 1 A 9 9 ILE CB C 47 36.912 39.402 -2.490 1
1 99 . 11 1 1 A 9 9 ILE N N 47 119.850 118.679 1.171 1
1 100 . 11 1 1 A 10 10 THR H H 48 8.760 8.154 0.606 1
1 101 . 11 1 1 A 10 10 THR HA H 48 4.465 4.443 0.022 1
1 106 . 11 1 1 A 10 10 THR C C 48 171.266 174.771 -3.505 1
1 107 . 11 1 1 A 10 10 THR CA C 48 58.390 61.739 -3.349 1
1 108 . 11 1 1 A 10 10 THR CB C 48 66.310 67.165 -0.855 1
1 110 . 11 1 1 A 10 10 THR N N 48 117.590 114.149 3.441 1
1 111 . 11 1 1 A 11 11 ASN H H 49 7.360 8.100 -0.740 1
1 112 . 11 1 1 A 11 11 ASN HA H 49 4.909 4.816 0.093 1
1 117 . 11 1 1 A 11 11 ASN C C 49 172.506 174.624 -2.118 1
1 118 . 11 1 1 A 11 11 ASN CA C 49 49.430 53.979 -4.549 1
1 119 . 11 1 1 A 11 11 ASN CB C 49 37.420 41.384 -3.964 1
1 120 . 11 1 1 A 11 11 ASN N N 49 113.560 122.108 -8.548 1
1 122 . 11 1 1 A 12 12 ASP H H 50 8.256 8.148 0.108 1
1 123 . 11 1 1 A 12 12 ASP HA H 50 4.650 4.659 -0.009 1
1 126 . 11 1 1 A 12 12 ASP C C 50 176.400 177.010 -0.610 1
1 127 . 11 1 1 A 12 12 ASP CA C 50 51.210 53.105 -1.895 1
1 128 . 11 1 1 A 12 12 ASP CB C 50 38.080 42.102 -4.022 1
1 129 . 11 1 1 A 12 12 ASP N N 50 117.210 120.393 -3.183 1
1 130 . 11 1 1 A 13 13 LYS H H 51 7.895 8.685 -0.790 1
1 131 . 11 1 1 A 13 13 LYS HA H 51 3.840 4.086 -0.246 1
1 140 . 11 1 1 A 13 13 LYS C C 51 174.700 177.435 -2.735 1
1 141 . 11 1 1 A 13 13 LYS CA C 51 56.320 58.389 -2.069 1
1 142 . 11 1 1 A 13 13 LYS CB C 51 29.760 32.365 -2.605 1
1 146 . 11 1 1 A 13 13 LYS N N 51 120.500 120.955 -0.455 1
1 147 . 11 1 1 A 14 14 HIS H H 52 9.000 7.640 1.360 1
1 148 . 11 1 1 A 14 14 HIS HA H 52 5.120 4.492 0.628 1
1 152 . 11 1 1 A 14 14 HIS C C 52 173.200 176.639 -3.439 1
1 153 . 11 1 1 A 14 14 HIS CA C 52 52.370 58.705 -6.335 1
1 154 . 11 1 1 A 14 14 HIS CB C 52 27.520 29.183 -1.663 1
1 155 . 11 1 1 A 14 14 HIS N N 52 116.200 117.193 -0.993 1
1 156 . 11 1 1 A 15 15 ASP H H 53 7.640 8.326 -0.686 1
1 157 . 11 1 1 A 15 15 ASP HA H 53 4.120 4.254 -0.134 1
1 160 . 11 1 1 A 15 15 ASP C C 53 176.183 178.070 -1.887 1
1 161 . 11 1 1 A 15 15 ASP CA C 53 56.060 57.919 -1.859 1
1 162 . 11 1 1 A 15 15 ASP CB C 53 36.350 42.138 -5.788 1
1 163 . 11 1 1 A 15 15 ASP N N 53 122.780 121.657 1.123 1
1 164 . 11 1 1 A 16 16 GLU H H 54 8.890 8.480 0.410 1
1 165 . 11 1 1 A 16 16 GLU HA H 54 4.020 4.113 -0.093 1
1 170 . 11 1 1 A 16 16 GLU CA C 54 57.770 59.290 -1.520 1
1 171 . 11 1 1 A 16 16 GLU CB C 54 26.330 29.253 -2.923 1
1 173 . 11 1 1 A 16 16 GLU N N 54 122.770 117.493 5.277 1
1 174 . 11 1 1 A 17 17 TYR H H 55 8.130 8.322 -0.192 1
1 175 . 11 1 1 A 17 17 TYR HA H 55 4.390 4.276 0.114 1
1 180 . 11 1 1 A 17 17 TYR C C 55 175.213 177.894 -2.681 1
1 181 . 11 1 1 A 17 17 TYR CA C 55 58.150 61.407 -3.257 1
1 182 . 11 1 1 A 17 17 TYR CB C 55 36.000 38.455 -2.455 1
1 185 . 11 1 1 A 17 17 TYR N N 55 121.000 122.039 -1.039 1
1 186 . 11 1 1 A 18 18 LEU H H 56 8.740 8.988 -0.248 1
1 187 . 11 1 1 A 18 18 LEU HA H 56 3.710 4.104 -0.394 1
1 197 . 11 1 1 A 18 18 LEU C C 56 175.500 178.687 -3.187 1
1 198 . 11 1 1 A 18 18 LEU CA C 56 55.470 58.218 -2.748 1
1 199 . 11 1 1 A 18 18 LEU CB C 56 39.920 41.483 -1.563 1
1 203 . 11 1 1 A 18 18 LEU N N 56 118.100 119.800 -1.700 1
1 204 . 11 1 1 A 19 19 THR H H 57 8.420 8.056 0.364 1
1 205 . 11 1 1 A 19 19 THR HA H 57 3.820 3.923 -0.103 1
1 210 . 11 1 1 A 19 19 THR C C 57 172.234 177.261 -5.027 1
1 211 . 11 1 1 A 19 19 THR CA C 57 64.220 65.879 -1.659 1
1 212 . 11 1 1 A 19 19 THR CB C 57 66.050 68.297 -2.247 1
1 214 . 11 1 1 A 19 19 THR N N 57 114.940 110.906 4.034 1
1 215 . 11 1 1 A 20 20 GLU H H 58 7.087 7.809 -0.722 1
1 216 . 11 1 1 A 20 20 GLU HA H 58 4.320 3.917 0.403 1
1 221 . 11 1 1 A 20 20 GLU C C 58 175.554 178.989 -3.435 1
1 222 . 11 1 1 A 20 20 GLU CA C 58 55.170 59.606 -4.436 1
1 223 . 11 1 1 A 20 20 GLU CB C 58 27.920 29.081 -1.161 1
1 225 . 11 1 1 A 20 20 GLU N N 58 117.800 122.245 -4.445 1
1 226 . 11 1 1 A 21 21 MET H H 59 8.320 7.722 0.598 1
1 227 . 11 1 1 A 21 21 MET HA H 59 4.330 1.403 2.927 1
1 235 . 11 1 1 A 21 21 MET C C 59 175.330 177.708 -2.378 1
1 236 . 11 1 1 A 21 21 MET CA C 59 54.270 57.709 -3.439 1
1 237 . 11 1 1 A 21 21 MET CB C 59 30.620 31.835 -1.215 1
1 240 . 11 1 1 A 21 21 MET N N 59 116.300 119.118 -2.818 1
1 241 . 11 1 1 A 22 22 VAL H H 60 8.800 7.619 1.181 1
1 242 . 11 1 1 A 22 22 VAL HA H 60 3.630 3.600 0.030 1
1 250 . 11 1 1 A 22 22 VAL C C 60 172.042 175.051 -3.009 1
1 251 . 11 1 1 A 22 22 VAL CA C 60 66.980 67.167 -0.187 1
1 252 . 11 1 1 A 22 22 VAL CB C 60 26.120 30.016 -3.896 1
1 255 . 11 1 1 A 22 22 VAL N N 60 117.600 119.078 -1.478 1
1 256 . 11 1 1 A 23 23 PRO HA H 61 4.270 4.339 -0.069 1
1 263 . 11 1 1 A 23 23 PRO C C 61 177.110 179.238 -2.128 1
1 264 . 11 1 1 A 23 23 PRO CA C 61 63.460 65.555 -2.095 1
1 265 . 11 1 1 A 23 23 PRO CB C 61 28.400 31.094 -2.694 1
1 267 . 11 1 1 A 24 24 LEU H H 62 6.700 7.472 -0.772 1
1 268 . 11 1 1 A 24 24 LEU HA H 62 4.250 4.064 0.186 1
1 278 . 11 1 1 A 24 24 LEU C C 62 177.872 178.837 -0.965 1
1 279 . 11 1 1 A 24 24 LEU CA C 62 55.130 57.541 -2.411 1
1 280 . 11 1 1 A 24 24 LEU CB C 62 39.440 41.640 -2.200 1
1 284 . 11 1 1 A 24 24 LEU N N 62 115.750 117.841 -2.091 1
1 285 . 11 1 1 A 25 25 LEU H H 63 8.190 7.810 0.380 1
1 286 . 11 1 1 A 25 25 LEU HA H 63 3.920 4.031 -0.111 1
1 296 . 11 1 1 A 25 25 LEU C C 63 176.367 178.652 -2.285 1
1 297 . 11 1 1 A 25 25 LEU CA C 63 54.950 58.359 -3.409 1
1 298 . 11 1 1 A 25 25 LEU CB C 63 41.090 41.920 -0.830 1
1 302 . 11 1 1 A 25 25 LEU N N 63 121.800 120.457 1.343 1
1 303 . 11 1 1 A 26 26 VAL H H 64 8.590 8.763 -0.173 1
1 304 . 11 1 1 A 26 26 VAL HA H 64 3.480 3.937 -0.457 1
1 312 . 11 1 1 A 26 26 VAL C C 64 174.801 177.822 -3.021 1
1 313 . 11 1 1 A 26 26 VAL CA C 64 64.860 65.369 -0.509 1
1 314 . 11 1 1 A 26 26 VAL CB C 64 28.900 31.705 -2.805 1
1 317 . 11 1 1 A 26 26 VAL N N 64 120.990 118.661 2.329 1
1 318 . 11 1 1 A 27 27 GLU H H 65 8.090 8.069 0.021 1
1 319 . 11 1 1 A 27 27 GLU HA H 65 3.970 3.370 0.600 1
1 324 . 11 1 1 A 27 27 GLU C C 65 176.169 178.994 -2.825 1
1 325 . 11 1 1 A 27 27 GLU CA C 65 56.990 59.046 -2.056 1
1 326 . 11 1 1 A 27 27 GLU CB C 65 26.540 29.388 -2.848 1
1 328 . 11 1 1 A 27 27 GLU N N 65 118.990 122.003 -3.013 1
1 329 . 11 1 1 A 28 28 PHE H H 66 8.075 7.857 0.218 1
1 330 . 11 1 1 A 28 28 PHE HA H 66 4.570 4.228 0.342 1
1 337 . 11 1 1 A 28 28 PHE C C 66 173.482 177.344 -3.862 1
1 338 . 11 1 1 A 28 28 PHE CA C 66 58.390 61.223 -2.833 1
1 339 . 11 1 1 A 28 28 PHE CB C 66 36.680 38.944 -2.264 1
1 340 . 11 1 1 A 28 28 PHE N N 66 119.000 122.584 -3.584 1
1 341 . 11 1 1 A 29 29 ALA H H 67 8.420 8.220 0.200 1
1 342 . 11 1 1 A 29 29 ALA HA H 67 3.500 3.728 -0.228 1
1 346 . 11 1 1 A 29 29 ALA C C 67 176.624 180.146 -3.522 1
1 347 . 11 1 1 A 29 29 ALA CA C 67 52.800 54.901 -2.101 1
1 348 . 11 1 1 A 29 29 ALA CB C 67 15.290 18.244 -2.954 1
1 349 . 11 1 1 A 29 29 ALA N N 67 121.810 121.401 0.409 1
1 350 . 11 1 1 A 30 30 LYS H H 68 8.227 7.999 0.228 1
1 351 . 11 1 1 A 30 30 LYS HA H 68 4.090 3.891 0.199 1
1 360 . 11 1 1 A 30 30 LYS C C 68 177.400 178.811 -1.411 1
1 361 . 11 1 1 A 30 30 LYS CA C 68 56.700 58.797 -2.097 1
1 362 . 11 1 1 A 30 30 LYS CB C 68 31.230 31.367 -0.137 1
1 366 . 11 1 1 A 30 30 LYS N N 68 117.500 117.953 -0.453 1
1 367 . 11 1 1 A 31 31 ASP H H 69 7.820 7.896 -0.076 1
1 368 . 11 1 1 A 31 31 ASP HA H 69 4.210 4.852 -0.642 1
1 371 . 11 1 1 A 31 31 ASP C C 69 176.438 178.721 -2.283 1
1 372 . 11 1 1 A 31 31 ASP CA C 69 54.310 57.005 -2.695 1
1 373 . 11 1 1 A 31 31 ASP CB C 69 38.320 41.465 -3.145 1
1 374 . 11 1 1 A 31 31 ASP N N 69 120.370 119.848 0.522 1
1 375 . 11 1 1 A 32 32 GLU H H 70 8.840 8.163 0.677 1
1 376 . 11 1 1 A 32 32 GLU HA H 70 3.730 4.021 -0.291 1
1 381 . 11 1 1 A 32 32 GLU C C 70 176.119 177.569 -1.450 1
1 382 . 11 1 1 A 32 32 GLU CA C 70 55.270 58.807 -3.537 1
1 383 . 11 1 1 A 32 32 GLU CB C 70 26.810 29.485 -2.675 1
1 385 . 11 1 1 A 32 32 GLU N N 70 120.750 118.436 2.314 1
1 386 . 11 1 1 A 33 33 CYS H H 71 7.960 7.922 0.038 1
1 387 . 11 1 1 A 33 33 CYS HA H 71 4.070 4.626 -0.556 1
1 390 . 11 1 1 A 33 33 CYS C C 71 170.993 174.822 -3.829 1
1 391 . 11 1 1 A 33 33 CYS CA C 71 58.160 59.086 -0.926 1
1 392 . 11 1 1 A 33 33 CYS CB C 71 26.000 27.731 -1.731 1
1 393 . 11 1 1 A 33 33 CYS N N 71 111.530 116.530 -5.000 1
1 394 . 11 1 1 A 34 34 HIS H H 72 7.560 8.101 -0.541 1
1 395 . 11 1 1 A 34 34 HIS HA H 72 4.040 4.343 -0.303 1
1 398 . 11 1 1 A 34 34 HIS C C 72 170.400 174.521 -4.121 1
1 399 . 11 1 1 A 34 34 HIS CA C 72 53.230 59.210 -5.980 1
1 400 . 11 1 1 A 34 34 HIS CB C 72 23.830 27.587 -3.757 1
1 401 . 11 1 1 A 34 34 HIS N N 72 118.100 115.611 2.489 1
1 402 . 11 1 1 A 35 35 ASN H H 73 7.590 7.965 -0.375 1
1 403 . 11 1 1 A 35 35 ASN HA H 73 4.805 4.747 0.058 1
1 408 . 11 1 1 A 35 35 ASN C C 73 170.429 175.172 -4.743 1
1 409 . 11 1 1 A 35 35 ASN CA C 73 46.130 51.222 -5.092 1
1 410 . 11 1 1 A 35 35 ASN CB C 73 39.580 39.088 0.492 1
1 411 . 11 1 1 A 35 35 ASN N N 73 112.400 117.724 -5.324 1
1 413 . 11 1 1 A 36 36 PRO HA H 74 4.120 3.950 0.170 1
1 420 . 11 1 1 A 36 36 PRO C C 74 173.450 176.846 -3.396 1
1 421 . 11 1 1 A 36 36 PRO CA C 74 59.950 62.882 -2.932 1
1 422 . 11 1 1 A 36 36 PRO CB C 74 29.200 32.092 -2.892 1
1 425 . 11 1 1 A 37 37 PHE H H 75 8.057 7.682 0.375 1
1 426 . 11 1 1 A 37 37 PHE HA H 75 4.200 4.157 0.043 1
1 432 . 11 1 1 A 37 37 PHE C C 75 171.107 174.567 -3.460 1
1 433 . 11 1 1 A 37 37 PHE CA C 75 55.120 58.773 -3.653 1
1 434 . 11 1 1 A 37 37 PHE CB C 75 33.760 36.589 -2.829 1
1 436 . 11 1 1 A 38 38 ILE H H 76 7.610 7.403 0.207 1
1 437 . 11 1 1 A 38 38 ILE HA H 76 4.870 4.857 0.013 1
1 447 . 11 1 1 A 38 38 ILE C C 76 174.180 174.722 -0.542 1
1 448 . 11 1 1 A 38 38 ILE CA C 76 56.300 60.019 -3.719 1
1 449 . 11 1 1 A 38 38 ILE CB C 76 38.040 41.007 -2.967 1
1 453 . 11 1 1 A 38 38 ILE N N 76 113.800 119.637 -5.837 1
1 454 . 11 1 1 A 39 39 ASP H H 77 8.830 8.610 0.220 1
1 455 . 11 1 1 A 39 39 ASP HA H 77 4.710 4.933 -0.223 1
1 458 . 11 1 1 A 39 39 ASP C C 77 175.969 177.625 -1.656 1
1 459 . 11 1 1 A 39 39 ASP CA C 77 49.800 51.595 -1.795 1
1 460 . 11 1 1 A 39 39 ASP CB C 77 39.180 42.550 -3.370 1
1 461 . 11 1 1 A 39 39 ASP N N 77 125.380 125.534 -0.154 1
1 462 . 11 1 1 A 40 40 LYS H H 78 8.370 9.023 -0.653 1
1 463 . 11 1 1 A 40 40 LYS HA H 78 4.100 4.083 0.017 1
1 468 . 11 1 1 A 40 40 LYS C C 78 174.100 177.025 -2.925 1
1 469 . 11 1 1 A 40 40 LYS CA C 78 55.800 58.822 -3.022 1
1 470 . 11 1 1 A 40 40 LYS CB C 78 29.120 31.891 -2.771 1
1 471 . 11 1 1 A 40 40 LYS N N 78 116.800 117.395 -0.595 1
1 472 . 11 1 1 A 41 41 ASP H H 79 8.030 7.405 0.625 1
1 473 . 11 1 1 A 41 41 ASP HA H 79 4.810 4.803 0.007 1
1 476 . 11 1 1 A 41 41 ASP C C 79 173.360 176.470 -3.110 1
1 477 . 11 1 1 A 41 41 ASP CA C 79 51.650 53.901 -2.251 1
1 478 . 11 1 1 A 41 41 ASP CB C 79 39.570 41.343 -1.773 1
1 479 . 11 1 1 A 41 41 ASP N N 79 118.660 119.763 -1.103 1
1 480 . 11 1 1 A 42 42 GLY H H 80 8.090 8.294 -0.204 1
1 481 . 11 1 1 A 42 42 GLY HA2 H 80 4.230 3.941 0.289 1
1 482 . 11 1 1 A 42 42 GLY HA3 H 80 3.490 3.944 -0.454 1
1 483 . 11 1 1 A 42 42 GLY C C 80 171.399 174.438 -3.039 1
1 484 . 11 1 1 A 42 42 GLY CA C 80 42.720 46.060 -3.340 1
1 485 . 11 1 1 A 42 42 GLY N N 80 107.750 108.511 -0.761 1
1 486 . 11 1 1 A 43 43 ASN H H 81 8.470 8.031 0.439 1
1 487 . 11 1 1 A 43 43 ASN HA H 81 4.815 5.035 -0.220 1
1 492 . 11 1 1 A 43 43 ASN C C 81 172.066 175.275 -3.209 1
1 493 . 11 1 1 A 43 43 ASN CA C 81 49.580 52.017 -2.437 1
1 494 . 11 1 1 A 43 43 ASN CB C 81 36.800 40.303 -3.503 1
1 495 . 11 1 1 A 43 43 ASN N N 81 117.600 119.147 -1.547 1
1 497 . 11 1 1 A 44 44 GLU H H 82 8.730 8.431 0.299 1
1 498 . 11 1 1 A 44 44 GLU HA H 82 4.370 4.638 -0.268 1
1 503 . 11 1 1 A 44 44 GLU C C 82 173.651 175.617 -1.966 1
1 504 . 11 1 1 A 44 44 GLU CA C 82 55.170 55.962 -0.792 1
1 505 . 11 1 1 A 44 44 GLU CB C 82 27.740 30.802 -3.062 1
1 507 . 11 1 1 A 44 44 GLU N N 82 123.400 122.432 0.968 1
1 508 . 11 1 1 A 45 45 SER H H 83 8.960 9.372 -0.412 1
1 509 . 11 1 1 A 45 45 SER HA H 83 4.510 4.747 -0.237 1
1 512 . 11 1 1 A 45 45 SER C C 83 170.100 173.214 -3.114 1
1 513 . 11 1 1 A 45 45 SER CA C 83 53.800 56.873 -3.073 1
1 514 . 11 1 1 A 45 45 SER CB C 83 60.320 63.941 -3.621 1
1 515 . 11 1 1 A 45 45 SER N N 83 123.400 118.283 5.117 1
1 516 . 11 1 1 A 46 46 ILE H H 84 8.990 8.964 0.026 1
1 517 . 11 1 1 A 46 46 ILE HA H 84 3.880 4.711 -0.831 1
1 527 . 11 1 1 A 46 46 ILE C C 84 177.600 174.803 2.797 1
1 528 . 11 1 1 A 46 46 ILE CA C 84 55.490 58.305 -2.815 1
1 529 . 11 1 1 A 46 46 ILE CB C 84 34.850 38.739 -3.889 1
1 533 . 11 1 1 A 46 46 ILE N N 84 127.800 128.461 -0.661 1
1 534 . 11 1 1 A 47 47 PRO HA H 85 3.840 4.782 -0.942 1
1 541 . 11 1 1 A 47 47 PRO C C 85 172.918 177.220 -4.302 1
1 542 . 11 1 1 A 47 47 PRO CA C 85 61.880 62.206 -0.326 1
1 543 . 11 1 1 A 47 47 PRO CB C 85 34.920 33.339 1.581 1
1 546 . 11 1 1 A 48 48 SER H H 86 7.780 8.737 -0.957 1
1 547 . 11 1 1 A 48 48 SER C C 86 174.554 177.031 -2.477 1
1 548 . 11 1 1 A 49 49 GLY H H 87 8.230 8.282 -0.052 1
1 549 . 11 1 1 A 49 49 GLY HA2 H 87 4.300 3.668 0.632 1
1 550 . 11 1 1 A 49 49 GLY HA3 H 87 3.950 3.678 0.272 1
1 551 . 11 1 1 A 49 49 GLY C C 87 173.507 175.919 -2.412 1
1 552 . 11 1 1 A 49 49 GLY CA C 87 44.600 47.410 -2.810 1
1 553 . 11 1 1 A 49 49 GLY N N 87 105.900 109.343 -3.443 1
1 554 . 11 1 1 A 50 50 VAL H H 88 6.855 8.198 -1.343 1
1 555 . 11 1 1 A 50 50 VAL HA H 88 3.510 3.967 -0.457 1
1 563 . 11 1 1 A 50 50 VAL C C 88 174.450 178.251 -3.801 1
1 564 . 11 1 1 A 50 50 VAL CA C 88 62.420 66.200 -3.780 1
1 565 . 11 1 1 A 50 50 VAL CB C 88 28.000 31.740 -3.740 1
1 568 . 11 1 1 A 50 50 VAL N N 88 119.950 122.576 -2.626 1
1 569 . 11 1 1 A 51 51 LEU H H 89 7.360 8.020 -0.660 1
1 570 . 11 1 1 A 51 51 LEU HA H 89 3.570 4.129 -0.559 1
1 580 . 11 1 1 A 51 51 LEU C C 89 175.078 178.422 -3.344 1
1 581 . 11 1 1 A 51 51 LEU CA C 89 55.490 58.180 -2.690 1
1 582 . 11 1 1 A 51 51 LEU CB C 89 37.320 41.541 -4.221 1
1 586 . 11 1 1 A 51 51 LEU N N 89 122.100 121.402 0.698 1
1 587 . 11 1 1 A 52 52 ILE H H 90 7.770 7.647 0.123 1
1 588 . 11 1 1 A 52 52 ILE HA H 90 3.600 3.851 -0.251 1
1 598 . 11 1 1 A 52 52 ILE C C 90 175.000 178.069 -3.069 1
1 599 . 11 1 1 A 52 52 ILE CA C 90 62.720 64.539 -1.819 1
1 600 . 11 1 1 A 52 52 ILE CB C 90 34.510 37.446 -2.936 1
1 604 . 11 1 1 A 52 52 ILE N N 90 117.460 116.022 1.438 1
1 605 . 11 1 1 A 53 53 PHE H H 91 7.400 8.086 -0.686 1
1 606 . 11 1 1 A 53 53 PHE HA H 91 3.900 4.193 -0.293 1
1 613 . 11 1 1 A 53 53 PHE C C 91 172.073 176.999 -4.926 1
1 614 . 11 1 1 A 53 53 PHE CA C 91 59.340 61.454 -2.114 1
1 615 . 11 1 1 A 53 53 PHE CB C 91 35.540 38.908 -3.368 1
1 616 . 11 1 1 A 53 53 PHE N N 91 119.280 124.331 -5.051 1
1 617 . 11 1 1 A 54 54 VAL H H 92 8.450 8.131 0.319 1
1 618 . 11 1 1 A 54 54 VAL HA H 92 2.850 3.409 -0.559 1
1 626 . 11 1 1 A 54 54 VAL C C 92 174.300 177.770 -3.470 1
1 627 . 11 1 1 A 54 54 VAL CA C 92 63.860 65.158 -1.298 1
1 628 . 11 1 1 A 54 54 VAL CB C 92 28.570 30.861 -2.291 1
1 631 . 11 1 1 A 54 54 VAL N N 92 119.170 118.170 1.000 1
1 632 . 11 1 1 A 55 55 ALA H H 93 8.615 7.986 0.629 1
1 633 . 11 1 1 A 55 55 ALA HA H 93 3.750 3.986 -0.236 1
1 637 . 11 1 1 A 55 55 ALA C C 93 176.294 179.572 -3.278 1
1 638 . 11 1 1 A 55 55 ALA CA C 93 52.800 55.474 -2.674 1
1 639 . 11 1 1 A 55 55 ALA CB C 93 16.050 18.334 -2.284 1
1 640 . 11 1 1 A 55 55 ALA N N 93 120.170 123.824 -3.654 1
1 641 . 11 1 1 A 56 56 LYS H H 94 8.548 7.915 0.633 1
1 642 . 11 1 1 A 56 56 LYS HA H 94 3.980 4.120 -0.140 1
1 649 . 11 1 1 A 56 56 LYS C C 94 177.600 178.906 -1.306 1
1 650 . 11 1 1 A 56 56 LYS CA C 94 55.800 59.133 -3.333 1
1 651 . 11 1 1 A 56 56 LYS CB C 94 29.500 31.993 -2.493 1
1 654 . 11 1 1 A 56 56 LYS N N 94 115.200 116.801 -1.601 1
1 655 . 11 1 1 A 57 57 ALA H H 95 8.840 7.915 0.925 1
1 656 . 11 1 1 A 57 57 ALA HA H 95 3.940 4.031 -0.091 1
1 660 . 11 1 1 A 57 57 ALA C C 95 175.754 180.100 -4.346 1
1 661 . 11 1 1 A 57 57 ALA CA C 95 52.670 55.048 -2.378 1
1 662 . 11 1 1 A 57 57 ALA CB C 95 16.070 18.140 -2.070 1
1 663 . 11 1 1 A 57 57 ALA N N 95 124.210 122.389 1.821 1
1 664 . 11 1 1 A 58 58 ALA H H 96 8.816 7.568 1.248 1
1 665 . 11 1 1 A 58 58 ALA HA H 96 4.043 4.132 -0.089 1
1 669 . 11 1 1 A 58 58 ALA C C 96 177.600 180.094 -2.494 1
1 670 . 11 1 1 A 58 58 ALA CA C 96 52.770 54.747 -1.977 1
1 671 . 11 1 1 A 58 58 ALA CB C 96 13.560 18.427 -4.867 1
1 672 . 11 1 1 A 58 58 ALA N N 96 120.500 120.192 0.308 1
1 673 . 11 1 1 A 59 59 GLN H H 97 8.490 7.845 0.645 1
1 674 . 11 1 1 A 59 59 GLN HA H 97 3.960 4.053 -0.093 1
1 681 . 11 1 1 A 59 59 GLN C C 97 175.100 178.500 -3.400 1
1 682 . 11 1 1 A 59 59 GLN CA C 97 56.370 58.951 -2.581 1
1 683 . 11 1 1 A 59 59 GLN CB C 97 26.500 28.441 -1.941 1
1 684 . 11 1 1 A 59 59 GLN N N 97 118.750 119.332 -0.582 1
1 686 . 11 1 1 A 60 60 PHE H H 98 8.020 7.970 0.050 1
1 687 . 11 1 1 A 60 60 PHE HA H 98 4.120 4.214 -0.094 1
1 694 . 11 1 1 A 60 60 PHE C C 98 174.780 176.960 -2.180 1
1 695 . 11 1 1 A 60 60 PHE CA C 98 58.650 61.459 -2.809 1
1 696 . 11 1 1 A 60 60 PHE CB C 98 35.240 39.350 -4.110 1
1 697 . 11 1 1 A 60 60 PHE N N 98 122.380 120.794 1.586 1
1 698 . 11 1 1 A 61 61 TYR H H 99 7.900 8.225 -0.325 1
1 699 . 11 1 1 A 61 61 TYR HA H 99 3.900 4.162 -0.262 1
1 704 . 11 1 1 A 61 61 TYR C C 99 175.494 177.406 -1.912 1
1 705 . 11 1 1 A 61 61 TYR CA C 99 60.600 61.374 -0.774 1
1 706 . 11 1 1 A 61 61 TYR CB C 99 36.120 38.529 -2.409 1
1 707 . 11 1 1 A 61 61 TYR N N 99 118.100 119.957 -1.857 1
1 708 . 11 1 1 A 62 62 MET H H 100 8.170 8.339 -0.169 1
1 709 . 11 1 1 A 62 62 MET HA H 100 3.810 4.292 -0.482 1
1 717 . 11 1 1 A 62 62 MET C C 100 175.130 177.584 -2.454 1
1 718 . 11 1 1 A 62 62 MET CA C 100 56.270 58.404 -2.134 1
1 719 . 11 1 1 A 62 62 MET CB C 100 31.260 32.508 -1.248 1
1 722 . 11 1 1 A 62 62 MET N N 100 118.350 118.474 -0.124 1
1 723 . 11 1 1 A 63 63 THR H H 101 7.720 7.487 0.233 1
1 724 . 11 1 1 A 63 63 THR HA H 101 4.120 4.244 -0.124 1
1 729 . 11 1 1 A 63 63 THR C C 101 172.265 174.307 -2.042 1
1 730 . 11 1 1 A 63 63 THR CA C 101 60.060 62.455 -2.395 1
1 731 . 11 1 1 A 63 63 THR CB C 101 66.880 69.010 -2.130 1
1 733 . 11 1 1 A 63 63 THR N N 101 110.720 110.764 -0.044 1
1 734 . 11 1 1 A 64 64 ASN H H 102 7.620 7.935 -0.315 1
1 735 . 11 1 1 A 64 64 ASN HA H 102 4.541 4.366 0.175 1
1 740 . 11 1 1 A 64 64 ASN C C 102 172.591 175.253 -2.662 1
1 741 . 11 1 1 A 64 64 ASN CA C 102 51.480 53.761 -2.281 1
1 742 . 11 1 1 A 64 64 ASN CB C 102 36.830 36.727 0.103 1
1 743 . 11 1 1 A 64 64 ASN N N 102 114.000 118.552 -4.552 1
1 745 . 11 1 1 A 65 65 ALA H H 103 8.060 7.526 0.534 1
1 746 . 11 1 1 A 65 65 ALA HA H 103 4.183 4.226 -0.043 1
1 750 . 11 1 1 A 65 65 ALA C C 103 176.032 177.255 -1.223 1
1 751 . 11 1 1 A 65 65 ALA CA C 103 51.130 53.664 -2.534 1
1 752 . 11 1 1 A 65 65 ALA CB C 103 16.230 19.338 -3.108 1
1 753 . 11 1 1 A 65 65 ALA N N 103 123.910 123.454 0.456 1
1 754 . 11 1 1 A 66 66 GLY H H 104 8.220 7.578 0.642 1
1 755 . 11 1 1 A 66 66 GLY HA2 H 104 3.883 3.988 -0.105 1
1 756 . 11 1 1 A 66 66 GLY C C 104 172.222 174.155 -1.933 1
1 757 . 11 1 1 A 66 66 GLY CA C 104 43.170 45.466 -2.296 1
1 758 . 11 1 1 A 66 66 GLY N N 104 106.420 105.663 0.757 1
1 759 . 11 1 1 A 67 67 LEU H H 105 7.890 7.841 0.049 1
1 760 . 11 1 1 A 67 67 LEU HA H 105 4.290 4.616 -0.326 1
1 770 . 11 1 1 A 67 67 LEU C C 105 175.406 176.769 -1.363 1
1 771 . 11 1 1 A 67 67 LEU CA C 105 53.110 55.175 -2.065 1
1 772 . 11 1 1 A 67 67 LEU CB C 105 39.740 42.822 -3.082 1
1 776 . 11 1 1 A 67 67 LEU N N 105 120.570 117.116 3.454 1
1 777 . 11 1 1 A 68 68 THR H H 106 7.940 7.623 0.317 1
1 778 . 11 1 1 A 68 68 THR HA H 106 4.330 4.655 -0.325 1
1 783 . 11 1 1 A 68 68 THR C C 106 172.806 174.550 -1.744 1
1 784 . 11 1 1 A 68 68 THR CA C 106 59.700 60.921 -1.221 1
1 785 . 11 1 1 A 68 68 THR CB C 106 67.140 68.786 -1.646 1
1 787 . 11 1 1 A 68 68 THR N N 106 111.750 111.650 0.100 1
1 788 . 11 1 1 A 69 69 GLY H H 107 8.340 7.799 0.541 1
1 789 . 11 1 1 A 69 69 GLY HA2 H 107 3.940 3.708 0.232 1
1 790 . 11 1 1 A 69 69 GLY C C 107 171.503 174.789 -3.286 1
1 791 . 11 1 1 A 69 69 GLY CA C 107 42.990 45.786 -2.796 1
1 792 . 11 1 1 A 69 69 GLY N N 107 110.910 110.415 0.495 1
1 793 . 11 1 1 A 70 70 ARG H H 108 7.930 8.694 -0.764 1
1 794 . 11 1 1 A 70 70 ARG HA H 108 4.355 3.985 0.370 1
1 801 . 11 1 1 A 70 70 ARG C C 108 173.543 175.919 -2.376 1
1 802 . 11 1 1 A 70 70 ARG CA C 108 53.170 58.125 -4.955 1
1 803 . 11 1 1 A 70 70 ARG CB C 108 28.470 28.131 0.339 1
1 806 . 11 1 1 A 70 70 ARG N N 108 119.900 121.344 -1.444 1
1 807 . 11 1 1 A 71 71 SER H H 109 8.400 8.061 0.339 1
1 808 . 11 1 1 A 71 71 SER HA H 109 4.409 4.585 -0.176 1
1 811 . 11 1 1 A 71 71 SER C C 109 172.430 173.235 -0.805 1
1 812 . 11 1 1 A 71 71 SER CA C 109 55.630 57.704 -2.074 1
1 813 . 11 1 1 A 71 71 SER CB C 109 61.060 61.640 -0.580 1
1 814 . 11 1 1 A 71 71 SER N N 109 116.970 116.235 0.735 1
1 815 . 11 1 1 A 72 72 MET H H 110 8.590 8.195 0.395 1
1 816 . 11 1 1 A 72 72 MET HA H 110 4.394 4.626 -0.232 1
1 822 . 11 1 1 A 72 72 MET C C 110 173.487 173.956 -0.469 1
1 823 . 11 1 1 A 72 72 MET CA C 110 53.320 53.934 -0.614 1
1 824 . 11 1 1 A 72 72 MET CB C 110 29.300 31.072 -1.772 1
1 825 . 11 1 1 A 72 72 MET N N 110 122.250 124.379 -2.129 1
1 826 . 11 1 1 A 73 73 ASP H H 111 8.260 8.823 -0.563 1
1 827 . 11 1 1 A 73 73 ASP HA H 111 4.514 4.918 -0.404 1
1 830 . 11 1 1 A 73 73 ASP C C 111 173.886 175.580 -1.694 1
1 831 . 11 1 1 A 73 73 ASP CA C 111 52.150 52.737 -0.587 1
1 832 . 11 1 1 A 73 73 ASP CB C 111 38.310 40.278 -1.968 1
1 833 . 11 1 1 A 73 73 ASP N N 111 119.420 126.319 -6.899 1
1 834 . 11 1 1 A 74 74 THR H H 112 7.900 8.133 -0.233 1
1 835 . 11 1 1 A 74 74 THR HA H 112 4.142 4.559 -0.417 1
1 840 . 11 1 1 A 74 74 THR C C 112 172.029 175.054 -3.025 1
1 841 . 11 1 1 A 74 74 THR CA C 112 59.640 63.435 -3.795 1
1 842 . 11 1 1 A 74 74 THR CB C 112 66.820 71.118 -4.298 1
1 844 . 11 1 1 A 74 74 THR N N 112 112.950 115.599 -2.649 1
1 845 . 11 1 1 A 75 75 VAL H H 113 7.840 8.067 -0.227 1
1 846 . 11 1 1 A 75 75 VAL HA H 113 3.950 3.782 0.168 1
1 854 . 11 1 1 A 75 75 VAL C C 113 173.067 175.656 -2.589 1
1 855 . 11 1 1 A 75 75 VAL CA C 113 60.070 63.574 -3.504 1
1 856 . 11 1 1 A 75 75 VAL CB C 113 29.740 30.700 -0.960 1
1 859 . 11 1 1 A 75 75 VAL N N 113 121.540 121.400 0.140 1
1 860 . 11 1 1 A 76 76 SER H H 114 8.020 7.915 0.105 1
1 861 . 11 1 1 A 76 76 SER HA H 114 3.974 4.761 -0.787 1
1 864 . 11 1 1 A 76 76 SER C C 114 171.259 171.974 -0.715 1
1 865 . 11 1 1 A 76 76 SER CA C 114 55.100 56.911 -1.811 1
1 866 . 11 1 1 A 76 76 SER CB C 114 61.160 63.951 -2.791 1
1 867 . 11 1 1 A 76 76 SER N N 114 117.830 116.337 1.493 1
1 868 . 11 1 1 A 77 77 TYR H H 115 7.770 8.215 -0.445 1
1 869 . 11 1 1 A 77 77 TYR HA H 115 4.240 4.920 -0.680 1
1 874 . 11 1 1 A 77 77 TYR C C 115 172.865 176.290 -3.425 1
1 875 . 11 1 1 A 77 77 TYR CA C 115 55.100 56.134 -1.034 1
1 876 . 11 1 1 A 77 77 TYR CB C 115 36.110 41.262 -5.152 1
1 877 . 11 1 1 A 77 77 TYR N N 115 121.280 119.206 2.074 1
1 878 . 11 1 1 A 78 78 ASN HA H 116 4.790 4.407 0.383 1
1 883 . 11 1 1 A 78 78 ASN C C 116 172.080 175.822 -3.742 1
1 884 . 11 1 1 A 78 78 ASN CA C 116 48.910 53.497 -4.587 1
1 885 . 11 1 1 A 78 78 ASN CB C 116 35.500 37.472 -1.972 1
1 886 . 11 1 1 A 78 78 ASN N N 116 112.900 117.702 -4.802 1
1 887 . 11 1 1 A 79 79 PHE H H 117 7.410 7.107 0.303 1
1 888 . 11 1 1 A 79 79 PHE HA H 117 4.440 4.032 0.408 1
1 895 . 11 1 1 A 79 79 PHE C C 117 174.370 177.956 -3.586 1
1 896 . 11 1 1 A 79 79 PHE CA C 117 56.890 60.526 -3.636 1
1 897 . 11 1 1 A 79 79 PHE CB C 117 34.540 38.536 -3.996 1
1 898 . 11 1 1 A 79 79 PHE N N 117 121.190 120.661 0.529 1
1 899 . 11 1 1 A 80 80 ALA H H 118 8.560 7.968 0.592 1
1 900 . 11 1 1 A 80 80 ALA HA H 118 4.140 3.974 0.166 1
1 904 . 11 1 1 A 80 80 ALA C C 118 176.482 179.257 -2.775 1
1 905 . 11 1 1 A 80 80 ALA CA C 118 52.430 55.101 -2.671 1
1 906 . 11 1 1 A 80 80 ALA CB C 118 16.160 17.724 -1.564 1
1 907 . 11 1 1 A 80 80 ALA N N 118 115.100 121.630 -6.530 1
1 908 . 11 1 1 A 81 81 THR H H 119 7.330 7.612 -0.282 1
1 909 . 11 1 1 A 81 81 THR HA H 119 4.450 4.233 0.217 1
1 914 . 11 1 1 A 81 81 THR C C 119 172.909 174.445 -1.536 1
1 915 . 11 1 1 A 81 81 THR CA C 119 59.270 63.588 -4.318 1
1 916 . 11 1 1 A 81 81 THR CB C 119 66.770 68.455 -1.685 1
1 918 . 11 1 1 A 81 81 THR N N 119 104.710 113.092 -8.382 1
1 919 . 11 1 1 A 82 82 GLU H H 120 7.890 7.271 0.619 1
1 920 . 11 1 1 A 82 82 GLU HA H 120 4.260 4.160 0.100 1
1 924 . 11 1 1 A 82 82 GLU C C 120 177.060 176.054 1.006 1
1 925 . 11 1 1 A 82 82 GLU CA C 120 54.740 57.352 -2.612 1
1 926 . 11 1 1 A 82 82 GLU N N 120 120.760 119.381 1.379 1
1 927 . 11 1 1 A 83 83 ILE H H 121 7.630 7.190 0.440 1
1 928 . 11 1 1 A 83 83 ILE HA H 121 3.330 4.096 -0.766 1
1 938 . 11 1 1 A 83 83 ILE CA C 121 57.580 60.124 -2.544 1
1 939 . 11 1 1 A 83 83 ILE CB C 121 35.770 37.801 -2.031 1
1 943 . 11 1 1 A 83 83 ILE N N 121 118.900 117.238 1.662 1
1 944 . 11 1 1 A 84 84 PRO HA H 122 4.200 4.440 -0.240 1
1 951 . 11 1 1 A 84 84 PRO CA C 122 60.510 62.388 -1.878 1
1 952 . 11 1 1 A 84 84 PRO CB C 122 27.260 32.103 -4.843 1
1 955 . 11 1 1 A 86 86 THR HA H 124 3.869 4.056 -0.187 1
1 960 . 11 1 1 A 86 86 THR C C 124 172.991 176.643 -3.652 1
1 961 . 11 1 1 A 86 86 THR CA C 124 61.980 66.145 -4.165 1
1 962 . 11 1 1 A 86 86 THR CB C 124 65.710 69.103 -3.393 1
1 964 . 11 1 1 A 87 87 ILE H H 125 7.340 7.977 -0.637 1
1 965 . 11 1 1 A 87 87 ILE HA H 125 3.920 3.765 0.155 1
1 975 . 11 1 1 A 87 87 ILE C C 125 175.375 178.270 -2.895 1
1 976 . 11 1 1 A 87 87 ILE CA C 125 61.900 64.442 -2.542 1
1 977 . 11 1 1 A 87 87 ILE CB C 125 35.690 37.383 -1.693 1
1 981 . 11 1 1 A 87 87 ILE N N 125 120.800 120.798 0.002 1
1 982 . 11 1 1 A 88 88 LEU HA H 126 4.070 4.112 -0.042 1
1 992 . 11 1 1 A 88 88 LEU C C 126 177.060 178.310 -1.250 1
1 993 . 11 1 1 A 88 88 LEU CA C 126 55.950 58.115 -2.165 1
1 994 . 11 1 1 A 88 88 LEU CB C 126 39.710 41.402 -1.692 1
1 998 . 11 1 1 A 89 89 LYS H H 127 8.095 7.781 0.314 1
1 999 . 11 1 1 A 89 89 LYS HA H 127 4.030 3.899 0.131 1
1 1008 . 11 1 1 A 89 89 LYS C C 127 176.400 179.123 -2.723 1
1 1009 . 11 1 1 A 89 89 LYS CA C 127 56.010 59.166 -3.156 1
1 1010 . 11 1 1 A 89 89 LYS CB C 127 29.650 31.594 -1.944 1
1 1014 . 11 1 1 A 89 89 LYS N N 127 116.100 118.856 -2.756 1
1 1015 . 11 1 1 A 90 90 LYS H H 128 7.848 7.512 0.336 1
1 1016 . 11 1 1 A 90 90 LYS HA H 128 4.160 3.979 0.181 1
1 1019 . 11 1 1 A 90 90 LYS C C 128 174.859 178.699 -3.840 1
1 1020 . 11 1 1 A 90 90 LYS CA C 128 54.750 58.067 -3.317 1
1 1021 . 11 1 1 A 90 90 LYS CB C 128 29.280 32.169 -2.889 1
1 1022 . 11 1 1 A 90 90 LYS N N 128 119.230 118.847 0.383 1
1 1023 . 11 1 1 A 91 91 LEU H H 129 7.640 7.171 0.469 1
1 1024 . 11 1 1 A 91 91 LEU HA H 129 4.250 2.170 2.080 1
1 1034 . 11 1 1 A 91 91 LEU CA C 129 52.280 57.207 -4.927 1
1 1035 . 11 1 1 A 91 91 LEU CB C 129 39.000 41.242 -2.242 1
1 1039 . 11 1 1 A 91 91 LEU N N 129 112.650 120.982 -8.332 1
1 1040 . 11 1 1 A 92 92 ASN H H 130 7.560 7.190 0.370 1
1 1041 . 11 1 1 A 92 92 ASN HA H 130 4.300 3.540 0.760 1
1 1046 . 11 1 1 A 92 92 ASN C C 130 172.034 175.646 -3.612 1
1 1047 . 11 1 1 A 92 92 ASN CA C 130 55.070 56.873 -1.803 1
1 1048 . 11 1 1 A 92 92 ASN CB C 130 32.670 37.315 -4.645 1
1 1049 . 11 1 1 A 92 92 ASN N N 130 111.100 116.151 -5.051 1
1 1051 . 11 1 1 A 93 93 PRO HA H 131 4.220 4.204 0.016 1
1 1058 . 11 1 1 A 93 93 PRO C C 131 173.540 177.700 -4.160 1
1 1059 . 11 1 1 A 93 93 PRO CA C 131 62.300 64.481 -2.181 1
1 1060 . 11 1 1 A 93 93 PRO CB C 131 28.140 31.597 -3.457 1
1 1062 . 11 1 1 A 94 94 TYR H H 132 7.630 7.813 -0.183 1
1 1063 . 11 1 1 A 94 94 TYR HA H 132 4.630 4.536 0.094 1
1 1068 . 11 1 1 A 94 94 TYR C C 132 172.700 176.875 -4.175 1
1 1069 . 11 1 1 A 94 94 TYR CA C 132 54.130 57.628 -3.498 1
1 1070 . 11 1 1 A 94 94 TYR CB C 132 36.500 39.825 -3.325 1
1 1071 . 11 1 1 A 94 94 TYR N N 132 114.100 118.654 -4.554 1
1 1072 . 11 1 1 A 95 95 ARG H H 133 7.250 9.046 -1.796 1
1 1073 . 11 1 1 A 95 95 ARG HA H 133 4.290 4.245 0.045 1
1 1081 . 11 1 1 A 95 95 ARG C C 133 173.763 177.356 -3.593 1
1 1082 . 11 1 1 A 95 95 ARG CA C 133 54.740 58.660 -3.920 1
1 1083 . 11 1 1 A 95 95 ARG CB C 133 27.880 30.253 -2.373 1
1 1086 . 11 1 1 A 95 95 ARG N N 133 119.390 120.328 -0.938 1
1 1088 . 11 1 1 A 96 96 LYS H H 134 8.658 7.957 0.701 1
1 1089 . 11 1 1 A 96 96 LYS HA H 134 4.490 4.439 0.051 1
1 1098 . 11 1 1 A 96 96 LYS C C 134 173.560 176.873 -3.313 1
1 1099 . 11 1 1 A 96 96 LYS CA C 134 52.580 56.093 -3.513 1
1 1100 . 11 1 1 A 96 96 LYS CB C 134 30.590 31.961 -1.371 1
1 1104 . 11 1 1 A 96 96 LYS N N 134 125.000 119.388 5.612 1
1 1105 . 11 1 1 A 97 97 MET H H 135 8.330 7.769 0.561 1
1 1106 . 11 1 1 A 97 97 MET HA H 135 4.420 4.651 -0.231 1
1 1114 . 11 1 1 A 97 97 MET C C 135 172.970 175.962 -2.992 1
1 1115 . 11 1 1 A 97 97 MET CA C 135 52.490 57.777 -5.287 1
1 1116 . 11 1 1 A 97 97 MET CB C 135 30.530 34.167 -3.637 1
1 1118 . 11 1 1 A 97 97 MET N N 135 120.890 119.069 1.821 1
1 1119 . 11 1 1 A 98 98 ALA H H 136 8.290 7.984 0.306 1
1 1120 . 11 1 1 A 98 98 ALA HA H 136 4.180 4.046 0.134 1
1 1124 . 11 1 1 A 98 98 ALA C C 136 173.767 175.982 -2.215 1
1 1125 . 11 1 1 A 98 98 ALA CA C 136 49.750 53.247 -3.497 1
1 1126 . 11 1 1 A 98 98 ALA CB C 136 16.350 17.484 -1.134 1
1 1127 . 11 1 1 A 98 98 ALA N N 136 126.050 120.624 5.426 1
1 1 . 12 1 1 A 3 3 VAL HA H 41 3.360 3.791 -0.431 1
1 9 . 12 1 1 A 3 3 VAL CA C 41 64.070 65.500 -1.430 1
1 10 . 12 1 1 A 3 3 VAL CB C 41 28.620 31.593 -2.973 1
1 13 . 12 1 1 A 4 4 LYS H H 42 8.223 7.970 0.253 1
1 14 . 12 1 1 A 4 4 LYS HA H 42 3.610 3.994 -0.384 1
1 21 . 12 1 1 A 4 4 LYS C C 42 175.928 179.487 -3.559 1
1 22 . 12 1 1 A 4 4 LYS CA C 42 58.640 59.726 -1.086 1
1 23 . 12 1 1 A 4 4 LYS CB C 42 28.640 32.045 -3.405 1
1 25 . 12 1 1 A 4 4 LYS N N 42 118.080 122.385 -4.305 1
1 26 . 12 1 1 A 5 5 ARG H H 43 7.920 7.846 0.074 1
1 27 . 12 1 1 A 5 5 ARG HA H 43 4.060 4.050 0.010 1
1 34 . 12 1 1 A 5 5 ARG C C 43 177.798 178.406 -0.608 1
1 35 . 12 1 1 A 5 5 ARG CA C 43 56.640 58.567 -1.927 1
1 36 . 12 1 1 A 5 5 ARG CB C 43 27.200 29.998 -2.798 1
1 38 . 12 1 1 A 5 5 ARG N N 43 117.720 120.501 -2.781 1
1 39 . 12 1 1 A 6 6 LEU H H 44 7.660 7.860 -0.200 1
1 40 . 12 1 1 A 6 6 LEU HA H 44 4.100 4.045 0.055 1
1 50 . 12 1 1 A 6 6 LEU C C 44 176.114 178.761 -2.647 1
1 51 . 12 1 1 A 6 6 LEU CA C 44 55.100 58.025 -2.925 1
1 52 . 12 1 1 A 6 6 LEU CB C 44 39.570 41.842 -2.272 1
1 56 . 12 1 1 A 6 6 LEU N N 44 121.040 120.781 0.259 1
1 57 . 12 1 1 A 7 7 LEU H H 45 7.520 7.848 -0.328 1
1 58 . 12 1 1 A 7 7 LEU HA H 45 4.350 4.200 0.150 1
1 68 . 12 1 1 A 7 7 LEU C C 45 172.937 179.057 -6.120 1
1 69 . 12 1 1 A 7 7 LEU CA C 45 51.480 55.991 -4.511 1
1 70 . 12 1 1 A 7 7 LEU CB C 45 40.300 41.796 -1.496 1
1 74 . 12 1 1 A 7 7 LEU N N 45 116.660 117.905 -1.245 1
1 75 . 12 1 1 A 8 8 SER H H 46 7.840 7.890 -0.050 1
1 76 . 12 1 1 A 8 8 SER HA H 46 3.960 4.297 -0.337 1
1 79 . 12 1 1 A 8 8 SER CA C 46 56.360 60.740 -4.380 1
1 80 . 12 1 1 A 8 8 SER CB C 46 58.870 62.788 -3.918 1
1 81 . 12 1 1 A 8 8 SER N N 46 113.750 115.603 -1.853 1
1 82 . 12 1 1 A 9 9 ILE H H 47 8.290 7.401 0.889 1
1 83 . 12 1 1 A 9 9 ILE HA H 47 4.230 4.418 -0.188 1
1 93 . 12 1 1 A 9 9 ILE C C 47 174.540 175.719 -1.179 1
1 94 . 12 1 1 A 9 9 ILE CA C 47 58.680 61.939 -3.259 1
1 95 . 12 1 1 A 9 9 ILE CB C 47 36.912 39.065 -2.153 1
1 99 . 12 1 1 A 9 9 ILE N N 47 119.850 112.964 6.886 1
1 100 . 12 1 1 A 10 10 THR H H 48 8.760 8.064 0.696 1
1 101 . 12 1 1 A 10 10 THR HA H 48 4.465 4.403 0.062 1
1 106 . 12 1 1 A 10 10 THR C C 48 171.266 174.385 -3.119 1
1 107 . 12 1 1 A 10 10 THR CA C 48 58.390 61.600 -3.210 1
1 108 . 12 1 1 A 10 10 THR CB C 48 66.310 66.268 0.042 1
1 110 . 12 1 1 A 10 10 THR N N 48 117.590 116.812 0.778 1
1 111 . 12 1 1 A 11 11 ASN H H 49 7.360 8.012 -0.652 1
1 112 . 12 1 1 A 11 11 ASN HA H 49 4.909 4.838 0.071 1
1 117 . 12 1 1 A 11 11 ASN C C 49 172.506 175.040 -2.534 1
1 118 . 12 1 1 A 11 11 ASN CA C 49 49.430 54.100 -4.670 1
1 119 . 12 1 1 A 11 11 ASN CB C 49 37.420 41.309 -3.889 1
1 120 . 12 1 1 A 11 11 ASN N N 49 113.560 121.389 -7.829 1
1 122 . 12 1 1 A 12 12 ASP H H 50 8.256 8.912 -0.656 1
1 123 . 12 1 1 A 12 12 ASP HA H 50 4.650 4.733 -0.083 1
1 126 . 12 1 1 A 12 12 ASP C C 50 176.400 177.125 -0.725 1
1 127 . 12 1 1 A 12 12 ASP CA C 50 51.210 53.446 -2.236 1
1 128 . 12 1 1 A 12 12 ASP CB C 50 38.080 41.589 -3.509 1
1 129 . 12 1 1 A 12 12 ASP N N 50 117.210 119.684 -2.474 1
1 130 . 12 1 1 A 13 13 LYS H H 51 7.895 8.829 -0.934 1
1 131 . 12 1 1 A 13 13 LYS HA H 51 3.840 4.154 -0.314 1
1 140 . 12 1 1 A 13 13 LYS C C 51 174.700 178.772 -4.072 1
1 141 . 12 1 1 A 13 13 LYS CA C 51 56.320 59.194 -2.874 1
1 142 . 12 1 1 A 13 13 LYS CB C 51 29.760 32.473 -2.713 1
1 146 . 12 1 1 A 13 13 LYS N N 51 120.500 121.055 -0.555 1
1 147 . 12 1 1 A 14 14 HIS H H 52 9.000 8.314 0.686 1
1 148 . 12 1 1 A 14 14 HIS HA H 52 5.120 4.618 0.502 1
1 152 . 12 1 1 A 14 14 HIS C C 52 173.200 176.906 -3.706 1
1 153 . 12 1 1 A 14 14 HIS CA C 52 52.370 58.952 -6.582 1
1 154 . 12 1 1 A 14 14 HIS CB C 52 27.520 28.678 -1.158 1
1 155 . 12 1 1 A 14 14 HIS N N 52 116.200 118.320 -2.120 1
1 156 . 12 1 1 A 15 15 ASP H H 53 7.640 8.368 -0.728 1
1 157 . 12 1 1 A 15 15 ASP HA H 53 4.120 4.283 -0.163 1
1 160 . 12 1 1 A 15 15 ASP C C 53 176.183 178.500 -2.317 1
1 161 . 12 1 1 A 15 15 ASP CA C 53 56.060 57.436 -1.376 1
1 162 . 12 1 1 A 15 15 ASP CB C 53 36.350 41.410 -5.060 1
1 163 . 12 1 1 A 15 15 ASP N N 53 122.780 121.111 1.669 1
1 164 . 12 1 1 A 16 16 GLU H H 54 8.890 8.010 0.880 1
1 165 . 12 1 1 A 16 16 GLU HA H 54 4.020 4.100 -0.080 1
1 170 . 12 1 1 A 16 16 GLU CA C 54 57.770 59.510 -1.740 1
1 171 . 12 1 1 A 16 16 GLU CB C 54 26.330 29.467 -3.137 1
1 173 . 12 1 1 A 16 16 GLU N N 54 122.770 119.396 3.374 1
1 174 . 12 1 1 A 17 17 TYR H H 55 8.130 8.256 -0.126 1
1 175 . 12 1 1 A 17 17 TYR HA H 55 4.390 4.200 0.190 1
1 180 . 12 1 1 A 17 17 TYR C C 55 175.213 177.634 -2.421 1
1 181 . 12 1 1 A 17 17 TYR CA C 55 58.150 61.439 -3.289 1
1 182 . 12 1 1 A 17 17 TYR CB C 55 36.000 38.628 -2.628 1
1 185 . 12 1 1 A 17 17 TYR N N 55 121.000 120.712 0.288 1
1 186 . 12 1 1 A 18 18 LEU H H 56 8.740 8.596 0.144 1
1 187 . 12 1 1 A 18 18 LEU HA H 56 3.710 3.682 0.028 1
1 197 . 12 1 1 A 18 18 LEU C C 56 175.500 178.909 -3.409 1
1 198 . 12 1 1 A 18 18 LEU CA C 56 55.470 58.014 -2.544 1
1 199 . 12 1 1 A 18 18 LEU CB C 56 39.920 41.194 -1.274 1
1 203 . 12 1 1 A 18 18 LEU N N 56 118.100 119.882 -1.782 1
1 204 . 12 1 1 A 19 19 THR H H 57 8.420 7.490 0.930 1
1 205 . 12 1 1 A 19 19 THR HA H 57 3.820 3.764 0.056 1
1 210 . 12 1 1 A 19 19 THR C C 57 172.234 176.747 -4.513 1
1 211 . 12 1 1 A 19 19 THR CA C 57 64.220 66.246 -2.026 1
1 212 . 12 1 1 A 19 19 THR CB C 57 66.050 68.940 -2.890 1
1 214 . 12 1 1 A 19 19 THR N N 57 114.940 115.482 -0.542 1
1 215 . 12 1 1 A 20 20 GLU H H 58 7.087 7.941 -0.854 1
1 216 . 12 1 1 A 20 20 GLU HA H 58 4.320 3.982 0.338 1
1 221 . 12 1 1 A 20 20 GLU C C 58 175.554 179.492 -3.938 1
1 222 . 12 1 1 A 20 20 GLU CA C 58 55.170 59.669 -4.499 1
1 223 . 12 1 1 A 20 20 GLU CB C 58 27.920 29.239 -1.319 1
1 225 . 12 1 1 A 20 20 GLU N N 58 117.800 120.229 -2.429 1
1 226 . 12 1 1 A 21 21 MET H H 59 8.320 7.672 0.648 1
1 227 . 12 1 1 A 21 21 MET HA H 59 4.330 4.020 0.310 1
1 235 . 12 1 1 A 21 21 MET C C 59 175.330 178.212 -2.882 1
1 236 . 12 1 1 A 21 21 MET CA C 59 54.270 57.675 -3.405 1
1 237 . 12 1 1 A 21 21 MET CB C 59 30.620 31.135 -0.515 1
1 240 . 12 1 1 A 21 21 MET N N 59 116.300 118.852 -2.552 1
1 241 . 12 1 1 A 22 22 VAL H H 60 8.800 7.601 1.199 1
1 242 . 12 1 1 A 22 22 VAL HA H 60 3.630 3.793 -0.163 1
1 250 . 12 1 1 A 22 22 VAL C C 60 172.042 176.367 -4.325 1
1 251 . 12 1 1 A 22 22 VAL CA C 60 66.980 66.258 0.722 1
1 252 . 12 1 1 A 22 22 VAL CB C 60 26.120 31.062 -4.942 1
1 255 . 12 1 1 A 22 22 VAL N N 60 117.600 117.921 -0.321 1
1 256 . 12 1 1 A 23 23 PRO HA H 61 4.270 4.455 -0.185 1
1 263 . 12 1 1 A 23 23 PRO C C 61 177.110 179.138 -2.028 1
1 264 . 12 1 1 A 23 23 PRO CA C 61 63.460 65.490 -2.030 1
1 265 . 12 1 1 A 23 23 PRO CB C 61 28.400 31.497 -3.097 1
1 267 . 12 1 1 A 24 24 LEU H H 62 6.700 7.307 -0.607 1
1 268 . 12 1 1 A 24 24 LEU HA H 62 4.250 4.087 0.163 1
1 278 . 12 1 1 A 24 24 LEU C C 62 177.872 179.339 -1.467 1
1 279 . 12 1 1 A 24 24 LEU CA C 62 55.130 58.009 -2.879 1
1 280 . 12 1 1 A 24 24 LEU CB C 62 39.440 42.020 -2.580 1
1 284 . 12 1 1 A 24 24 LEU N N 62 115.750 117.870 -2.120 1
1 285 . 12 1 1 A 25 25 LEU H H 63 8.190 8.591 -0.401 1
1 286 . 12 1 1 A 25 25 LEU HA H 63 3.920 4.177 -0.257 1
1 296 . 12 1 1 A 25 25 LEU C C 63 176.367 178.587 -2.220 1
1 297 . 12 1 1 A 25 25 LEU CA C 63 54.950 58.224 -3.274 1
1 298 . 12 1 1 A 25 25 LEU CB C 63 41.090 41.987 -0.897 1
1 302 . 12 1 1 A 25 25 LEU N N 63 121.800 120.265 1.535 1
1 303 . 12 1 1 A 26 26 VAL H H 64 8.590 8.587 0.003 1
1 304 . 12 1 1 A 26 26 VAL HA H 64 3.480 3.655 -0.175 1
1 312 . 12 1 1 A 26 26 VAL C C 64 174.801 178.178 -3.377 1
1 313 . 12 1 1 A 26 26 VAL CA C 64 64.860 67.257 -2.397 1
1 314 . 12 1 1 A 26 26 VAL CB C 64 28.900 31.365 -2.465 1
1 317 . 12 1 1 A 26 26 VAL N N 64 120.990 119.285 1.705 1
1 318 . 12 1 1 A 27 27 GLU H H 65 8.090 7.952 0.138 1
1 319 . 12 1 1 A 27 27 GLU HA H 65 3.970 4.430 -0.460 1
1 324 . 12 1 1 A 27 27 GLU C C 65 176.169 178.942 -2.773 1
1 325 . 12 1 1 A 27 27 GLU CA C 65 56.990 59.362 -2.372 1
1 326 . 12 1 1 A 27 27 GLU CB C 65 26.540 29.344 -2.804 1
1 328 . 12 1 1 A 27 27 GLU N N 65 118.990 120.490 -1.500 1
1 329 . 12 1 1 A 28 28 PHE H H 66 8.075 8.008 0.067 1
1 330 . 12 1 1 A 28 28 PHE HA H 66 4.570 4.284 0.286 1
1 337 . 12 1 1 A 28 28 PHE C C 66 173.482 177.344 -3.862 1
1 338 . 12 1 1 A 28 28 PHE CA C 66 58.390 61.749 -3.359 1
1 339 . 12 1 1 A 28 28 PHE CB C 66 36.680 39.372 -2.692 1
1 340 . 12 1 1 A 28 28 PHE N N 66 119.000 121.200 -2.200 1
1 341 . 12 1 1 A 29 29 ALA H H 67 8.420 8.745 -0.325 1
1 342 . 12 1 1 A 29 29 ALA HA H 67 3.500 3.674 -0.174 1
1 346 . 12 1 1 A 29 29 ALA C C 67 176.624 179.751 -3.127 1
1 347 . 12 1 1 A 29 29 ALA CA C 67 52.800 54.966 -2.166 1
1 348 . 12 1 1 A 29 29 ALA CB C 67 15.290 18.123 -2.833 1
1 349 . 12 1 1 A 29 29 ALA N N 67 121.810 121.081 0.729 1
1 350 . 12 1 1 A 30 30 LYS H H 68 8.227 7.870 0.357 1
1 351 . 12 1 1 A 30 30 LYS HA H 68 4.090 4.051 0.039 1
1 360 . 12 1 1 A 30 30 LYS C C 68 177.400 178.841 -1.441 1
1 361 . 12 1 1 A 30 30 LYS CA C 68 56.700 59.188 -2.488 1
1 362 . 12 1 1 A 30 30 LYS CB C 68 31.230 31.745 -0.515 1
1 366 . 12 1 1 A 30 30 LYS N N 68 117.500 118.538 -1.038 1
1 367 . 12 1 1 A 31 31 ASP H H 69 7.820 8.301 -0.481 1
1 368 . 12 1 1 A 31 31 ASP HA H 69 4.210 4.679 -0.469 1
1 371 . 12 1 1 A 31 31 ASP C C 69 176.438 178.641 -2.203 1
1 372 . 12 1 1 A 31 31 ASP CA C 69 54.310 57.028 -2.718 1
1 373 . 12 1 1 A 31 31 ASP CB C 69 38.320 41.378 -3.058 1
1 374 . 12 1 1 A 31 31 ASP N N 69 120.370 120.230 0.140 1
1 375 . 12 1 1 A 32 32 GLU H H 70 8.840 8.311 0.529 1
1 376 . 12 1 1 A 32 32 GLU HA H 70 3.730 4.067 -0.337 1
1 381 . 12 1 1 A 32 32 GLU C C 70 176.119 177.746 -1.627 1
1 382 . 12 1 1 A 32 32 GLU CA C 70 55.270 58.792 -3.522 1
1 383 . 12 1 1 A 32 32 GLU CB C 70 26.810 29.410 -2.600 1
1 385 . 12 1 1 A 32 32 GLU N N 70 120.750 118.367 2.383 1
1 386 . 12 1 1 A 33 33 CYS H H 71 7.960 7.888 0.072 1
1 387 . 12 1 1 A 33 33 CYS HA H 71 4.070 4.637 -0.567 1
1 390 . 12 1 1 A 33 33 CYS C C 71 170.993 174.755 -3.762 1
1 391 . 12 1 1 A 33 33 CYS CA C 71 58.160 58.571 -0.411 1
1 392 . 12 1 1 A 33 33 CYS CB C 71 26.000 27.756 -1.756 1
1 393 . 12 1 1 A 33 33 CYS N N 71 111.530 116.926 -5.396 1
1 394 . 12 1 1 A 34 34 HIS H H 72 7.560 8.211 -0.651 1
1 395 . 12 1 1 A 34 34 HIS HA H 72 4.040 4.545 -0.505 1
1 398 . 12 1 1 A 34 34 HIS C C 72 170.400 174.910 -4.510 1
1 399 . 12 1 1 A 34 34 HIS CA C 72 53.230 56.892 -3.662 1
1 400 . 12 1 1 A 34 34 HIS CB C 72 23.830 29.385 -5.555 1
1 401 . 12 1 1 A 34 34 HIS N N 72 118.100 118.676 -0.576 1
1 402 . 12 1 1 A 35 35 ASN H H 73 7.590 8.153 -0.563 1
1 403 . 12 1 1 A 35 35 ASN HA H 73 4.805 4.843 -0.038 1
1 408 . 12 1 1 A 35 35 ASN C C 73 170.429 175.713 -5.284 1
1 409 . 12 1 1 A 35 35 ASN CA C 73 46.130 51.530 -5.400 1
1 410 . 12 1 1 A 35 35 ASN CB C 73 39.580 38.532 1.048 1
1 411 . 12 1 1 A 35 35 ASN N N 73 112.400 118.932 -6.532 1
1 413 . 12 1 1 A 36 36 PRO HA H 74 4.120 4.152 -0.032 1
1 420 . 12 1 1 A 36 36 PRO C C 74 173.450 176.811 -3.361 1
1 421 . 12 1 1 A 36 36 PRO CA C 74 59.950 63.749 -3.799 1
1 422 . 12 1 1 A 36 36 PRO CB C 74 29.200 31.854 -2.654 1
1 425 . 12 1 1 A 37 37 PHE H H 75 8.057 7.830 0.227 1
1 426 . 12 1 1 A 37 37 PHE HA H 75 4.200 4.197 0.003 1
1 432 . 12 1 1 A 37 37 PHE C C 75 171.107 174.705 -3.598 1
1 433 . 12 1 1 A 37 37 PHE CA C 75 55.120 58.696 -3.576 1
1 434 . 12 1 1 A 37 37 PHE CB C 75 33.760 36.378 -2.618 1
1 436 . 12 1 1 A 38 38 ILE H H 76 7.610 7.651 -0.041 1
1 437 . 12 1 1 A 38 38 ILE HA H 76 4.870 4.731 0.139 1
1 447 . 12 1 1 A 38 38 ILE C C 76 174.180 175.128 -0.948 1
1 448 . 12 1 1 A 38 38 ILE CA C 76 56.300 59.628 -3.328 1
1 449 . 12 1 1 A 38 38 ILE CB C 76 38.040 40.092 -2.052 1
1 453 . 12 1 1 A 38 38 ILE N N 76 113.800 119.676 -5.876 1
1 454 . 12 1 1 A 39 39 ASP H H 77 8.830 9.025 -0.195 1
1 455 . 12 1 1 A 39 39 ASP HA H 77 4.710 4.999 -0.289 1
1 458 . 12 1 1 A 39 39 ASP C C 77 175.969 177.761 -1.792 1
1 459 . 12 1 1 A 39 39 ASP CA C 77 49.800 52.764 -2.964 1
1 460 . 12 1 1 A 39 39 ASP CB C 77 39.180 43.140 -3.960 1
1 461 . 12 1 1 A 39 39 ASP N N 77 125.380 124.900 0.480 1
1 462 . 12 1 1 A 40 40 LYS H H 78 8.370 9.007 -0.637 1
1 463 . 12 1 1 A 40 40 LYS HA H 78 4.100 4.089 0.011 1
1 468 . 12 1 1 A 40 40 LYS C C 78 174.100 176.872 -2.772 1
1 469 . 12 1 1 A 40 40 LYS CA C 78 55.800 58.453 -2.653 1
1 470 . 12 1 1 A 40 40 LYS CB C 78 29.120 31.700 -2.580 1
1 471 . 12 1 1 A 40 40 LYS N N 78 116.800 120.957 -4.157 1
1 472 . 12 1 1 A 41 41 ASP H H 79 8.030 7.789 0.241 1
1 473 . 12 1 1 A 41 41 ASP HA H 79 4.810 4.779 0.031 1
1 476 . 12 1 1 A 41 41 ASP C C 79 173.360 176.415 -3.055 1
1 477 . 12 1 1 A 41 41 ASP CA C 79 51.650 53.935 -2.285 1
1 478 . 12 1 1 A 41 41 ASP CB C 79 39.570 41.576 -2.006 1
1 479 . 12 1 1 A 41 41 ASP N N 79 118.660 119.992 -1.332 1
1 480 . 12 1 1 A 42 42 GLY H H 80 8.090 8.054 0.036 1
1 481 . 12 1 1 A 42 42 GLY HA2 H 80 4.230 3.937 0.293 1
1 482 . 12 1 1 A 42 42 GLY HA3 H 80 3.490 3.939 -0.449 1
1 483 . 12 1 1 A 42 42 GLY C C 80 171.399 174.504 -3.105 1
1 484 . 12 1 1 A 42 42 GLY CA C 80 42.720 45.602 -2.882 1
1 485 . 12 1 1 A 42 42 GLY N N 80 107.750 108.054 -0.304 1
1 486 . 12 1 1 A 43 43 ASN H H 81 8.470 7.973 0.497 1
1 487 . 12 1 1 A 43 43 ASN HA H 81 4.815 4.957 -0.142 1
1 492 . 12 1 1 A 43 43 ASN C C 81 172.066 174.646 -2.580 1
1 493 . 12 1 1 A 43 43 ASN CA C 81 49.580 52.544 -2.964 1
1 494 . 12 1 1 A 43 43 ASN CB C 81 36.800 40.267 -3.467 1
1 495 . 12 1 1 A 43 43 ASN N N 81 117.600 119.130 -1.530 1
1 497 . 12 1 1 A 44 44 GLU H H 82 8.730 8.673 0.057 1
1 498 . 12 1 1 A 44 44 GLU HA H 82 4.370 4.756 -0.386 1
1 503 . 12 1 1 A 44 44 GLU C C 82 173.651 175.471 -1.820 1
1 504 . 12 1 1 A 44 44 GLU CA C 82 55.170 56.110 -0.940 1
1 505 . 12 1 1 A 44 44 GLU CB C 82 27.740 31.446 -3.706 1
1 507 . 12 1 1 A 44 44 GLU N N 82 123.400 121.280 2.120 1
1 508 . 12 1 1 A 45 45 SER H H 83 8.960 9.632 -0.672 1
1 509 . 12 1 1 A 45 45 SER HA H 83 4.510 5.329 -0.819 1
1 512 . 12 1 1 A 45 45 SER C C 83 170.100 173.349 -3.249 1
1 513 . 12 1 1 A 45 45 SER CA C 83 53.800 56.487 -2.687 1
1 514 . 12 1 1 A 45 45 SER CB C 83 60.320 65.780 -5.460 1
1 515 . 12 1 1 A 45 45 SER N N 83 123.400 117.472 5.928 1
1 516 . 12 1 1 A 46 46 ILE H H 84 8.990 9.026 -0.036 1
1 517 . 12 1 1 A 46 46 ILE HA H 84 3.880 4.466 -0.586 1
1 527 . 12 1 1 A 46 46 ILE C C 84 177.600 174.293 3.307 1
1 528 . 12 1 1 A 46 46 ILE CA C 84 55.490 57.553 -2.063 1
1 529 . 12 1 1 A 46 46 ILE CB C 84 34.850 39.771 -4.921 1
1 533 . 12 1 1 A 46 46 ILE N N 84 127.800 126.814 0.986 1
1 534 . 12 1 1 A 47 47 PRO HA H 85 3.840 4.500 -0.660 1
1 541 . 12 1 1 A 47 47 PRO C C 85 172.918 176.967 -4.049 1
1 542 . 12 1 1 A 47 47 PRO CA C 85 61.880 62.149 -0.269 1
1 543 . 12 1 1 A 47 47 PRO CB C 85 34.920 32.894 2.026 1
1 546 . 12 1 1 A 48 48 SER H H 86 7.780 8.881 -1.101 1
1 547 . 12 1 1 A 48 48 SER C C 86 174.554 177.193 -2.639 1
1 548 . 12 1 1 A 49 49 GLY H H 87 8.230 8.184 0.046 1
1 549 . 12 1 1 A 49 49 GLY HA2 H 87 4.300 3.954 0.346 1
1 550 . 12 1 1 A 49 49 GLY HA3 H 87 3.950 3.984 -0.034 1
1 551 . 12 1 1 A 49 49 GLY C C 87 173.507 176.166 -2.659 1
1 552 . 12 1 1 A 49 49 GLY CA C 87 44.600 47.102 -2.502 1
1 553 . 12 1 1 A 49 49 GLY N N 87 105.900 109.688 -3.788 1
1 554 . 12 1 1 A 50 50 VAL H H 88 6.855 7.909 -1.054 1
1 555 . 12 1 1 A 50 50 VAL HA H 88 3.510 3.847 -0.337 1
1 563 . 12 1 1 A 50 50 VAL C C 88 174.450 178.157 -3.707 1
1 564 . 12 1 1 A 50 50 VAL CA C 88 62.420 65.743 -3.323 1
1 565 . 12 1 1 A 50 50 VAL CB C 88 28.000 31.211 -3.211 1
1 568 . 12 1 1 A 50 50 VAL N N 88 119.950 121.643 -1.693 1
1 569 . 12 1 1 A 51 51 LEU H H 89 7.360 7.790 -0.430 1
1 570 . 12 1 1 A 51 51 LEU HA H 89 3.570 4.101 -0.531 1
1 580 . 12 1 1 A 51 51 LEU C C 89 175.078 178.245 -3.167 1
1 581 . 12 1 1 A 51 51 LEU CA C 89 55.490 58.146 -2.656 1
1 582 . 12 1 1 A 51 51 LEU CB C 89 37.320 41.539 -4.219 1
1 586 . 12 1 1 A 51 51 LEU N N 89 122.100 121.783 0.317 1
1 587 . 12 1 1 A 52 52 ILE H H 90 7.770 8.030 -0.260 1
1 588 . 12 1 1 A 52 52 ILE HA H 90 3.600 3.789 -0.189 1
1 598 . 12 1 1 A 52 52 ILE C C 90 175.000 177.937 -2.937 1
1 599 . 12 1 1 A 52 52 ILE CA C 90 62.720 64.009 -1.289 1
1 600 . 12 1 1 A 52 52 ILE CB C 90 34.510 37.714 -3.204 1
1 604 . 12 1 1 A 52 52 ILE N N 90 117.460 119.058 -1.598 1
1 605 . 12 1 1 A 53 53 PHE H H 91 7.400 8.119 -0.719 1
1 606 . 12 1 1 A 53 53 PHE HA H 91 3.900 4.189 -0.289 1
1 613 . 12 1 1 A 53 53 PHE C C 91 172.073 177.051 -4.978 1
1 614 . 12 1 1 A 53 53 PHE CA C 91 59.340 61.388 -2.048 1
1 615 . 12 1 1 A 53 53 PHE CB C 91 35.540 39.087 -3.547 1
1 616 . 12 1 1 A 53 53 PHE N N 91 119.280 122.191 -2.911 1
1 617 . 12 1 1 A 54 54 VAL H H 92 8.450 8.269 0.181 1
1 618 . 12 1 1 A 54 54 VAL HA H 92 2.850 3.441 -0.591 1
1 626 . 12 1 1 A 54 54 VAL C C 92 174.300 177.831 -3.531 1
1 627 . 12 1 1 A 54 54 VAL CA C 92 63.860 65.118 -1.258 1
1 628 . 12 1 1 A 54 54 VAL CB C 92 28.570 31.149 -2.579 1
1 631 . 12 1 1 A 54 54 VAL N N 92 119.170 117.980 1.190 1
1 632 . 12 1 1 A 55 55 ALA H H 93 8.615 7.930 0.685 1
1 633 . 12 1 1 A 55 55 ALA HA H 93 3.750 3.849 -0.099 1
1 637 . 12 1 1 A 55 55 ALA C C 93 176.294 179.729 -3.435 1
1 638 . 12 1 1 A 55 55 ALA CA C 93 52.800 55.645 -2.845 1
1 639 . 12 1 1 A 55 55 ALA CB C 93 16.050 18.112 -2.062 1
1 640 . 12 1 1 A 55 55 ALA N N 93 120.170 123.540 -3.370 1
1 641 . 12 1 1 A 56 56 LYS H H 94 8.548 7.651 0.897 1
1 642 . 12 1 1 A 56 56 LYS HA H 94 3.980 4.004 -0.024 1
1 649 . 12 1 1 A 56 56 LYS C C 94 177.600 179.332 -1.732 1
1 650 . 12 1 1 A 56 56 LYS CA C 94 55.800 59.058 -3.258 1
1 651 . 12 1 1 A 56 56 LYS CB C 94 29.500 31.678 -2.178 1
1 654 . 12 1 1 A 56 56 LYS N N 94 115.200 117.173 -1.973 1
1 655 . 12 1 1 A 57 57 ALA H H 95 8.840 7.879 0.961 1
1 656 . 12 1 1 A 57 57 ALA HA H 95 3.940 4.028 -0.088 1
1 660 . 12 1 1 A 57 57 ALA C C 95 175.754 179.709 -3.955 1
1 661 . 12 1 1 A 57 57 ALA CA C 95 52.670 54.894 -2.224 1
1 662 . 12 1 1 A 57 57 ALA CB C 95 16.070 17.412 -1.342 1
1 663 . 12 1 1 A 57 57 ALA N N 95 124.210 122.287 1.923 1
1 664 . 12 1 1 A 58 58 ALA H H 96 8.816 7.483 1.333 1
1 665 . 12 1 1 A 58 58 ALA HA H 96 4.043 3.971 0.072 1
1 669 . 12 1 1 A 58 58 ALA C C 96 177.600 179.577 -1.977 1
1 670 . 12 1 1 A 58 58 ALA CA C 96 52.770 54.729 -1.959 1
1 671 . 12 1 1 A 58 58 ALA CB C 96 13.560 18.230 -4.670 1
1 672 . 12 1 1 A 58 58 ALA N N 96 120.500 120.115 0.385 1
1 673 . 12 1 1 A 59 59 GLN H H 97 8.490 7.989 0.501 1
1 674 . 12 1 1 A 59 59 GLN HA H 97 3.960 4.058 -0.098 1
1 681 . 12 1 1 A 59 59 GLN C C 97 175.100 178.181 -3.081 1
1 682 . 12 1 1 A 59 59 GLN CA C 97 56.370 58.066 -1.696 1
1 683 . 12 1 1 A 59 59 GLN CB C 97 26.500 27.807 -1.307 1
1 684 . 12 1 1 A 59 59 GLN N N 97 118.750 116.150 2.600 1
1 686 . 12 1 1 A 60 60 PHE H H 98 8.020 7.910 0.110 1
1 687 . 12 1 1 A 60 60 PHE HA H 98 4.120 4.192 -0.072 1
1 694 . 12 1 1 A 60 60 PHE C C 98 174.780 176.972 -2.192 1
1 695 . 12 1 1 A 60 60 PHE CA C 98 58.650 61.486 -2.836 1
1 696 . 12 1 1 A 60 60 PHE CB C 98 35.240 39.470 -4.230 1
1 697 . 12 1 1 A 60 60 PHE N N 98 122.380 121.733 0.647 1
1 698 . 12 1 1 A 61 61 TYR H H 99 7.900 8.250 -0.350 1
1 699 . 12 1 1 A 61 61 TYR HA H 99 3.900 4.146 -0.246 1
1 704 . 12 1 1 A 61 61 TYR C C 99 175.494 178.044 -2.550 1
1 705 . 12 1 1 A 61 61 TYR CA C 99 60.600 61.527 -0.927 1
1 706 . 12 1 1 A 61 61 TYR CB C 99 36.120 38.304 -2.184 1
1 707 . 12 1 1 A 61 61 TYR N N 99 118.100 119.930 -1.830 1
1 708 . 12 1 1 A 62 62 MET H H 100 8.170 8.076 0.094 1
1 709 . 12 1 1 A 62 62 MET HA H 100 3.810 4.219 -0.409 1
1 717 . 12 1 1 A 62 62 MET C C 100 175.130 177.748 -2.618 1
1 718 . 12 1 1 A 62 62 MET CA C 100 56.270 58.124 -1.854 1
1 719 . 12 1 1 A 62 62 MET CB C 100 31.260 32.079 -0.819 1
1 722 . 12 1 1 A 62 62 MET N N 100 118.350 118.367 -0.017 1
1 723 . 12 1 1 A 63 63 THR H H 101 7.720 7.638 0.082 1
1 724 . 12 1 1 A 63 63 THR HA H 101 4.120 4.195 -0.075 1
1 729 . 12 1 1 A 63 63 THR C C 101 172.265 174.714 -2.449 1
1 730 . 12 1 1 A 63 63 THR CA C 101 60.060 64.099 -4.039 1
1 731 . 12 1 1 A 63 63 THR CB C 101 66.880 69.109 -2.229 1
1 733 . 12 1 1 A 63 63 THR N N 101 110.720 109.941 0.779 1
1 734 . 12 1 1 A 64 64 ASN H H 102 7.620 7.748 -0.128 1
1 735 . 12 1 1 A 64 64 ASN HA H 102 4.541 5.228 -0.687 1
1 740 . 12 1 1 A 64 64 ASN C C 102 172.591 174.780 -2.189 1
1 741 . 12 1 1 A 64 64 ASN CA C 102 51.480 52.929 -1.449 1
1 742 . 12 1 1 A 64 64 ASN CB C 102 36.830 39.099 -2.269 1
1 743 . 12 1 1 A 64 64 ASN N N 102 114.000 118.290 -4.290 1
1 745 . 12 1 1 A 65 65 ALA H H 103 8.060 8.522 -0.462 1
1 746 . 12 1 1 A 65 65 ALA HA H 103 4.183 4.259 -0.076 1
1 750 . 12 1 1 A 65 65 ALA C C 103 176.032 177.620 -1.588 1
1 751 . 12 1 1 A 65 65 ALA CA C 103 51.130 53.222 -2.092 1
1 752 . 12 1 1 A 65 65 ALA CB C 103 16.230 19.408 -3.178 1
1 753 . 12 1 1 A 65 65 ALA N N 103 123.910 126.377 -2.467 1
1 754 . 12 1 1 A 66 66 GLY H H 104 8.220 7.796 0.424 1
1 755 . 12 1 1 A 66 66 GLY HA2 H 104 3.883 3.993 -0.110 1
1 756 . 12 1 1 A 66 66 GLY C C 104 172.222 174.358 -2.136 1
1 757 . 12 1 1 A 66 66 GLY CA C 104 43.170 45.330 -2.160 1
1 758 . 12 1 1 A 66 66 GLY N N 104 106.420 106.577 -0.157 1
1 759 . 12 1 1 A 67 67 LEU H H 105 7.890 7.746 0.144 1
1 760 . 12 1 1 A 67 67 LEU HA H 105 4.290 4.604 -0.314 1
1 770 . 12 1 1 A 67 67 LEU C C 105 175.406 176.651 -1.245 1
1 771 . 12 1 1 A 67 67 LEU CA C 105 53.110 55.342 -2.232 1
1 772 . 12 1 1 A 67 67 LEU CB C 105 39.740 42.526 -2.786 1
1 776 . 12 1 1 A 67 67 LEU N N 105 120.570 117.756 2.814 1
1 777 . 12 1 1 A 68 68 THR H H 106 7.940 8.128 -0.188 1
1 778 . 12 1 1 A 68 68 THR HA H 106 4.330 4.646 -0.316 1
1 783 . 12 1 1 A 68 68 THR C C 106 172.806 174.452 -1.646 1
1 784 . 12 1 1 A 68 68 THR CA C 106 59.700 61.086 -1.386 1
1 785 . 12 1 1 A 68 68 THR CB C 106 67.140 70.039 -2.899 1
1 787 . 12 1 1 A 68 68 THR N N 106 111.750 113.277 -1.527 1
1 788 . 12 1 1 A 69 69 GLY H H 107 8.340 8.045 0.295 1
1 789 . 12 1 1 A 69 69 GLY HA2 H 107 3.940 3.607 0.333 1
1 790 . 12 1 1 A 69 69 GLY C C 107 171.503 174.431 -2.928 1
1 791 . 12 1 1 A 69 69 GLY CA C 107 42.990 46.876 -3.886 1
1 792 . 12 1 1 A 69 69 GLY N N 107 110.910 110.522 0.388 1
1 793 . 12 1 1 A 70 70 ARG H H 108 7.930 8.130 -0.200 1
1 794 . 12 1 1 A 70 70 ARG HA H 108 4.355 4.619 -0.264 1
1 801 . 12 1 1 A 70 70 ARG C C 108 173.543 175.524 -1.981 1
1 802 . 12 1 1 A 70 70 ARG CA C 108 53.170 55.282 -2.112 1
1 803 . 12 1 1 A 70 70 ARG CB C 108 28.470 30.801 -2.331 1
1 806 . 12 1 1 A 70 70 ARG N N 108 119.900 119.667 0.233 1
1 807 . 12 1 1 A 71 71 SER H H 109 8.400 8.251 0.149 1
1 808 . 12 1 1 A 71 71 SER HA H 109 4.409 4.475 -0.066 1
1 811 . 12 1 1 A 71 71 SER C C 109 172.430 172.858 -0.428 1
1 812 . 12 1 1 A 71 71 SER CA C 109 55.630 59.204 -3.574 1
1 813 . 12 1 1 A 71 71 SER CB C 109 61.060 61.490 -0.430 1
1 814 . 12 1 1 A 71 71 SER N N 109 116.970 111.309 5.661 1
1 815 . 12 1 1 A 72 72 MET H H 110 8.590 7.798 0.792 1
1 816 . 12 1 1 A 72 72 MET HA H 110 4.394 4.804 -0.410 1
1 822 . 12 1 1 A 72 72 MET C C 110 173.487 176.369 -2.882 1
1 823 . 12 1 1 A 72 72 MET CA C 110 53.320 53.983 -0.663 1
1 824 . 12 1 1 A 72 72 MET CB C 110 29.300 34.615 -5.315 1
1 825 . 12 1 1 A 72 72 MET N N 110 122.250 119.569 2.681 1
1 826 . 12 1 1 A 73 73 ASP H H 111 8.260 8.855 -0.595 1
1 827 . 12 1 1 A 73 73 ASP HA H 111 4.514 4.206 0.308 1
1 830 . 12 1 1 A 73 73 ASP C C 111 173.886 176.271 -2.385 1
1 831 . 12 1 1 A 73 73 ASP CA C 111 52.150 55.624 -3.474 1
1 832 . 12 1 1 A 73 73 ASP CB C 111 38.310 40.180 -1.870 1
1 833 . 12 1 1 A 73 73 ASP N N 111 119.420 126.180 -6.760 1
1 834 . 12 1 1 A 74 74 THR H H 112 7.900 7.300 0.600 1
1 835 . 12 1 1 A 74 74 THR HA H 112 4.142 4.608 -0.466 1
1 840 . 12 1 1 A 74 74 THR C C 112 172.029 174.327 -2.298 1
1 841 . 12 1 1 A 74 74 THR CA C 112 59.640 60.681 -1.041 1
1 842 . 12 1 1 A 74 74 THR CB C 112 66.820 69.760 -2.940 1
1 844 . 12 1 1 A 74 74 THR N N 112 112.950 114.098 -1.148 1
1 845 . 12 1 1 A 75 75 VAL H H 113 7.840 8.145 -0.305 1
1 846 . 12 1 1 A 75 75 VAL HA H 113 3.950 4.333 -0.383 1
1 854 . 12 1 1 A 75 75 VAL C C 113 173.067 175.849 -2.782 1
1 855 . 12 1 1 A 75 75 VAL CA C 113 60.070 61.565 -1.495 1
1 856 . 12 1 1 A 75 75 VAL CB C 113 29.740 32.282 -2.542 1
1 859 . 12 1 1 A 75 75 VAL N N 113 121.540 125.772 -4.232 1
1 860 . 12 1 1 A 76 76 SER H H 114 8.020 8.144 -0.124 1
1 861 . 12 1 1 A 76 76 SER HA H 114 3.974 4.174 -0.200 1
1 864 . 12 1 1 A 76 76 SER C C 114 171.259 173.135 -1.876 1
1 865 . 12 1 1 A 76 76 SER CA C 114 55.100 59.249 -4.149 1
1 866 . 12 1 1 A 76 76 SER CB C 114 61.160 60.730 0.430 1
1 867 . 12 1 1 A 76 76 SER N N 114 117.830 115.913 1.917 1
1 868 . 12 1 1 A 77 77 TYR H H 115 7.770 8.194 -0.424 1
1 869 . 12 1 1 A 77 77 TYR HA H 115 4.240 4.528 -0.288 1
1 874 . 12 1 1 A 77 77 TYR C C 115 172.865 174.129 -1.264 1
1 875 . 12 1 1 A 77 77 TYR CA C 115 55.100 56.511 -1.411 1
1 876 . 12 1 1 A 77 77 TYR CB C 115 36.110 36.892 -0.782 1
1 877 . 12 1 1 A 77 77 TYR N N 115 121.280 120.367 0.913 1
1 878 . 12 1 1 A 78 78 ASN HA H 116 4.790 4.239 0.551 1
1 883 . 12 1 1 A 78 78 ASN C C 116 172.080 174.443 -2.363 1
1 884 . 12 1 1 A 78 78 ASN CA C 116 48.910 51.244 -2.334 1
1 885 . 12 1 1 A 78 78 ASN CB C 116 35.500 40.781 -5.281 1
1 886 . 12 1 1 A 78 78 ASN N N 116 112.900 123.035 -10.135 1
1 887 . 12 1 1 A 79 79 PHE H H 117 7.410 7.500 -0.090 1
1 888 . 12 1 1 A 79 79 PHE HA H 117 4.440 4.067 0.373 1
1 895 . 12 1 1 A 79 79 PHE C C 117 174.370 176.267 -1.897 1
1 896 . 12 1 1 A 79 79 PHE CA C 117 56.890 59.123 -2.233 1
1 897 . 12 1 1 A 79 79 PHE CB C 117 34.540 37.828 -3.288 1
1 898 . 12 1 1 A 79 79 PHE N N 117 121.190 121.515 -0.325 1
1 899 . 12 1 1 A 80 80 ALA H H 118 8.560 7.196 1.364 1
1 900 . 12 1 1 A 80 80 ALA HA H 118 4.140 2.744 1.396 1
1 904 . 12 1 1 A 80 80 ALA C C 118 176.482 177.253 -0.771 1
1 905 . 12 1 1 A 80 80 ALA CA C 118 52.430 52.733 -0.303 1
1 906 . 12 1 1 A 80 80 ALA CB C 118 16.160 18.143 -1.983 1
1 907 . 12 1 1 A 80 80 ALA N N 118 115.100 120.735 -5.635 1
1 908 . 12 1 1 A 81 81 THR H H 119 7.330 7.828 -0.498 1
1 909 . 12 1 1 A 81 81 THR HA H 119 4.450 4.577 -0.127 1
1 914 . 12 1 1 A 81 81 THR C C 119 172.909 173.449 -0.540 1
1 915 . 12 1 1 A 81 81 THR CA C 119 59.270 62.866 -3.596 1
1 916 . 12 1 1 A 81 81 THR CB C 119 66.770 71.874 -5.104 1
1 918 . 12 1 1 A 81 81 THR N N 119 104.710 112.278 -7.568 1
1 919 . 12 1 1 A 82 82 GLU H H 120 7.890 8.388 -0.498 1
1 920 . 12 1 1 A 82 82 GLU HA H 120 4.260 4.775 -0.515 1
1 924 . 12 1 1 A 82 82 GLU C C 120 177.060 175.087 1.973 1
1 925 . 12 1 1 A 82 82 GLU CA C 120 54.740 55.358 -0.618 1
1 926 . 12 1 1 A 82 82 GLU N N 120 120.760 119.453 1.307 1
1 927 . 12 1 1 A 83 83 ILE H H 121 7.630 8.502 -0.872 1
1 928 . 12 1 1 A 83 83 ILE HA H 121 3.330 4.507 -1.177 1
1 938 . 12 1 1 A 83 83 ILE CA C 121 57.580 57.356 0.224 1
1 939 . 12 1 1 A 83 83 ILE CB C 121 35.770 40.982 -5.212 1
1 943 . 12 1 1 A 83 83 ILE N N 121 118.900 119.559 -0.659 1
1 944 . 12 1 1 A 84 84 PRO HA H 122 4.200 4.403 -0.203 1
1 951 . 12 1 1 A 84 84 PRO CA C 122 60.510 62.505 -1.995 1
1 952 . 12 1 1 A 84 84 PRO CB C 122 27.260 31.918 -4.658 1
1 955 . 12 1 1 A 86 86 THR HA H 124 3.869 4.148 -0.279 1
1 960 . 12 1 1 A 86 86 THR C C 124 172.991 176.863 -3.872 1
1 961 . 12 1 1 A 86 86 THR CA C 124 61.980 65.842 -3.862 1
1 962 . 12 1 1 A 86 86 THR CB C 124 65.710 69.349 -3.639 1
1 964 . 12 1 1 A 87 87 ILE H H 125 7.340 8.015 -0.675 1
1 965 . 12 1 1 A 87 87 ILE HA H 125 3.920 3.998 -0.078 1
1 975 . 12 1 1 A 87 87 ILE C C 125 175.375 178.195 -2.820 1
1 976 . 12 1 1 A 87 87 ILE CA C 125 61.900 64.541 -2.641 1
1 977 . 12 1 1 A 87 87 ILE CB C 125 35.690 37.231 -1.541 1
1 981 . 12 1 1 A 87 87 ILE N N 125 120.800 116.856 3.944 1
1 982 . 12 1 1 A 88 88 LEU HA H 126 4.070 4.040 0.030 1
1 992 . 12 1 1 A 88 88 LEU C C 126 177.060 178.515 -1.455 1
1 993 . 12 1 1 A 88 88 LEU CA C 126 55.950 57.867 -1.917 1
1 994 . 12 1 1 A 88 88 LEU CB C 126 39.710 41.573 -1.863 1
1 998 . 12 1 1 A 89 89 LYS H H 127 8.095 8.046 0.049 1
1 999 . 12 1 1 A 89 89 LYS HA H 127 4.030 3.934 0.096 1
1 1008 . 12 1 1 A 89 89 LYS C C 127 176.400 178.165 -1.765 1
1 1009 . 12 1 1 A 89 89 LYS CA C 127 56.010 59.027 -3.017 1
1 1010 . 12 1 1 A 89 89 LYS CB C 127 29.650 31.838 -2.188 1
1 1014 . 12 1 1 A 89 89 LYS N N 127 116.100 119.358 -3.258 1
1 1015 . 12 1 1 A 90 90 LYS H H 128 7.848 8.241 -0.393 1
1 1016 . 12 1 1 A 90 90 LYS HA H 128 4.160 4.136 0.024 1
1 1019 . 12 1 1 A 90 90 LYS C C 128 174.859 178.734 -3.875 1
1 1020 . 12 1 1 A 90 90 LYS CA C 128 54.750 58.834 -4.084 1
1 1021 . 12 1 1 A 90 90 LYS CB C 128 29.280 32.108 -2.828 1
1 1022 . 12 1 1 A 90 90 LYS N N 128 119.230 119.262 -0.032 1
1 1023 . 12 1 1 A 91 91 LEU H H 129 7.640 7.307 0.333 1
1 1024 . 12 1 1 A 91 91 LEU HA H 129 4.250 2.935 1.315 1
1 1034 . 12 1 1 A 91 91 LEU CA C 129 52.280 56.867 -4.587 1
1 1035 . 12 1 1 A 91 91 LEU CB C 129 39.000 40.904 -1.904 1
1 1039 . 12 1 1 A 91 91 LEU N N 129 112.650 120.403 -7.753 1
1 1040 . 12 1 1 A 92 92 ASN H H 130 7.560 7.906 -0.346 1
1 1041 . 12 1 1 A 92 92 ASN HA H 130 4.300 4.512 -0.212 1
1 1046 . 12 1 1 A 92 92 ASN C C 130 172.034 175.823 -3.789 1
1 1047 . 12 1 1 A 92 92 ASN CA C 130 55.070 56.981 -1.911 1
1 1048 . 12 1 1 A 92 92 ASN CB C 130 32.670 38.258 -5.588 1
1 1049 . 12 1 1 A 92 92 ASN N N 130 111.100 116.362 -5.262 1
1 1051 . 12 1 1 A 93 93 PRO HA H 131 4.220 4.374 -0.154 1
1 1058 . 12 1 1 A 93 93 PRO C C 131 173.540 178.493 -4.953 1
1 1059 . 12 1 1 A 93 93 PRO CA C 131 62.300 65.064 -2.764 1
1 1060 . 12 1 1 A 93 93 PRO CB C 131 28.140 31.528 -3.388 1
1 1062 . 12 1 1 A 94 94 TYR H H 132 7.630 7.711 -0.081 1
1 1063 . 12 1 1 A 94 94 TYR HA H 132 4.630 4.138 0.492 1
1 1068 . 12 1 1 A 94 94 TYR C C 132 172.700 175.784 -3.084 1
1 1069 . 12 1 1 A 94 94 TYR CA C 132 54.130 61.232 -7.102 1
1 1070 . 12 1 1 A 94 94 TYR CB C 132 36.500 38.642 -2.142 1
1 1071 . 12 1 1 A 94 94 TYR N N 132 114.100 118.366 -4.266 1
1 1072 . 12 1 1 A 95 95 ARG H H 133 7.250 7.627 -0.377 1
1 1073 . 12 1 1 A 95 95 ARG HA H 133 4.290 3.393 0.897 1
1 1081 . 12 1 1 A 95 95 ARG C C 133 173.763 175.355 -1.592 1
1 1082 . 12 1 1 A 95 95 ARG CA C 133 54.740 56.694 -1.954 1
1 1083 . 12 1 1 A 95 95 ARG CB C 133 27.880 28.448 -0.568 1
1 1086 . 12 1 1 A 95 95 ARG N N 133 119.390 118.622 0.768 1
1 1088 . 12 1 1 A 96 96 LYS H H 134 8.658 7.154 1.504 1
1 1089 . 12 1 1 A 96 96 LYS HA H 134 4.490 3.968 0.522 1
1 1098 . 12 1 1 A 96 96 LYS C C 134 173.560 176.307 -2.747 1
1 1099 . 12 1 1 A 96 96 LYS CA C 134 52.580 56.641 -4.061 1
1 1100 . 12 1 1 A 96 96 LYS CB C 134 30.590 29.166 1.424 1
1 1104 . 12 1 1 A 96 96 LYS N N 134 125.000 109.610 15.390 1
1 1105 . 12 1 1 A 97 97 MET H H 135 8.330 7.494 0.836 1
1 1106 . 12 1 1 A 97 97 MET HA H 135 4.420 4.219 0.201 1
1 1114 . 12 1 1 A 97 97 MET C C 135 172.970 175.866 -2.896 1
1 1115 . 12 1 1 A 97 97 MET CA C 135 52.490 57.467 -4.977 1
1 1116 . 12 1 1 A 97 97 MET CB C 135 30.530 33.405 -2.875 1
1 1118 . 12 1 1 A 97 97 MET N N 135 120.890 118.336 2.554 1
1 1119 . 12 1 1 A 98 98 ALA H H 136 8.290 7.527 0.763 1
1 1120 . 12 1 1 A 98 98 ALA HA H 136 4.180 4.633 -0.453 1
1 1124 . 12 1 1 A 98 98 ALA C C 136 173.767 175.310 -1.543 1
1 1125 . 12 1 1 A 98 98 ALA CA C 136 49.750 51.699 -1.949 1
1 1126 . 12 1 1 A 98 98 ALA CB C 136 16.350 22.460 -6.110 1
1 1127 . 12 1 1 A 98 98 ALA N N 136 126.050 117.930 8.120 1
1 1 . 13 1 1 A 3 3 VAL HA H 41 3.360 3.554 -0.194 1
1 9 . 13 1 1 A 3 3 VAL CA C 41 64.070 66.665 -2.595 1
1 10 . 13 1 1 A 3 3 VAL CB C 41 28.620 31.838 -3.218 1
1 13 . 13 1 1 A 4 4 LYS H H 42 8.223 8.036 0.187 1
1 14 . 13 1 1 A 4 4 LYS HA H 42 3.610 4.012 -0.402 1
1 21 . 13 1 1 A 4 4 LYS C C 42 175.928 179.356 -3.428 1
1 22 . 13 1 1 A 4 4 LYS CA C 42 58.640 59.705 -1.065 1
1 23 . 13 1 1 A 4 4 LYS CB C 42 28.640 32.128 -3.488 1
1 25 . 13 1 1 A 4 4 LYS N N 42 118.080 118.529 -0.449 1
1 26 . 13 1 1 A 5 5 ARG H H 43 7.920 7.927 -0.007 1
1 27 . 13 1 1 A 5 5 ARG HA H 43 4.060 4.042 0.018 1
1 34 . 13 1 1 A 5 5 ARG C C 43 177.798 178.490 -0.692 1
1 35 . 13 1 1 A 5 5 ARG CA C 43 56.640 58.708 -2.068 1
1 36 . 13 1 1 A 5 5 ARG CB C 43 27.200 29.956 -2.756 1
1 38 . 13 1 1 A 5 5 ARG N N 43 117.720 120.377 -2.657 1
1 39 . 13 1 1 A 6 6 LEU H H 44 7.660 7.861 -0.201 1
1 40 . 13 1 1 A 6 6 LEU HA H 44 4.100 4.130 -0.030 1
1 50 . 13 1 1 A 6 6 LEU C C 44 176.114 178.911 -2.797 1
1 51 . 13 1 1 A 6 6 LEU CA C 44 55.100 57.480 -2.380 1
1 52 . 13 1 1 A 6 6 LEU CB C 44 39.570 42.247 -2.677 1
1 56 . 13 1 1 A 6 6 LEU N N 44 121.040 120.050 0.990 1
1 57 . 13 1 1 A 7 7 LEU H H 45 7.520 7.945 -0.425 1
1 58 . 13 1 1 A 7 7 LEU HA H 45 4.350 4.259 0.091 1
1 68 . 13 1 1 A 7 7 LEU C C 45 172.937 178.233 -5.296 1
1 69 . 13 1 1 A 7 7 LEU CA C 45 51.480 55.843 -4.363 1
1 70 . 13 1 1 A 7 7 LEU CB C 45 40.300 41.190 -0.890 1
1 74 . 13 1 1 A 7 7 LEU N N 45 116.660 115.866 0.794 1
1 75 . 13 1 1 A 8 8 SER H H 46 7.840 7.656 0.184 1
1 76 . 13 1 1 A 8 8 SER HA H 46 3.960 4.413 -0.453 1
1 79 . 13 1 1 A 8 8 SER CA C 46 56.360 59.981 -3.621 1
1 80 . 13 1 1 A 8 8 SER CB C 46 58.870 63.659 -4.789 1
1 81 . 13 1 1 A 8 8 SER N N 46 113.750 114.588 -0.838 1
1 82 . 13 1 1 A 9 9 ILE H H 47 8.290 6.984 1.306 1
1 83 . 13 1 1 A 9 9 ILE HA H 47 4.230 4.314 -0.084 1
1 93 . 13 1 1 A 9 9 ILE C C 47 174.540 175.836 -1.296 1
1 94 . 13 1 1 A 9 9 ILE CA C 47 58.680 60.768 -2.088 1
1 95 . 13 1 1 A 9 9 ILE CB C 47 36.912 36.523 0.389 1
1 99 . 13 1 1 A 9 9 ILE N N 47 119.850 119.190 0.660 1
1 100 . 13 1 1 A 10 10 THR H H 48 8.760 8.226 0.534 1
1 101 . 13 1 1 A 10 10 THR HA H 48 4.465 3.920 0.545 1
1 106 . 13 1 1 A 10 10 THR C C 48 171.266 173.029 -1.763 1
1 107 . 13 1 1 A 10 10 THR CA C 48 58.390 65.635 -7.245 1
1 108 . 13 1 1 A 10 10 THR CB C 48 66.310 66.556 -0.246 1
1 110 . 13 1 1 A 10 10 THR N N 48 117.590 110.968 6.622 1
1 111 . 13 1 1 A 11 11 ASN H H 49 7.360 8.074 -0.714 1
1 112 . 13 1 1 A 11 11 ASN HA H 49 4.909 5.204 -0.295 1
1 117 . 13 1 1 A 11 11 ASN C C 49 172.506 174.241 -1.735 1
1 118 . 13 1 1 A 11 11 ASN CA C 49 49.430 52.726 -3.296 1
1 119 . 13 1 1 A 11 11 ASN CB C 49 37.420 39.397 -1.977 1
1 120 . 13 1 1 A 11 11 ASN N N 49 113.560 117.358 -3.798 1
1 122 . 13 1 1 A 12 12 ASP H H 50 8.256 7.884 0.372 1
1 123 . 13 1 1 A 12 12 ASP HA H 50 4.650 4.336 0.314 1
1 126 . 13 1 1 A 12 12 ASP C C 50 176.400 176.165 0.235 1
1 127 . 13 1 1 A 12 12 ASP CA C 50 51.210 54.937 -3.727 1
1 128 . 13 1 1 A 12 12 ASP CB C 50 38.080 38.636 -0.556 1
1 129 . 13 1 1 A 12 12 ASP N N 50 117.210 123.601 -6.391 1
1 130 . 13 1 1 A 13 13 LYS H H 51 7.895 7.365 0.530 1
1 131 . 13 1 1 A 13 13 LYS HA H 51 3.840 4.101 -0.261 1
1 140 . 13 1 1 A 13 13 LYS C C 51 174.700 178.210 -3.510 1
1 141 . 13 1 1 A 13 13 LYS CA C 51 56.320 58.618 -2.298 1
1 142 . 13 1 1 A 13 13 LYS CB C 51 29.760 33.014 -3.254 1
1 146 . 13 1 1 A 13 13 LYS N N 51 120.500 120.690 -0.190 1
1 147 . 13 1 1 A 14 14 HIS H H 52 9.000 7.839 1.161 1
1 148 . 13 1 1 A 14 14 HIS HA H 52 5.120 4.923 0.197 1
1 152 . 13 1 1 A 14 14 HIS C C 52 173.200 175.759 -2.559 1
1 153 . 13 1 1 A 14 14 HIS CA C 52 52.370 55.471 -3.101 1
1 154 . 13 1 1 A 14 14 HIS CB C 52 27.520 27.878 -0.358 1
1 155 . 13 1 1 A 14 14 HIS N N 52 116.200 116.810 -0.610 1
1 156 . 13 1 1 A 15 15 ASP H H 53 7.640 8.252 -0.612 1
1 157 . 13 1 1 A 15 15 ASP HA H 53 4.120 4.278 -0.158 1
1 160 . 13 1 1 A 15 15 ASP C C 53 176.183 178.607 -2.424 1
1 161 . 13 1 1 A 15 15 ASP CA C 53 56.060 57.298 -1.238 1
1 162 . 13 1 1 A 15 15 ASP CB C 53 36.350 40.258 -3.908 1
1 163 . 13 1 1 A 15 15 ASP N N 53 122.780 120.924 1.856 1
1 164 . 13 1 1 A 16 16 GLU H H 54 8.890 8.705 0.185 1
1 165 . 13 1 1 A 16 16 GLU HA H 54 4.020 4.105 -0.085 1
1 170 . 13 1 1 A 16 16 GLU CA C 54 57.770 59.363 -1.593 1
1 171 . 13 1 1 A 16 16 GLU CB C 54 26.330 29.118 -2.788 1
1 173 . 13 1 1 A 16 16 GLU N N 54 122.770 118.422 4.348 1
1 174 . 13 1 1 A 17 17 TYR H H 55 8.130 8.326 -0.196 1
1 175 . 13 1 1 A 17 17 TYR HA H 55 4.390 4.149 0.241 1
1 180 . 13 1 1 A 17 17 TYR C C 55 175.213 177.208 -1.995 1
1 181 . 13 1 1 A 17 17 TYR CA C 55 58.150 61.207 -3.057 1
1 182 . 13 1 1 A 17 17 TYR CB C 55 36.000 38.428 -2.428 1
1 185 . 13 1 1 A 17 17 TYR N N 55 121.000 121.459 -0.459 1
1 186 . 13 1 1 A 18 18 LEU H H 56 8.740 8.319 0.421 1
1 187 . 13 1 1 A 18 18 LEU HA H 56 3.710 3.949 -0.239 1
1 197 . 13 1 1 A 18 18 LEU C C 56 175.500 178.359 -2.859 1
1 198 . 13 1 1 A 18 18 LEU CA C 56 55.470 58.072 -2.602 1
1 199 . 13 1 1 A 18 18 LEU CB C 56 39.920 41.737 -1.817 1
1 203 . 13 1 1 A 18 18 LEU N N 56 118.100 121.186 -3.086 1
1 204 . 13 1 1 A 19 19 THR H H 57 8.420 8.373 0.047 1
1 205 . 13 1 1 A 19 19 THR HA H 57 3.820 3.881 -0.061 1
1 210 . 13 1 1 A 19 19 THR C C 57 172.234 176.751 -4.517 1
1 211 . 13 1 1 A 19 19 THR CA C 57 64.220 65.665 -1.445 1
1 212 . 13 1 1 A 19 19 THR CB C 57 66.050 68.280 -2.230 1
1 214 . 13 1 1 A 19 19 THR N N 57 114.940 113.073 1.867 1
1 215 . 13 1 1 A 20 20 GLU H H 58 7.087 8.303 -1.216 1
1 216 . 13 1 1 A 20 20 GLU HA H 58 4.320 3.906 0.414 1
1 221 . 13 1 1 A 20 20 GLU C C 58 175.554 179.119 -3.565 1
1 222 . 13 1 1 A 20 20 GLU CA C 58 55.170 59.963 -4.793 1
1 223 . 13 1 1 A 20 20 GLU CB C 58 27.920 29.015 -1.095 1
1 225 . 13 1 1 A 20 20 GLU N N 58 117.800 122.214 -4.414 1
1 226 . 13 1 1 A 21 21 MET H H 59 8.320 7.806 0.514 1
1 227 . 13 1 1 A 21 21 MET HA H 59 4.330 2.703 1.627 1
1 235 . 13 1 1 A 21 21 MET C C 59 175.330 178.442 -3.112 1
1 236 . 13 1 1 A 21 21 MET CA C 59 54.270 57.724 -3.454 1
1 237 . 13 1 1 A 21 21 MET CB C 59 30.620 31.677 -1.057 1
1 240 . 13 1 1 A 21 21 MET N N 59 116.300 119.280 -2.980 1
1 241 . 13 1 1 A 22 22 VAL H H 60 8.800 7.593 1.207 1
1 242 . 13 1 1 A 22 22 VAL HA H 60 3.630 3.484 0.146 1
1 250 . 13 1 1 A 22 22 VAL C C 60 172.042 174.589 -2.547 1
1 251 . 13 1 1 A 22 22 VAL CA C 60 66.980 67.299 -0.319 1
1 252 . 13 1 1 A 22 22 VAL CB C 60 26.120 29.514 -3.394 1
1 255 . 13 1 1 A 22 22 VAL N N 60 117.600 119.131 -1.531 1
1 256 . 13 1 1 A 23 23 PRO HA H 61 4.270 4.338 -0.068 1
1 263 . 13 1 1 A 23 23 PRO C C 61 177.110 179.092 -1.982 1
1 264 . 13 1 1 A 23 23 PRO CA C 61 63.460 65.502 -2.042 1
1 265 . 13 1 1 A 23 23 PRO CB C 61 28.400 31.212 -2.812 1
1 267 . 13 1 1 A 24 24 LEU H H 62 6.700 7.246 -0.546 1
1 268 . 13 1 1 A 24 24 LEU HA H 62 4.250 4.075 0.175 1
1 278 . 13 1 1 A 24 24 LEU C C 62 177.872 179.478 -1.606 1
1 279 . 13 1 1 A 24 24 LEU CA C 62 55.130 57.816 -2.686 1
1 280 . 13 1 1 A 24 24 LEU CB C 62 39.440 41.931 -2.491 1
1 284 . 13 1 1 A 24 24 LEU N N 62 115.750 117.986 -2.236 1
1 285 . 13 1 1 A 25 25 LEU H H 63 8.190 7.767 0.423 1
1 286 . 13 1 1 A 25 25 LEU HA H 63 3.920 4.302 -0.382 1
1 296 . 13 1 1 A 25 25 LEU C C 63 176.367 178.700 -2.333 1
1 297 . 13 1 1 A 25 25 LEU CA C 63 54.950 58.001 -3.051 1
1 298 . 13 1 1 A 25 25 LEU CB C 63 41.090 41.844 -0.754 1
1 302 . 13 1 1 A 25 25 LEU N N 63 121.800 120.032 1.768 1
1 303 . 13 1 1 A 26 26 VAL H H 64 8.590 8.794 -0.204 1
1 304 . 13 1 1 A 26 26 VAL HA H 64 3.480 3.730 -0.250 1
1 312 . 13 1 1 A 26 26 VAL C C 64 174.801 178.010 -3.209 1
1 313 . 13 1 1 A 26 26 VAL CA C 64 64.860 67.141 -2.281 1
1 314 . 13 1 1 A 26 26 VAL CB C 64 28.900 31.418 -2.518 1
1 317 . 13 1 1 A 26 26 VAL N N 64 120.990 119.314 1.676 1
1 318 . 13 1 1 A 27 27 GLU H H 65 8.090 7.940 0.150 1
1 319 . 13 1 1 A 27 27 GLU HA H 65 3.970 3.513 0.457 1
1 324 . 13 1 1 A 27 27 GLU C C 65 176.169 178.799 -2.630 1
1 325 . 13 1 1 A 27 27 GLU CA C 65 56.990 58.826 -1.836 1
1 326 . 13 1 1 A 27 27 GLU CB C 65 26.540 29.370 -2.830 1
1 328 . 13 1 1 A 27 27 GLU N N 65 118.990 119.269 -0.279 1
1 329 . 13 1 1 A 28 28 PHE H H 66 8.075 7.969 0.106 1
1 330 . 13 1 1 A 28 28 PHE HA H 66 4.570 4.361 0.209 1
1 337 . 13 1 1 A 28 28 PHE C C 66 173.482 177.669 -4.187 1
1 338 . 13 1 1 A 28 28 PHE CA C 66 58.390 61.780 -3.390 1
1 339 . 13 1 1 A 28 28 PHE CB C 66 36.680 39.428 -2.748 1
1 340 . 13 1 1 A 28 28 PHE N N 66 119.000 121.625 -2.625 1
1 341 . 13 1 1 A 29 29 ALA H H 67 8.420 8.823 -0.403 1
1 342 . 13 1 1 A 29 29 ALA HA H 67 3.500 3.817 -0.317 1
1 346 . 13 1 1 A 29 29 ALA C C 67 176.624 179.798 -3.174 1
1 347 . 13 1 1 A 29 29 ALA CA C 67 52.800 54.821 -2.021 1
1 348 . 13 1 1 A 29 29 ALA CB C 67 15.290 18.347 -3.057 1
1 349 . 13 1 1 A 29 29 ALA N N 67 121.810 121.056 0.754 1
1 350 . 13 1 1 A 30 30 LYS H H 68 8.227 8.412 -0.185 1
1 351 . 13 1 1 A 30 30 LYS HA H 68 4.090 4.379 -0.289 1
1 360 . 13 1 1 A 30 30 LYS C C 68 177.400 179.566 -2.166 1
1 361 . 13 1 1 A 30 30 LYS CA C 68 56.700 58.975 -2.275 1
1 362 . 13 1 1 A 30 30 LYS CB C 68 31.230 32.103 -0.873 1
1 366 . 13 1 1 A 30 30 LYS N N 68 117.500 118.099 -0.599 1
1 367 . 13 1 1 A 31 31 ASP H H 69 7.820 8.155 -0.335 1
1 368 . 13 1 1 A 31 31 ASP HA H 69 4.210 4.619 -0.409 1
1 371 . 13 1 1 A 31 31 ASP C C 69 176.438 178.563 -2.125 1
1 372 . 13 1 1 A 31 31 ASP CA C 69 54.310 56.805 -2.495 1
1 373 . 13 1 1 A 31 31 ASP CB C 69 38.320 41.465 -3.145 1
1 374 . 13 1 1 A 31 31 ASP N N 69 120.370 119.683 0.687 1
1 375 . 13 1 1 A 32 32 GLU H H 70 8.840 8.212 0.628 1
1 376 . 13 1 1 A 32 32 GLU HA H 70 3.730 4.110 -0.380 1
1 381 . 13 1 1 A 32 32 GLU C C 70 176.119 177.737 -1.618 1
1 382 . 13 1 1 A 32 32 GLU CA C 70 55.270 58.714 -3.444 1
1 383 . 13 1 1 A 32 32 GLU CB C 70 26.810 29.570 -2.760 1
1 385 . 13 1 1 A 32 32 GLU N N 70 120.750 119.143 1.607 1
1 386 . 13 1 1 A 33 33 CYS H H 71 7.960 7.677 0.283 1
1 387 . 13 1 1 A 33 33 CYS HA H 71 4.070 4.532 -0.462 1
1 390 . 13 1 1 A 33 33 CYS C C 71 170.993 174.466 -3.473 1
1 391 . 13 1 1 A 33 33 CYS CA C 71 58.160 58.730 -0.570 1
1 392 . 13 1 1 A 33 33 CYS CB C 71 26.000 27.595 -1.595 1
1 393 . 13 1 1 A 33 33 CYS N N 71 111.530 117.985 -6.455 1
1 394 . 13 1 1 A 34 34 HIS H H 72 7.560 8.137 -0.577 1
1 395 . 13 1 1 A 34 34 HIS HA H 72 4.040 4.404 -0.364 1
1 398 . 13 1 1 A 34 34 HIS C C 72 170.400 174.220 -3.820 1
1 399 . 13 1 1 A 34 34 HIS CA C 72 53.230 57.227 -3.997 1
1 400 . 13 1 1 A 34 34 HIS CB C 72 23.830 29.337 -5.507 1
1 401 . 13 1 1 A 34 34 HIS N N 72 118.100 118.984 -0.884 1
1 402 . 13 1 1 A 35 35 ASN H H 73 7.590 7.830 -0.240 1
1 403 . 13 1 1 A 35 35 ASN HA H 73 4.805 4.919 -0.114 1
1 408 . 13 1 1 A 35 35 ASN C C 73 170.429 175.303 -4.874 1
1 409 . 13 1 1 A 35 35 ASN CA C 73 46.130 50.551 -4.421 1
1 410 . 13 1 1 A 35 35 ASN CB C 73 39.580 39.879 -0.299 1
1 411 . 13 1 1 A 35 35 ASN N N 73 112.400 116.305 -3.905 1
1 413 . 13 1 1 A 36 36 PRO HA H 74 4.120 4.018 0.102 1
1 420 . 13 1 1 A 36 36 PRO C C 74 173.450 177.045 -3.595 1
1 421 . 13 1 1 A 36 36 PRO CA C 74 59.950 63.236 -3.286 1
1 422 . 13 1 1 A 36 36 PRO CB C 74 29.200 32.614 -3.414 1
1 425 . 13 1 1 A 37 37 PHE H H 75 8.057 7.849 0.208 1
1 426 . 13 1 1 A 37 37 PHE HA H 75 4.200 4.173 0.027 1
1 432 . 13 1 1 A 37 37 PHE C C 75 171.107 174.907 -3.800 1
1 433 . 13 1 1 A 37 37 PHE CA C 75 55.120 58.719 -3.599 1
1 434 . 13 1 1 A 37 37 PHE CB C 75 33.760 36.630 -2.870 1
1 436 . 13 1 1 A 38 38 ILE H H 76 7.610 7.927 -0.317 1
1 437 . 13 1 1 A 38 38 ILE HA H 76 4.870 4.430 0.440 1
1 447 . 13 1 1 A 38 38 ILE C C 76 174.180 174.858 -0.678 1
1 448 . 13 1 1 A 38 38 ILE CA C 76 56.300 61.017 -4.717 1
1 449 . 13 1 1 A 38 38 ILE CB C 76 38.040 38.160 -0.120 1
1 453 . 13 1 1 A 38 38 ILE N N 76 113.800 120.010 -6.210 1
1 454 . 13 1 1 A 39 39 ASP H H 77 8.830 8.623 0.207 1
1 455 . 13 1 1 A 39 39 ASP HA H 77 4.710 5.024 -0.314 1
1 458 . 13 1 1 A 39 39 ASP C C 77 175.969 176.444 -0.475 1
1 459 . 13 1 1 A 39 39 ASP CA C 77 49.800 51.837 -2.037 1
1 460 . 13 1 1 A 39 39 ASP CB C 77 39.180 43.965 -4.785 1
1 461 . 13 1 1 A 39 39 ASP N N 77 125.380 126.544 -1.164 1
1 462 . 13 1 1 A 40 40 LYS H H 78 8.370 8.739 -0.369 1
1 463 . 13 1 1 A 40 40 LYS HA H 78 4.100 3.980 0.120 1
1 468 . 13 1 1 A 40 40 LYS C C 78 174.100 177.150 -3.050 1
1 469 . 13 1 1 A 40 40 LYS CA C 78 55.800 59.150 -3.350 1
1 470 . 13 1 1 A 40 40 LYS CB C 78 29.120 32.321 -3.201 1
1 471 . 13 1 1 A 40 40 LYS N N 78 116.800 124.248 -7.448 1
1 472 . 13 1 1 A 41 41 ASP H H 79 8.030 7.661 0.369 1
1 473 . 13 1 1 A 41 41 ASP HA H 79 4.810 4.717 0.093 1
1 476 . 13 1 1 A 41 41 ASP C C 79 173.360 176.873 -3.513 1
1 477 . 13 1 1 A 41 41 ASP CA C 79 51.650 53.873 -2.223 1
1 478 . 13 1 1 A 41 41 ASP CB C 79 39.570 41.700 -2.130 1
1 479 . 13 1 1 A 41 41 ASP N N 79 118.660 116.883 1.777 1
1 480 . 13 1 1 A 42 42 GLY H H 80 8.090 8.190 -0.100 1
1 481 . 13 1 1 A 42 42 GLY HA2 H 80 4.230 3.937 0.293 1
1 482 . 13 1 1 A 42 42 GLY HA3 H 80 3.490 3.937 -0.447 1
1 483 . 13 1 1 A 42 42 GLY C C 80 171.399 174.594 -3.195 1
1 484 . 13 1 1 A 42 42 GLY CA C 80 42.720 45.888 -3.168 1
1 485 . 13 1 1 A 42 42 GLY N N 80 107.750 108.909 -1.159 1
1 486 . 13 1 1 A 43 43 ASN H H 81 8.470 8.058 0.412 1
1 487 . 13 1 1 A 43 43 ASN HA H 81 4.815 4.979 -0.164 1
1 492 . 13 1 1 A 43 43 ASN C C 81 172.066 175.333 -3.267 1
1 493 . 13 1 1 A 43 43 ASN CA C 81 49.580 52.606 -3.026 1
1 494 . 13 1 1 A 43 43 ASN CB C 81 36.800 40.061 -3.261 1
1 495 . 13 1 1 A 43 43 ASN N N 81 117.600 118.452 -0.852 1
1 497 . 13 1 1 A 44 44 GLU H H 82 8.730 8.501 0.229 1
1 498 . 13 1 1 A 44 44 GLU HA H 82 4.370 4.642 -0.272 1
1 503 . 13 1 1 A 44 44 GLU C C 82 173.651 175.779 -2.128 1
1 504 . 13 1 1 A 44 44 GLU CA C 82 55.170 56.440 -1.270 1
1 505 . 13 1 1 A 44 44 GLU CB C 82 27.740 30.462 -2.722 1
1 507 . 13 1 1 A 44 44 GLU N N 82 123.400 120.585 2.815 1
1 508 . 13 1 1 A 45 45 SER H H 83 8.960 8.644 0.316 1
1 509 . 13 1 1 A 45 45 SER HA H 83 4.510 4.973 -0.463 1
1 512 . 13 1 1 A 45 45 SER C C 83 170.100 172.487 -2.387 1
1 513 . 13 1 1 A 45 45 SER CA C 83 53.800 56.952 -3.152 1
1 514 . 13 1 1 A 45 45 SER CB C 83 60.320 65.173 -4.853 1
1 515 . 13 1 1 A 45 45 SER N N 83 123.400 115.552 7.848 1
1 516 . 13 1 1 A 46 46 ILE H H 84 8.990 8.841 0.149 1
1 517 . 13 1 1 A 46 46 ILE HA H 84 3.880 4.685 -0.805 1
1 527 . 13 1 1 A 46 46 ILE C C 84 177.600 173.955 3.645 1
1 528 . 13 1 1 A 46 46 ILE CA C 84 55.490 58.074 -2.584 1
1 529 . 13 1 1 A 46 46 ILE CB C 84 34.850 40.259 -5.409 1
1 533 . 13 1 1 A 46 46 ILE N N 84 127.800 123.773 4.027 1
1 534 . 13 1 1 A 47 47 PRO HA H 85 3.840 4.640 -0.800 1
1 541 . 13 1 1 A 47 47 PRO C C 85 172.918 177.735 -4.817 1
1 542 . 13 1 1 A 47 47 PRO CA C 85 61.880 62.338 -0.458 1
1 543 . 13 1 1 A 47 47 PRO CB C 85 34.920 33.349 1.571 1
1 546 . 13 1 1 A 48 48 SER H H 86 7.780 8.766 -0.986 1
1 547 . 13 1 1 A 48 48 SER C C 86 174.554 177.292 -2.738 1
1 548 . 13 1 1 A 49 49 GLY H H 87 8.230 8.387 -0.157 1
1 549 . 13 1 1 A 49 49 GLY HA2 H 87 4.300 3.825 0.475 1
1 550 . 13 1 1 A 49 49 GLY HA3 H 87 3.950 3.831 0.119 1
1 551 . 13 1 1 A 49 49 GLY C C 87 173.507 176.286 -2.779 1
1 552 . 13 1 1 A 49 49 GLY CA C 87 44.600 47.152 -2.552 1
1 553 . 13 1 1 A 49 49 GLY N N 87 105.900 110.470 -4.570 1
1 554 . 13 1 1 A 50 50 VAL H H 88 6.855 8.086 -1.231 1
1 555 . 13 1 1 A 50 50 VAL HA H 88 3.510 4.036 -0.526 1
1 563 . 13 1 1 A 50 50 VAL C C 88 174.450 177.958 -3.508 1
1 564 . 13 1 1 A 50 50 VAL CA C 88 62.420 64.944 -2.524 1
1 565 . 13 1 1 A 50 50 VAL CB C 88 28.000 31.609 -3.609 1
1 568 . 13 1 1 A 50 50 VAL N N 88 119.950 122.172 -2.222 1
1 569 . 13 1 1 A 51 51 LEU H H 89 7.360 7.993 -0.633 1
1 570 . 13 1 1 A 51 51 LEU HA H 89 3.570 4.088 -0.518 1
1 580 . 13 1 1 A 51 51 LEU C C 89 175.078 178.536 -3.458 1
1 581 . 13 1 1 A 51 51 LEU CA C 89 55.490 57.926 -2.436 1
1 582 . 13 1 1 A 51 51 LEU CB C 89 37.320 41.734 -4.414 1
1 586 . 13 1 1 A 51 51 LEU N N 89 122.100 121.733 0.367 1
1 587 . 13 1 1 A 52 52 ILE H H 90 7.770 7.609 0.161 1
1 588 . 13 1 1 A 52 52 ILE HA H 90 3.600 3.882 -0.282 1
1 598 . 13 1 1 A 52 52 ILE C C 90 175.000 177.925 -2.925 1
1 599 . 13 1 1 A 52 52 ILE CA C 90 62.720 64.488 -1.768 1
1 600 . 13 1 1 A 52 52 ILE CB C 90 34.510 37.499 -2.989 1
1 604 . 13 1 1 A 52 52 ILE N N 90 117.460 116.066 1.394 1
1 605 . 13 1 1 A 53 53 PHE H H 91 7.400 8.212 -0.812 1
1 606 . 13 1 1 A 53 53 PHE HA H 91 3.900 4.162 -0.262 1
1 613 . 13 1 1 A 53 53 PHE C C 91 172.073 177.321 -5.248 1
1 614 . 13 1 1 A 53 53 PHE CA C 91 59.340 61.561 -2.221 1
1 615 . 13 1 1 A 53 53 PHE CB C 91 35.540 39.189 -3.649 1
1 616 . 13 1 1 A 53 53 PHE N N 91 119.280 124.744 -5.464 1
1 617 . 13 1 1 A 54 54 VAL H H 92 8.450 7.921 0.529 1
1 618 . 13 1 1 A 54 54 VAL HA H 92 2.850 3.514 -0.664 1
1 626 . 13 1 1 A 54 54 VAL C C 92 174.300 177.901 -3.601 1
1 627 . 13 1 1 A 54 54 VAL CA C 92 63.860 65.275 -1.415 1
1 628 . 13 1 1 A 54 54 VAL CB C 92 28.570 30.922 -2.352 1
1 631 . 13 1 1 A 54 54 VAL N N 92 119.170 118.630 0.540 1
1 632 . 13 1 1 A 55 55 ALA H H 93 8.615 7.959 0.656 1
1 633 . 13 1 1 A 55 55 ALA HA H 93 3.750 3.917 -0.167 1
1 637 . 13 1 1 A 55 55 ALA C C 93 176.294 179.777 -3.483 1
1 638 . 13 1 1 A 55 55 ALA CA C 93 52.800 55.659 -2.859 1
1 639 . 13 1 1 A 55 55 ALA CB C 93 16.050 18.198 -2.148 1
1 640 . 13 1 1 A 55 55 ALA N N 93 120.170 123.537 -3.367 1
1 641 . 13 1 1 A 56 56 LYS H H 94 8.548 8.277 0.271 1
1 642 . 13 1 1 A 56 56 LYS HA H 94 3.980 4.070 -0.090 1
1 649 . 13 1 1 A 56 56 LYS C C 94 177.600 179.347 -1.747 1
1 650 . 13 1 1 A 56 56 LYS CA C 94 55.800 59.110 -3.310 1
1 651 . 13 1 1 A 56 56 LYS CB C 94 29.500 31.759 -2.259 1
1 654 . 13 1 1 A 56 56 LYS N N 94 115.200 117.036 -1.836 1
1 655 . 13 1 1 A 57 57 ALA H H 95 8.840 7.709 1.131 1
1 656 . 13 1 1 A 57 57 ALA HA H 95 3.940 4.047 -0.107 1
1 660 . 13 1 1 A 57 57 ALA C C 95 175.754 180.019 -4.265 1
1 661 . 13 1 1 A 57 57 ALA CA C 95 52.670 55.047 -2.377 1
1 662 . 13 1 1 A 57 57 ALA CB C 95 16.070 18.088 -2.018 1
1 663 . 13 1 1 A 57 57 ALA N N 95 124.210 122.519 1.691 1
1 664 . 13 1 1 A 58 58 ALA H H 96 8.816 7.609 1.207 1
1 665 . 13 1 1 A 58 58 ALA HA H 96 4.043 4.104 -0.061 1
1 669 . 13 1 1 A 58 58 ALA C C 96 177.600 179.806 -2.206 1
1 670 . 13 1 1 A 58 58 ALA CA C 96 52.770 54.735 -1.965 1
1 671 . 13 1 1 A 58 58 ALA CB C 96 13.560 18.337 -4.777 1
1 672 . 13 1 1 A 58 58 ALA N N 96 120.500 120.130 0.370 1
1 673 . 13 1 1 A 59 59 GLN H H 97 8.490 8.250 0.240 1
1 674 . 13 1 1 A 59 59 GLN HA H 97 3.960 4.074 -0.114 1
1 681 . 13 1 1 A 59 59 GLN C C 97 175.100 178.051 -2.951 1
1 682 . 13 1 1 A 59 59 GLN CA C 97 56.370 58.197 -1.827 1
1 683 . 13 1 1 A 59 59 GLN CB C 97 26.500 27.485 -0.985 1
1 684 . 13 1 1 A 59 59 GLN N N 97 118.750 116.225 2.525 1
1 686 . 13 1 1 A 60 60 PHE H H 98 8.020 7.933 0.087 1
1 687 . 13 1 1 A 60 60 PHE HA H 98 4.120 4.227 -0.107 1
1 694 . 13 1 1 A 60 60 PHE C C 98 174.780 177.416 -2.636 1
1 695 . 13 1 1 A 60 60 PHE CA C 98 58.650 61.533 -2.883 1
1 696 . 13 1 1 A 60 60 PHE CB C 98 35.240 39.590 -4.350 1
1 697 . 13 1 1 A 60 60 PHE N N 98 122.380 121.778 0.602 1
1 698 . 13 1 1 A 61 61 TYR H H 99 7.900 8.368 -0.468 1
1 699 . 13 1 1 A 61 61 TYR HA H 99 3.900 4.234 -0.334 1
1 704 . 13 1 1 A 61 61 TYR C C 99 175.494 177.787 -2.293 1
1 705 . 13 1 1 A 61 61 TYR CA C 99 60.600 61.712 -1.112 1
1 706 . 13 1 1 A 61 61 TYR CB C 99 36.120 38.417 -2.297 1
1 707 . 13 1 1 A 61 61 TYR N N 99 118.100 119.886 -1.786 1
1 708 . 13 1 1 A 62 62 MET H H 100 8.170 8.154 0.016 1
1 709 . 13 1 1 A 62 62 MET HA H 100 3.810 4.132 -0.322 1
1 717 . 13 1 1 A 62 62 MET C C 100 175.130 178.166 -3.036 1
1 718 . 13 1 1 A 62 62 MET CA C 100 56.270 58.251 -1.981 1
1 719 . 13 1 1 A 62 62 MET CB C 100 31.260 32.212 -0.952 1
1 722 . 13 1 1 A 62 62 MET N N 100 118.350 118.396 -0.046 1
1 723 . 13 1 1 A 63 63 THR H H 101 7.720 7.715 0.005 1
1 724 . 13 1 1 A 63 63 THR HA H 101 4.120 4.024 0.096 1
1 729 . 13 1 1 A 63 63 THR C C 101 172.265 175.777 -3.512 1
1 730 . 13 1 1 A 63 63 THR CA C 101 60.060 64.126 -4.066 1
1 731 . 13 1 1 A 63 63 THR CB C 101 66.880 68.672 -1.792 1
1 733 . 13 1 1 A 63 63 THR N N 101 110.720 113.271 -2.551 1
1 734 . 13 1 1 A 64 64 ASN H H 102 7.620 8.537 -0.917 1
1 735 . 13 1 1 A 64 64 ASN HA H 102 4.541 4.483 0.058 1
1 740 . 13 1 1 A 64 64 ASN C C 102 172.591 175.862 -3.271 1
1 741 . 13 1 1 A 64 64 ASN CA C 102 51.480 54.213 -2.733 1
1 742 . 13 1 1 A 64 64 ASN CB C 102 36.830 36.820 0.010 1
1 743 . 13 1 1 A 64 64 ASN N N 102 114.000 118.491 -4.491 1
1 745 . 13 1 1 A 65 65 ALA H H 103 8.060 7.642 0.418 1
1 746 . 13 1 1 A 65 65 ALA HA H 103 4.183 4.517 -0.334 1
1 750 . 13 1 1 A 65 65 ALA C C 103 176.032 178.441 -2.409 1
1 751 . 13 1 1 A 65 65 ALA CA C 103 51.130 51.986 -0.856 1
1 752 . 13 1 1 A 65 65 ALA CB C 103 16.230 19.027 -2.797 1
1 753 . 13 1 1 A 65 65 ALA N N 103 123.910 121.345 2.565 1
1 754 . 13 1 1 A 66 66 GLY H H 104 8.220 7.826 0.394 1
1 755 . 13 1 1 A 66 66 GLY HA2 H 104 3.883 3.922 -0.039 1
1 756 . 13 1 1 A 66 66 GLY C C 104 172.222 175.195 -2.973 1
1 757 . 13 1 1 A 66 66 GLY CA C 104 43.170 45.719 -2.549 1
1 758 . 13 1 1 A 66 66 GLY N N 104 106.420 107.651 -1.231 1
1 759 . 13 1 1 A 67 67 LEU H H 105 7.890 7.271 0.619 1
1 760 . 13 1 1 A 67 67 LEU HA H 105 4.290 4.557 -0.267 1
1 770 . 13 1 1 A 67 67 LEU C C 105 175.406 177.646 -2.240 1
1 771 . 13 1 1 A 67 67 LEU CA C 105 53.110 55.462 -2.352 1
1 772 . 13 1 1 A 67 67 LEU CB C 105 39.740 43.130 -3.390 1
1 776 . 13 1 1 A 67 67 LEU N N 105 120.570 117.136 3.434 1
1 777 . 13 1 1 A 68 68 THR H H 106 7.940 8.802 -0.862 1
1 778 . 13 1 1 A 68 68 THR HA H 106 4.330 4.579 -0.249 1
1 783 . 13 1 1 A 68 68 THR C C 106 172.806 175.470 -2.664 1
1 784 . 13 1 1 A 68 68 THR CA C 106 59.700 62.372 -2.672 1
1 785 . 13 1 1 A 68 68 THR CB C 106 67.140 68.551 -1.411 1
1 787 . 13 1 1 A 68 68 THR N N 106 111.750 113.809 -2.059 1
1 788 . 13 1 1 A 69 69 GLY H H 107 8.340 8.397 -0.057 1
1 789 . 13 1 1 A 69 69 GLY HA2 H 107 3.940 3.814 0.126 1
1 790 . 13 1 1 A 69 69 GLY C C 107 171.503 174.709 -3.206 1
1 791 . 13 1 1 A 69 69 GLY CA C 107 42.990 47.107 -4.117 1
1 792 . 13 1 1 A 69 69 GLY N N 107 110.910 110.639 0.271 1
1 793 . 13 1 1 A 70 70 ARG H H 108 7.930 7.923 0.007 1
1 794 . 13 1 1 A 70 70 ARG HA H 108 4.355 4.448 -0.093 1
1 801 . 13 1 1 A 70 70 ARG C C 108 173.543 177.054 -3.511 1
1 802 . 13 1 1 A 70 70 ARG CA C 108 53.170 56.895 -3.725 1
1 803 . 13 1 1 A 70 70 ARG CB C 108 28.470 30.912 -2.442 1
1 806 . 13 1 1 A 70 70 ARG N N 108 119.900 117.397 2.503 1
1 807 . 13 1 1 A 71 71 SER H H 109 8.400 7.782 0.618 1
1 808 . 13 1 1 A 71 71 SER HA H 109 4.409 4.693 -0.284 1
1 811 . 13 1 1 A 71 71 SER C C 109 172.430 174.983 -2.553 1
1 812 . 13 1 1 A 71 71 SER CA C 109 55.630 57.084 -1.454 1
1 813 . 13 1 1 A 71 71 SER CB C 109 61.060 63.518 -2.458 1
1 814 . 13 1 1 A 71 71 SER N N 109 116.970 112.814 4.156 1
1 815 . 13 1 1 A 72 72 MET H H 110 8.590 7.798 0.792 1
1 816 . 13 1 1 A 72 72 MET HA H 110 4.394 4.616 -0.222 1
1 822 . 13 1 1 A 72 72 MET C C 110 173.487 175.624 -2.137 1
1 823 . 13 1 1 A 72 72 MET CA C 110 53.320 56.703 -3.383 1
1 824 . 13 1 1 A 72 72 MET CB C 110 29.300 31.593 -2.293 1
1 825 . 13 1 1 A 72 72 MET N N 110 122.250 122.722 -0.472 1
1 826 . 13 1 1 A 73 73 ASP H H 111 8.260 8.657 -0.397 1
1 827 . 13 1 1 A 73 73 ASP HA H 111 4.514 4.573 -0.059 1
1 830 . 13 1 1 A 73 73 ASP C C 111 173.886 175.466 -1.580 1
1 831 . 13 1 1 A 73 73 ASP CA C 111 52.150 56.179 -4.029 1
1 832 . 13 1 1 A 73 73 ASP CB C 111 38.310 40.547 -2.237 1
1 833 . 13 1 1 A 73 73 ASP N N 111 119.420 117.449 1.971 1
1 834 . 13 1 1 A 74 74 THR H H 112 7.900 7.904 -0.004 1
1 835 . 13 1 1 A 74 74 THR HA H 112 4.142 4.602 -0.460 1
1 840 . 13 1 1 A 74 74 THR C C 112 172.029 174.422 -2.393 1
1 841 . 13 1 1 A 74 74 THR CA C 112 59.640 62.508 -2.868 1
1 842 . 13 1 1 A 74 74 THR CB C 112 66.820 70.100 -3.280 1
1 844 . 13 1 1 A 74 74 THR N N 112 112.950 106.533 6.417 1
1 845 . 13 1 1 A 75 75 VAL H H 113 7.840 7.839 0.001 1
1 846 . 13 1 1 A 75 75 VAL HA H 113 3.950 4.259 -0.309 1
1 854 . 13 1 1 A 75 75 VAL C C 113 173.067 174.916 -1.849 1
1 855 . 13 1 1 A 75 75 VAL CA C 113 60.070 62.015 -1.945 1
1 856 . 13 1 1 A 75 75 VAL CB C 113 29.740 34.000 -4.260 1
1 859 . 13 1 1 A 75 75 VAL N N 113 121.540 119.779 1.761 1
1 860 . 13 1 1 A 76 76 SER H H 114 8.020 8.576 -0.556 1
1 861 . 13 1 1 A 76 76 SER HA H 114 3.974 3.846 0.128 1
1 864 . 13 1 1 A 76 76 SER C C 114 171.259 173.154 -1.895 1
1 865 . 13 1 1 A 76 76 SER CA C 114 55.100 58.981 -3.881 1
1 866 . 13 1 1 A 76 76 SER CB C 114 61.160 62.110 -0.950 1
1 867 . 13 1 1 A 76 76 SER N N 114 117.830 123.119 -5.289 1
1 868 . 13 1 1 A 77 77 TYR H H 115 7.770 6.752 1.018 1
1 869 . 13 1 1 A 77 77 TYR HA H 115 4.240 4.726 -0.486 1
1 874 . 13 1 1 A 77 77 TYR C C 115 172.865 174.201 -1.336 1
1 875 . 13 1 1 A 77 77 TYR CA C 115 55.100 56.533 -1.433 1
1 876 . 13 1 1 A 77 77 TYR CB C 115 36.110 39.998 -3.888 1
1 877 . 13 1 1 A 77 77 TYR N N 115 121.280 117.088 4.192 1
1 878 . 13 1 1 A 78 78 ASN HA H 116 4.790 4.978 -0.188 1
1 883 . 13 1 1 A 78 78 ASN C C 116 172.080 174.991 -2.911 1
1 884 . 13 1 1 A 78 78 ASN CA C 116 48.910 51.505 -2.595 1
1 885 . 13 1 1 A 78 78 ASN CB C 116 35.500 40.997 -5.497 1
1 886 . 13 1 1 A 78 78 ASN N N 116 112.900 117.566 -4.666 1
1 887 . 13 1 1 A 79 79 PHE H H 117 7.410 8.923 -1.513 1
1 888 . 13 1 1 A 79 79 PHE HA H 117 4.440 4.298 0.142 1
1 895 . 13 1 1 A 79 79 PHE C C 117 174.370 176.718 -2.348 1
1 896 . 13 1 1 A 79 79 PHE CA C 117 56.890 60.165 -3.275 1
1 897 . 13 1 1 A 79 79 PHE CB C 117 34.540 38.240 -3.700 1
1 898 . 13 1 1 A 79 79 PHE N N 117 121.190 121.427 -0.237 1
1 899 . 13 1 1 A 80 80 ALA H H 118 8.560 7.369 1.191 1
1 900 . 13 1 1 A 80 80 ALA HA H 118 4.140 4.069 0.071 1
1 904 . 13 1 1 A 80 80 ALA C C 118 176.482 177.201 -0.719 1
1 905 . 13 1 1 A 80 80 ALA CA C 118 52.430 52.684 -0.254 1
1 906 . 13 1 1 A 80 80 ALA CB C 118 16.160 18.575 -2.415 1
1 907 . 13 1 1 A 80 80 ALA N N 118 115.100 120.571 -5.471 1
1 908 . 13 1 1 A 81 81 THR H H 119 7.330 7.670 -0.340 1
1 909 . 13 1 1 A 81 81 THR HA H 119 4.450 4.466 -0.016 1
1 914 . 13 1 1 A 81 81 THR C C 119 172.909 173.744 -0.835 1
1 915 . 13 1 1 A 81 81 THR CA C 119 59.270 61.161 -1.891 1
1 916 . 13 1 1 A 81 81 THR CB C 119 66.770 69.475 -2.705 1
1 918 . 13 1 1 A 81 81 THR N N 119 104.710 112.208 -7.498 1
1 919 . 13 1 1 A 82 82 GLU H H 120 7.890 7.589 0.301 1
1 920 . 13 1 1 A 82 82 GLU HA H 120 4.260 4.579 -0.319 1
1 924 . 13 1 1 A 82 82 GLU C C 120 177.060 174.961 2.099 1
1 925 . 13 1 1 A 82 82 GLU CA C 120 54.740 54.981 -0.241 1
1 926 . 13 1 1 A 82 82 GLU N N 120 120.760 118.230 2.530 1
1 927 . 13 1 1 A 83 83 ILE H H 121 7.630 7.162 0.468 1
1 928 . 13 1 1 A 83 83 ILE HA H 121 3.330 2.780 0.550 1
1 938 . 13 1 1 A 83 83 ILE CA C 121 57.580 60.305 -2.725 1
1 939 . 13 1 1 A 83 83 ILE CB C 121 35.770 38.636 -2.866 1
1 943 . 13 1 1 A 83 83 ILE N N 121 118.900 119.409 -0.509 1
1 944 . 13 1 1 A 84 84 PRO HA H 122 4.200 4.545 -0.345 1
1 951 . 13 1 1 A 84 84 PRO CA C 122 60.510 62.397 -1.887 1
1 952 . 13 1 1 A 84 84 PRO CB C 122 27.260 31.702 -4.442 1
1 955 . 13 1 1 A 86 86 THR HA H 124 3.869 3.979 -0.110 1
1 960 . 13 1 1 A 86 86 THR C C 124 172.991 176.382 -3.391 1
1 961 . 13 1 1 A 86 86 THR CA C 124 61.980 65.957 -3.977 1
1 962 . 13 1 1 A 86 86 THR CB C 124 65.710 68.627 -2.917 1
1 964 . 13 1 1 A 87 87 ILE H H 125 7.340 7.830 -0.490 1
1 965 . 13 1 1 A 87 87 ILE HA H 125 3.920 3.776 0.144 1
1 975 . 13 1 1 A 87 87 ILE C C 125 175.375 178.317 -2.942 1
1 976 . 13 1 1 A 87 87 ILE CA C 125 61.900 64.422 -2.522 1
1 977 . 13 1 1 A 87 87 ILE CB C 125 35.690 36.989 -1.299 1
1 981 . 13 1 1 A 87 87 ILE N N 125 120.800 121.296 -0.496 1
1 982 . 13 1 1 A 88 88 LEU HA H 126 4.070 3.853 0.217 1
1 992 . 13 1 1 A 88 88 LEU C C 126 177.060 178.742 -1.682 1
1 993 . 13 1 1 A 88 88 LEU CA C 126 55.950 57.089 -1.139 1
1 994 . 13 1 1 A 88 88 LEU CB C 126 39.710 41.324 -1.614 1
1 998 . 13 1 1 A 89 89 LYS H H 127 8.095 7.945 0.150 1
1 999 . 13 1 1 A 89 89 LYS HA H 127 4.030 3.872 0.158 1
1 1008 . 13 1 1 A 89 89 LYS C C 127 176.400 178.617 -2.217 1
1 1009 . 13 1 1 A 89 89 LYS CA C 127 56.010 59.005 -2.995 1
1 1010 . 13 1 1 A 89 89 LYS CB C 127 29.650 31.649 -1.999 1
1 1014 . 13 1 1 A 89 89 LYS N N 127 116.100 120.899 -4.799 1
1 1015 . 13 1 1 A 90 90 LYS H H 128 7.848 8.001 -0.153 1
1 1016 . 13 1 1 A 90 90 LYS HA H 128 4.160 4.087 0.073 1
1 1019 . 13 1 1 A 90 90 LYS C C 128 174.859 178.861 -4.002 1
1 1020 . 13 1 1 A 90 90 LYS CA C 128 54.750 57.827 -3.077 1
1 1021 . 13 1 1 A 90 90 LYS CB C 128 29.280 32.491 -3.211 1
1 1022 . 13 1 1 A 90 90 LYS N N 128 119.230 117.880 1.350 1
1 1023 . 13 1 1 A 91 91 LEU H H 129 7.640 7.130 0.510 1
1 1024 . 13 1 1 A 91 91 LEU HA H 129 4.250 3.132 1.118 1
1 1034 . 13 1 1 A 91 91 LEU CA C 129 52.280 57.278 -4.998 1
1 1035 . 13 1 1 A 91 91 LEU CB C 129 39.000 40.817 -1.817 1
1 1039 . 13 1 1 A 91 91 LEU N N 129 112.650 121.572 -8.922 1
1 1040 . 13 1 1 A 92 92 ASN H H 130 7.560 7.500 0.060 1
1 1041 . 13 1 1 A 92 92 ASN HA H 130 4.300 3.648 0.652 1
1 1046 . 13 1 1 A 92 92 ASN C C 130 172.034 174.803 -2.769 1
1 1047 . 13 1 1 A 92 92 ASN CA C 130 55.070 57.635 -2.565 1
1 1048 . 13 1 1 A 92 92 ASN CB C 130 32.670 37.676 -5.006 1
1 1049 . 13 1 1 A 92 92 ASN N N 130 111.100 116.396 -5.296 1
1 1051 . 13 1 1 A 93 93 PRO HA H 131 4.220 4.368 -0.148 1
1 1058 . 13 1 1 A 93 93 PRO C C 131 173.540 177.440 -3.900 1
1 1059 . 13 1 1 A 93 93 PRO CA C 131 62.300 64.906 -2.606 1
1 1060 . 13 1 1 A 93 93 PRO CB C 131 28.140 31.671 -3.531 1
1 1062 . 13 1 1 A 94 94 TYR H H 132 7.630 8.216 -0.586 1
1 1063 . 13 1 1 A 94 94 TYR HA H 132 4.630 4.550 0.080 1
1 1068 . 13 1 1 A 94 94 TYR C C 132 172.700 176.257 -3.557 1
1 1069 . 13 1 1 A 94 94 TYR CA C 132 54.130 57.526 -3.396 1
1 1070 . 13 1 1 A 94 94 TYR CB C 132 36.500 39.817 -3.317 1
1 1071 . 13 1 1 A 94 94 TYR N N 132 114.100 118.766 -4.666 1
1 1072 . 13 1 1 A 95 95 ARG H H 133 7.250 9.022 -1.772 1
1 1073 . 13 1 1 A 95 95 ARG HA H 133 4.290 4.021 0.269 1
1 1081 . 13 1 1 A 95 95 ARG C C 133 173.763 178.032 -4.269 1
1 1082 . 13 1 1 A 95 95 ARG CA C 133 54.740 59.315 -4.575 1
1 1083 . 13 1 1 A 95 95 ARG CB C 133 27.880 29.739 -1.859 1
1 1086 . 13 1 1 A 95 95 ARG N N 133 119.390 121.831 -2.441 1
1 1088 . 13 1 1 A 96 96 LYS H H 134 8.658 7.496 1.162 1
1 1089 . 13 1 1 A 96 96 LYS HA H 134 4.490 4.010 0.480 1
1 1098 . 13 1 1 A 96 96 LYS C C 134 173.560 177.748 -4.188 1
1 1099 . 13 1 1 A 96 96 LYS CA C 134 52.580 58.607 -6.027 1
1 1100 . 13 1 1 A 96 96 LYS CB C 134 30.590 32.018 -1.428 1
1 1104 . 13 1 1 A 96 96 LYS N N 134 125.000 119.623 5.377 1
1 1105 . 13 1 1 A 97 97 MET H H 135 8.330 7.527 0.803 1
1 1106 . 13 1 1 A 97 97 MET HA H 135 4.420 4.561 -0.141 1
1 1114 . 13 1 1 A 97 97 MET C C 135 172.970 176.666 -3.696 1
1 1115 . 13 1 1 A 97 97 MET CA C 135 52.490 55.231 -2.741 1
1 1116 . 13 1 1 A 97 97 MET CB C 135 30.530 32.157 -1.627 1
1 1118 . 13 1 1 A 97 97 MET N N 135 120.890 116.177 4.713 1
1 1119 . 13 1 1 A 98 98 ALA H H 136 8.290 7.921 0.369 1
1 1120 . 13 1 1 A 98 98 ALA HA H 136 4.180 4.379 -0.199 1
1 1124 . 13 1 1 A 98 98 ALA C C 136 173.767 176.485 -2.718 1
1 1125 . 13 1 1 A 98 98 ALA CA C 136 49.750 51.998 -2.248 1
1 1126 . 13 1 1 A 98 98 ALA CB C 136 16.350 17.467 -1.117 1
1 1127 . 13 1 1 A 98 98 ALA N N 136 126.050 121.596 4.454 1
1 1 . 14 1 1 A 3 3 VAL HA H 41 3.360 3.761 -0.401 1
1 9 . 14 1 1 A 3 3 VAL CA C 41 64.070 65.545 -1.475 1
1 10 . 14 1 1 A 3 3 VAL CB C 41 28.620 31.441 -2.821 1
1 13 . 14 1 1 A 4 4 LYS H H 42 8.223 8.163 0.060 1
1 14 . 14 1 1 A 4 4 LYS HA H 42 3.610 4.023 -0.413 1
1 21 . 14 1 1 A 4 4 LYS C C 42 175.928 178.765 -2.837 1
1 22 . 14 1 1 A 4 4 LYS CA C 42 58.640 58.777 -0.137 1
1 23 . 14 1 1 A 4 4 LYS CB C 42 28.640 31.890 -3.250 1
1 25 . 14 1 1 A 4 4 LYS N N 42 118.080 120.711 -2.631 1
1 26 . 14 1 1 A 5 5 ARG H H 43 7.920 7.701 0.219 1
1 27 . 14 1 1 A 5 5 ARG HA H 43 4.060 4.081 -0.021 1
1 34 . 14 1 1 A 5 5 ARG C C 43 177.798 178.706 -0.908 1
1 35 . 14 1 1 A 5 5 ARG CA C 43 56.640 58.704 -2.064 1
1 36 . 14 1 1 A 5 5 ARG CB C 43 27.200 29.814 -2.614 1
1 38 . 14 1 1 A 5 5 ARG N N 43 117.720 119.882 -2.162 1
1 39 . 14 1 1 A 6 6 LEU H H 44 7.660 8.022 -0.362 1
1 40 . 14 1 1 A 6 6 LEU HA H 44 4.100 4.111 -0.011 1
1 50 . 14 1 1 A 6 6 LEU C C 44 176.114 178.309 -2.195 1
1 51 . 14 1 1 A 6 6 LEU CA C 44 55.100 57.258 -2.158 1
1 52 . 14 1 1 A 6 6 LEU CB C 44 39.570 42.163 -2.593 1
1 56 . 14 1 1 A 6 6 LEU N N 44 121.040 119.184 1.856 1
1 57 . 14 1 1 A 7 7 LEU H H 45 7.520 7.834 -0.314 1
1 58 . 14 1 1 A 7 7 LEU HA H 45 4.350 4.501 -0.151 1
1 68 . 14 1 1 A 7 7 LEU C C 45 172.937 178.180 -5.243 1
1 69 . 14 1 1 A 7 7 LEU CA C 45 51.480 54.806 -3.326 1
1 70 . 14 1 1 A 7 7 LEU CB C 45 40.300 42.200 -1.900 1
1 74 . 14 1 1 A 7 7 LEU N N 45 116.660 114.119 2.541 1
1 75 . 14 1 1 A 8 8 SER H H 46 7.840 8.111 -0.271 1
1 76 . 14 1 1 A 8 8 SER HA H 46 3.960 4.387 -0.427 1
1 79 . 14 1 1 A 8 8 SER CA C 46 56.360 61.342 -4.982 1
1 80 . 14 1 1 A 8 8 SER CB C 46 58.870 62.846 -3.976 1
1 81 . 14 1 1 A 8 8 SER N N 46 113.750 115.920 -2.170 1
1 82 . 14 1 1 A 9 9 ILE H H 47 8.290 7.370 0.920 1
1 83 . 14 1 1 A 9 9 ILE HA H 47 4.230 4.561 -0.331 1
1 93 . 14 1 1 A 9 9 ILE C C 47 174.540 175.220 -0.680 1
1 94 . 14 1 1 A 9 9 ILE CA C 47 58.680 61.195 -2.515 1
1 95 . 14 1 1 A 9 9 ILE CB C 47 36.912 40.033 -3.121 1
1 99 . 14 1 1 A 9 9 ILE N N 47 119.850 114.240 5.610 1
1 100 . 14 1 1 A 10 10 THR H H 48 8.760 7.859 0.901 1
1 101 . 14 1 1 A 10 10 THR HA H 48 4.465 4.659 -0.194 1
1 106 . 14 1 1 A 10 10 THR C C 48 171.266 173.741 -2.475 1
1 107 . 14 1 1 A 10 10 THR CA C 48 58.390 60.626 -2.236 1
1 108 . 14 1 1 A 10 10 THR CB C 48 66.310 69.081 -2.771 1
1 110 . 14 1 1 A 10 10 THR N N 48 117.590 116.999 0.591 1
1 111 . 14 1 1 A 11 11 ASN H H 49 7.360 7.946 -0.586 1
1 112 . 14 1 1 A 11 11 ASN HA H 49 4.909 4.867 0.042 1
1 117 . 14 1 1 A 11 11 ASN C C 49 172.506 175.288 -2.782 1
1 118 . 14 1 1 A 11 11 ASN CA C 49 49.430 54.460 -5.030 1
1 119 . 14 1 1 A 11 11 ASN CB C 49 37.420 40.407 -2.987 1
1 120 . 14 1 1 A 11 11 ASN N N 49 113.560 121.624 -8.064 1
1 122 . 14 1 1 A 12 12 ASP H H 50 8.256 8.031 0.225 1
1 123 . 14 1 1 A 12 12 ASP HA H 50 4.650 4.805 -0.155 1
1 126 . 14 1 1 A 12 12 ASP C C 50 176.400 177.200 -0.800 1
1 127 . 14 1 1 A 12 12 ASP CA C 50 51.210 53.460 -2.250 1
1 128 . 14 1 1 A 12 12 ASP CB C 50 38.080 42.322 -4.242 1
1 129 . 14 1 1 A 12 12 ASP N N 50 117.210 121.103 -3.893 1
1 130 . 14 1 1 A 13 13 LYS H H 51 7.895 8.894 -0.999 1
1 131 . 14 1 1 A 13 13 LYS HA H 51 3.840 4.123 -0.283 1
1 140 . 14 1 1 A 13 13 LYS C C 51 174.700 178.129 -3.429 1
1 141 . 14 1 1 A 13 13 LYS CA C 51 56.320 58.967 -2.647 1
1 142 . 14 1 1 A 13 13 LYS CB C 51 29.760 32.400 -2.640 1
1 146 . 14 1 1 A 13 13 LYS N N 51 120.500 120.350 0.150 1
1 147 . 14 1 1 A 14 14 HIS H H 52 9.000 8.299 0.701 1
1 148 . 14 1 1 A 14 14 HIS HA H 52 5.120 4.638 0.482 1
1 152 . 14 1 1 A 14 14 HIS C C 52 173.200 176.600 -3.400 1
1 153 . 14 1 1 A 14 14 HIS CA C 52 52.370 58.101 -5.731 1
1 154 . 14 1 1 A 14 14 HIS CB C 52 27.520 28.814 -1.294 1
1 155 . 14 1 1 A 14 14 HIS N N 52 116.200 117.802 -1.602 1
1 156 . 14 1 1 A 15 15 ASP H H 53 7.640 8.762 -1.122 1
1 157 . 14 1 1 A 15 15 ASP HA H 53 4.120 4.405 -0.285 1
1 160 . 14 1 1 A 15 15 ASP C C 53 176.183 178.397 -2.214 1
1 161 . 14 1 1 A 15 15 ASP CA C 53 56.060 56.765 -0.705 1
1 162 . 14 1 1 A 15 15 ASP CB C 53 36.350 39.731 -3.381 1
1 163 . 14 1 1 A 15 15 ASP N N 53 122.780 119.575 3.205 1
1 164 . 14 1 1 A 16 16 GLU H H 54 8.890 7.580 1.310 1
1 165 . 14 1 1 A 16 16 GLU HA H 54 4.020 4.050 -0.030 1
1 170 . 14 1 1 A 16 16 GLU CA C 54 57.770 59.460 -1.690 1
1 171 . 14 1 1 A 16 16 GLU CB C 54 26.330 29.543 -3.213 1
1 173 . 14 1 1 A 16 16 GLU N N 54 122.770 120.590 2.180 1
1 174 . 14 1 1 A 17 17 TYR H H 55 8.130 8.201 -0.071 1
1 175 . 14 1 1 A 17 17 TYR HA H 55 4.390 4.169 0.221 1
1 180 . 14 1 1 A 17 17 TYR C C 55 175.213 177.750 -2.537 1
1 181 . 14 1 1 A 17 17 TYR CA C 55 58.150 61.407 -3.257 1
1 182 . 14 1 1 A 17 17 TYR CB C 55 36.000 38.785 -2.785 1
1 185 . 14 1 1 A 17 17 TYR N N 55 121.000 120.710 0.290 1
1 186 . 14 1 1 A 18 18 LEU H H 56 8.740 8.643 0.097 1
1 187 . 14 1 1 A 18 18 LEU HA H 56 3.710 3.682 0.028 1
1 197 . 14 1 1 A 18 18 LEU C C 56 175.500 178.645 -3.145 1
1 198 . 14 1 1 A 18 18 LEU CA C 56 55.470 58.005 -2.535 1
1 199 . 14 1 1 A 18 18 LEU CB C 56 39.920 41.288 -1.368 1
1 203 . 14 1 1 A 18 18 LEU N N 56 118.100 119.834 -1.734 1
1 204 . 14 1 1 A 19 19 THR H H 57 8.420 7.890 0.530 1
1 205 . 14 1 1 A 19 19 THR HA H 57 3.820 3.743 0.077 1
1 210 . 14 1 1 A 19 19 THR C C 57 172.234 176.320 -4.086 1
1 211 . 14 1 1 A 19 19 THR CA C 57 64.220 66.452 -2.232 1
1 212 . 14 1 1 A 19 19 THR CB C 57 66.050 68.903 -2.853 1
1 214 . 14 1 1 A 19 19 THR N N 57 114.940 115.690 -0.750 1
1 215 . 14 1 1 A 20 20 GLU H H 58 7.087 7.513 -0.426 1
1 216 . 14 1 1 A 20 20 GLU HA H 58 4.320 3.907 0.413 1
1 221 . 14 1 1 A 20 20 GLU C C 58 175.554 179.155 -3.601 1
1 222 . 14 1 1 A 20 20 GLU CA C 58 55.170 59.254 -4.084 1
1 223 . 14 1 1 A 20 20 GLU CB C 58 27.920 28.734 -0.814 1
1 225 . 14 1 1 A 20 20 GLU N N 58 117.800 119.260 -1.460 1
1 226 . 14 1 1 A 21 21 MET H H 59 8.320 7.271 1.049 1
1 227 . 14 1 1 A 21 21 MET HA H 59 4.330 2.738 1.592 1
1 235 . 14 1 1 A 21 21 MET C C 59 175.330 178.213 -2.883 1
1 236 . 14 1 1 A 21 21 MET CA C 59 54.270 57.718 -3.448 1
1 237 . 14 1 1 A 21 21 MET CB C 59 30.620 31.712 -1.092 1
1 240 . 14 1 1 A 21 21 MET N N 59 116.300 119.216 -2.916 1
1 241 . 14 1 1 A 22 22 VAL H H 60 8.800 7.617 1.183 1
1 242 . 14 1 1 A 22 22 VAL HA H 60 3.630 3.394 0.236 1
1 250 . 14 1 1 A 22 22 VAL C C 60 172.042 174.468 -2.426 1
1 251 . 14 1 1 A 22 22 VAL CA C 60 66.980 67.160 -0.180 1
1 252 . 14 1 1 A 22 22 VAL CB C 60 26.120 29.305 -3.185 1
1 255 . 14 1 1 A 22 22 VAL N N 60 117.600 119.238 -1.638 1
1 256 . 14 1 1 A 23 23 PRO HA H 61 4.270 4.325 -0.055 1
1 263 . 14 1 1 A 23 23 PRO C C 61 177.110 179.063 -1.953 1
1 264 . 14 1 1 A 23 23 PRO CA C 61 63.460 65.281 -1.821 1
1 265 . 14 1 1 A 23 23 PRO CB C 61 28.400 31.241 -2.841 1
1 267 . 14 1 1 A 24 24 LEU H H 62 6.700 7.218 -0.518 1
1 268 . 14 1 1 A 24 24 LEU HA H 62 4.250 4.033 0.217 1
1 278 . 14 1 1 A 24 24 LEU C C 62 177.872 179.070 -1.198 1
1 279 . 14 1 1 A 24 24 LEU CA C 62 55.130 57.873 -2.743 1
1 280 . 14 1 1 A 24 24 LEU CB C 62 39.440 41.872 -2.432 1
1 284 . 14 1 1 A 24 24 LEU N N 62 115.750 117.677 -1.927 1
1 285 . 14 1 1 A 25 25 LEU H H 63 8.190 7.787 0.403 1
1 286 . 14 1 1 A 25 25 LEU HA H 63 3.920 4.129 -0.209 1
1 296 . 14 1 1 A 25 25 LEU C C 63 176.367 178.486 -2.119 1
1 297 . 14 1 1 A 25 25 LEU CA C 63 54.950 58.318 -3.368 1
1 298 . 14 1 1 A 25 25 LEU CB C 63 41.090 41.955 -0.865 1
1 302 . 14 1 1 A 25 25 LEU N N 63 121.800 119.989 1.811 1
1 303 . 14 1 1 A 26 26 VAL H H 64 8.590 8.707 -0.117 1
1 304 . 14 1 1 A 26 26 VAL HA H 64 3.480 3.497 -0.017 1
1 312 . 14 1 1 A 26 26 VAL C C 64 174.801 178.429 -3.628 1
1 313 . 14 1 1 A 26 26 VAL CA C 64 64.860 67.137 -2.277 1
1 314 . 14 1 1 A 26 26 VAL CB C 64 28.900 31.181 -2.281 1
1 317 . 14 1 1 A 26 26 VAL N N 64 120.990 119.369 1.621 1
1 318 . 14 1 1 A 27 27 GLU H H 65 8.090 8.201 -0.111 1
1 319 . 14 1 1 A 27 27 GLU HA H 65 3.970 4.107 -0.137 1
1 324 . 14 1 1 A 27 27 GLU C C 65 176.169 178.843 -2.674 1
1 325 . 14 1 1 A 27 27 GLU CA C 65 56.990 59.462 -2.472 1
1 326 . 14 1 1 A 27 27 GLU CB C 65 26.540 29.429 -2.889 1
1 328 . 14 1 1 A 27 27 GLU N N 65 118.990 120.217 -1.227 1
1 329 . 14 1 1 A 28 28 PHE H H 66 8.075 8.075 0.000 1
1 330 . 14 1 1 A 28 28 PHE HA H 66 4.570 4.253 0.317 1
1 337 . 14 1 1 A 28 28 PHE C C 66 173.482 177.476 -3.994 1
1 338 . 14 1 1 A 28 28 PHE CA C 66 58.390 61.929 -3.539 1
1 339 . 14 1 1 A 28 28 PHE CB C 66 36.680 39.372 -2.692 1
1 340 . 14 1 1 A 28 28 PHE N N 66 119.000 121.342 -2.342 1
1 341 . 14 1 1 A 29 29 ALA H H 67 8.420 8.848 -0.428 1
1 342 . 14 1 1 A 29 29 ALA HA H 67 3.500 3.744 -0.244 1
1 346 . 14 1 1 A 29 29 ALA C C 67 176.624 179.470 -2.846 1
1 347 . 14 1 1 A 29 29 ALA CA C 67 52.800 54.986 -2.186 1
1 348 . 14 1 1 A 29 29 ALA CB C 67 15.290 18.134 -2.844 1
1 349 . 14 1 1 A 29 29 ALA N N 67 121.810 121.106 0.704 1
1 350 . 14 1 1 A 30 30 LYS H H 68 8.227 7.645 0.582 1
1 351 . 14 1 1 A 30 30 LYS HA H 68 4.090 3.944 0.146 1
1 360 . 14 1 1 A 30 30 LYS C C 68 177.400 179.197 -1.797 1
1 361 . 14 1 1 A 30 30 LYS CA C 68 56.700 58.764 -2.064 1
1 362 . 14 1 1 A 30 30 LYS CB C 68 31.230 31.236 -0.006 1
1 366 . 14 1 1 A 30 30 LYS N N 68 117.500 118.249 -0.749 1
1 367 . 14 1 1 A 31 31 ASP H H 69 7.820 8.104 -0.284 1
1 368 . 14 1 1 A 31 31 ASP HA H 69 4.210 4.708 -0.498 1
1 371 . 14 1 1 A 31 31 ASP C C 69 176.438 178.336 -1.898 1
1 372 . 14 1 1 A 31 31 ASP CA C 69 54.310 56.970 -2.660 1
1 373 . 14 1 1 A 31 31 ASP CB C 69 38.320 41.453 -3.133 1
1 374 . 14 1 1 A 31 31 ASP N N 69 120.370 119.722 0.648 1
1 375 . 14 1 1 A 32 32 GLU H H 70 8.840 9.096 -0.256 1
1 376 . 14 1 1 A 32 32 GLU HA H 70 3.730 4.149 -0.419 1
1 381 . 14 1 1 A 32 32 GLU C C 70 176.119 177.107 -0.988 1
1 382 . 14 1 1 A 32 32 GLU CA C 70 55.270 58.457 -3.187 1
1 383 . 14 1 1 A 32 32 GLU CB C 70 26.810 28.067 -1.257 1
1 385 . 14 1 1 A 32 32 GLU N N 70 120.750 115.999 4.751 1
1 386 . 14 1 1 A 33 33 CYS H H 71 7.960 7.899 0.061 1
1 387 . 14 1 1 A 33 33 CYS HA H 71 4.070 4.732 -0.662 1
1 390 . 14 1 1 A 33 33 CYS C C 71 170.993 174.900 -3.907 1
1 391 . 14 1 1 A 33 33 CYS CA C 71 58.160 59.285 -1.125 1
1 392 . 14 1 1 A 33 33 CYS CB C 71 26.000 28.099 -2.099 1
1 393 . 14 1 1 A 33 33 CYS N N 71 111.530 118.327 -6.797 1
1 394 . 14 1 1 A 34 34 HIS H H 72 7.560 8.196 -0.636 1
1 395 . 14 1 1 A 34 34 HIS HA H 72 4.040 4.311 -0.271 1
1 398 . 14 1 1 A 34 34 HIS C C 72 170.400 174.695 -4.295 1
1 399 . 14 1 1 A 34 34 HIS CA C 72 53.230 59.348 -6.118 1
1 400 . 14 1 1 A 34 34 HIS CB C 72 23.830 27.540 -3.710 1
1 401 . 14 1 1 A 34 34 HIS N N 72 118.100 115.602 2.498 1
1 402 . 14 1 1 A 35 35 ASN H H 73 7.590 8.202 -0.612 1
1 403 . 14 1 1 A 35 35 ASN HA H 73 4.805 4.870 -0.065 1
1 408 . 14 1 1 A 35 35 ASN C C 73 170.429 175.577 -5.148 1
1 409 . 14 1 1 A 35 35 ASN CA C 73 46.130 51.334 -5.204 1
1 410 . 14 1 1 A 35 35 ASN CB C 73 39.580 38.643 0.937 1
1 411 . 14 1 1 A 35 35 ASN N N 73 112.400 118.101 -5.701 1
1 413 . 14 1 1 A 36 36 PRO HA H 74 4.120 4.036 0.084 1
1 420 . 14 1 1 A 36 36 PRO C C 74 173.450 176.981 -3.531 1
1 421 . 14 1 1 A 36 36 PRO CA C 74 59.950 63.382 -3.432 1
1 422 . 14 1 1 A 36 36 PRO CB C 74 29.200 31.749 -2.549 1
1 425 . 14 1 1 A 37 37 PHE H H 75 8.057 7.802 0.255 1
1 426 . 14 1 1 A 37 37 PHE HA H 75 4.200 4.199 0.001 1
1 432 . 14 1 1 A 37 37 PHE C C 75 171.107 174.683 -3.576 1
1 433 . 14 1 1 A 37 37 PHE CA C 75 55.120 58.813 -3.693 1
1 434 . 14 1 1 A 37 37 PHE CB C 75 33.760 36.677 -2.917 1
1 436 . 14 1 1 A 38 38 ILE H H 76 7.610 7.538 0.072 1
1 437 . 14 1 1 A 38 38 ILE HA H 76 4.870 4.796 0.074 1
1 447 . 14 1 1 A 38 38 ILE C C 76 174.180 175.309 -1.129 1
1 448 . 14 1 1 A 38 38 ILE CA C 76 56.300 59.638 -3.338 1
1 449 . 14 1 1 A 38 38 ILE CB C 76 38.040 40.345 -2.305 1
1 453 . 14 1 1 A 38 38 ILE N N 76 113.800 119.436 -5.636 1
1 454 . 14 1 1 A 39 39 ASP H H 77 8.830 8.522 0.308 1
1 455 . 14 1 1 A 39 39 ASP HA H 77 4.710 4.865 -0.155 1
1 458 . 14 1 1 A 39 39 ASP C C 77 175.969 176.828 -0.859 1
1 459 . 14 1 1 A 39 39 ASP CA C 77 49.800 51.685 -1.885 1
1 460 . 14 1 1 A 39 39 ASP CB C 77 39.180 42.389 -3.209 1
1 461 . 14 1 1 A 39 39 ASP N N 77 125.380 124.445 0.935 1
1 462 . 14 1 1 A 40 40 LYS H H 78 8.370 8.859 -0.489 1
1 463 . 14 1 1 A 40 40 LYS HA H 78 4.100 3.976 0.124 1
1 468 . 14 1 1 A 40 40 LYS C C 78 174.100 177.333 -3.233 1
1 469 . 14 1 1 A 40 40 LYS CA C 78 55.800 58.454 -2.654 1
1 470 . 14 1 1 A 40 40 LYS CB C 78 29.120 32.418 -3.298 1
1 471 . 14 1 1 A 40 40 LYS N N 78 116.800 119.273 -2.473 1
1 472 . 14 1 1 A 41 41 ASP H H 79 8.030 7.473 0.557 1
1 473 . 14 1 1 A 41 41 ASP HA H 79 4.810 4.794 0.016 1
1 476 . 14 1 1 A 41 41 ASP C C 79 173.360 176.466 -3.106 1
1 477 . 14 1 1 A 41 41 ASP CA C 79 51.650 53.919 -2.269 1
1 478 . 14 1 1 A 41 41 ASP CB C 79 39.570 41.268 -1.698 1
1 479 . 14 1 1 A 41 41 ASP N N 79 118.660 118.316 0.344 1
1 480 . 14 1 1 A 42 42 GLY H H 80 8.090 8.121 -0.031 1
1 481 . 14 1 1 A 42 42 GLY HA2 H 80 4.230 3.937 0.293 1
1 482 . 14 1 1 A 42 42 GLY HA3 H 80 3.490 3.941 -0.451 1
1 483 . 14 1 1 A 42 42 GLY C C 80 171.399 174.288 -2.889 1
1 484 . 14 1 1 A 42 42 GLY CA C 80 42.720 46.234 -3.514 1
1 485 . 14 1 1 A 42 42 GLY N N 80 107.750 108.545 -0.795 1
1 486 . 14 1 1 A 43 43 ASN H H 81 8.470 7.785 0.685 1
1 487 . 14 1 1 A 43 43 ASN HA H 81 4.815 5.122 -0.307 1
1 492 . 14 1 1 A 43 43 ASN C C 81 172.066 174.548 -2.482 1
1 493 . 14 1 1 A 43 43 ASN CA C 81 49.580 52.322 -2.742 1
1 494 . 14 1 1 A 43 43 ASN CB C 81 36.800 40.302 -3.502 1
1 495 . 14 1 1 A 43 43 ASN N N 81 117.600 117.921 -0.321 1
1 497 . 14 1 1 A 44 44 GLU H H 82 8.730 8.575 0.155 1
1 498 . 14 1 1 A 44 44 GLU HA H 82 4.370 4.458 -0.088 1
1 503 . 14 1 1 A 44 44 GLU C C 82 173.651 175.265 -1.614 1
1 504 . 14 1 1 A 44 44 GLU CA C 82 55.170 57.099 -1.929 1
1 505 . 14 1 1 A 44 44 GLU CB C 82 27.740 30.475 -2.735 1
1 507 . 14 1 1 A 44 44 GLU N N 82 123.400 121.778 1.622 1
1 508 . 14 1 1 A 45 45 SER H H 83 8.960 9.149 -0.189 1
1 509 . 14 1 1 A 45 45 SER HA H 83 4.510 4.932 -0.422 1
1 512 . 14 1 1 A 45 45 SER C C 83 170.100 172.834 -2.734 1
1 513 . 14 1 1 A 45 45 SER CA C 83 53.800 56.924 -3.124 1
1 514 . 14 1 1 A 45 45 SER CB C 83 60.320 63.941 -3.621 1
1 515 . 14 1 1 A 45 45 SER N N 83 123.400 121.338 2.062 1
1 516 . 14 1 1 A 46 46 ILE H H 84 8.990 8.859 0.131 1
1 517 . 14 1 1 A 46 46 ILE HA H 84 3.880 5.035 -1.155 1
1 527 . 14 1 1 A 46 46 ILE C C 84 177.600 175.311 2.289 1
1 528 . 14 1 1 A 46 46 ILE CA C 84 55.490 57.016 -1.526 1
1 529 . 14 1 1 A 46 46 ILE CB C 84 34.850 40.666 -5.816 1
1 533 . 14 1 1 A 46 46 ILE N N 84 127.800 123.504 4.296 1
1 534 . 14 1 1 A 47 47 PRO HA H 85 3.840 4.765 -0.925 1
1 541 . 14 1 1 A 47 47 PRO C C 85 172.918 177.141 -4.223 1
1 542 . 14 1 1 A 47 47 PRO CA C 85 61.880 62.203 -0.323 1
1 543 . 14 1 1 A 47 47 PRO CB C 85 34.920 33.203 1.717 1
1 546 . 14 1 1 A 48 48 SER H H 86 7.780 8.770 -0.990 1
1 547 . 14 1 1 A 48 48 SER C C 86 174.554 176.975 -2.421 1
1 548 . 14 1 1 A 49 49 GLY H H 87 8.230 8.381 -0.151 1
1 549 . 14 1 1 A 49 49 GLY HA2 H 87 4.300 3.729 0.571 1
1 550 . 14 1 1 A 49 49 GLY HA3 H 87 3.950 3.763 0.187 1
1 551 . 14 1 1 A 49 49 GLY C C 87 173.507 176.253 -2.746 1
1 552 . 14 1 1 A 49 49 GLY CA C 87 44.600 47.498 -2.898 1
1 553 . 14 1 1 A 49 49 GLY N N 87 105.900 108.689 -2.789 1
1 554 . 14 1 1 A 50 50 VAL H H 88 6.855 8.265 -1.410 1
1 555 . 14 1 1 A 50 50 VAL HA H 88 3.510 3.872 -0.362 1
1 563 . 14 1 1 A 50 50 VAL C C 88 174.450 178.076 -3.626 1
1 564 . 14 1 1 A 50 50 VAL CA C 88 62.420 65.747 -3.327 1
1 565 . 14 1 1 A 50 50 VAL CB C 88 28.000 30.984 -2.984 1
1 568 . 14 1 1 A 50 50 VAL N N 88 119.950 119.258 0.692 1
1 569 . 14 1 1 A 51 51 LEU H H 89 7.360 7.733 -0.373 1
1 570 . 14 1 1 A 51 51 LEU HA H 89 3.570 4.078 -0.508 1
1 580 . 14 1 1 A 51 51 LEU C C 89 175.078 178.275 -3.197 1
1 581 . 14 1 1 A 51 51 LEU CA C 89 55.490 58.077 -2.587 1
1 582 . 14 1 1 A 51 51 LEU CB C 89 37.320 41.606 -4.286 1
1 586 . 14 1 1 A 51 51 LEU N N 89 122.100 123.852 -1.752 1
1 587 . 14 1 1 A 52 52 ILE H H 90 7.770 7.662 0.108 1
1 588 . 14 1 1 A 52 52 ILE HA H 90 3.600 3.858 -0.258 1
1 598 . 14 1 1 A 52 52 ILE C C 90 175.000 178.079 -3.079 1
1 599 . 14 1 1 A 52 52 ILE CA C 90 62.720 64.447 -1.727 1
1 600 . 14 1 1 A 52 52 ILE CB C 90 34.510 37.269 -2.759 1
1 604 . 14 1 1 A 52 52 ILE N N 90 117.460 115.736 1.724 1
1 605 . 14 1 1 A 53 53 PHE H H 91 7.400 8.047 -0.647 1
1 606 . 14 1 1 A 53 53 PHE HA H 91 3.900 4.210 -0.310 1
1 613 . 14 1 1 A 53 53 PHE C C 91 172.073 176.930 -4.857 1
1 614 . 14 1 1 A 53 53 PHE CA C 91 59.340 61.349 -2.009 1
1 615 . 14 1 1 A 53 53 PHE CB C 91 35.540 38.957 -3.417 1
1 616 . 14 1 1 A 53 53 PHE N N 91 119.280 124.496 -5.216 1
1 617 . 14 1 1 A 54 54 VAL H H 92 8.450 7.941 0.509 1
1 618 . 14 1 1 A 54 54 VAL HA H 92 2.850 3.428 -0.578 1
1 626 . 14 1 1 A 54 54 VAL C C 92 174.300 177.669 -3.369 1
1 627 . 14 1 1 A 54 54 VAL CA C 92 63.860 65.236 -1.376 1
1 628 . 14 1 1 A 54 54 VAL CB C 92 28.570 30.989 -2.419 1
1 631 . 14 1 1 A 54 54 VAL N N 92 119.170 118.268 0.902 1
1 632 . 14 1 1 A 55 55 ALA H H 93 8.615 7.939 0.676 1
1 633 . 14 1 1 A 55 55 ALA HA H 93 3.750 3.908 -0.158 1
1 637 . 14 1 1 A 55 55 ALA C C 93 176.294 179.870 -3.576 1
1 638 . 14 1 1 A 55 55 ALA CA C 93 52.800 55.654 -2.854 1
1 639 . 14 1 1 A 55 55 ALA CB C 93 16.050 18.254 -2.204 1
1 640 . 14 1 1 A 55 55 ALA N N 93 120.170 123.566 -3.396 1
1 641 . 14 1 1 A 56 56 LYS H H 94 8.548 7.845 0.703 1
1 642 . 14 1 1 A 56 56 LYS HA H 94 3.980 4.119 -0.139 1
1 649 . 14 1 1 A 56 56 LYS C C 94 177.600 179.410 -1.810 1
1 650 . 14 1 1 A 56 56 LYS CA C 94 55.800 59.085 -3.285 1
1 651 . 14 1 1 A 56 56 LYS CB C 94 29.500 31.825 -2.325 1
1 654 . 14 1 1 A 56 56 LYS N N 94 115.200 117.085 -1.885 1
1 655 . 14 1 1 A 57 57 ALA H H 95 8.840 7.793 1.047 1
1 656 . 14 1 1 A 57 57 ALA HA H 95 3.940 4.130 -0.190 1
1 660 . 14 1 1 A 57 57 ALA C C 95 175.754 180.081 -4.327 1
1 661 . 14 1 1 A 57 57 ALA CA C 95 52.670 54.911 -2.241 1
1 662 . 14 1 1 A 57 57 ALA CB C 95 16.070 17.650 -1.580 1
1 663 . 14 1 1 A 57 57 ALA N N 95 124.210 122.364 1.846 1
1 664 . 14 1 1 A 58 58 ALA H H 96 8.816 7.365 1.451 1
1 665 . 14 1 1 A 58 58 ALA HA H 96 4.043 4.103 -0.060 1
1 669 . 14 1 1 A 58 58 ALA C C 96 177.600 179.864 -2.264 1
1 670 . 14 1 1 A 58 58 ALA CA C 96 52.770 54.683 -1.913 1
1 671 . 14 1 1 A 58 58 ALA CB C 96 13.560 18.416 -4.856 1
1 672 . 14 1 1 A 58 58 ALA N N 96 120.500 120.287 0.213 1
1 673 . 14 1 1 A 59 59 GLN H H 97 8.490 7.862 0.628 1
1 674 . 14 1 1 A 59 59 GLN HA H 97 3.960 4.010 -0.050 1
1 681 . 14 1 1 A 59 59 GLN C C 97 175.100 178.221 -3.121 1
1 682 . 14 1 1 A 59 59 GLN CA C 97 56.370 58.876 -2.506 1
1 683 . 14 1 1 A 59 59 GLN CB C 97 26.500 28.183 -1.683 1
1 684 . 14 1 1 A 59 59 GLN N N 97 118.750 119.060 -0.310 1
1 686 . 14 1 1 A 60 60 PHE H H 98 8.020 7.931 0.089 1
1 687 . 14 1 1 A 60 60 PHE HA H 98 4.120 4.245 -0.125 1
1 694 . 14 1 1 A 60 60 PHE C C 98 174.780 177.077 -2.297 1
1 695 . 14 1 1 A 60 60 PHE CA C 98 58.650 61.447 -2.797 1
1 696 . 14 1 1 A 60 60 PHE CB C 98 35.240 39.204 -3.964 1
1 697 . 14 1 1 A 60 60 PHE N N 98 122.380 120.658 1.722 1
1 698 . 14 1 1 A 61 61 TYR H H 99 7.900 8.147 -0.247 1
1 699 . 14 1 1 A 61 61 TYR HA H 99 3.900 4.268 -0.368 1
1 704 . 14 1 1 A 61 61 TYR C C 99 175.494 178.165 -2.671 1
1 705 . 14 1 1 A 61 61 TYR CA C 99 60.600 61.698 -1.098 1
1 706 . 14 1 1 A 61 61 TYR CB C 99 36.120 38.440 -2.320 1
1 707 . 14 1 1 A 61 61 TYR N N 99 118.100 119.839 -1.739 1
1 708 . 14 1 1 A 62 62 MET H H 100 8.170 8.513 -0.343 1
1 709 . 14 1 1 A 62 62 MET HA H 100 3.810 4.348 -0.538 1
1 717 . 14 1 1 A 62 62 MET C C 100 175.130 177.864 -2.734 1
1 718 . 14 1 1 A 62 62 MET CA C 100 56.270 58.088 -1.818 1
1 719 . 14 1 1 A 62 62 MET CB C 100 31.260 32.304 -1.044 1
1 722 . 14 1 1 A 62 62 MET N N 100 118.350 118.915 -0.565 1
1 723 . 14 1 1 A 63 63 THR H H 101 7.720 7.908 -0.188 1
1 724 . 14 1 1 A 63 63 THR HA H 101 4.120 4.131 -0.011 1
1 729 . 14 1 1 A 63 63 THR C C 101 172.265 176.331 -4.066 1
1 730 . 14 1 1 A 63 63 THR CA C 101 60.060 64.866 -4.806 1
1 731 . 14 1 1 A 63 63 THR CB C 101 66.880 69.123 -2.243 1
1 733 . 14 1 1 A 63 63 THR N N 101 110.720 112.952 -2.232 1
1 734 . 14 1 1 A 64 64 ASN H H 102 7.620 7.773 -0.153 1
1 735 . 14 1 1 A 64 64 ASN HA H 102 4.541 4.271 0.270 1
1 740 . 14 1 1 A 64 64 ASN C C 102 172.591 177.211 -4.620 1
1 741 . 14 1 1 A 64 64 ASN CA C 102 51.480 56.763 -5.283 1
1 742 . 14 1 1 A 64 64 ASN CB C 102 36.830 38.118 -1.288 1
1 743 . 14 1 1 A 64 64 ASN N N 102 114.000 119.620 -5.620 1
1 745 . 14 1 1 A 65 65 ALA H H 103 8.060 7.813 0.247 1
1 746 . 14 1 1 A 65 65 ALA HA H 103 4.183 4.392 -0.209 1
1 750 . 14 1 1 A 65 65 ALA C C 103 176.032 178.366 -2.334 1
1 751 . 14 1 1 A 65 65 ALA CA C 103 51.130 52.396 -1.266 1
1 752 . 14 1 1 A 65 65 ALA CB C 103 16.230 20.879 -4.649 1
1 753 . 14 1 1 A 65 65 ALA N N 103 123.910 118.447 5.463 1
1 754 . 14 1 1 A 66 66 GLY H H 104 8.220 7.741 0.479 1
1 755 . 14 1 1 A 66 66 GLY HA2 H 104 3.883 3.915 -0.032 1
1 756 . 14 1 1 A 66 66 GLY C C 104 172.222 174.743 -2.521 1
1 757 . 14 1 1 A 66 66 GLY CA C 104 43.170 45.623 -2.453 1
1 758 . 14 1 1 A 66 66 GLY N N 104 106.420 106.044 0.376 1
1 759 . 14 1 1 A 67 67 LEU H H 105 7.890 7.809 0.081 1
1 760 . 14 1 1 A 67 67 LEU HA H 105 4.290 4.608 -0.318 1
1 770 . 14 1 1 A 67 67 LEU C C 105 175.406 176.853 -1.447 1
1 771 . 14 1 1 A 67 67 LEU CA C 105 53.110 55.480 -2.370 1
1 772 . 14 1 1 A 67 67 LEU CB C 105 39.740 43.145 -3.405 1
1 776 . 14 1 1 A 67 67 LEU N N 105 120.570 117.968 2.602 1
1 777 . 14 1 1 A 68 68 THR H H 106 7.940 7.891 0.049 1
1 778 . 14 1 1 A 68 68 THR HA H 106 4.330 4.594 -0.264 1
1 783 . 14 1 1 A 68 68 THR C C 106 172.806 175.893 -3.087 1
1 784 . 14 1 1 A 68 68 THR CA C 106 59.700 61.163 -1.463 1
1 785 . 14 1 1 A 68 68 THR CB C 106 67.140 69.525 -2.385 1
1 787 . 14 1 1 A 68 68 THR N N 106 111.750 113.419 -1.669 1
1 788 . 14 1 1 A 69 69 GLY H H 107 8.340 8.184 0.156 1
1 789 . 14 1 1 A 69 69 GLY HA2 H 107 3.940 3.989 -0.049 1
1 790 . 14 1 1 A 69 69 GLY C C 107 171.503 174.242 -2.739 1
1 791 . 14 1 1 A 69 69 GLY CA C 107 42.990 45.369 -2.379 1
1 792 . 14 1 1 A 69 69 GLY N N 107 110.910 111.844 -0.934 1
1 793 . 14 1 1 A 70 70 ARG H H 108 7.930 7.672 0.258 1
1 794 . 14 1 1 A 70 70 ARG HA H 108 4.355 4.777 -0.422 1
1 801 . 14 1 1 A 70 70 ARG C C 108 173.543 175.287 -1.744 1
1 802 . 14 1 1 A 70 70 ARG CA C 108 53.170 54.096 -0.926 1
1 803 . 14 1 1 A 70 70 ARG CB C 108 28.470 30.659 -2.189 1
1 806 . 14 1 1 A 70 70 ARG N N 108 119.900 119.914 -0.014 1
1 807 . 14 1 1 A 71 71 SER H H 109 8.400 8.508 -0.108 1
1 808 . 14 1 1 A 71 71 SER HA H 109 4.409 5.137 -0.728 1
1 811 . 14 1 1 A 71 71 SER C C 109 172.430 175.215 -2.785 1
1 812 . 14 1 1 A 71 71 SER CA C 109 55.630 57.021 -1.391 1
1 813 . 14 1 1 A 71 71 SER CB C 109 61.060 64.061 -3.001 1
1 814 . 14 1 1 A 71 71 SER N N 109 116.970 114.010 2.960 1
1 815 . 14 1 1 A 72 72 MET H H 110 8.590 9.698 -1.108 1
1 816 . 14 1 1 A 72 72 MET HA H 110 4.394 4.354 0.040 1
1 822 . 14 1 1 A 72 72 MET C C 110 173.487 175.961 -2.474 1
1 823 . 14 1 1 A 72 72 MET CA C 110 53.320 55.917 -2.597 1
1 824 . 14 1 1 A 72 72 MET CB C 110 29.300 32.303 -3.003 1
1 825 . 14 1 1 A 72 72 MET N N 110 122.250 124.159 -1.909 1
1 826 . 14 1 1 A 73 73 ASP H H 111 8.260 8.173 0.087 1
1 827 . 14 1 1 A 73 73 ASP HA H 111 4.514 4.578 -0.064 1
1 830 . 14 1 1 A 73 73 ASP C C 111 173.886 175.803 -1.917 1
1 831 . 14 1 1 A 73 73 ASP CA C 111 52.150 56.297 -4.147 1
1 832 . 14 1 1 A 73 73 ASP CB C 111 38.310 39.386 -1.076 1
1 833 . 14 1 1 A 73 73 ASP N N 111 119.420 118.766 0.654 1
1 834 . 14 1 1 A 74 74 THR H H 112 7.900 8.524 -0.624 1
1 835 . 14 1 1 A 74 74 THR HA H 112 4.142 4.449 -0.307 1
1 840 . 14 1 1 A 74 74 THR C C 112 172.029 174.178 -2.149 1
1 841 . 14 1 1 A 74 74 THR CA C 112 59.640 61.105 -1.465 1
1 842 . 14 1 1 A 74 74 THR CB C 112 66.820 68.188 -1.368 1
1 844 . 14 1 1 A 74 74 THR N N 112 112.950 117.528 -4.578 1
1 845 . 14 1 1 A 75 75 VAL H H 113 7.840 8.079 -0.239 1
1 846 . 14 1 1 A 75 75 VAL HA H 113 3.950 4.165 -0.215 1
1 854 . 14 1 1 A 75 75 VAL C C 113 173.067 175.457 -2.390 1
1 855 . 14 1 1 A 75 75 VAL CA C 113 60.070 61.849 -1.779 1
1 856 . 14 1 1 A 75 75 VAL CB C 113 29.740 31.527 -1.787 1
1 859 . 14 1 1 A 75 75 VAL N N 113 121.540 124.120 -2.580 1
1 860 . 14 1 1 A 76 76 SER H H 114 8.020 8.047 -0.027 1
1 861 . 14 1 1 A 76 76 SER HA H 114 3.974 4.105 -0.131 1
1 864 . 14 1 1 A 76 76 SER C C 114 171.259 173.192 -1.933 1
1 865 . 14 1 1 A 76 76 SER CA C 114 55.100 59.379 -4.279 1
1 866 . 14 1 1 A 76 76 SER CB C 114 61.160 61.456 -0.296 1
1 867 . 14 1 1 A 76 76 SER N N 114 117.830 115.785 2.045 1
1 868 . 14 1 1 A 77 77 TYR H H 115 7.770 8.213 -0.443 1
1 869 . 14 1 1 A 77 77 TYR HA H 115 4.240 3.867 0.373 1
1 874 . 14 1 1 A 77 77 TYR C C 115 172.865 176.770 -3.905 1
1 875 . 14 1 1 A 77 77 TYR CA C 115 55.100 58.074 -2.974 1
1 876 . 14 1 1 A 77 77 TYR CB C 115 36.110 36.648 -0.538 1
1 877 . 14 1 1 A 77 77 TYR N N 115 121.280 114.548 6.732 1
1 878 . 14 1 1 A 78 78 ASN HA H 116 4.790 4.294 0.496 1
1 883 . 14 1 1 A 78 78 ASN C C 116 172.080 175.469 -3.389 1
1 884 . 14 1 1 A 78 78 ASN CA C 116 48.910 54.321 -5.411 1
1 885 . 14 1 1 A 78 78 ASN CB C 116 35.500 37.172 -1.672 1
1 886 . 14 1 1 A 78 78 ASN N N 116 112.900 120.974 -8.074 1
1 887 . 14 1 1 A 79 79 PHE H H 117 7.410 7.334 0.076 1
1 888 . 14 1 1 A 79 79 PHE HA H 117 4.440 4.101 0.339 1
1 895 . 14 1 1 A 79 79 PHE C C 117 174.370 177.615 -3.245 1
1 896 . 14 1 1 A 79 79 PHE CA C 117 56.890 61.046 -4.156 1
1 897 . 14 1 1 A 79 79 PHE CB C 117 34.540 37.930 -3.390 1
1 898 . 14 1 1 A 79 79 PHE N N 117 121.190 119.462 1.728 1
1 899 . 14 1 1 A 80 80 ALA H H 118 8.560 7.706 0.854 1
1 900 . 14 1 1 A 80 80 ALA HA H 118 4.140 3.816 0.324 1
1 904 . 14 1 1 A 80 80 ALA C C 118 176.482 177.752 -1.270 1
1 905 . 14 1 1 A 80 80 ALA CA C 118 52.430 54.343 -1.913 1
1 906 . 14 1 1 A 80 80 ALA CB C 118 16.160 18.288 -2.128 1
1 907 . 14 1 1 A 80 80 ALA N N 118 115.100 121.539 -6.439 1
1 908 . 14 1 1 A 81 81 THR H H 119 7.330 8.154 -0.824 1
1 909 . 14 1 1 A 81 81 THR HA H 119 4.450 4.570 -0.120 1
1 914 . 14 1 1 A 81 81 THR C C 119 172.909 173.449 -0.540 1
1 915 . 14 1 1 A 81 81 THR CA C 119 59.270 60.917 -1.647 1
1 916 . 14 1 1 A 81 81 THR CB C 119 66.770 69.841 -3.071 1
1 918 . 14 1 1 A 81 81 THR N N 119 104.710 112.035 -7.325 1
1 919 . 14 1 1 A 82 82 GLU H H 120 7.890 7.684 0.206 1
1 920 . 14 1 1 A 82 82 GLU HA H 120 4.260 4.535 -0.275 1
1 924 . 14 1 1 A 82 82 GLU C C 120 177.060 174.980 2.080 1
1 925 . 14 1 1 A 82 82 GLU CA C 120 54.740 54.984 -0.244 1
1 926 . 14 1 1 A 82 82 GLU N N 120 120.760 121.589 -0.829 1
1 927 . 14 1 1 A 83 83 ILE H H 121 7.630 7.023 0.607 1
1 928 . 14 1 1 A 83 83 ILE HA H 121 3.330 3.543 -0.213 1
1 938 . 14 1 1 A 83 83 ILE CA C 121 57.580 60.516 -2.936 1
1 939 . 14 1 1 A 83 83 ILE CB C 121 35.770 38.373 -2.603 1
1 943 . 14 1 1 A 83 83 ILE N N 121 118.900 122.300 -3.400 1
1 944 . 14 1 1 A 84 84 PRO HA H 122 4.200 4.657 -0.457 1
1 951 . 14 1 1 A 84 84 PRO CA C 122 60.510 62.401 -1.891 1
1 952 . 14 1 1 A 84 84 PRO CB C 122 27.260 31.746 -4.486 1
1 955 . 14 1 1 A 86 86 THR HA H 124 3.869 3.983 -0.114 1
1 960 . 14 1 1 A 86 86 THR C C 124 172.991 176.482 -3.491 1
1 961 . 14 1 1 A 86 86 THR CA C 124 61.980 66.351 -4.371 1
1 962 . 14 1 1 A 86 86 THR CB C 124 65.710 68.864 -3.154 1
1 964 . 14 1 1 A 87 87 ILE H H 125 7.340 8.036 -0.696 1
1 965 . 14 1 1 A 87 87 ILE HA H 125 3.920 3.770 0.150 1
1 975 . 14 1 1 A 87 87 ILE C C 125 175.375 178.017 -2.642 1
1 976 . 14 1 1 A 87 87 ILE CA C 125 61.900 64.451 -2.551 1
1 977 . 14 1 1 A 87 87 ILE CB C 125 35.690 37.239 -1.549 1
1 981 . 14 1 1 A 87 87 ILE N N 125 120.800 120.599 0.201 1
1 982 . 14 1 1 A 88 88 LEU HA H 126 4.070 3.721 0.349 1
1 992 . 14 1 1 A 88 88 LEU C C 126 177.060 178.545 -1.485 1
1 993 . 14 1 1 A 88 88 LEU CA C 126 55.950 57.779 -1.829 1
1 994 . 14 1 1 A 88 88 LEU CB C 126 39.710 41.811 -2.101 1
1 998 . 14 1 1 A 89 89 LYS H H 127 8.095 7.705 0.390 1
1 999 . 14 1 1 A 89 89 LYS HA H 127 4.030 3.910 0.120 1
1 1008 . 14 1 1 A 89 89 LYS C C 127 176.400 179.222 -2.822 1
1 1009 . 14 1 1 A 89 89 LYS CA C 127 56.010 59.651 -3.641 1
1 1010 . 14 1 1 A 89 89 LYS CB C 127 29.650 32.178 -2.528 1
1 1014 . 14 1 1 A 89 89 LYS N N 127 116.100 119.594 -3.494 1
1 1015 . 14 1 1 A 90 90 LYS H H 128 7.848 7.670 0.178 1
1 1016 . 14 1 1 A 90 90 LYS HA H 128 4.160 4.079 0.081 1
1 1019 . 14 1 1 A 90 90 LYS C C 128 174.859 179.293 -4.434 1
1 1020 . 14 1 1 A 90 90 LYS CA C 128 54.750 58.050 -3.300 1
1 1021 . 14 1 1 A 90 90 LYS CB C 128 29.280 32.361 -3.081 1
1 1022 . 14 1 1 A 90 90 LYS N N 128 119.230 119.185 0.045 1
1 1023 . 14 1 1 A 91 91 LEU H H 129 7.640 6.984 0.656 1
1 1024 . 14 1 1 A 91 91 LEU HA H 129 4.250 3.296 0.954 1
1 1034 . 14 1 1 A 91 91 LEU CA C 129 52.280 57.052 -4.772 1
1 1035 . 14 1 1 A 91 91 LEU CB C 129 39.000 40.972 -1.972 1
1 1039 . 14 1 1 A 91 91 LEU N N 129 112.650 121.443 -8.793 1
1 1040 . 14 1 1 A 92 92 ASN H H 130 7.560 7.641 -0.081 1
1 1041 . 14 1 1 A 92 92 ASN HA H 130 4.300 4.682 -0.382 1
1 1046 . 14 1 1 A 92 92 ASN C C 130 172.034 177.534 -5.500 1
1 1047 . 14 1 1 A 92 92 ASN CA C 130 55.070 56.971 -1.901 1
1 1048 . 14 1 1 A 92 92 ASN CB C 130 32.670 38.468 -5.798 1
1 1049 . 14 1 1 A 92 92 ASN N N 130 111.100 116.203 -5.103 1
1 1051 . 14 1 1 A 93 93 PRO HA H 131 4.220 4.355 -0.135 1
1 1058 . 14 1 1 A 93 93 PRO C C 131 173.540 178.227 -4.687 1
1 1059 . 14 1 1 A 93 93 PRO CA C 131 62.300 65.729 -3.429 1
1 1060 . 14 1 1 A 93 93 PRO CB C 131 28.140 30.642 -2.502 1
1 1062 . 14 1 1 A 94 94 TYR H H 132 7.630 8.634 -1.004 1
1 1063 . 14 1 1 A 94 94 TYR HA H 132 4.630 4.324 0.306 1
1 1068 . 14 1 1 A 94 94 TYR C C 132 172.700 177.271 -4.571 1
1 1069 . 14 1 1 A 94 94 TYR CA C 132 54.130 61.075 -6.945 1
1 1070 . 14 1 1 A 94 94 TYR CB C 132 36.500 37.681 -1.181 1
1 1071 . 14 1 1 A 94 94 TYR N N 132 114.100 116.650 -2.550 1
1 1072 . 14 1 1 A 95 95 ARG H H 133 7.250 5.285 1.965 1
1 1073 . 14 1 1 A 95 95 ARG HA H 133 4.290 4.229 0.061 1
1 1081 . 14 1 1 A 95 95 ARG C C 133 173.763 177.586 -3.823 1
1 1082 . 14 1 1 A 95 95 ARG CA C 133 54.740 56.729 -1.989 1
1 1083 . 14 1 1 A 95 95 ARG CB C 133 27.880 31.943 -4.063 1
1 1086 . 14 1 1 A 95 95 ARG N N 133 119.390 120.401 -1.011 1
1 1088 . 14 1 1 A 96 96 LYS H H 134 8.658 6.908 1.750 1
1 1089 . 14 1 1 A 96 96 LYS HA H 134 4.490 4.140 0.350 1
1 1098 . 14 1 1 A 96 96 LYS C C 134 173.560 176.391 -2.831 1
1 1099 . 14 1 1 A 96 96 LYS CA C 134 52.580 58.055 -5.475 1
1 1100 . 14 1 1 A 96 96 LYS CB C 134 30.590 33.456 -2.866 1
1 1104 . 14 1 1 A 96 96 LYS N N 134 125.000 118.762 6.238 1
1 1105 . 14 1 1 A 97 97 MET H H 135 8.330 8.056 0.274 1
1 1106 . 14 1 1 A 97 97 MET HA H 135 4.420 4.118 0.302 1
1 1114 . 14 1 1 A 97 97 MET C C 135 172.970 175.944 -2.974 1
1 1115 . 14 1 1 A 97 97 MET CA C 135 52.490 58.337 -5.847 1
1 1116 . 14 1 1 A 97 97 MET CB C 135 30.530 30.694 -0.164 1
1 1118 . 14 1 1 A 97 97 MET N N 135 120.890 117.012 3.878 1
1 1119 . 14 1 1 A 98 98 ALA H H 136 8.290 8.319 -0.029 1
1 1120 . 14 1 1 A 98 98 ALA HA H 136 4.180 3.935 0.245 1
1 1124 . 14 1 1 A 98 98 ALA C C 136 173.767 177.017 -3.250 1
1 1125 . 14 1 1 A 98 98 ALA CA C 136 49.750 55.100 -5.350 1
1 1126 . 14 1 1 A 98 98 ALA CB C 136 16.350 17.168 -0.818 1
1 1127 . 14 1 1 A 98 98 ALA N N 136 126.050 119.392 6.658 1
1 1 . 15 1 1 A 3 3 VAL HA H 41 3.360 3.761 -0.401 1
1 9 . 15 1 1 A 3 3 VAL CA C 41 64.070 66.137 -2.067 1
1 10 . 15 1 1 A 3 3 VAL CB C 41 28.620 31.451 -2.831 1
1 13 . 15 1 1 A 4 4 LYS H H 42 8.223 7.635 0.588 1
1 14 . 15 1 1 A 4 4 LYS HA H 42 3.610 4.024 -0.414 1
1 21 . 15 1 1 A 4 4 LYS C C 42 175.928 179.475 -3.547 1
1 22 . 15 1 1 A 4 4 LYS CA C 42 58.640 59.651 -1.011 1
1 23 . 15 1 1 A 4 4 LYS CB C 42 28.640 32.014 -3.374 1
1 25 . 15 1 1 A 4 4 LYS N N 42 118.080 121.568 -3.488 1
1 26 . 15 1 1 A 5 5 ARG H H 43 7.920 7.900 0.020 1
1 27 . 15 1 1 A 5 5 ARG HA H 43 4.060 4.041 0.019 1
1 34 . 15 1 1 A 5 5 ARG C C 43 177.798 178.908 -1.110 1
1 35 . 15 1 1 A 5 5 ARG CA C 43 56.640 58.544 -1.904 1
1 36 . 15 1 1 A 5 5 ARG CB C 43 27.200 30.140 -2.940 1
1 38 . 15 1 1 A 5 5 ARG N N 43 117.720 119.855 -2.135 1
1 39 . 15 1 1 A 6 6 LEU H H 44 7.660 7.951 -0.291 1
1 40 . 15 1 1 A 6 6 LEU HA H 44 4.100 4.100 0.000 1
1 50 . 15 1 1 A 6 6 LEU C C 44 176.114 178.573 -2.459 1
1 51 . 15 1 1 A 6 6 LEU CA C 44 55.100 57.581 -2.481 1
1 52 . 15 1 1 A 6 6 LEU CB C 44 39.570 41.882 -2.312 1
1 56 . 15 1 1 A 6 6 LEU N N 44 121.040 119.841 1.199 1
1 57 . 15 1 1 A 7 7 LEU H H 45 7.520 7.775 -0.255 1
1 58 . 15 1 1 A 7 7 LEU HA H 45 4.350 4.485 -0.135 1
1 68 . 15 1 1 A 7 7 LEU C C 45 172.937 178.724 -5.787 1
1 69 . 15 1 1 A 7 7 LEU CA C 45 51.480 55.037 -3.557 1
1 70 . 15 1 1 A 7 7 LEU CB C 45 40.300 43.117 -2.817 1
1 74 . 15 1 1 A 7 7 LEU N N 45 116.660 114.060 2.600 1
1 75 . 15 1 1 A 8 8 SER H H 46 7.840 8.791 -0.951 1
1 76 . 15 1 1 A 8 8 SER HA H 46 3.960 4.257 -0.297 1
1 79 . 15 1 1 A 8 8 SER CA C 46 56.360 60.489 -4.129 1
1 80 . 15 1 1 A 8 8 SER CB C 46 58.870 62.993 -4.123 1
1 81 . 15 1 1 A 8 8 SER N N 46 113.750 114.968 -1.218 1
1 82 . 15 1 1 A 9 9 ILE H H 47 8.290 7.410 0.880 1
1 83 . 15 1 1 A 9 9 ILE HA H 47 4.230 4.409 -0.179 1
1 93 . 15 1 1 A 9 9 ILE C C 47 174.540 175.843 -1.303 1
1 94 . 15 1 1 A 9 9 ILE CA C 47 58.680 61.776 -3.096 1
1 95 . 15 1 1 A 9 9 ILE CB C 47 36.912 38.654 -1.742 1
1 99 . 15 1 1 A 9 9 ILE N N 47 119.850 113.305 6.545 1
1 100 . 15 1 1 A 10 10 THR H H 48 8.760 8.005 0.755 1
1 101 . 15 1 1 A 10 10 THR HA H 48 4.465 4.350 0.115 1
1 106 . 15 1 1 A 10 10 THR C C 48 171.266 173.530 -2.264 1
1 107 . 15 1 1 A 10 10 THR CA C 48 58.390 61.437 -3.047 1
1 108 . 15 1 1 A 10 10 THR CB C 48 66.310 68.058 -1.748 1
1 110 . 15 1 1 A 10 10 THR N N 48 117.590 114.993 2.597 1
1 111 . 15 1 1 A 11 11 ASN H H 49 7.360 8.249 -0.889 1
1 112 . 15 1 1 A 11 11 ASN HA H 49 4.909 4.889 0.020 1
1 117 . 15 1 1 A 11 11 ASN C C 49 172.506 174.929 -2.423 1
1 118 . 15 1 1 A 11 11 ASN CA C 49 49.430 54.043 -4.613 1
1 119 . 15 1 1 A 11 11 ASN CB C 49 37.420 40.611 -3.191 1
1 120 . 15 1 1 A 11 11 ASN N N 49 113.560 119.265 -5.705 1
1 122 . 15 1 1 A 12 12 ASP H H 50 8.256 8.376 -0.120 1
1 123 . 15 1 1 A 12 12 ASP HA H 50 4.650 4.487 0.163 1
1 126 . 15 1 1 A 12 12 ASP C C 50 176.400 177.423 -1.023 1
1 127 . 15 1 1 A 12 12 ASP CA C 50 51.210 53.670 -2.460 1
1 128 . 15 1 1 A 12 12 ASP CB C 50 38.080 41.268 -3.188 1
1 129 . 15 1 1 A 12 12 ASP N N 50 117.210 119.639 -2.429 1
1 130 . 15 1 1 A 13 13 LYS H H 51 7.895 8.706 -0.811 1
1 131 . 15 1 1 A 13 13 LYS HA H 51 3.840 4.132 -0.292 1
1 140 . 15 1 1 A 13 13 LYS C C 51 174.700 177.879 -3.179 1
1 141 . 15 1 1 A 13 13 LYS CA C 51 56.320 58.146 -1.826 1
1 142 . 15 1 1 A 13 13 LYS CB C 51 29.760 32.479 -2.719 1
1 146 . 15 1 1 A 13 13 LYS N N 51 120.500 123.598 -3.098 1
1 147 . 15 1 1 A 14 14 HIS H H 52 9.000 7.649 1.351 1
1 148 . 15 1 1 A 14 14 HIS HA H 52 5.120 4.882 0.238 1
1 152 . 15 1 1 A 14 14 HIS C C 52 173.200 175.463 -2.263 1
1 153 . 15 1 1 A 14 14 HIS CA C 52 52.370 55.316 -2.946 1
1 154 . 15 1 1 A 14 14 HIS CB C 52 27.520 30.159 -2.639 1
1 155 . 15 1 1 A 14 14 HIS N N 52 116.200 116.158 0.042 1
1 156 . 15 1 1 A 15 15 ASP H H 53 7.640 8.534 -0.894 1
1 157 . 15 1 1 A 15 15 ASP HA H 53 4.120 4.145 -0.025 1
1 160 . 15 1 1 A 15 15 ASP C C 53 176.183 178.539 -2.356 1
1 161 . 15 1 1 A 15 15 ASP CA C 53 56.060 56.941 -0.881 1
1 162 . 15 1 1 A 15 15 ASP CB C 53 36.350 39.900 -3.550 1
1 163 . 15 1 1 A 15 15 ASP N N 53 122.780 120.676 2.104 1
1 164 . 15 1 1 A 16 16 GLU H H 54 8.890 8.566 0.324 1
1 165 . 15 1 1 A 16 16 GLU HA H 54 4.020 4.096 -0.076 1
1 170 . 15 1 1 A 16 16 GLU CA C 54 57.770 59.338 -1.568 1
1 171 . 15 1 1 A 16 16 GLU CB C 54 26.330 29.168 -2.838 1
1 173 . 15 1 1 A 16 16 GLU N N 54 122.770 118.885 3.885 1
1 174 . 15 1 1 A 17 17 TYR H H 55 8.130 8.368 -0.238 1
1 175 . 15 1 1 A 17 17 TYR HA H 55 4.390 4.156 0.234 1
1 180 . 15 1 1 A 17 17 TYR C C 55 175.213 177.348 -2.135 1
1 181 . 15 1 1 A 17 17 TYR CA C 55 58.150 61.218 -3.068 1
1 182 . 15 1 1 A 17 17 TYR CB C 55 36.000 38.580 -2.580 1
1 185 . 15 1 1 A 17 17 TYR N N 55 121.000 121.368 -0.368 1
1 186 . 15 1 1 A 18 18 LEU H H 56 8.740 9.049 -0.309 1
1 187 . 15 1 1 A 18 18 LEU HA H 56 3.710 3.651 0.059 1
1 197 . 15 1 1 A 18 18 LEU C C 56 175.500 179.179 -3.679 1
1 198 . 15 1 1 A 18 18 LEU CA C 56 55.470 58.142 -2.672 1
1 199 . 15 1 1 A 18 18 LEU CB C 56 39.920 42.164 -2.244 1
1 203 . 15 1 1 A 18 18 LEU N N 56 118.100 120.799 -2.699 1
1 204 . 15 1 1 A 19 19 THR H H 57 8.420 8.245 0.175 1
1 205 . 15 1 1 A 19 19 THR HA H 57 3.820 4.061 -0.241 1
1 210 . 15 1 1 A 19 19 THR C C 57 172.234 177.343 -5.109 1
1 211 . 15 1 1 A 19 19 THR CA C 57 64.220 65.472 -1.252 1
1 212 . 15 1 1 A 19 19 THR CB C 57 66.050 68.334 -2.284 1
1 214 . 15 1 1 A 19 19 THR N N 57 114.940 111.289 3.651 1
1 215 . 15 1 1 A 20 20 GLU H H 58 7.087 7.712 -0.625 1
1 216 . 15 1 1 A 20 20 GLU HA H 58 4.320 4.095 0.225 1
1 221 . 15 1 1 A 20 20 GLU C C 58 175.554 178.894 -3.340 1
1 222 . 15 1 1 A 20 20 GLU CA C 58 55.170 58.888 -3.718 1
1 223 . 15 1 1 A 20 20 GLU CB C 58 27.920 29.838 -1.918 1
1 225 . 15 1 1 A 20 20 GLU N N 58 117.800 122.154 -4.354 1
1 226 . 15 1 1 A 21 21 MET H H 59 8.320 7.875 0.445 1
1 227 . 15 1 1 A 21 21 MET HA H 59 4.330 3.341 0.989 1
1 235 . 15 1 1 A 21 21 MET C C 59 175.330 177.968 -2.638 1
1 236 . 15 1 1 A 21 21 MET CA C 59 54.270 58.142 -3.872 1
1 237 . 15 1 1 A 21 21 MET CB C 59 30.620 32.278 -1.658 1
1 240 . 15 1 1 A 21 21 MET N N 59 116.300 119.495 -3.195 1
1 241 . 15 1 1 A 22 22 VAL H H 60 8.800 7.589 1.211 1
1 242 . 15 1 1 A 22 22 VAL HA H 60 3.630 3.736 -0.106 1
1 250 . 15 1 1 A 22 22 VAL C C 60 172.042 174.296 -2.254 1
1 251 . 15 1 1 A 22 22 VAL CA C 60 66.980 66.586 0.394 1
1 252 . 15 1 1 A 22 22 VAL CB C 60 26.120 30.634 -4.514 1
1 255 . 15 1 1 A 22 22 VAL N N 60 117.600 118.246 -0.646 1
1 256 . 15 1 1 A 23 23 PRO HA H 61 4.270 4.386 -0.116 1
1 263 . 15 1 1 A 23 23 PRO C C 61 177.110 179.085 -1.975 1
1 264 . 15 1 1 A 23 23 PRO CA C 61 63.460 65.390 -1.930 1
1 265 . 15 1 1 A 23 23 PRO CB C 61 28.400 31.298 -2.898 1
1 267 . 15 1 1 A 24 24 LEU H H 62 6.700 7.048 -0.348 1
1 268 . 15 1 1 A 24 24 LEU HA H 62 4.250 3.918 0.332 1
1 278 . 15 1 1 A 24 24 LEU C C 62 177.872 178.883 -1.011 1
1 279 . 15 1 1 A 24 24 LEU CA C 62 55.130 57.734 -2.604 1
1 280 . 15 1 1 A 24 24 LEU CB C 62 39.440 41.435 -1.995 1
1 284 . 15 1 1 A 24 24 LEU N N 62 115.750 117.477 -1.727 1
1 285 . 15 1 1 A 25 25 LEU H H 63 8.190 7.716 0.474 1
1 286 . 15 1 1 A 25 25 LEU HA H 63 3.920 4.009 -0.089 1
1 296 . 15 1 1 A 25 25 LEU C C 63 176.367 178.358 -1.991 1
1 297 . 15 1 1 A 25 25 LEU CA C 63 54.950 58.359 -3.409 1
1 298 . 15 1 1 A 25 25 LEU CB C 63 41.090 42.022 -0.932 1
1 302 . 15 1 1 A 25 25 LEU N N 63 121.800 120.288 1.512 1
1 303 . 15 1 1 A 26 26 VAL H H 64 8.590 8.704 -0.114 1
1 304 . 15 1 1 A 26 26 VAL HA H 64 3.480 3.849 -0.369 1
1 312 . 15 1 1 A 26 26 VAL C C 64 174.801 178.178 -3.377 1
1 313 . 15 1 1 A 26 26 VAL CA C 64 64.860 66.297 -1.437 1
1 314 . 15 1 1 A 26 26 VAL CB C 64 28.900 31.502 -2.602 1
1 317 . 15 1 1 A 26 26 VAL N N 64 120.990 119.187 1.803 1
1 318 . 15 1 1 A 27 27 GLU H H 65 8.090 8.317 -0.227 1
1 319 . 15 1 1 A 27 27 GLU HA H 65 3.970 3.622 0.348 1
1 324 . 15 1 1 A 27 27 GLU C C 65 176.169 178.563 -2.394 1
1 325 . 15 1 1 A 27 27 GLU CA C 65 56.990 58.986 -1.996 1
1 326 . 15 1 1 A 27 27 GLU CB C 65 26.540 28.912 -2.372 1
1 328 . 15 1 1 A 27 27 GLU N N 65 118.990 121.350 -2.360 1
1 329 . 15 1 1 A 28 28 PHE H H 66 8.075 7.993 0.082 1
1 330 . 15 1 1 A 28 28 PHE HA H 66 4.570 4.160 0.410 1
1 337 . 15 1 1 A 28 28 PHE C C 66 173.482 177.538 -4.056 1
1 338 . 15 1 1 A 28 28 PHE CA C 66 58.390 61.583 -3.193 1
1 339 . 15 1 1 A 28 28 PHE CB C 66 36.680 39.124 -2.444 1
1 340 . 15 1 1 A 28 28 PHE N N 66 119.000 120.822 -1.822 1
1 341 . 15 1 1 A 29 29 ALA H H 67 8.420 8.251 0.169 1
1 342 . 15 1 1 A 29 29 ALA HA H 67 3.500 3.780 -0.280 1
1 346 . 15 1 1 A 29 29 ALA C C 67 176.624 179.737 -3.113 1
1 347 . 15 1 1 A 29 29 ALA CA C 67 52.800 55.122 -2.322 1
1 348 . 15 1 1 A 29 29 ALA CB C 67 15.290 18.239 -2.949 1
1 349 . 15 1 1 A 29 29 ALA N N 67 121.810 121.248 0.562 1
1 350 . 15 1 1 A 30 30 LYS H H 68 8.227 8.096 0.131 1
1 351 . 15 1 1 A 30 30 LYS HA H 68 4.090 3.743 0.347 1
1 360 . 15 1 1 A 30 30 LYS C C 68 177.400 178.461 -1.061 1
1 361 . 15 1 1 A 30 30 LYS CA C 68 56.700 58.714 -2.014 1
1 362 . 15 1 1 A 30 30 LYS CB C 68 31.230 31.310 -0.080 1
1 366 . 15 1 1 A 30 30 LYS N N 68 117.500 118.348 -0.848 1
1 367 . 15 1 1 A 31 31 ASP H H 69 7.820 7.652 0.168 1
1 368 . 15 1 1 A 31 31 ASP HA H 69 4.210 4.558 -0.348 1
1 371 . 15 1 1 A 31 31 ASP C C 69 176.438 178.083 -1.645 1
1 372 . 15 1 1 A 31 31 ASP CA C 69 54.310 56.661 -2.351 1
1 373 . 15 1 1 A 31 31 ASP CB C 69 38.320 41.356 -3.036 1
1 374 . 15 1 1 A 31 31 ASP N N 69 120.370 119.414 0.956 1
1 375 . 15 1 1 A 32 32 GLU H H 70 8.840 7.959 0.881 1
1 376 . 15 1 1 A 32 32 GLU HA H 70 3.730 3.963 -0.233 1
1 381 . 15 1 1 A 32 32 GLU C C 70 176.119 177.848 -1.729 1
1 382 . 15 1 1 A 32 32 GLU CA C 70 55.270 59.431 -4.161 1
1 383 . 15 1 1 A 32 32 GLU CB C 70 26.810 29.327 -2.517 1
1 385 . 15 1 1 A 32 32 GLU N N 70 120.750 117.695 3.055 1
1 386 . 15 1 1 A 33 33 CYS H H 71 7.960 7.743 0.217 1
1 387 . 15 1 1 A 33 33 CYS HA H 71 4.070 4.451 -0.381 1
1 390 . 15 1 1 A 33 33 CYS C C 71 170.993 174.325 -3.332 1
1 391 . 15 1 1 A 33 33 CYS CA C 71 58.160 58.319 -0.159 1
1 392 . 15 1 1 A 33 33 CYS CB C 71 26.000 27.896 -1.896 1
1 393 . 15 1 1 A 33 33 CYS N N 71 111.530 116.307 -4.777 1
1 394 . 15 1 1 A 34 34 HIS H H 72 7.560 8.180 -0.620 1
1 395 . 15 1 1 A 34 34 HIS HA H 72 4.040 4.227 -0.187 1
1 398 . 15 1 1 A 34 34 HIS C C 72 170.400 173.564 -3.164 1
1 399 . 15 1 1 A 34 34 HIS CA C 72 53.230 56.710 -3.480 1
1 400 . 15 1 1 A 34 34 HIS CB C 72 23.830 26.797 -2.967 1
1 401 . 15 1 1 A 34 34 HIS N N 72 118.100 117.704 0.396 1
1 402 . 15 1 1 A 35 35 ASN H H 73 7.590 7.557 0.033 1
1 403 . 15 1 1 A 35 35 ASN HA H 73 4.805 4.928 -0.123 1
1 408 . 15 1 1 A 35 35 ASN C C 73 170.429 174.761 -4.332 1
1 409 . 15 1 1 A 35 35 ASN CA C 73 46.130 50.802 -4.672 1
1 410 . 15 1 1 A 35 35 ASN CB C 73 39.580 39.606 -0.026 1
1 411 . 15 1 1 A 35 35 ASN N N 73 112.400 117.241 -4.841 1
1 413 . 15 1 1 A 36 36 PRO HA H 74 4.120 4.388 -0.268 1
1 420 . 15 1 1 A 36 36 PRO C C 74 173.450 176.534 -3.084 1
1 421 . 15 1 1 A 36 36 PRO CA C 74 59.950 62.418 -2.468 1
1 422 . 15 1 1 A 36 36 PRO CB C 74 29.200 29.086 0.114 1
1 425 . 15 1 1 A 37 37 PHE H H 75 8.057 7.451 0.606 1
1 426 . 15 1 1 A 37 37 PHE HA H 75 4.200 4.521 -0.321 1
1 432 . 15 1 1 A 37 37 PHE C C 75 171.107 174.494 -3.387 1
1 433 . 15 1 1 A 37 37 PHE CA C 75 55.120 57.390 -2.270 1
1 434 . 15 1 1 A 37 37 PHE CB C 75 33.760 38.872 -5.112 1
1 436 . 15 1 1 A 38 38 ILE H H 76 7.610 7.277 0.333 1
1 437 . 15 1 1 A 38 38 ILE HA H 76 4.870 4.908 -0.038 1
1 447 . 15 1 1 A 38 38 ILE C C 76 174.180 174.360 -0.180 1
1 448 . 15 1 1 A 38 38 ILE CA C 76 56.300 59.479 -3.179 1
1 449 . 15 1 1 A 38 38 ILE CB C 76 38.040 41.224 -3.184 1
1 453 . 15 1 1 A 38 38 ILE N N 76 113.800 120.501 -6.701 1
1 454 . 15 1 1 A 39 39 ASP H H 77 8.830 9.029 -0.199 1
1 455 . 15 1 1 A 39 39 ASP HA H 77 4.710 4.934 -0.224 1
1 458 . 15 1 1 A 39 39 ASP C C 77 175.969 177.426 -1.457 1
1 459 . 15 1 1 A 39 39 ASP CA C 77 49.800 52.853 -3.053 1
1 460 . 15 1 1 A 39 39 ASP CB C 77 39.180 43.615 -4.435 1
1 461 . 15 1 1 A 39 39 ASP N N 77 125.380 125.023 0.357 1
1 462 . 15 1 1 A 40 40 LYS H H 78 8.370 9.005 -0.635 1
1 463 . 15 1 1 A 40 40 LYS HA H 78 4.100 4.026 0.074 1
1 468 . 15 1 1 A 40 40 LYS C C 78 174.100 176.324 -2.224 1
1 469 . 15 1 1 A 40 40 LYS CA C 78 55.800 58.572 -2.772 1
1 470 . 15 1 1 A 40 40 LYS CB C 78 29.120 31.845 -2.725 1
1 471 . 15 1 1 A 40 40 LYS N N 78 116.800 121.360 -4.560 1
1 472 . 15 1 1 A 41 41 ASP H H 79 8.030 7.875 0.155 1
1 473 . 15 1 1 A 41 41 ASP HA H 79 4.810 4.753 0.057 1
1 476 . 15 1 1 A 41 41 ASP C C 79 173.360 176.674 -3.314 1
1 477 . 15 1 1 A 41 41 ASP CA C 79 51.650 53.726 -2.076 1
1 478 . 15 1 1 A 41 41 ASP CB C 79 39.570 41.535 -1.965 1
1 479 . 15 1 1 A 41 41 ASP N N 79 118.660 118.093 0.567 1
1 480 . 15 1 1 A 42 42 GLY H H 80 8.090 8.414 -0.324 1
1 481 . 15 1 1 A 42 42 GLY HA2 H 80 4.230 3.919 0.311 1
1 482 . 15 1 1 A 42 42 GLY HA3 H 80 3.490 3.928 -0.438 1
1 483 . 15 1 1 A 42 42 GLY C C 80 171.399 174.338 -2.939 1
1 484 . 15 1 1 A 42 42 GLY CA C 80 42.720 46.075 -3.355 1
1 485 . 15 1 1 A 42 42 GLY N N 80 107.750 109.471 -1.721 1
1 486 . 15 1 1 A 43 43 ASN H H 81 8.470 8.075 0.395 1
1 487 . 15 1 1 A 43 43 ASN HA H 81 4.815 5.065 -0.250 1
1 492 . 15 1 1 A 43 43 ASN C C 81 172.066 174.469 -2.403 1
1 493 . 15 1 1 A 43 43 ASN CA C 81 49.580 52.518 -2.938 1
1 494 . 15 1 1 A 43 43 ASN CB C 81 36.800 40.334 -3.534 1
1 495 . 15 1 1 A 43 43 ASN N N 81 117.600 118.554 -0.954 1
1 497 . 15 1 1 A 44 44 GLU H H 82 8.730 8.533 0.197 1
1 498 . 15 1 1 A 44 44 GLU HA H 82 4.370 4.777 -0.407 1
1 503 . 15 1 1 A 44 44 GLU C C 82 173.651 175.484 -1.833 1
1 504 . 15 1 1 A 44 44 GLU CA C 82 55.170 56.670 -1.500 1
1 505 . 15 1 1 A 44 44 GLU CB C 82 27.740 30.877 -3.137 1
1 507 . 15 1 1 A 44 44 GLU N N 82 123.400 121.797 1.603 1
1 508 . 15 1 1 A 45 45 SER H H 83 8.960 8.975 -0.015 1
1 509 . 15 1 1 A 45 45 SER HA H 83 4.510 5.501 -0.991 1
1 512 . 15 1 1 A 45 45 SER C C 83 170.100 172.972 -2.872 1
1 513 . 15 1 1 A 45 45 SER CA C 83 53.800 56.751 -2.951 1
1 514 . 15 1 1 A 45 45 SER CB C 83 60.320 66.695 -6.375 1
1 515 . 15 1 1 A 45 45 SER N N 83 123.400 119.647 3.753 1
1 516 . 15 1 1 A 46 46 ILE H H 84 8.990 9.247 -0.257 1
1 517 . 15 1 1 A 46 46 ILE HA H 84 3.880 4.829 -0.949 1
1 527 . 15 1 1 A 46 46 ILE C C 84 177.600 174.537 3.063 1
1 528 . 15 1 1 A 46 46 ILE CA C 84 55.490 57.945 -2.455 1
1 529 . 15 1 1 A 46 46 ILE CB C 84 34.850 41.219 -6.369 1
1 533 . 15 1 1 A 46 46 ILE N N 84 127.800 123.924 3.876 1
1 534 . 15 1 1 A 47 47 PRO HA H 85 3.840 4.746 -0.906 1
1 541 . 15 1 1 A 47 47 PRO C C 85 172.918 176.746 -3.828 1
1 542 . 15 1 1 A 47 47 PRO CA C 85 61.880 62.238 -0.358 1
1 543 . 15 1 1 A 47 47 PRO CB C 85 34.920 33.351 1.569 1
1 546 . 15 1 1 A 48 48 SER H H 86 7.780 8.741 -0.961 1
1 547 . 15 1 1 A 48 48 SER C C 86 174.554 176.970 -2.416 1
1 548 . 15 1 1 A 49 49 GLY H H 87 8.230 8.204 0.026 1
1 549 . 15 1 1 A 49 49 GLY HA2 H 87 4.300 3.757 0.543 1
1 550 . 15 1 1 A 49 49 GLY HA3 H 87 3.950 3.797 0.153 1
1 551 . 15 1 1 A 49 49 GLY C C 87 173.507 176.335 -2.828 1
1 552 . 15 1 1 A 49 49 GLY CA C 87 44.600 47.248 -2.648 1
1 553 . 15 1 1 A 49 49 GLY N N 87 105.900 109.729 -3.829 1
1 554 . 15 1 1 A 50 50 VAL H H 88 6.855 7.993 -1.138 1
1 555 . 15 1 1 A 50 50 VAL HA H 88 3.510 3.900 -0.390 1
1 563 . 15 1 1 A 50 50 VAL C C 88 174.450 178.327 -3.877 1
1 564 . 15 1 1 A 50 50 VAL CA C 88 62.420 66.074 -3.654 1
1 565 . 15 1 1 A 50 50 VAL CB C 88 28.000 31.508 -3.508 1
1 568 . 15 1 1 A 50 50 VAL N N 88 119.950 121.967 -2.017 1
1 569 . 15 1 1 A 51 51 LEU H H 89 7.360 7.689 -0.329 1
1 570 . 15 1 1 A 51 51 LEU HA H 89 3.570 4.157 -0.587 1
1 580 . 15 1 1 A 51 51 LEU C C 89 175.078 178.451 -3.373 1
1 581 . 15 1 1 A 51 51 LEU CA C 89 55.490 58.094 -2.604 1
1 582 . 15 1 1 A 51 51 LEU CB C 89 37.320 41.633 -4.313 1
1 586 . 15 1 1 A 51 51 LEU N N 89 122.100 121.993 0.107 1
1 587 . 15 1 1 A 52 52 ILE H H 90 7.770 8.099 -0.329 1
1 588 . 15 1 1 A 52 52 ILE HA H 90 3.600 3.873 -0.273 1
1 598 . 15 1 1 A 52 52 ILE C C 90 175.000 178.079 -3.079 1
1 599 . 15 1 1 A 52 52 ILE CA C 90 62.720 63.596 -0.876 1
1 600 . 15 1 1 A 52 52 ILE CB C 90 34.510 37.836 -3.326 1
1 604 . 15 1 1 A 52 52 ILE N N 90 117.460 119.434 -1.974 1
1 605 . 15 1 1 A 53 53 PHE H H 91 7.400 8.129 -0.729 1
1 606 . 15 1 1 A 53 53 PHE HA H 91 3.900 4.239 -0.339 1
1 613 . 15 1 1 A 53 53 PHE C C 91 172.073 177.014 -4.941 1
1 614 . 15 1 1 A 53 53 PHE CA C 91 59.340 61.366 -2.026 1
1 615 . 15 1 1 A 53 53 PHE CB C 91 35.540 38.972 -3.432 1
1 616 . 15 1 1 A 53 53 PHE N N 91 119.280 122.554 -3.274 1
1 617 . 15 1 1 A 54 54 VAL H H 92 8.450 8.409 0.041 1
1 618 . 15 1 1 A 54 54 VAL HA H 92 2.850 3.693 -0.843 1
1 626 . 15 1 1 A 54 54 VAL C C 92 174.300 177.998 -3.698 1
1 627 . 15 1 1 A 54 54 VAL CA C 92 63.860 65.427 -1.567 1
1 628 . 15 1 1 A 54 54 VAL CB C 92 28.570 31.073 -2.503 1
1 631 . 15 1 1 A 54 54 VAL N N 92 119.170 118.514 0.656 1
1 632 . 15 1 1 A 55 55 ALA H H 93 8.615 8.118 0.497 1
1 633 . 15 1 1 A 55 55 ALA HA H 93 3.750 4.008 -0.258 1
1 637 . 15 1 1 A 55 55 ALA C C 93 176.294 180.221 -3.927 1
1 638 . 15 1 1 A 55 55 ALA CA C 93 52.800 55.672 -2.872 1
1 639 . 15 1 1 A 55 55 ALA CB C 93 16.050 18.346 -2.296 1
1 640 . 15 1 1 A 55 55 ALA N N 93 120.170 123.680 -3.510 1
1 641 . 15 1 1 A 56 56 LYS H H 94 8.548 8.028 0.520 1
1 642 . 15 1 1 A 56 56 LYS HA H 94 3.980 4.063 -0.083 1
1 649 . 15 1 1 A 56 56 LYS C C 94 177.600 179.406 -1.806 1
1 650 . 15 1 1 A 56 56 LYS CA C 94 55.800 59.187 -3.387 1
1 651 . 15 1 1 A 56 56 LYS CB C 94 29.500 32.094 -2.594 1
1 654 . 15 1 1 A 56 56 LYS N N 94 115.200 117.312 -2.112 1
1 655 . 15 1 1 A 57 57 ALA H H 95 8.840 8.089 0.751 1
1 656 . 15 1 1 A 57 57 ALA HA H 95 3.940 4.052 -0.112 1
1 660 . 15 1 1 A 57 57 ALA C C 95 175.754 180.054 -4.300 1
1 661 . 15 1 1 A 57 57 ALA CA C 95 52.670 55.019 -2.349 1
1 662 . 15 1 1 A 57 57 ALA CB C 95 16.070 17.691 -1.621 1
1 663 . 15 1 1 A 57 57 ALA N N 95 124.210 122.643 1.567 1
1 664 . 15 1 1 A 58 58 ALA H H 96 8.816 7.543 1.273 1
1 665 . 15 1 1 A 58 58 ALA HA H 96 4.043 4.294 -0.251 1
1 669 . 15 1 1 A 58 58 ALA C C 96 177.600 180.092 -2.492 1
1 670 . 15 1 1 A 58 58 ALA CA C 96 52.770 54.874 -2.104 1
1 671 . 15 1 1 A 58 58 ALA CB C 96 13.560 18.357 -4.797 1
1 672 . 15 1 1 A 58 58 ALA N N 96 120.500 120.254 0.246 1
1 673 . 15 1 1 A 59 59 GLN H H 97 8.490 7.910 0.580 1
1 674 . 15 1 1 A 59 59 GLN HA H 97 3.960 4.018 -0.058 1
1 681 . 15 1 1 A 59 59 GLN C C 97 175.100 178.247 -3.147 1
1 682 . 15 1 1 A 59 59 GLN CA C 97 56.370 58.912 -2.542 1
1 683 . 15 1 1 A 59 59 GLN CB C 97 26.500 28.245 -1.745 1
1 684 . 15 1 1 A 59 59 GLN N N 97 118.750 119.124 -0.374 1
1 686 . 15 1 1 A 60 60 PHE H H 98 8.020 7.996 0.024 1
1 687 . 15 1 1 A 60 60 PHE HA H 98 4.120 4.260 -0.140 1
1 694 . 15 1 1 A 60 60 PHE C C 98 174.780 177.434 -2.654 1
1 695 . 15 1 1 A 60 60 PHE CA C 98 58.650 61.501 -2.851 1
1 696 . 15 1 1 A 60 60 PHE CB C 98 35.240 39.612 -4.372 1
1 697 . 15 1 1 A 60 60 PHE N N 98 122.380 120.548 1.832 1
1 698 . 15 1 1 A 61 61 TYR H H 99 7.900 8.574 -0.674 1
1 699 . 15 1 1 A 61 61 TYR HA H 99 3.900 4.505 -0.605 1
1 704 . 15 1 1 A 61 61 TYR C C 99 175.494 177.704 -2.210 1
1 705 . 15 1 1 A 61 61 TYR CA C 99 60.600 60.498 0.102 1
1 706 . 15 1 1 A 61 61 TYR CB C 99 36.120 37.704 -1.584 1
1 707 . 15 1 1 A 61 61 TYR N N 99 118.100 118.912 -0.812 1
1 708 . 15 1 1 A 62 62 MET H H 100 8.170 8.136 0.034 1
1 709 . 15 1 1 A 62 62 MET HA H 100 3.810 4.038 -0.228 1
1 717 . 15 1 1 A 62 62 MET C C 100 175.130 178.114 -2.984 1
1 718 . 15 1 1 A 62 62 MET CA C 100 56.270 58.209 -1.939 1
1 719 . 15 1 1 A 62 62 MET CB C 100 31.260 32.111 -0.851 1
1 722 . 15 1 1 A 62 62 MET N N 100 118.350 120.159 -1.809 1
1 723 . 15 1 1 A 63 63 THR H H 101 7.720 7.937 -0.217 1
1 724 . 15 1 1 A 63 63 THR HA H 101 4.120 4.109 0.011 1
1 729 . 15 1 1 A 63 63 THR C C 101 172.265 175.282 -3.017 1
1 730 . 15 1 1 A 63 63 THR CA C 101 60.060 65.571 -5.511 1
1 731 . 15 1 1 A 63 63 THR CB C 101 66.880 68.507 -1.627 1
1 733 . 15 1 1 A 63 63 THR N N 101 110.720 113.828 -3.108 1
1 734 . 15 1 1 A 64 64 ASN H H 102 7.620 8.153 -0.533 1
1 735 . 15 1 1 A 64 64 ASN HA H 102 4.541 4.719 -0.178 1
1 740 . 15 1 1 A 64 64 ASN C C 102 172.591 176.363 -3.772 1
1 741 . 15 1 1 A 64 64 ASN CA C 102 51.480 52.667 -1.187 1
1 742 . 15 1 1 A 64 64 ASN CB C 102 36.830 38.877 -2.047 1
1 743 . 15 1 1 A 64 64 ASN N N 102 114.000 119.353 -5.353 1
1 745 . 15 1 1 A 65 65 ALA H H 103 8.060 8.421 -0.361 1
1 746 . 15 1 1 A 65 65 ALA HA H 103 4.183 4.715 -0.532 1
1 750 . 15 1 1 A 65 65 ALA C C 103 176.032 178.393 -2.361 1
1 751 . 15 1 1 A 65 65 ALA CA C 103 51.130 51.773 -0.643 1
1 752 . 15 1 1 A 65 65 ALA CB C 103 16.230 19.323 -3.093 1
1 753 . 15 1 1 A 65 65 ALA N N 103 123.910 121.388 2.522 1
1 754 . 15 1 1 A 66 66 GLY H H 104 8.220 8.429 -0.209 1
1 755 . 15 1 1 A 66 66 GLY HA2 H 104 3.883 3.951 -0.068 1
1 756 . 15 1 1 A 66 66 GLY C C 104 172.222 175.288 -3.066 1
1 757 . 15 1 1 A 66 66 GLY CA C 104 43.170 45.863 -2.693 1
1 758 . 15 1 1 A 66 66 GLY N N 104 106.420 107.793 -1.373 1
1 759 . 15 1 1 A 67 67 LEU H H 105 7.890 7.629 0.261 1
1 760 . 15 1 1 A 67 67 LEU HA H 105 4.290 4.615 -0.325 1
1 770 . 15 1 1 A 67 67 LEU C C 105 175.406 178.133 -2.727 1
1 771 . 15 1 1 A 67 67 LEU CA C 105 53.110 55.467 -2.357 1
1 772 . 15 1 1 A 67 67 LEU CB C 105 39.740 43.021 -3.281 1
1 776 . 15 1 1 A 67 67 LEU N N 105 120.570 117.072 3.498 1
1 777 . 15 1 1 A 68 68 THR H H 106 7.940 8.152 -0.212 1
1 778 . 15 1 1 A 68 68 THR HA H 106 4.330 4.193 0.137 1
1 783 . 15 1 1 A 68 68 THR C C 106 172.806 176.384 -3.578 1
1 784 . 15 1 1 A 68 68 THR CA C 106 59.700 64.309 -4.609 1
1 785 . 15 1 1 A 68 68 THR CB C 106 67.140 69.152 -2.012 1
1 787 . 15 1 1 A 68 68 THR N N 106 111.750 114.795 -3.045 1
1 788 . 15 1 1 A 69 69 GLY H H 107 8.340 8.368 -0.028 1
1 789 . 15 1 1 A 69 69 GLY HA2 H 107 3.940 3.995 -0.055 1
1 790 . 15 1 1 A 69 69 GLY C C 107 171.503 174.885 -3.382 1
1 791 . 15 1 1 A 69 69 GLY CA C 107 42.990 45.587 -2.597 1
1 792 . 15 1 1 A 69 69 GLY N N 107 110.910 108.281 2.629 1
1 793 . 15 1 1 A 70 70 ARG H H 108 7.930 8.042 -0.112 1
1 794 . 15 1 1 A 70 70 ARG HA H 108 4.355 4.608 -0.253 1
1 801 . 15 1 1 A 70 70 ARG C C 108 173.543 175.209 -1.666 1
1 802 . 15 1 1 A 70 70 ARG CA C 108 53.170 55.806 -2.636 1
1 803 . 15 1 1 A 70 70 ARG CB C 108 28.470 31.583 -3.113 1
1 806 . 15 1 1 A 70 70 ARG N N 108 119.900 118.049 1.851 1
1 807 . 15 1 1 A 71 71 SER H H 109 8.400 7.507 0.893 1
1 808 . 15 1 1 A 71 71 SER HA H 109 4.409 4.681 -0.272 1
1 811 . 15 1 1 A 71 71 SER C C 109 172.430 174.525 -2.095 1
1 812 . 15 1 1 A 71 71 SER CA C 109 55.630 57.118 -1.488 1
1 813 . 15 1 1 A 71 71 SER CB C 109 61.060 61.419 -0.359 1
1 814 . 15 1 1 A 71 71 SER N N 109 116.970 115.686 1.284 1
1 815 . 15 1 1 A 72 72 MET H H 110 8.590 8.462 0.128 1
1 816 . 15 1 1 A 72 72 MET HA H 110 4.394 3.959 0.435 1
1 822 . 15 1 1 A 72 72 MET C C 110 173.487 176.036 -2.549 1
1 823 . 15 1 1 A 72 72 MET CA C 110 53.320 58.528 -5.208 1
1 824 . 15 1 1 A 72 72 MET CB C 110 29.300 32.251 -2.951 1
1 825 . 15 1 1 A 72 72 MET N N 110 122.250 124.545 -2.295 1
1 826 . 15 1 1 A 73 73 ASP H H 111 8.260 8.237 0.023 1
1 827 . 15 1 1 A 73 73 ASP HA H 111 4.514 4.492 0.022 1
1 830 . 15 1 1 A 73 73 ASP C C 111 173.886 176.226 -2.340 1
1 831 . 15 1 1 A 73 73 ASP CA C 111 52.150 56.934 -4.784 1
1 832 . 15 1 1 A 73 73 ASP CB C 111 38.310 40.318 -2.008 1
1 833 . 15 1 1 A 73 73 ASP N N 111 119.420 119.378 0.042 1
1 834 . 15 1 1 A 74 74 THR H H 112 7.900 7.869 0.031 1
1 835 . 15 1 1 A 74 74 THR HA H 112 4.142 4.387 -0.245 1
1 840 . 15 1 1 A 74 74 THR C C 112 172.029 175.758 -3.729 1
1 841 . 15 1 1 A 74 74 THR CA C 112 59.640 62.691 -3.051 1
1 842 . 15 1 1 A 74 74 THR CB C 112 66.820 70.746 -3.926 1
1 844 . 15 1 1 A 74 74 THR N N 112 112.950 109.435 3.515 1
1 845 . 15 1 1 A 75 75 VAL H H 113 7.840 7.897 -0.057 1
1 846 . 15 1 1 A 75 75 VAL HA H 113 3.950 4.384 -0.434 1
1 854 . 15 1 1 A 75 75 VAL C C 113 173.067 175.658 -2.591 1
1 855 . 15 1 1 A 75 75 VAL CA C 113 60.070 64.100 -4.030 1
1 856 . 15 1 1 A 75 75 VAL CB C 113 29.740 31.553 -1.813 1
1 859 . 15 1 1 A 75 75 VAL N N 113 121.540 121.899 -0.359 1
1 860 . 15 1 1 A 76 76 SER H H 114 8.020 8.239 -0.219 1
1 861 . 15 1 1 A 76 76 SER HA H 114 3.974 4.746 -0.772 1
1 864 . 15 1 1 A 76 76 SER C C 114 171.259 174.291 -3.032 1
1 865 . 15 1 1 A 76 76 SER CA C 114 55.100 57.890 -2.790 1
1 866 . 15 1 1 A 76 76 SER CB C 114 61.160 63.333 -2.173 1
1 867 . 15 1 1 A 76 76 SER N N 114 117.830 118.456 -0.626 1
1 868 . 15 1 1 A 77 77 TYR H H 115 7.770 8.560 -0.790 1
1 869 . 15 1 1 A 77 77 TYR HA H 115 4.240 4.085 0.155 1
1 874 . 15 1 1 A 77 77 TYR C C 115 172.865 175.418 -2.553 1
1 875 . 15 1 1 A 77 77 TYR CA C 115 55.100 60.773 -5.673 1
1 876 . 15 1 1 A 77 77 TYR CB C 115 36.110 36.657 -0.547 1
1 877 . 15 1 1 A 77 77 TYR N N 115 121.280 118.981 2.299 1
1 878 . 15 1 1 A 78 78 ASN HA H 116 4.790 4.847 -0.057 1
1 883 . 15 1 1 A 78 78 ASN C C 116 172.080 176.081 -4.001 1
1 884 . 15 1 1 A 78 78 ASN CA C 116 48.910 52.351 -3.441 1
1 885 . 15 1 1 A 78 78 ASN CB C 116 35.500 39.771 -4.271 1
1 886 . 15 1 1 A 78 78 ASN N N 116 112.900 117.788 -4.888 1
1 887 . 15 1 1 A 79 79 PHE H H 117 7.410 7.490 -0.080 1
1 888 . 15 1 1 A 79 79 PHE HA H 117 4.440 4.277 0.163 1
1 895 . 15 1 1 A 79 79 PHE C C 117 174.370 176.983 -2.613 1
1 896 . 15 1 1 A 79 79 PHE CA C 117 56.890 60.816 -3.926 1
1 897 . 15 1 1 A 79 79 PHE CB C 117 34.540 38.441 -3.901 1
1 898 . 15 1 1 A 79 79 PHE N N 117 121.190 118.414 2.776 1
1 899 . 15 1 1 A 80 80 ALA H H 118 8.560 7.427 1.133 1
1 900 . 15 1 1 A 80 80 ALA HA H 118 4.140 3.780 0.360 1
1 904 . 15 1 1 A 80 80 ALA C C 118 176.482 177.422 -0.940 1
1 905 . 15 1 1 A 80 80 ALA CA C 118 52.430 53.544 -1.114 1
1 906 . 15 1 1 A 80 80 ALA CB C 118 16.160 18.900 -2.740 1
1 907 . 15 1 1 A 80 80 ALA N N 118 115.100 120.861 -5.761 1
1 908 . 15 1 1 A 81 81 THR H H 119 7.330 8.019 -0.689 1
1 909 . 15 1 1 A 81 81 THR HA H 119 4.450 4.584 -0.134 1
1 914 . 15 1 1 A 81 81 THR C C 119 172.909 175.298 -2.389 1
1 915 . 15 1 1 A 81 81 THR CA C 119 59.270 60.846 -1.576 1
1 916 . 15 1 1 A 81 81 THR CB C 119 66.770 70.270 -3.500 1
1 918 . 15 1 1 A 81 81 THR N N 119 104.710 111.177 -6.467 1
1 919 . 15 1 1 A 82 82 GLU H H 120 7.890 8.049 -0.159 1
1 920 . 15 1 1 A 82 82 GLU HA H 120 4.260 4.388 -0.128 1
1 924 . 15 1 1 A 82 82 GLU C C 120 177.060 175.859 1.201 1
1 925 . 15 1 1 A 82 82 GLU CA C 120 54.740 57.112 -2.372 1
1 926 . 15 1 1 A 82 82 GLU N N 120 120.760 121.278 -0.518 1
1 927 . 15 1 1 A 83 83 ILE H H 121 7.630 7.070 0.560 1
1 928 . 15 1 1 A 83 83 ILE HA H 121 3.330 4.076 -0.746 1
1 938 . 15 1 1 A 83 83 ILE CA C 121 57.580 58.287 -0.707 1
1 939 . 15 1 1 A 83 83 ILE CB C 121 35.770 38.493 -2.723 1
1 943 . 15 1 1 A 83 83 ILE N N 121 118.900 116.736 2.164 1
1 944 . 15 1 1 A 84 84 PRO HA H 122 4.200 4.332 -0.132 1
1 951 . 15 1 1 A 84 84 PRO CA C 122 60.510 62.360 -1.850 1
1 952 . 15 1 1 A 84 84 PRO CB C 122 27.260 31.090 -3.830 1
1 955 . 15 1 1 A 86 86 THR HA H 124 3.869 4.063 -0.194 1
1 960 . 15 1 1 A 86 86 THR C C 124 172.991 176.674 -3.683 1
1 961 . 15 1 1 A 86 86 THR CA C 124 61.980 65.767 -3.787 1
1 962 . 15 1 1 A 86 86 THR CB C 124 65.710 68.787 -3.077 1
1 964 . 15 1 1 A 87 87 ILE H H 125 7.340 7.819 -0.479 1
1 965 . 15 1 1 A 87 87 ILE HA H 125 3.920 3.818 0.102 1
1 975 . 15 1 1 A 87 87 ILE C C 125 175.375 178.868 -3.493 1
1 976 . 15 1 1 A 87 87 ILE CA C 125 61.900 64.430 -2.530 1
1 977 . 15 1 1 A 87 87 ILE CB C 125 35.690 37.053 -1.363 1
1 981 . 15 1 1 A 87 87 ILE N N 125 120.800 121.798 -0.998 1
1 982 . 15 1 1 A 88 88 LEU HA H 126 4.070 4.058 0.012 1
1 992 . 15 1 1 A 88 88 LEU C C 126 177.060 178.759 -1.699 1
1 993 . 15 1 1 A 88 88 LEU CA C 126 55.950 57.731 -1.781 1
1 994 . 15 1 1 A 88 88 LEU CB C 126 39.710 41.602 -1.892 1
1 998 . 15 1 1 A 89 89 LYS H H 127 8.095 8.105 -0.010 1
1 999 . 15 1 1 A 89 89 LYS HA H 127 4.030 4.073 -0.043 1
1 1008 . 15 1 1 A 89 89 LYS C C 127 176.400 177.938 -1.538 1
1 1009 . 15 1 1 A 89 89 LYS CA C 127 56.010 58.886 -2.876 1
1 1010 . 15 1 1 A 89 89 LYS CB C 127 29.650 32.329 -2.679 1
1 1014 . 15 1 1 A 89 89 LYS N N 127 116.100 119.475 -3.375 1
1 1015 . 15 1 1 A 90 90 LYS H H 128 7.848 8.198 -0.350 1
1 1016 . 15 1 1 A 90 90 LYS HA H 128 4.160 4.077 0.083 1
1 1019 . 15 1 1 A 90 90 LYS C C 128 174.859 179.242 -4.383 1
1 1020 . 15 1 1 A 90 90 LYS CA C 128 54.750 57.888 -3.138 1
1 1021 . 15 1 1 A 90 90 LYS CB C 128 29.280 32.240 -2.960 1
1 1022 . 15 1 1 A 90 90 LYS N N 128 119.230 118.421 0.809 1
1 1023 . 15 1 1 A 91 91 LEU H H 129 7.640 7.168 0.472 1
1 1024 . 15 1 1 A 91 91 LEU HA H 129 4.250 2.732 1.518 1
1 1034 . 15 1 1 A 91 91 LEU CA C 129 52.280 56.785 -4.505 1
1 1035 . 15 1 1 A 91 91 LEU CB C 129 39.000 40.819 -1.819 1
1 1039 . 15 1 1 A 91 91 LEU N N 129 112.650 121.406 -8.756 1
1 1040 . 15 1 1 A 92 92 ASN H H 130 7.560 7.681 -0.121 1
1 1041 . 15 1 1 A 92 92 ASN HA H 130 4.300 4.149 0.151 1
1 1046 . 15 1 1 A 92 92 ASN C C 130 172.034 176.563 -4.529 1
1 1047 . 15 1 1 A 92 92 ASN CA C 130 55.070 56.223 -1.153 1
1 1048 . 15 1 1 A 92 92 ASN CB C 130 32.670 38.180 -5.510 1
1 1049 . 15 1 1 A 92 92 ASN N N 130 111.100 115.886 -4.786 1
1 1051 . 15 1 1 A 93 93 PRO HA H 131 4.220 4.188 0.032 1
1 1058 . 15 1 1 A 93 93 PRO C C 131 173.540 177.882 -4.342 1
1 1059 . 15 1 1 A 93 93 PRO CA C 131 62.300 64.839 -2.539 1
1 1060 . 15 1 1 A 93 93 PRO CB C 131 28.140 31.588 -3.448 1
1 1062 . 15 1 1 A 94 94 TYR H H 132 7.630 7.368 0.262 1
1 1063 . 15 1 1 A 94 94 TYR HA H 132 4.630 4.595 0.035 1
1 1068 . 15 1 1 A 94 94 TYR C C 132 172.700 176.130 -3.430 1
1 1069 . 15 1 1 A 94 94 TYR CA C 132 54.130 57.263 -3.133 1
1 1070 . 15 1 1 A 94 94 TYR CB C 132 36.500 39.124 -2.624 1
1 1071 . 15 1 1 A 94 94 TYR N N 132 114.100 116.337 -2.237 1
1 1072 . 15 1 1 A 95 95 ARG H H 133 7.250 9.025 -1.775 1
1 1073 . 15 1 1 A 95 95 ARG HA H 133 4.290 4.309 -0.019 1
1 1081 . 15 1 1 A 95 95 ARG C C 133 173.763 178.607 -4.844 1
1 1082 . 15 1 1 A 95 95 ARG CA C 133 54.740 58.366 -3.626 1
1 1083 . 15 1 1 A 95 95 ARG CB C 133 27.880 30.329 -2.449 1
1 1086 . 15 1 1 A 95 95 ARG N N 133 119.390 120.823 -1.433 1
1 1088 . 15 1 1 A 96 96 LYS H H 134 8.658 8.206 0.452 1
1 1089 . 15 1 1 A 96 96 LYS HA H 134 4.490 3.964 0.526 1
1 1098 . 15 1 1 A 96 96 LYS C C 134 173.560 178.806 -5.246 1
1 1099 . 15 1 1 A 96 96 LYS CA C 134 52.580 59.391 -6.811 1
1 1100 . 15 1 1 A 96 96 LYS CB C 134 30.590 32.181 -1.591 1
1 1104 . 15 1 1 A 96 96 LYS N N 134 125.000 119.668 5.332 1
1 1105 . 15 1 1 A 97 97 MET H H 135 8.330 8.768 -0.438 1
1 1106 . 15 1 1 A 97 97 MET HA H 135 4.420 4.309 0.111 1
1 1114 . 15 1 1 A 97 97 MET C C 135 172.970 176.717 -3.747 1
1 1115 . 15 1 1 A 97 97 MET CA C 135 52.490 57.471 -4.981 1
1 1116 . 15 1 1 A 97 97 MET CB C 135 30.530 32.025 -1.495 1
1 1118 . 15 1 1 A 97 97 MET N N 135 120.890 116.337 4.553 1
1 1119 . 15 1 1 A 98 98 ALA H H 136 8.290 8.081 0.209 1
1 1120 . 15 1 1 A 98 98 ALA HA H 136 4.180 4.316 -0.136 1
1 1124 . 15 1 1 A 98 98 ALA C C 136 173.767 176.602 -2.835 1
1 1125 . 15 1 1 A 98 98 ALA CA C 136 49.750 51.370 -1.620 1
1 1126 . 15 1 1 A 98 98 ALA CB C 136 16.350 18.356 -2.006 1
1 1127 . 15 1 1 A 98 98 ALA N N 136 126.050 122.076 3.974 1
1 1 . 16 1 1 A 3 3 VAL HA H 41 3.360 3.490 -0.130 1
1 9 . 16 1 1 A 3 3 VAL CA C 41 64.070 66.507 -2.437 1
1 10 . 16 1 1 A 3 3 VAL CB C 41 28.620 31.542 -2.922 1
1 13 . 16 1 1 A 4 4 LYS H H 42 8.223 8.245 -0.022 1
1 14 . 16 1 1 A 4 4 LYS HA H 42 3.610 4.025 -0.415 1
1 21 . 16 1 1 A 4 4 LYS C C 42 175.928 178.965 -3.037 1
1 22 . 16 1 1 A 4 4 LYS CA C 42 58.640 58.756 -0.116 1
1 23 . 16 1 1 A 4 4 LYS CB C 42 28.640 31.742 -3.102 1
1 25 . 16 1 1 A 4 4 LYS N N 42 118.080 119.972 -1.892 1
1 26 . 16 1 1 A 5 5 ARG H H 43 7.920 7.878 0.042 1
1 27 . 16 1 1 A 5 5 ARG HA H 43 4.060 4.081 -0.021 1
1 34 . 16 1 1 A 5 5 ARG C C 43 177.798 178.776 -0.978 1
1 35 . 16 1 1 A 5 5 ARG CA C 43 56.640 58.755 -2.115 1
1 36 . 16 1 1 A 5 5 ARG CB C 43 27.200 29.826 -2.626 1
1 38 . 16 1 1 A 5 5 ARG N N 43 117.720 119.698 -1.978 1
1 39 . 16 1 1 A 6 6 LEU H H 44 7.660 7.780 -0.120 1
1 40 . 16 1 1 A 6 6 LEU HA H 44 4.100 4.113 -0.013 1
1 50 . 16 1 1 A 6 6 LEU C C 44 176.114 178.103 -1.989 1
1 51 . 16 1 1 A 6 6 LEU CA C 44 55.100 57.315 -2.215 1
1 52 . 16 1 1 A 6 6 LEU CB C 44 39.570 41.343 -1.773 1
1 56 . 16 1 1 A 6 6 LEU N N 44 121.040 120.784 0.256 1
1 57 . 16 1 1 A 7 7 LEU H H 45 7.520 7.241 0.279 1
1 58 . 16 1 1 A 7 7 LEU HA H 45 4.350 4.636 -0.286 1
1 68 . 16 1 1 A 7 7 LEU C C 45 172.937 178.247 -5.310 1
1 69 . 16 1 1 A 7 7 LEU CA C 45 51.480 54.620 -3.140 1
1 70 . 16 1 1 A 7 7 LEU CB C 45 40.300 43.667 -3.367 1
1 74 . 16 1 1 A 7 7 LEU N N 45 116.660 115.095 1.565 1
1 75 . 16 1 1 A 8 8 SER H H 46 7.840 8.870 -1.030 1
1 76 . 16 1 1 A 8 8 SER HA H 46 3.960 4.375 -0.415 1
1 79 . 16 1 1 A 8 8 SER CA C 46 56.360 60.424 -4.064 1
1 80 . 16 1 1 A 8 8 SER CB C 46 58.870 63.502 -4.632 1
1 81 . 16 1 1 A 8 8 SER N N 46 113.750 113.732 0.018 1
1 82 . 16 1 1 A 9 9 ILE H H 47 8.290 7.574 0.716 1
1 83 . 16 1 1 A 9 9 ILE HA H 47 4.230 4.245 -0.015 1
1 93 . 16 1 1 A 9 9 ILE C C 47 174.540 175.710 -1.170 1
1 94 . 16 1 1 A 9 9 ILE CA C 47 58.680 62.594 -3.914 1
1 95 . 16 1 1 A 9 9 ILE CB C 47 36.912 39.538 -2.626 1
1 99 . 16 1 1 A 9 9 ILE N N 47 119.850 120.711 -0.861 1
1 100 . 16 1 1 A 10 10 THR H H 48 8.760 8.034 0.726 1
1 101 . 16 1 1 A 10 10 THR HA H 48 4.465 4.418 0.047 1
1 106 . 16 1 1 A 10 10 THR C C 48 171.266 174.616 -3.350 1
1 107 . 16 1 1 A 10 10 THR CA C 48 58.390 61.634 -3.244 1
1 108 . 16 1 1 A 10 10 THR CB C 48 66.310 66.705 -0.395 1
1 110 . 16 1 1 A 10 10 THR N N 48 117.590 113.046 4.544 1
1 111 . 16 1 1 A 11 11 ASN H H 49 7.360 8.019 -0.659 1
1 112 . 16 1 1 A 11 11 ASN HA H 49 4.909 4.841 0.068 1
1 117 . 16 1 1 A 11 11 ASN C C 49 172.506 174.681 -2.175 1
1 118 . 16 1 1 A 11 11 ASN CA C 49 49.430 53.968 -4.538 1
1 119 . 16 1 1 A 11 11 ASN CB C 49 37.420 41.266 -3.846 1
1 120 . 16 1 1 A 11 11 ASN N N 49 113.560 121.610 -8.050 1
1 122 . 16 1 1 A 12 12 ASP H H 50 8.256 7.980 0.276 1
1 123 . 16 1 1 A 12 12 ASP HA H 50 4.650 4.588 0.062 1
1 126 . 16 1 1 A 12 12 ASP C C 50 176.400 177.396 -0.996 1
1 127 . 16 1 1 A 12 12 ASP CA C 50 51.210 54.052 -2.842 1
1 128 . 16 1 1 A 12 12 ASP CB C 50 38.080 42.498 -4.418 1
1 129 . 16 1 1 A 12 12 ASP N N 50 117.210 119.755 -2.545 1
1 130 . 16 1 1 A 13 13 LYS H H 51 7.895 8.934 -1.039 1
1 131 . 16 1 1 A 13 13 LYS HA H 51 3.840 4.079 -0.239 1
1 140 . 16 1 1 A 13 13 LYS C C 51 174.700 178.675 -3.975 1
1 141 . 16 1 1 A 13 13 LYS CA C 51 56.320 58.735 -2.415 1
1 142 . 16 1 1 A 13 13 LYS CB C 51 29.760 31.890 -2.130 1
1 146 . 16 1 1 A 13 13 LYS N N 51 120.500 122.392 -1.892 1
1 147 . 16 1 1 A 14 14 HIS H H 52 9.000 8.185 0.815 1
1 148 . 16 1 1 A 14 14 HIS HA H 52 5.120 4.482 0.638 1
1 152 . 16 1 1 A 14 14 HIS C C 52 173.200 176.953 -3.753 1
1 153 . 16 1 1 A 14 14 HIS CA C 52 52.370 59.161 -6.791 1
1 154 . 16 1 1 A 14 14 HIS CB C 52 27.520 29.059 -1.539 1
1 155 . 16 1 1 A 14 14 HIS N N 52 116.200 118.871 -2.671 1
1 156 . 16 1 1 A 15 15 ASP H H 53 7.640 8.298 -0.658 1
1 157 . 16 1 1 A 15 15 ASP HA H 53 4.120 4.319 -0.199 1
1 160 . 16 1 1 A 15 15 ASP C C 53 176.183 178.595 -2.412 1
1 161 . 16 1 1 A 15 15 ASP CA C 53 56.060 57.719 -1.659 1
1 162 . 16 1 1 A 15 15 ASP CB C 53 36.350 40.924 -4.574 1
1 163 . 16 1 1 A 15 15 ASP N N 53 122.780 120.473 2.307 1
1 164 . 16 1 1 A 16 16 GLU H H 54 8.890 7.808 1.082 1
1 165 . 16 1 1 A 16 16 GLU HA H 54 4.020 4.109 -0.089 1
1 170 . 16 1 1 A 16 16 GLU CA C 54 57.770 59.250 -1.480 1
1 171 . 16 1 1 A 16 16 GLU CB C 54 26.330 29.184 -2.854 1
1 173 . 16 1 1 A 16 16 GLU N N 54 122.770 119.472 3.298 1
1 174 . 16 1 1 A 17 17 TYR H H 55 8.130 8.372 -0.242 1
1 175 . 16 1 1 A 17 17 TYR HA H 55 4.390 4.186 0.204 1
1 180 . 16 1 1 A 17 17 TYR C C 55 175.213 177.692 -2.479 1
1 181 . 16 1 1 A 17 17 TYR CA C 55 58.150 61.484 -3.334 1
1 182 . 16 1 1 A 17 17 TYR CB C 55 36.000 38.459 -2.459 1
1 185 . 16 1 1 A 17 17 TYR N N 55 121.000 121.341 -0.341 1
1 186 . 16 1 1 A 18 18 LEU H H 56 8.740 8.747 -0.007 1
1 187 . 16 1 1 A 18 18 LEU HA H 56 3.710 3.991 -0.281 1
1 197 . 16 1 1 A 18 18 LEU C C 56 175.500 178.457 -2.957 1
1 198 . 16 1 1 A 18 18 LEU CA C 56 55.470 58.411 -2.941 1
1 199 . 16 1 1 A 18 18 LEU CB C 56 39.920 41.841 -1.921 1
1 203 . 16 1 1 A 18 18 LEU N N 56 118.100 120.787 -2.687 1
1 204 . 16 1 1 A 19 19 THR H H 57 8.420 8.202 0.218 1
1 205 . 16 1 1 A 19 19 THR HA H 57 3.820 3.903 -0.083 1
1 210 . 16 1 1 A 19 19 THR C C 57 172.234 176.394 -4.160 1
1 211 . 16 1 1 A 19 19 THR CA C 57 64.220 65.715 -1.495 1
1 212 . 16 1 1 A 19 19 THR CB C 57 66.050 68.255 -2.205 1
1 214 . 16 1 1 A 19 19 THR N N 57 114.940 112.745 2.195 1
1 215 . 16 1 1 A 20 20 GLU H H 58 7.087 8.874 -1.787 1
1 216 . 16 1 1 A 20 20 GLU HA H 58 4.320 4.002 0.318 1
1 221 . 16 1 1 A 20 20 GLU C C 58 175.554 178.418 -2.864 1
1 222 . 16 1 1 A 20 20 GLU CA C 58 55.170 59.043 -3.873 1
1 223 . 16 1 1 A 20 20 GLU CB C 58 27.920 28.329 -0.409 1
1 225 . 16 1 1 A 20 20 GLU N N 58 117.800 120.477 -2.677 1
1 226 . 16 1 1 A 21 21 MET H H 59 8.320 7.457 0.863 1
1 227 . 16 1 1 A 21 21 MET HA H 59 4.330 3.787 0.543 1
1 235 . 16 1 1 A 21 21 MET C C 59 175.330 178.521 -3.191 1
1 236 . 16 1 1 A 21 21 MET CA C 59 54.270 58.433 -4.163 1
1 237 . 16 1 1 A 21 21 MET CB C 59 30.620 31.880 -1.260 1
1 240 . 16 1 1 A 21 21 MET N N 59 116.300 119.005 -2.705 1
1 241 . 16 1 1 A 22 22 VAL H H 60 8.800 7.432 1.368 1
1 242 . 16 1 1 A 22 22 VAL HA H 60 3.630 3.579 0.051 1
1 250 . 16 1 1 A 22 22 VAL C C 60 172.042 174.554 -2.512 1
1 251 . 16 1 1 A 22 22 VAL CA C 60 66.980 67.365 -0.385 1
1 252 . 16 1 1 A 22 22 VAL CB C 60 26.120 29.434 -3.314 1
1 255 . 16 1 1 A 22 22 VAL N N 60 117.600 119.486 -1.886 1
1 256 . 16 1 1 A 23 23 PRO HA H 61 4.270 4.317 -0.047 1
1 263 . 16 1 1 A 23 23 PRO C C 61 177.110 179.271 -2.161 1
1 264 . 16 1 1 A 23 23 PRO CA C 61 63.460 65.434 -1.974 1
1 265 . 16 1 1 A 23 23 PRO CB C 61 28.400 31.176 -2.776 1
1 267 . 16 1 1 A 24 24 LEU H H 62 6.700 7.320 -0.620 1
1 268 . 16 1 1 A 24 24 LEU HA H 62 4.250 4.107 0.143 1
1 278 . 16 1 1 A 24 24 LEU C C 62 177.872 179.459 -1.587 1
1 279 . 16 1 1 A 24 24 LEU CA C 62 55.130 58.077 -2.947 1
1 280 . 16 1 1 A 24 24 LEU CB C 62 39.440 42.319 -2.879 1
1 284 . 16 1 1 A 24 24 LEU N N 62 115.750 117.717 -1.967 1
1 285 . 16 1 1 A 25 25 LEU H H 63 8.190 7.627 0.563 1
1 286 . 16 1 1 A 25 25 LEU HA H 63 3.920 4.266 -0.346 1
1 296 . 16 1 1 A 25 25 LEU C C 63 176.367 178.864 -2.497 1
1 297 . 16 1 1 A 25 25 LEU CA C 63 54.950 58.409 -3.459 1
1 298 . 16 1 1 A 25 25 LEU CB C 63 41.090 41.436 -0.346 1
1 302 . 16 1 1 A 25 25 LEU N N 63 121.800 116.377 5.423 1
1 303 . 16 1 1 A 26 26 VAL H H 64 8.590 8.488 0.102 1
1 304 . 16 1 1 A 26 26 VAL HA H 64 3.480 3.993 -0.513 1
1 312 . 16 1 1 A 26 26 VAL C C 64 174.801 178.144 -3.343 1
1 313 . 16 1 1 A 26 26 VAL CA C 64 64.860 65.576 -0.716 1
1 314 . 16 1 1 A 26 26 VAL CB C 64 28.900 31.417 -2.517 1
1 317 . 16 1 1 A 26 26 VAL N N 64 120.990 116.924 4.066 1
1 318 . 16 1 1 A 27 27 GLU H H 65 8.090 7.773 0.317 1
1 319 . 16 1 1 A 27 27 GLU HA H 65 3.970 4.013 -0.043 1
1 324 . 16 1 1 A 27 27 GLU C C 65 176.169 178.897 -2.728 1
1 325 . 16 1 1 A 27 27 GLU CA C 65 56.990 59.280 -2.290 1
1 326 . 16 1 1 A 27 27 GLU CB C 65 26.540 29.509 -2.969 1
1 328 . 16 1 1 A 27 27 GLU N N 65 118.990 121.989 -2.999 1
1 329 . 16 1 1 A 28 28 PHE H H 66 8.075 8.073 0.002 1
1 330 . 16 1 1 A 28 28 PHE HA H 66 4.570 4.362 0.208 1
1 337 . 16 1 1 A 28 28 PHE C C 66 173.482 177.676 -4.194 1
1 338 . 16 1 1 A 28 28 PHE CA C 66 58.390 61.668 -3.278 1
1 339 . 16 1 1 A 28 28 PHE CB C 66 36.680 39.428 -2.748 1
1 340 . 16 1 1 A 28 28 PHE N N 66 119.000 121.602 -2.602 1
1 341 . 16 1 1 A 29 29 ALA H H 67 8.420 8.908 -0.488 1
1 342 . 16 1 1 A 29 29 ALA HA H 67 3.500 3.828 -0.328 1
1 346 . 16 1 1 A 29 29 ALA C C 67 176.624 179.594 -2.970 1
1 347 . 16 1 1 A 29 29 ALA CA C 67 52.800 55.036 -2.236 1
1 348 . 16 1 1 A 29 29 ALA CB C 67 15.290 18.252 -2.962 1
1 349 . 16 1 1 A 29 29 ALA N N 67 121.810 121.182 0.628 1
1 350 . 16 1 1 A 30 30 LYS H H 68 8.227 8.125 0.102 1
1 351 . 16 1 1 A 30 30 LYS HA H 68 4.090 4.222 -0.132 1
1 360 . 16 1 1 A 30 30 LYS C C 68 177.400 179.342 -1.942 1
1 361 . 16 1 1 A 30 30 LYS CA C 68 56.700 59.171 -2.471 1
1 362 . 16 1 1 A 30 30 LYS CB C 68 31.230 31.975 -0.745 1
1 366 . 16 1 1 A 30 30 LYS N N 68 117.500 118.238 -0.738 1
1 367 . 16 1 1 A 31 31 ASP H H 69 7.820 8.170 -0.350 1
1 368 . 16 1 1 A 31 31 ASP HA H 69 4.210 4.218 -0.008 1
1 371 . 16 1 1 A 31 31 ASP C C 69 176.438 178.566 -2.128 1
1 372 . 16 1 1 A 31 31 ASP CA C 69 54.310 56.583 -2.273 1
1 373 . 16 1 1 A 31 31 ASP CB C 69 38.320 41.134 -2.814 1
1 374 . 16 1 1 A 31 31 ASP N N 69 120.370 119.844 0.526 1
1 375 . 16 1 1 A 32 32 GLU H H 70 8.840 8.111 0.729 1
1 376 . 16 1 1 A 32 32 GLU HA H 70 3.730 4.038 -0.308 1
1 381 . 16 1 1 A 32 32 GLU C C 70 176.119 178.845 -2.726 1
1 382 . 16 1 1 A 32 32 GLU CA C 70 55.270 58.917 -3.647 1
1 383 . 16 1 1 A 32 32 GLU CB C 70 26.810 29.017 -2.207 1
1 385 . 16 1 1 A 32 32 GLU N N 70 120.750 118.816 1.934 1
1 386 . 16 1 1 A 33 33 CYS H H 71 7.960 7.729 0.231 1
1 387 . 16 1 1 A 33 33 CYS HA H 71 4.070 4.337 -0.267 1
1 390 . 16 1 1 A 33 33 CYS C C 71 170.993 174.770 -3.777 1
1 391 . 16 1 1 A 33 33 CYS CA C 71 58.160 61.044 -2.884 1
1 392 . 16 1 1 A 33 33 CYS CB C 71 26.000 28.025 -2.025 1
1 393 . 16 1 1 A 33 33 CYS N N 71 111.530 117.600 -6.070 1
1 394 . 16 1 1 A 34 34 HIS H H 72 7.560 7.608 -0.048 1
1 395 . 16 1 1 A 34 34 HIS HA H 72 4.040 4.621 -0.581 1
1 398 . 16 1 1 A 34 34 HIS C C 72 170.400 174.333 -3.933 1
1 399 . 16 1 1 A 34 34 HIS CA C 72 53.230 56.514 -3.284 1
1 400 . 16 1 1 A 34 34 HIS CB C 72 23.830 32.331 -8.501 1
1 401 . 16 1 1 A 34 34 HIS N N 72 118.100 119.230 -1.130 1
1 402 . 16 1 1 A 35 35 ASN H H 73 7.590 7.789 -0.199 1
1 403 . 16 1 1 A 35 35 ASN HA H 73 4.805 5.084 -0.279 1
1 408 . 16 1 1 A 35 35 ASN C C 73 170.429 174.824 -4.395 1
1 409 . 16 1 1 A 35 35 ASN CA C 73 46.130 50.221 -4.091 1
1 410 . 16 1 1 A 35 35 ASN CB C 73 39.580 40.397 -0.817 1
1 411 . 16 1 1 A 35 35 ASN N N 73 112.400 114.209 -1.809 1
1 413 . 16 1 1 A 36 36 PRO HA H 74 4.120 4.162 -0.042 1
1 420 . 16 1 1 A 36 36 PRO C C 74 173.450 177.098 -3.648 1
1 421 . 16 1 1 A 36 36 PRO CA C 74 59.950 63.187 -3.237 1
1 422 . 16 1 1 A 36 36 PRO CB C 74 29.200 32.265 -3.065 1
1 425 . 16 1 1 A 37 37 PHE H H 75 8.057 7.977 0.080 1
1 426 . 16 1 1 A 37 37 PHE HA H 75 4.200 4.226 -0.026 1
1 432 . 16 1 1 A 37 37 PHE C C 75 171.107 174.767 -3.660 1
1 433 . 16 1 1 A 37 37 PHE CA C 75 55.120 59.201 -4.081 1
1 434 . 16 1 1 A 37 37 PHE CB C 75 33.760 36.773 -3.013 1
1 436 . 16 1 1 A 38 38 ILE H H 76 7.610 7.681 -0.071 1
1 437 . 16 1 1 A 38 38 ILE HA H 76 4.870 4.356 0.514 1
1 447 . 16 1 1 A 38 38 ILE C C 76 174.180 174.660 -0.480 1
1 448 . 16 1 1 A 38 38 ILE CA C 76 56.300 61.246 -4.946 1
1 449 . 16 1 1 A 38 38 ILE CB C 76 38.040 38.332 -0.292 1
1 453 . 16 1 1 A 38 38 ILE N N 76 113.800 123.028 -9.228 1
1 454 . 16 1 1 A 39 39 ASP H H 77 8.830 8.385 0.445 1
1 455 . 16 1 1 A 39 39 ASP HA H 77 4.710 4.994 -0.284 1
1 458 . 16 1 1 A 39 39 ASP C C 77 175.969 176.477 -0.508 1
1 459 . 16 1 1 A 39 39 ASP CA C 77 49.800 51.933 -2.133 1
1 460 . 16 1 1 A 39 39 ASP CB C 77 39.180 43.946 -4.766 1
1 461 . 16 1 1 A 39 39 ASP N N 77 125.380 125.853 -0.473 1
1 462 . 16 1 1 A 40 40 LYS H H 78 8.370 8.709 -0.339 1
1 463 . 16 1 1 A 40 40 LYS HA H 78 4.100 3.988 0.112 1
1 468 . 16 1 1 A 40 40 LYS C C 78 174.100 177.094 -2.994 1
1 469 . 16 1 1 A 40 40 LYS CA C 78 55.800 58.674 -2.874 1
1 470 . 16 1 1 A 40 40 LYS CB C 78 29.120 32.061 -2.941 1
1 471 . 16 1 1 A 40 40 LYS N N 78 116.800 124.217 -7.417 1
1 472 . 16 1 1 A 41 41 ASP H H 79 8.030 8.030 0.000 1
1 473 . 16 1 1 A 41 41 ASP HA H 79 4.810 4.685 0.125 1
1 476 . 16 1 1 A 41 41 ASP C C 79 173.360 176.815 -3.455 1
1 477 . 16 1 1 A 41 41 ASP CA C 79 51.650 53.891 -2.241 1
1 478 . 16 1 1 A 41 41 ASP CB C 79 39.570 41.825 -2.255 1
1 479 . 16 1 1 A 41 41 ASP N N 79 118.660 116.821 1.839 1
1 480 . 16 1 1 A 42 42 GLY H H 80 8.090 8.328 -0.238 1
1 481 . 16 1 1 A 42 42 GLY HA2 H 80 4.230 3.923 0.307 1
1 482 . 16 1 1 A 42 42 GLY HA3 H 80 3.490 3.928 -0.438 1
1 483 . 16 1 1 A 42 42 GLY C C 80 171.399 174.461 -3.062 1
1 484 . 16 1 1 A 42 42 GLY CA C 80 42.720 46.181 -3.461 1
1 485 . 16 1 1 A 42 42 GLY N N 80 107.750 109.584 -1.834 1
1 486 . 16 1 1 A 43 43 ASN H H 81 8.470 8.160 0.310 1
1 487 . 16 1 1 A 43 43 ASN HA H 81 4.815 4.993 -0.178 1
1 492 . 16 1 1 A 43 43 ASN C C 81 172.066 175.619 -3.553 1
1 493 . 16 1 1 A 43 43 ASN CA C 81 49.580 52.732 -3.152 1
1 494 . 16 1 1 A 43 43 ASN CB C 81 36.800 39.523 -2.723 1
1 495 . 16 1 1 A 43 43 ASN N N 81 117.600 118.539 -0.939 1
1 497 . 16 1 1 A 44 44 GLU H H 82 8.730 8.596 0.134 1
1 498 . 16 1 1 A 44 44 GLU HA H 82 4.370 4.682 -0.312 1
1 503 . 16 1 1 A 44 44 GLU C C 82 173.651 175.749 -2.098 1
1 504 . 16 1 1 A 44 44 GLU CA C 82 55.170 56.394 -1.224 1
1 505 . 16 1 1 A 44 44 GLU CB C 82 27.740 30.495 -2.755 1
1 507 . 16 1 1 A 44 44 GLU N N 82 123.400 123.141 0.259 1
1 508 . 16 1 1 A 45 45 SER H H 83 8.960 9.139 -0.179 1
1 509 . 16 1 1 A 45 45 SER HA H 83 4.510 4.950 -0.440 1
1 512 . 16 1 1 A 45 45 SER C C 83 170.100 172.336 -2.236 1
1 513 . 16 1 1 A 45 45 SER CA C 83 53.800 56.934 -3.134 1
1 514 . 16 1 1 A 45 45 SER CB C 83 60.320 65.413 -5.093 1
1 515 . 16 1 1 A 45 45 SER N N 83 123.400 115.696 7.704 1
1 516 . 16 1 1 A 46 46 ILE H H 84 8.990 8.740 0.250 1
1 517 . 16 1 1 A 46 46 ILE HA H 84 3.880 4.684 -0.804 1
1 527 . 16 1 1 A 46 46 ILE C C 84 177.600 174.801 2.799 1
1 528 . 16 1 1 A 46 46 ILE CA C 84 55.490 57.945 -2.455 1
1 529 . 16 1 1 A 46 46 ILE CB C 84 34.850 41.243 -6.393 1
1 533 . 16 1 1 A 46 46 ILE N N 84 127.800 123.882 3.918 1
1 534 . 16 1 1 A 47 47 PRO HA H 85 3.840 4.759 -0.919 1
1 541 . 16 1 1 A 47 47 PRO C C 85 172.918 177.137 -4.219 1
1 542 . 16 1 1 A 47 47 PRO CA C 85 61.880 62.164 -0.284 1
1 543 . 16 1 1 A 47 47 PRO CB C 85 34.920 33.194 1.726 1
1 546 . 16 1 1 A 48 48 SER H H 86 7.780 8.713 -0.933 1
1 547 . 16 1 1 A 48 48 SER C C 86 174.554 176.943 -2.389 1
1 548 . 16 1 1 A 49 49 GLY H H 87 8.230 8.317 -0.087 1
1 549 . 16 1 1 A 49 49 GLY HA2 H 87 4.300 3.713 0.587 1
1 550 . 16 1 1 A 49 49 GLY HA3 H 87 3.950 3.717 0.233 1
1 551 . 16 1 1 A 49 49 GLY C C 87 173.507 175.911 -2.404 1
1 552 . 16 1 1 A 49 49 GLY CA C 87 44.600 47.425 -2.825 1
1 553 . 16 1 1 A 49 49 GLY N N 87 105.900 108.999 -3.099 1
1 554 . 16 1 1 A 50 50 VAL H H 88 6.855 8.205 -1.350 1
1 555 . 16 1 1 A 50 50 VAL HA H 88 3.510 3.980 -0.470 1
1 563 . 16 1 1 A 50 50 VAL C C 88 174.450 177.976 -3.526 1
1 564 . 16 1 1 A 50 50 VAL CA C 88 62.420 65.574 -3.154 1
1 565 . 16 1 1 A 50 50 VAL CB C 88 28.000 31.646 -3.646 1
1 568 . 16 1 1 A 50 50 VAL N N 88 119.950 122.450 -2.500 1
1 569 . 16 1 1 A 51 51 LEU H H 89 7.360 7.843 -0.483 1
1 570 . 16 1 1 A 51 51 LEU HA H 89 3.570 4.128 -0.558 1
1 580 . 16 1 1 A 51 51 LEU C C 89 175.078 178.403 -3.325 1
1 581 . 16 1 1 A 51 51 LEU CA C 89 55.490 58.105 -2.615 1
1 582 . 16 1 1 A 51 51 LEU CB C 89 37.320 41.550 -4.230 1
1 586 . 16 1 1 A 51 51 LEU N N 89 122.100 121.669 0.431 1
1 587 . 16 1 1 A 52 52 ILE H H 90 7.770 7.637 0.133 1
1 588 . 16 1 1 A 52 52 ILE HA H 90 3.600 3.835 -0.235 1
1 598 . 16 1 1 A 52 52 ILE C C 90 175.000 178.070 -3.070 1
1 599 . 16 1 1 A 52 52 ILE CA C 90 62.720 64.484 -1.764 1
1 600 . 16 1 1 A 52 52 ILE CB C 90 34.510 37.396 -2.886 1
1 604 . 16 1 1 A 52 52 ILE N N 90 117.460 115.817 1.643 1
1 605 . 16 1 1 A 53 53 PHE H H 91 7.400 8.152 -0.752 1
1 606 . 16 1 1 A 53 53 PHE HA H 91 3.900 4.205 -0.305 1
1 613 . 16 1 1 A 53 53 PHE C C 91 172.073 177.146 -5.073 1
1 614 . 16 1 1 A 53 53 PHE CA C 91 59.340 61.524 -2.184 1
1 615 . 16 1 1 A 53 53 PHE CB C 91 35.540 39.221 -3.681 1
1 616 . 16 1 1 A 53 53 PHE N N 91 119.280 124.361 -5.081 1
1 617 . 16 1 1 A 54 54 VAL H H 92 8.450 8.144 0.306 1
1 618 . 16 1 1 A 54 54 VAL HA H 92 2.850 3.626 -0.776 1
1 626 . 16 1 1 A 54 54 VAL C C 92 174.300 177.959 -3.659 1
1 627 . 16 1 1 A 54 54 VAL CA C 92 63.860 65.381 -1.521 1
1 628 . 16 1 1 A 54 54 VAL CB C 92 28.570 31.078 -2.508 1
1 631 . 16 1 1 A 54 54 VAL N N 92 119.170 118.540 0.630 1
1 632 . 16 1 1 A 55 55 ALA H H 93 8.615 7.949 0.666 1
1 633 . 16 1 1 A 55 55 ALA HA H 93 3.750 3.928 -0.178 1
1 637 . 16 1 1 A 55 55 ALA C C 93 176.294 179.770 -3.476 1
1 638 . 16 1 1 A 55 55 ALA CA C 93 52.800 55.598 -2.798 1
1 639 . 16 1 1 A 55 55 ALA CB C 93 16.050 18.154 -2.104 1
1 640 . 16 1 1 A 55 55 ALA N N 93 120.170 123.528 -3.358 1
1 641 . 16 1 1 A 56 56 LYS H H 94 8.548 8.042 0.506 1
1 642 . 16 1 1 A 56 56 LYS HA H 94 3.980 4.019 -0.039 1
1 649 . 16 1 1 A 56 56 LYS C C 94 177.600 179.294 -1.694 1
1 650 . 16 1 1 A 56 56 LYS CA C 94 55.800 59.109 -3.309 1
1 651 . 16 1 1 A 56 56 LYS CB C 94 29.500 32.058 -2.558 1
1 654 . 16 1 1 A 56 56 LYS N N 94 115.200 116.946 -1.746 1
1 655 . 16 1 1 A 57 57 ALA H H 95 8.840 7.858 0.982 1
1 656 . 16 1 1 A 57 57 ALA HA H 95 3.940 3.911 0.029 1
1 660 . 16 1 1 A 57 57 ALA C C 95 175.754 179.935 -4.181 1
1 661 . 16 1 1 A 57 57 ALA CA C 95 52.670 54.935 -2.265 1
1 662 . 16 1 1 A 57 57 ALA CB C 95 16.070 17.922 -1.852 1
1 663 . 16 1 1 A 57 57 ALA N N 95 124.210 122.491 1.719 1
1 664 . 16 1 1 A 58 58 ALA H H 96 8.816 7.449 1.367 1
1 665 . 16 1 1 A 58 58 ALA HA H 96 4.043 4.063 -0.020 1
1 669 . 16 1 1 A 58 58 ALA C C 96 177.600 179.952 -2.352 1
1 670 . 16 1 1 A 58 58 ALA CA C 96 52.770 54.729 -1.959 1
1 671 . 16 1 1 A 58 58 ALA CB C 96 13.560 18.265 -4.705 1
1 672 . 16 1 1 A 58 58 ALA N N 96 120.500 119.964 0.536 1
1 673 . 16 1 1 A 59 59 GLN H H 97 8.490 8.026 0.464 1
1 674 . 16 1 1 A 59 59 GLN HA H 97 3.960 4.049 -0.089 1
1 681 . 16 1 1 A 59 59 GLN C C 97 175.100 178.181 -3.081 1
1 682 . 16 1 1 A 59 59 GLN CA C 97 56.370 58.862 -2.492 1
1 683 . 16 1 1 A 59 59 GLN CB C 97 26.500 28.164 -1.664 1
1 684 . 16 1 1 A 59 59 GLN N N 97 118.750 119.080 -0.330 1
1 686 . 16 1 1 A 60 60 PHE H H 98 8.020 7.903 0.117 1
1 687 . 16 1 1 A 60 60 PHE HA H 98 4.120 4.227 -0.107 1
1 694 . 16 1 1 A 60 60 PHE C C 98 174.780 176.868 -2.088 1
1 695 . 16 1 1 A 60 60 PHE CA C 98 58.650 61.460 -2.810 1
1 696 . 16 1 1 A 60 60 PHE CB C 98 35.240 39.377 -4.137 1
1 697 . 16 1 1 A 60 60 PHE N N 98 122.380 120.507 1.873 1
1 698 . 16 1 1 A 61 61 TYR H H 99 7.900 8.151 -0.251 1
1 699 . 16 1 1 A 61 61 TYR HA H 99 3.900 4.245 -0.345 1
1 704 . 16 1 1 A 61 61 TYR C C 99 175.494 177.527 -2.033 1
1 705 . 16 1 1 A 61 61 TYR CA C 99 60.600 61.367 -0.767 1
1 706 . 16 1 1 A 61 61 TYR CB C 99 36.120 38.501 -2.381 1
1 707 . 16 1 1 A 61 61 TYR N N 99 118.100 120.060 -1.960 1
1 708 . 16 1 1 A 62 62 MET H H 100 8.170 8.132 0.038 1
1 709 . 16 1 1 A 62 62 MET HA H 100 3.810 3.937 -0.127 1
1 717 . 16 1 1 A 62 62 MET C C 100 175.130 178.222 -3.092 1
1 718 . 16 1 1 A 62 62 MET CA C 100 56.270 58.341 -2.071 1
1 719 . 16 1 1 A 62 62 MET CB C 100 31.260 32.188 -0.928 1
1 722 . 16 1 1 A 62 62 MET N N 100 118.350 118.232 0.118 1
1 723 . 16 1 1 A 63 63 THR H H 101 7.720 7.788 -0.068 1
1 724 . 16 1 1 A 63 63 THR HA H 101 4.120 4.065 0.055 1
1 729 . 16 1 1 A 63 63 THR C C 101 172.265 175.334 -3.069 1
1 730 . 16 1 1 A 63 63 THR CA C 101 60.060 64.941 -4.881 1
1 731 . 16 1 1 A 63 63 THR CB C 101 66.880 68.236 -1.356 1
1 733 . 16 1 1 A 63 63 THR N N 101 110.720 113.019 -2.299 1
1 734 . 16 1 1 A 64 64 ASN H H 102 7.620 8.393 -0.773 1
1 735 . 16 1 1 A 64 64 ASN HA H 102 4.541 4.469 0.072 1
1 740 . 16 1 1 A 64 64 ASN C C 102 172.591 176.404 -3.813 1
1 741 . 16 1 1 A 64 64 ASN CA C 102 51.480 53.716 -2.236 1
1 742 . 16 1 1 A 64 64 ASN CB C 102 36.830 36.657 0.173 1
1 743 . 16 1 1 A 64 64 ASN N N 102 114.000 118.678 -4.678 1
1 745 . 16 1 1 A 65 65 ALA H H 103 8.060 7.816 0.244 1
1 746 . 16 1 1 A 65 65 ALA HA H 103 4.183 4.068 0.115 1
1 750 . 16 1 1 A 65 65 ALA C C 103 176.032 178.555 -2.523 1
1 751 . 16 1 1 A 65 65 ALA CA C 103 51.130 55.163 -4.033 1
1 752 . 16 1 1 A 65 65 ALA CB C 103 16.230 18.873 -2.643 1
1 753 . 16 1 1 A 65 65 ALA N N 103 123.910 123.358 0.552 1
1 754 . 16 1 1 A 66 66 GLY H H 104 8.220 7.360 0.860 1
1 755 . 16 1 1 A 66 66 GLY HA2 H 104 3.883 4.128 -0.245 1
1 756 . 16 1 1 A 66 66 GLY C C 104 172.222 174.212 -1.990 1
1 757 . 16 1 1 A 66 66 GLY CA C 104 43.170 45.661 -2.491 1
1 758 . 16 1 1 A 66 66 GLY N N 104 106.420 103.637 2.783 1
1 759 . 16 1 1 A 67 67 LEU H H 105 7.890 7.693 0.197 1
1 760 . 16 1 1 A 67 67 LEU HA H 105 4.290 4.567 -0.277 1
1 770 . 16 1 1 A 67 67 LEU C C 105 175.406 177.973 -2.567 1
1 771 . 16 1 1 A 67 67 LEU CA C 105 53.110 55.210 -2.100 1
1 772 . 16 1 1 A 67 67 LEU CB C 105 39.740 42.763 -3.023 1
1 776 . 16 1 1 A 67 67 LEU N N 105 120.570 117.322 3.248 1
1 777 . 16 1 1 A 68 68 THR H H 106 7.940 7.978 -0.038 1
1 778 . 16 1 1 A 68 68 THR HA H 106 4.330 4.112 0.218 1
1 783 . 16 1 1 A 68 68 THR C C 106 172.806 175.952 -3.146 1
1 784 . 16 1 1 A 68 68 THR CA C 106 59.700 66.529 -6.829 1
1 785 . 16 1 1 A 68 68 THR CB C 106 67.140 68.660 -1.520 1
1 787 . 16 1 1 A 68 68 THR N N 106 111.750 115.545 -3.795 1
1 788 . 16 1 1 A 69 69 GLY H H 107 8.340 7.782 0.558 1
1 789 . 16 1 1 A 69 69 GLY HA2 H 107 3.940 3.882 0.058 1
1 790 . 16 1 1 A 69 69 GLY C C 107 171.503 174.563 -3.060 1
1 791 . 16 1 1 A 69 69 GLY CA C 107 42.990 46.711 -3.721 1
1 792 . 16 1 1 A 69 69 GLY N N 107 110.910 108.368 2.542 1
1 793 . 16 1 1 A 70 70 ARG H H 108 7.930 7.962 -0.032 1
1 794 . 16 1 1 A 70 70 ARG HA H 108 4.355 4.186 0.169 1
1 801 . 16 1 1 A 70 70 ARG C C 108 173.543 176.507 -2.964 1
1 802 . 16 1 1 A 70 70 ARG CA C 108 53.170 56.388 -3.218 1
1 803 . 16 1 1 A 70 70 ARG CB C 108 28.470 29.302 -0.832 1
1 806 . 16 1 1 A 70 70 ARG N N 108 119.900 124.014 -4.114 1
1 807 . 16 1 1 A 71 71 SER H H 109 8.400 8.724 -0.324 1
1 808 . 16 1 1 A 71 71 SER HA H 109 4.409 4.155 0.254 1
1 811 . 16 1 1 A 71 71 SER C C 109 172.430 173.682 -1.252 1
1 812 . 16 1 1 A 71 71 SER CA C 109 55.630 59.349 -3.719 1
1 813 . 16 1 1 A 71 71 SER CB C 109 61.060 62.263 -1.203 1
1 814 . 16 1 1 A 71 71 SER N N 109 116.970 114.346 2.624 1
1 815 . 16 1 1 A 72 72 MET H H 110 8.590 8.738 -0.148 1
1 816 . 16 1 1 A 72 72 MET HA H 110 4.394 4.136 0.258 1
1 822 . 16 1 1 A 72 72 MET C C 110 173.487 174.713 -1.226 1
1 823 . 16 1 1 A 72 72 MET CA C 110 53.320 56.446 -3.126 1
1 824 . 16 1 1 A 72 72 MET CB C 110 29.300 31.467 -2.167 1
1 825 . 16 1 1 A 72 72 MET N N 110 122.250 117.982 4.268 1
1 826 . 16 1 1 A 73 73 ASP H H 111 8.260 8.539 -0.279 1
1 827 . 16 1 1 A 73 73 ASP HA H 111 4.514 4.370 0.144 1
1 830 . 16 1 1 A 73 73 ASP C C 111 173.886 175.808 -1.922 1
1 831 . 16 1 1 A 73 73 ASP CA C 111 52.150 55.873 -3.723 1
1 832 . 16 1 1 A 73 73 ASP CB C 111 38.310 39.316 -1.006 1
1 833 . 16 1 1 A 73 73 ASP N N 111 119.420 112.184 7.236 1
1 834 . 16 1 1 A 74 74 THR H H 112 7.900 8.271 -0.371 1
1 835 . 16 1 1 A 74 74 THR HA H 112 4.142 4.417 -0.275 1
1 840 . 16 1 1 A 74 74 THR C C 112 172.029 173.709 -1.680 1
1 841 . 16 1 1 A 74 74 THR CA C 112 59.640 63.127 -3.487 1
1 842 . 16 1 1 A 74 74 THR CB C 112 66.820 68.286 -1.466 1
1 844 . 16 1 1 A 74 74 THR N N 112 112.950 110.336 2.614 1
1 845 . 16 1 1 A 75 75 VAL H H 113 7.840 8.499 -0.659 1
1 846 . 16 1 1 A 75 75 VAL HA H 113 3.950 4.280 -0.330 1
1 854 . 16 1 1 A 75 75 VAL C C 113 173.067 175.477 -2.410 1
1 855 . 16 1 1 A 75 75 VAL CA C 113 60.070 63.505 -3.435 1
1 856 . 16 1 1 A 75 75 VAL CB C 113 29.740 31.363 -1.623 1
1 859 . 16 1 1 A 75 75 VAL N N 113 121.540 121.323 0.217 1
1 860 . 16 1 1 A 76 76 SER H H 114 8.020 8.724 -0.704 1
1 861 . 16 1 1 A 76 76 SER HA H 114 3.974 3.905 0.069 1
1 864 . 16 1 1 A 76 76 SER C C 114 171.259 173.656 -2.397 1
1 865 . 16 1 1 A 76 76 SER CA C 114 55.100 59.053 -3.953 1
1 866 . 16 1 1 A 76 76 SER CB C 114 61.160 62.743 -1.583 1
1 867 . 16 1 1 A 76 76 SER N N 114 117.830 121.261 -3.431 1
1 868 . 16 1 1 A 77 77 TYR H H 115 7.770 7.190 0.580 1
1 869 . 16 1 1 A 77 77 TYR HA H 115 4.240 4.373 -0.133 1
1 874 . 16 1 1 A 77 77 TYR C C 115 172.865 174.593 -1.728 1
1 875 . 16 1 1 A 77 77 TYR CA C 115 55.100 57.890 -2.790 1
1 876 . 16 1 1 A 77 77 TYR CB C 115 36.110 39.429 -3.319 1
1 877 . 16 1 1 A 77 77 TYR N N 115 121.280 119.243 2.037 1
1 878 . 16 1 1 A 78 78 ASN HA H 116 4.790 4.260 0.530 1
1 883 . 16 1 1 A 78 78 ASN C C 116 172.080 174.680 -2.600 1
1 884 . 16 1 1 A 78 78 ASN CA C 116 48.910 52.542 -3.632 1
1 885 . 16 1 1 A 78 78 ASN CB C 116 35.500 41.523 -6.023 1
1 886 . 16 1 1 A 78 78 ASN N N 116 112.900 119.336 -6.436 1
1 887 . 16 1 1 A 79 79 PHE H H 117 7.410 7.606 -0.196 1
1 888 . 16 1 1 A 79 79 PHE HA H 117 4.440 4.250 0.190 1
1 895 . 16 1 1 A 79 79 PHE C C 117 174.370 176.607 -2.237 1
1 896 . 16 1 1 A 79 79 PHE CA C 117 56.890 60.034 -3.144 1
1 897 . 16 1 1 A 79 79 PHE CB C 117 34.540 38.314 -3.774 1
1 898 . 16 1 1 A 79 79 PHE N N 117 121.190 123.520 -2.330 1
1 899 . 16 1 1 A 80 80 ALA H H 118 8.560 7.402 1.158 1
1 900 . 16 1 1 A 80 80 ALA HA H 118 4.140 3.950 0.190 1
1 904 . 16 1 1 A 80 80 ALA C C 118 176.482 177.980 -1.498 1
1 905 . 16 1 1 A 80 80 ALA CA C 118 52.430 53.263 -0.833 1
1 906 . 16 1 1 A 80 80 ALA CB C 118 16.160 18.193 -2.033 1
1 907 . 16 1 1 A 80 80 ALA N N 118 115.100 121.110 -6.010 1
1 908 . 16 1 1 A 81 81 THR H H 119 7.330 7.704 -0.374 1
1 909 . 16 1 1 A 81 81 THR HA H 119 4.450 4.584 -0.134 1
1 914 . 16 1 1 A 81 81 THR C C 119 172.909 174.509 -1.600 1
1 915 . 16 1 1 A 81 81 THR CA C 119 59.270 62.992 -3.722 1
1 916 . 16 1 1 A 81 81 THR CB C 119 66.770 71.722 -4.952 1
1 918 . 16 1 1 A 81 81 THR N N 119 104.710 111.444 -6.734 1
1 919 . 16 1 1 A 82 82 GLU H H 120 7.890 8.496 -0.606 1
1 920 . 16 1 1 A 82 82 GLU HA H 120 4.260 4.512 -0.252 1
1 924 . 16 1 1 A 82 82 GLU C C 120 177.060 175.151 1.909 1
1 925 . 16 1 1 A 82 82 GLU CA C 120 54.740 55.273 -0.533 1
1 926 . 16 1 1 A 82 82 GLU N N 120 120.760 119.588 1.172 1
1 927 . 16 1 1 A 83 83 ILE H H 121 7.630 7.487 0.143 1
1 928 . 16 1 1 A 83 83 ILE HA H 121 3.330 3.462 -0.132 1
1 938 . 16 1 1 A 83 83 ILE CA C 121 57.580 60.475 -2.895 1
1 939 . 16 1 1 A 83 83 ILE CB C 121 35.770 36.568 -0.798 1
1 943 . 16 1 1 A 83 83 ILE N N 121 118.900 120.468 -1.568 1
1 944 . 16 1 1 A 84 84 PRO HA H 122 4.200 4.368 -0.168 1
1 951 . 16 1 1 A 84 84 PRO CA C 122 60.510 62.717 -2.207 1
1 952 . 16 1 1 A 84 84 PRO CB C 122 27.260 31.204 -3.944 1
1 955 . 16 1 1 A 86 86 THR HA H 124 3.869 4.033 -0.164 1
1 960 . 16 1 1 A 86 86 THR C C 124 172.991 176.623 -3.632 1
1 961 . 16 1 1 A 86 86 THR CA C 124 61.980 65.713 -3.733 1
1 962 . 16 1 1 A 86 86 THR CB C 124 65.710 68.561 -2.851 1
1 964 . 16 1 1 A 87 87 ILE H H 125 7.340 7.841 -0.501 1
1 965 . 16 1 1 A 87 87 ILE HA H 125 3.920 3.789 0.131 1
1 975 . 16 1 1 A 87 87 ILE C C 125 175.375 178.056 -2.681 1
1 976 . 16 1 1 A 87 87 ILE CA C 125 61.900 64.360 -2.460 1
1 977 . 16 1 1 A 87 87 ILE CB C 125 35.690 36.840 -1.150 1
1 981 . 16 1 1 A 87 87 ILE N N 125 120.800 121.622 -0.822 1
1 982 . 16 1 1 A 88 88 LEU HA H 126 4.070 4.127 -0.057 1
1 992 . 16 1 1 A 88 88 LEU C C 126 177.060 178.471 -1.411 1
1 993 . 16 1 1 A 88 88 LEU CA C 126 55.950 58.094 -2.144 1
1 994 . 16 1 1 A 88 88 LEU CB C 126 39.710 41.871 -2.161 1
1 998 . 16 1 1 A 89 89 LYS H H 127 8.095 8.138 -0.043 1
1 999 . 16 1 1 A 89 89 LYS HA H 127 4.030 4.070 -0.040 1
1 1008 . 16 1 1 A 89 89 LYS C C 127 176.400 178.108 -1.708 1
1 1009 . 16 1 1 A 89 89 LYS CA C 127 56.010 58.511 -2.501 1
1 1010 . 16 1 1 A 89 89 LYS CB C 127 29.650 32.500 -2.850 1
1 1014 . 16 1 1 A 89 89 LYS N N 127 116.100 119.273 -3.173 1
1 1015 . 16 1 1 A 90 90 LYS H H 128 7.848 8.339 -0.491 1
1 1016 . 16 1 1 A 90 90 LYS HA H 128 4.160 4.081 0.079 1
1 1019 . 16 1 1 A 90 90 LYS C C 128 174.859 178.910 -4.051 1
1 1020 . 16 1 1 A 90 90 LYS CA C 128 54.750 58.051 -3.301 1
1 1021 . 16 1 1 A 90 90 LYS CB C 128 29.280 32.609 -3.329 1
1 1022 . 16 1 1 A 90 90 LYS N N 128 119.230 118.707 0.523 1
1 1023 . 16 1 1 A 91 91 LEU H H 129 7.640 7.228 0.412 1
1 1024 . 16 1 1 A 91 91 LEU HA H 129 4.250 2.769 1.481 1
1 1034 . 16 1 1 A 91 91 LEU CA C 129 52.280 57.375 -5.095 1
1 1035 . 16 1 1 A 91 91 LEU CB C 129 39.000 40.726 -1.726 1
1 1039 . 16 1 1 A 91 91 LEU N N 129 112.650 121.602 -8.952 1
1 1040 . 16 1 1 A 92 92 ASN H H 130 7.560 7.507 0.053 1
1 1041 . 16 1 1 A 92 92 ASN HA H 130 4.300 3.366 0.934 1
1 1046 . 16 1 1 A 92 92 ASN C C 130 172.034 175.297 -3.263 1
1 1047 . 16 1 1 A 92 92 ASN CA C 130 55.070 57.157 -2.087 1
1 1048 . 16 1 1 A 92 92 ASN CB C 130 32.670 37.492 -4.822 1
1 1049 . 16 1 1 A 92 92 ASN N N 130 111.100 116.112 -5.012 1
1 1051 . 16 1 1 A 93 93 PRO HA H 131 4.220 4.298 -0.078 1
1 1058 . 16 1 1 A 93 93 PRO C C 131 173.540 177.896 -4.356 1
1 1059 . 16 1 1 A 93 93 PRO CA C 131 62.300 64.895 -2.595 1
1 1060 . 16 1 1 A 93 93 PRO CB C 131 28.140 31.685 -3.545 1
1 1062 . 16 1 1 A 94 94 TYR H H 132 7.630 7.986 -0.356 1
1 1063 . 16 1 1 A 94 94 TYR HA H 132 4.630 4.351 0.279 1
1 1068 . 16 1 1 A 94 94 TYR C C 132 172.700 176.455 -3.755 1
1 1069 . 16 1 1 A 94 94 TYR CA C 132 54.130 58.192 -4.062 1
1 1070 . 16 1 1 A 94 94 TYR CB C 132 36.500 39.162 -2.662 1
1 1071 . 16 1 1 A 94 94 TYR N N 132 114.100 117.825 -3.725 1
1 1072 . 16 1 1 A 95 95 ARG H H 133 7.250 8.579 -1.329 1
1 1073 . 16 1 1 A 95 95 ARG HA H 133 4.290 4.192 0.098 1
1 1081 . 16 1 1 A 95 95 ARG C C 133 173.763 178.925 -5.162 1
1 1082 . 16 1 1 A 95 95 ARG CA C 133 54.740 58.268 -3.528 1
1 1083 . 16 1 1 A 95 95 ARG CB C 133 27.880 30.724 -2.844 1
1 1086 . 16 1 1 A 95 95 ARG N N 133 119.390 122.625 -3.235 1
1 1088 . 16 1 1 A 96 96 LYS H H 134 8.658 7.618 1.040 1
1 1089 . 16 1 1 A 96 96 LYS HA H 134 4.490 3.985 0.505 1
1 1098 . 16 1 1 A 96 96 LYS C C 134 173.560 178.129 -4.569 1
1 1099 . 16 1 1 A 96 96 LYS CA C 134 52.580 58.837 -6.257 1
1 1100 . 16 1 1 A 96 96 LYS CB C 134 30.590 32.157 -1.567 1
1 1104 . 16 1 1 A 96 96 LYS N N 134 125.000 120.112 4.888 1
1 1105 . 16 1 1 A 97 97 MET H H 135 8.330 8.278 0.052 1
1 1106 . 16 1 1 A 97 97 MET HA H 135 4.420 4.588 -0.168 1
1 1114 . 16 1 1 A 97 97 MET C C 135 172.970 176.240 -3.270 1
1 1115 . 16 1 1 A 97 97 MET CA C 135 52.490 54.483 -1.993 1
1 1116 . 16 1 1 A 97 97 MET CB C 135 30.530 32.067 -1.537 1
1 1118 . 16 1 1 A 97 97 MET N N 135 120.890 113.461 7.429 1
1 1119 . 16 1 1 A 98 98 ALA H H 136 8.290 7.237 1.053 1
1 1120 . 16 1 1 A 98 98 ALA HA H 136 4.180 4.369 -0.189 1
1 1124 . 16 1 1 A 98 98 ALA C C 136 173.767 177.237 -3.470 1
1 1125 . 16 1 1 A 98 98 ALA CA C 136 49.750 51.017 -1.267 1
1 1126 . 16 1 1 A 98 98 ALA CB C 136 16.350 17.193 -0.843 1
1 1127 . 16 1 1 A 98 98 ALA N N 136 126.050 123.052 2.998 1
1 1 . 17 1 1 A 3 3 VAL HA H 41 3.360 3.691 -0.331 1
1 9 . 17 1 1 A 3 3 VAL CA C 41 64.070 65.613 -1.543 1
1 10 . 17 1 1 A 3 3 VAL CB C 41 28.620 31.564 -2.944 1
1 13 . 17 1 1 A 4 4 LYS H H 42 8.223 8.152 0.071 1
1 14 . 17 1 1 A 4 4 LYS HA H 42 3.610 4.037 -0.427 1
1 21 . 17 1 1 A 4 4 LYS C C 42 175.928 178.975 -3.047 1
1 22 . 17 1 1 A 4 4 LYS CA C 42 58.640 58.753 -0.113 1
1 23 . 17 1 1 A 4 4 LYS CB C 42 28.640 31.742 -3.102 1
1 25 . 17 1 1 A 4 4 LYS N N 42 118.080 120.721 -2.641 1
1 26 . 17 1 1 A 5 5 ARG H H 43 7.920 7.712 0.208 1
1 27 . 17 1 1 A 5 5 ARG HA H 43 4.060 4.086 -0.026 1
1 34 . 17 1 1 A 5 5 ARG C C 43 177.798 178.364 -0.566 1
1 35 . 17 1 1 A 5 5 ARG CA C 43 56.640 58.620 -1.980 1
1 36 . 17 1 1 A 5 5 ARG CB C 43 27.200 29.853 -2.653 1
1 38 . 17 1 1 A 5 5 ARG N N 43 117.720 119.706 -1.986 1
1 39 . 17 1 1 A 6 6 LEU H H 44 7.660 7.865 -0.205 1
1 40 . 17 1 1 A 6 6 LEU HA H 44 4.100 4.114 -0.014 1
1 50 . 17 1 1 A 6 6 LEU C C 44 176.114 178.537 -2.423 1
1 51 . 17 1 1 A 6 6 LEU CA C 44 55.100 57.089 -1.989 1
1 52 . 17 1 1 A 6 6 LEU CB C 44 39.570 42.404 -2.834 1
1 56 . 17 1 1 A 6 6 LEU N N 44 121.040 119.544 1.496 1
1 57 . 17 1 1 A 7 7 LEU H H 45 7.520 7.823 -0.303 1
1 58 . 17 1 1 A 7 7 LEU HA H 45 4.350 4.482 -0.132 1
1 68 . 17 1 1 A 7 7 LEU C C 45 172.937 178.583 -5.646 1
1 69 . 17 1 1 A 7 7 LEU CA C 45 51.480 55.023 -3.543 1
1 70 . 17 1 1 A 7 7 LEU CB C 45 40.300 43.056 -2.756 1
1 74 . 17 1 1 A 7 7 LEU N N 45 116.660 113.870 2.790 1
1 75 . 17 1 1 A 8 8 SER H H 46 7.840 8.803 -0.963 1
1 76 . 17 1 1 A 8 8 SER HA H 46 3.960 4.381 -0.421 1
1 79 . 17 1 1 A 8 8 SER CA C 46 56.360 60.993 -4.633 1
1 80 . 17 1 1 A 8 8 SER CB C 46 58.870 63.218 -4.348 1
1 81 . 17 1 1 A 8 8 SER N N 46 113.750 116.357 -2.607 1
1 82 . 17 1 1 A 9 9 ILE H H 47 8.290 7.587 0.703 1
1 83 . 17 1 1 A 9 9 ILE HA H 47 4.230 4.265 -0.035 1
1 93 . 17 1 1 A 9 9 ILE C C 47 174.540 176.212 -1.672 1
1 94 . 17 1 1 A 9 9 ILE CA C 47 58.680 62.720 -4.040 1
1 95 . 17 1 1 A 9 9 ILE CB C 47 36.912 39.245 -2.333 1
1 99 . 17 1 1 A 9 9 ILE N N 47 119.850 119.097 0.753 1
1 100 . 17 1 1 A 10 10 THR H H 48 8.760 8.038 0.722 1
1 101 . 17 1 1 A 10 10 THR HA H 48 4.465 4.417 0.048 1
1 106 . 17 1 1 A 10 10 THR C C 48 171.266 174.351 -3.085 1
1 107 . 17 1 1 A 10 10 THR CA C 48 58.390 60.628 -2.238 1
1 108 . 17 1 1 A 10 10 THR CB C 48 66.310 67.886 -1.576 1
1 110 . 17 1 1 A 10 10 THR N N 48 117.590 113.623 3.967 1
1 111 . 17 1 1 A 11 11 ASN H H 49 7.360 8.126 -0.766 1
1 112 . 17 1 1 A 11 11 ASN HA H 49 4.909 4.836 0.073 1
1 117 . 17 1 1 A 11 11 ASN C C 49 172.506 174.615 -2.109 1
1 118 . 17 1 1 A 11 11 ASN CA C 49 49.430 53.966 -4.536 1
1 119 . 17 1 1 A 11 11 ASN CB C 49 37.420 41.264 -3.844 1
1 120 . 17 1 1 A 11 11 ASN N N 49 113.560 124.555 -10.995 1
1 122 . 17 1 1 A 12 12 ASP H H 50 8.256 8.058 0.198 1
1 123 . 17 1 1 A 12 12 ASP HA H 50 4.650 4.600 0.050 1
1 126 . 17 1 1 A 12 12 ASP C C 50 176.400 177.307 -0.907 1
1 127 . 17 1 1 A 12 12 ASP CA C 50 51.210 53.879 -2.669 1
1 128 . 17 1 1 A 12 12 ASP CB C 50 38.080 42.145 -4.065 1
1 129 . 17 1 1 A 12 12 ASP N N 50 117.210 119.879 -2.669 1
1 130 . 17 1 1 A 13 13 LYS H H 51 7.895 8.824 -0.929 1
1 131 . 17 1 1 A 13 13 LYS HA H 51 3.840 4.000 -0.160 1
1 140 . 17 1 1 A 13 13 LYS C C 51 174.700 178.251 -3.551 1
1 141 . 17 1 1 A 13 13 LYS CA C 51 56.320 58.590 -2.270 1
1 142 . 17 1 1 A 13 13 LYS CB C 51 29.760 31.803 -2.043 1
1 146 . 17 1 1 A 13 13 LYS N N 51 120.500 121.782 -1.282 1
1 147 . 17 1 1 A 14 14 HIS H H 52 9.000 7.945 1.055 1
1 148 . 17 1 1 A 14 14 HIS HA H 52 5.120 4.525 0.595 1
1 152 . 17 1 1 A 14 14 HIS C C 52 173.200 176.964 -3.764 1
1 153 . 17 1 1 A 14 14 HIS CA C 52 52.370 59.060 -6.690 1
1 154 . 17 1 1 A 14 14 HIS CB C 52 27.520 28.843 -1.323 1
1 155 . 17 1 1 A 14 14 HIS N N 52 116.200 117.995 -1.795 1
1 156 . 17 1 1 A 15 15 ASP H H 53 7.640 8.222 -0.582 1
1 157 . 17 1 1 A 15 15 ASP HA H 53 4.120 4.309 -0.189 1
1 160 . 17 1 1 A 15 15 ASP C C 53 176.183 178.631 -2.448 1
1 161 . 17 1 1 A 15 15 ASP CA C 53 56.060 57.355 -1.295 1
1 162 . 17 1 1 A 15 15 ASP CB C 53 36.350 40.965 -4.615 1
1 163 . 17 1 1 A 15 15 ASP N N 53 122.780 121.120 1.660 1
1 164 . 17 1 1 A 16 16 GLU H H 54 8.890 7.663 1.227 1
1 165 . 17 1 1 A 16 16 GLU HA H 54 4.020 3.956 0.064 1
1 170 . 17 1 1 A 16 16 GLU CA C 54 57.770 59.120 -1.350 1
1 171 . 17 1 1 A 16 16 GLU CB C 54 26.330 29.373 -3.043 1
1 173 . 17 1 1 A 16 16 GLU N N 54 122.770 119.000 3.770 1
1 174 . 17 1 1 A 17 17 TYR H H 55 8.130 8.247 -0.117 1
1 175 . 17 1 1 A 17 17 TYR HA H 55 4.390 4.152 0.238 1
1 180 . 17 1 1 A 17 17 TYR C C 55 175.213 177.529 -2.316 1
1 181 . 17 1 1 A 17 17 TYR CA C 55 58.150 61.468 -3.318 1
1 182 . 17 1 1 A 17 17 TYR CB C 55 36.000 38.454 -2.454 1
1 185 . 17 1 1 A 17 17 TYR N N 55 121.000 122.527 -1.527 1
1 186 . 17 1 1 A 18 18 LEU H H 56 8.740 8.718 0.022 1
1 187 . 17 1 1 A 18 18 LEU HA H 56 3.710 4.026 -0.316 1
1 197 . 17 1 1 A 18 18 LEU C C 56 175.500 178.432 -2.932 1
1 198 . 17 1 1 A 18 18 LEU CA C 56 55.470 58.408 -2.938 1
1 199 . 17 1 1 A 18 18 LEU CB C 56 39.920 41.937 -2.017 1
1 203 . 17 1 1 A 18 18 LEU N N 56 118.100 120.731 -2.631 1
1 204 . 17 1 1 A 19 19 THR H H 57 8.420 8.067 0.353 1
1 205 . 17 1 1 A 19 19 THR HA H 57 3.820 3.879 -0.059 1
1 210 . 17 1 1 A 19 19 THR C C 57 172.234 177.234 -5.000 1
1 211 . 17 1 1 A 19 19 THR CA C 57 64.220 65.826 -1.606 1
1 212 . 17 1 1 A 19 19 THR CB C 57 66.050 68.197 -2.147 1
1 214 . 17 1 1 A 19 19 THR N N 57 114.940 111.544 3.396 1
1 215 . 17 1 1 A 20 20 GLU H H 58 7.087 7.782 -0.695 1
1 216 . 17 1 1 A 20 20 GLU HA H 58 4.320 3.828 0.492 1
1 221 . 17 1 1 A 20 20 GLU C C 58 175.554 179.080 -3.526 1
1 222 . 17 1 1 A 20 20 GLU CA C 58 55.170 59.576 -4.406 1
1 223 . 17 1 1 A 20 20 GLU CB C 58 27.920 29.304 -1.384 1
1 225 . 17 1 1 A 20 20 GLU N N 58 117.800 122.352 -4.552 1
1 226 . 17 1 1 A 21 21 MET H H 59 8.320 7.357 0.963 1
1 227 . 17 1 1 A 21 21 MET HA H 59 4.330 2.946 1.384 1
1 235 . 17 1 1 A 21 21 MET C C 59 175.330 178.376 -3.046 1
1 236 . 17 1 1 A 21 21 MET CA C 59 54.270 58.093 -3.823 1
1 237 . 17 1 1 A 21 21 MET CB C 59 30.620 31.899 -1.279 1
1 240 . 17 1 1 A 21 21 MET N N 59 116.300 119.215 -2.915 1
1 241 . 17 1 1 A 22 22 VAL H H 60 8.800 7.860 0.940 1
1 242 . 17 1 1 A 22 22 VAL HA H 60 3.630 3.425 0.205 1
1 250 . 17 1 1 A 22 22 VAL C C 60 172.042 174.459 -2.417 1
1 251 . 17 1 1 A 22 22 VAL CA C 60 66.980 67.245 -0.265 1
1 252 . 17 1 1 A 22 22 VAL CB C 60 26.120 29.307 -3.187 1
1 255 . 17 1 1 A 22 22 VAL N N 60 117.600 119.047 -1.447 1
1 256 . 17 1 1 A 23 23 PRO HA H 61 4.270 4.296 -0.026 1
1 263 . 17 1 1 A 23 23 PRO C C 61 177.110 178.894 -1.784 1
1 264 . 17 1 1 A 23 23 PRO CA C 61 63.460 65.239 -1.779 1
1 265 . 17 1 1 A 23 23 PRO CB C 61 28.400 31.174 -2.774 1
1 267 . 17 1 1 A 24 24 LEU H H 62 6.700 6.934 -0.234 1
1 268 . 17 1 1 A 24 24 LEU HA H 62 4.250 3.892 0.358 1
1 278 . 17 1 1 A 24 24 LEU C C 62 177.872 179.041 -1.169 1
1 279 . 17 1 1 A 24 24 LEU CA C 62 55.130 57.563 -2.433 1
1 280 . 17 1 1 A 24 24 LEU CB C 62 39.440 41.528 -2.088 1
1 284 . 17 1 1 A 24 24 LEU N N 62 115.750 117.502 -1.752 1
1 285 . 17 1 1 A 25 25 LEU H H 63 8.190 7.631 0.559 1
1 286 . 17 1 1 A 25 25 LEU HA H 63 3.920 4.143 -0.223 1
1 296 . 17 1 1 A 25 25 LEU C C 63 176.367 178.407 -2.040 1
1 297 . 17 1 1 A 25 25 LEU CA C 63 54.950 58.251 -3.301 1
1 298 . 17 1 1 A 25 25 LEU CB C 63 41.090 41.879 -0.789 1
1 302 . 17 1 1 A 25 25 LEU N N 63 121.800 120.088 1.712 1
1 303 . 17 1 1 A 26 26 VAL H H 64 8.590 8.622 -0.032 1
1 304 . 17 1 1 A 26 26 VAL HA H 64 3.480 3.872 -0.392 1
1 312 . 17 1 1 A 26 26 VAL C C 64 174.801 177.515 -2.714 1
1 313 . 17 1 1 A 26 26 VAL CA C 64 64.860 65.325 -0.465 1
1 314 . 17 1 1 A 26 26 VAL CB C 64 28.900 31.487 -2.587 1
1 317 . 17 1 1 A 26 26 VAL N N 64 120.990 118.571 2.419 1
1 318 . 17 1 1 A 27 27 GLU H H 65 8.090 8.122 -0.032 1
1 319 . 17 1 1 A 27 27 GLU HA H 65 3.970 3.375 0.595 1
1 324 . 17 1 1 A 27 27 GLU C C 65 176.169 178.804 -2.635 1
1 325 . 17 1 1 A 27 27 GLU CA C 65 56.990 58.752 -1.762 1
1 326 . 17 1 1 A 27 27 GLU CB C 65 26.540 29.470 -2.930 1
1 328 . 17 1 1 A 27 27 GLU N N 65 118.990 122.138 -3.148 1
1 329 . 17 1 1 A 28 28 PHE H H 66 8.075 7.777 0.298 1
1 330 . 17 1 1 A 28 28 PHE HA H 66 4.570 4.204 0.366 1
1 337 . 17 1 1 A 28 28 PHE C C 66 173.482 177.375 -3.893 1
1 338 . 17 1 1 A 28 28 PHE CA C 66 58.390 60.964 -2.574 1
1 339 . 17 1 1 A 28 28 PHE CB C 66 36.680 39.281 -2.601 1
1 340 . 17 1 1 A 28 28 PHE N N 66 119.000 122.125 -3.125 1
1 341 . 17 1 1 A 29 29 ALA H H 67 8.420 8.622 -0.202 1
1 342 . 17 1 1 A 29 29 ALA HA H 67 3.500 3.745 -0.245 1
1 346 . 17 1 1 A 29 29 ALA C C 67 176.624 179.564 -2.940 1
1 347 . 17 1 1 A 29 29 ALA CA C 67 52.800 54.749 -1.949 1
1 348 . 17 1 1 A 29 29 ALA CB C 67 15.290 18.204 -2.914 1
1 349 . 17 1 1 A 29 29 ALA N N 67 121.810 120.991 0.819 1
1 350 . 17 1 1 A 30 30 LYS H H 68 8.227 7.754 0.473 1
1 351 . 17 1 1 A 30 30 LYS HA H 68 4.090 4.010 0.080 1
1 360 . 17 1 1 A 30 30 LYS C C 68 177.400 178.970 -1.570 1
1 361 . 17 1 1 A 30 30 LYS CA C 68 56.700 58.764 -2.064 1
1 362 . 17 1 1 A 30 30 LYS CB C 68 31.230 31.628 -0.398 1
1 366 . 17 1 1 A 30 30 LYS N N 68 117.500 117.859 -0.359 1
1 367 . 17 1 1 A 31 31 ASP H H 69 7.820 8.092 -0.272 1
1 368 . 17 1 1 A 31 31 ASP HA H 69 4.210 4.765 -0.555 1
1 371 . 17 1 1 A 31 31 ASP C C 69 176.438 177.908 -1.470 1
1 372 . 17 1 1 A 31 31 ASP CA C 69 54.310 56.721 -2.411 1
1 373 . 17 1 1 A 31 31 ASP CB C 69 38.320 39.758 -1.438 1
1 374 . 17 1 1 A 31 31 ASP N N 69 120.370 117.035 3.335 1
1 375 . 17 1 1 A 32 32 GLU H H 70 8.840 8.853 -0.013 1
1 376 . 17 1 1 A 32 32 GLU HA H 70 3.730 4.171 -0.441 1
1 381 . 17 1 1 A 32 32 GLU C C 70 176.119 177.144 -1.025 1
1 382 . 17 1 1 A 32 32 GLU CA C 70 55.270 58.293 -3.023 1
1 383 . 17 1 1 A 32 32 GLU CB C 70 26.810 27.995 -1.185 1
1 385 . 17 1 1 A 32 32 GLU N N 70 120.750 117.806 2.944 1
1 386 . 17 1 1 A 33 33 CYS H H 71 7.960 8.043 -0.083 1
1 387 . 17 1 1 A 33 33 CYS HA H 71 4.070 4.666 -0.596 1
1 390 . 17 1 1 A 33 33 CYS C C 71 170.993 174.877 -3.884 1
1 391 . 17 1 1 A 33 33 CYS CA C 71 58.160 59.136 -0.976 1
1 392 . 17 1 1 A 33 33 CYS CB C 71 26.000 27.775 -1.775 1
1 393 . 17 1 1 A 33 33 CYS N N 71 111.530 118.767 -7.237 1
1 394 . 17 1 1 A 34 34 HIS H H 72 7.560 8.137 -0.577 1
1 395 . 17 1 1 A 34 34 HIS HA H 72 4.040 4.115 -0.075 1
1 398 . 17 1 1 A 34 34 HIS C C 72 170.400 174.281 -3.881 1
1 399 . 17 1 1 A 34 34 HIS CA C 72 53.230 59.193 -5.963 1
1 400 . 17 1 1 A 34 34 HIS CB C 72 23.830 27.483 -3.653 1
1 401 . 17 1 1 A 34 34 HIS N N 72 118.100 115.840 2.260 1
1 402 . 17 1 1 A 35 35 ASN H H 73 7.590 7.871 -0.281 1
1 403 . 17 1 1 A 35 35 ASN HA H 73 4.805 4.766 0.039 1
1 408 . 17 1 1 A 35 35 ASN C C 73 170.429 175.438 -5.009 1
1 409 . 17 1 1 A 35 35 ASN CA C 73 46.130 51.185 -5.055 1
1 410 . 17 1 1 A 35 35 ASN CB C 73 39.580 39.047 0.533 1
1 411 . 17 1 1 A 35 35 ASN N N 73 112.400 117.696 -5.296 1
1 413 . 17 1 1 A 36 36 PRO HA H 74 4.120 4.044 0.076 1
1 420 . 17 1 1 A 36 36 PRO C C 74 173.450 176.945 -3.495 1
1 421 . 17 1 1 A 36 36 PRO CA C 74 59.950 63.148 -3.198 1
1 422 . 17 1 1 A 36 36 PRO CB C 74 29.200 32.111 -2.911 1
1 425 . 17 1 1 A 37 37 PHE H H 75 8.057 7.613 0.444 1
1 426 . 17 1 1 A 37 37 PHE HA H 75 4.200 4.152 0.048 1
1 432 . 17 1 1 A 37 37 PHE C C 75 171.107 174.518 -3.411 1
1 433 . 17 1 1 A 37 37 PHE CA C 75 55.120 58.797 -3.677 1
1 434 . 17 1 1 A 37 37 PHE CB C 75 33.760 36.709 -2.949 1
1 436 . 17 1 1 A 38 38 ILE H H 76 7.610 7.340 0.270 1
1 437 . 17 1 1 A 38 38 ILE HA H 76 4.870 4.778 0.092 1
1 447 . 17 1 1 A 38 38 ILE C C 76 174.180 174.269 -0.089 1
1 448 . 17 1 1 A 38 38 ILE CA C 76 56.300 59.786 -3.486 1
1 449 . 17 1 1 A 38 38 ILE CB C 76 38.040 40.939 -2.899 1
1 453 . 17 1 1 A 38 38 ILE N N 76 113.800 119.613 -5.813 1
1 454 . 17 1 1 A 39 39 ASP H H 77 8.830 8.938 -0.108 1
1 455 . 17 1 1 A 39 39 ASP HA H 77 4.710 4.920 -0.210 1
1 458 . 17 1 1 A 39 39 ASP C C 77 175.969 177.279 -1.310 1
1 459 . 17 1 1 A 39 39 ASP CA C 77 49.800 53.011 -3.211 1
1 460 . 17 1 1 A 39 39 ASP CB C 77 39.180 43.648 -4.468 1
1 461 . 17 1 1 A 39 39 ASP N N 77 125.380 125.646 -0.266 1
1 462 . 17 1 1 A 40 40 LYS H H 78 8.370 9.034 -0.664 1
1 463 . 17 1 1 A 40 40 LYS HA H 78 4.100 4.088 0.012 1
1 468 . 17 1 1 A 40 40 LYS C C 78 174.100 176.655 -2.555 1
1 469 . 17 1 1 A 40 40 LYS CA C 78 55.800 58.954 -3.154 1
1 470 . 17 1 1 A 40 40 LYS CB C 78 29.120 31.898 -2.778 1
1 471 . 17 1 1 A 40 40 LYS N N 78 116.800 121.441 -4.641 1
1 472 . 17 1 1 A 41 41 ASP H H 79 8.030 7.989 0.041 1
1 473 . 17 1 1 A 41 41 ASP HA H 79 4.810 4.725 0.085 1
1 476 . 17 1 1 A 41 41 ASP C C 79 173.360 176.724 -3.364 1
1 477 . 17 1 1 A 41 41 ASP CA C 79 51.650 53.746 -2.096 1
1 478 . 17 1 1 A 41 41 ASP CB C 79 39.570 41.604 -2.034 1
1 479 . 17 1 1 A 41 41 ASP N N 79 118.660 117.980 0.680 1
1 480 . 17 1 1 A 42 42 GLY H H 80 8.090 8.446 -0.356 1
1 481 . 17 1 1 A 42 42 GLY HA2 H 80 4.230 3.919 0.311 1
1 482 . 17 1 1 A 42 42 GLY HA3 H 80 3.490 3.922 -0.432 1
1 483 . 17 1 1 A 42 42 GLY C C 80 171.399 174.446 -3.047 1
1 484 . 17 1 1 A 42 42 GLY CA C 80 42.720 45.900 -3.180 1
1 485 . 17 1 1 A 42 42 GLY N N 80 107.750 109.153 -1.403 1
1 486 . 17 1 1 A 43 43 ASN H H 81 8.470 8.137 0.333 1
1 487 . 17 1 1 A 43 43 ASN HA H 81 4.815 4.935 -0.120 1
1 492 . 17 1 1 A 43 43 ASN C C 81 172.066 175.701 -3.635 1
1 493 . 17 1 1 A 43 43 ASN CA C 81 49.580 52.859 -3.279 1
1 494 . 17 1 1 A 43 43 ASN CB C 81 36.800 39.551 -2.751 1
1 495 . 17 1 1 A 43 43 ASN N N 81 117.600 119.061 -1.461 1
1 497 . 17 1 1 A 44 44 GLU H H 82 8.730 8.474 0.256 1
1 498 . 17 1 1 A 44 44 GLU HA H 82 4.370 4.371 -0.001 1
1 503 . 17 1 1 A 44 44 GLU C C 82 173.651 175.810 -2.159 1
1 504 . 17 1 1 A 44 44 GLU CA C 82 55.170 56.774 -1.604 1
1 505 . 17 1 1 A 44 44 GLU CB C 82 27.740 30.081 -2.341 1
1 507 . 17 1 1 A 44 44 GLU N N 82 123.400 121.239 2.161 1
1 508 . 17 1 1 A 45 45 SER H H 83 8.960 9.310 -0.350 1
1 509 . 17 1 1 A 45 45 SER HA H 83 4.510 4.965 -0.455 1
1 512 . 17 1 1 A 45 45 SER C C 83 170.100 173.242 -3.142 1
1 513 . 17 1 1 A 45 45 SER CA C 83 53.800 56.906 -3.106 1
1 514 . 17 1 1 A 45 45 SER CB C 83 60.320 64.124 -3.804 1
1 515 . 17 1 1 A 45 45 SER N N 83 123.400 118.536 4.864 1
1 516 . 17 1 1 A 46 46 ILE H H 84 8.990 8.927 0.063 1
1 517 . 17 1 1 A 46 46 ILE HA H 84 3.880 4.676 -0.796 1
1 527 . 17 1 1 A 46 46 ILE C C 84 177.600 174.226 3.374 1
1 528 . 17 1 1 A 46 46 ILE CA C 84 55.490 58.107 -2.617 1
1 529 . 17 1 1 A 46 46 ILE CB C 84 34.850 39.568 -4.718 1
1 533 . 17 1 1 A 46 46 ILE N N 84 127.800 128.642 -0.842 1
1 534 . 17 1 1 A 47 47 PRO HA H 85 3.840 4.680 -0.840 1
1 541 . 17 1 1 A 47 47 PRO C C 85 172.918 177.435 -4.517 1
1 542 . 17 1 1 A 47 47 PRO CA C 85 61.880 62.429 -0.549 1
1 543 . 17 1 1 A 47 47 PRO CB C 85 34.920 33.148 1.772 1
1 546 . 17 1 1 A 48 48 SER H H 86 7.780 8.697 -0.917 1
1 547 . 17 1 1 A 48 48 SER C C 86 174.554 176.912 -2.358 1
1 548 . 17 1 1 A 49 49 GLY H H 87 8.230 8.431 -0.201 1
1 549 . 17 1 1 A 49 49 GLY HA2 H 87 4.300 3.723 0.577 1
1 550 . 17 1 1 A 49 49 GLY HA3 H 87 3.950 3.728 0.222 1
1 551 . 17 1 1 A 49 49 GLY C C 87 173.507 176.009 -2.502 1
1 552 . 17 1 1 A 49 49 GLY CA C 87 44.600 47.435 -2.835 1
1 553 . 17 1 1 A 49 49 GLY N N 87 105.900 109.345 -3.445 1
1 554 . 17 1 1 A 50 50 VAL H H 88 6.855 8.446 -1.591 1
1 555 . 17 1 1 A 50 50 VAL HA H 88 3.510 4.217 -0.707 1
1 563 . 17 1 1 A 50 50 VAL C C 88 174.450 178.165 -3.715 1
1 564 . 17 1 1 A 50 50 VAL CA C 88 62.420 64.789 -2.369 1
1 565 . 17 1 1 A 50 50 VAL CB C 88 28.000 31.763 -3.763 1
1 568 . 17 1 1 A 50 50 VAL N N 88 119.950 122.655 -2.705 1
1 569 . 17 1 1 A 51 51 LEU H H 89 7.360 7.882 -0.522 1
1 570 . 17 1 1 A 51 51 LEU HA H 89 3.570 4.111 -0.541 1
1 580 . 17 1 1 A 51 51 LEU C C 89 175.078 178.304 -3.226 1
1 581 . 17 1 1 A 51 51 LEU CA C 89 55.490 58.139 -2.649 1
1 582 . 17 1 1 A 51 51 LEU CB C 89 37.320 41.669 -4.349 1
1 586 . 17 1 1 A 51 51 LEU N N 89 122.100 122.326 -0.226 1
1 587 . 17 1 1 A 52 52 ILE H H 90 7.770 7.705 0.065 1
1 588 . 17 1 1 A 52 52 ILE HA H 90 3.600 3.866 -0.266 1
1 598 . 17 1 1 A 52 52 ILE C C 90 175.000 178.095 -3.095 1
1 599 . 17 1 1 A 52 52 ILE CA C 90 62.720 64.471 -1.751 1
1 600 . 17 1 1 A 52 52 ILE CB C 90 34.510 37.317 -2.807 1
1 604 . 17 1 1 A 52 52 ILE N N 90 117.460 115.548 1.912 1
1 605 . 17 1 1 A 53 53 PHE H H 91 7.400 8.165 -0.765 1
1 606 . 17 1 1 A 53 53 PHE HA H 91 3.900 4.276 -0.376 1
1 613 . 17 1 1 A 53 53 PHE C C 91 172.073 177.177 -5.104 1
1 614 . 17 1 1 A 53 53 PHE CA C 91 59.340 61.511 -2.171 1
1 615 . 17 1 1 A 53 53 PHE CB C 91 35.540 39.320 -3.780 1
1 616 . 17 1 1 A 53 53 PHE N N 91 119.280 124.578 -5.298 1
1 617 . 17 1 1 A 54 54 VAL H H 92 8.450 7.878 0.572 1
1 618 . 17 1 1 A 54 54 VAL HA H 92 2.850 3.452 -0.602 1
1 626 . 17 1 1 A 54 54 VAL C C 92 174.300 177.861 -3.561 1
1 627 . 17 1 1 A 54 54 VAL CA C 92 63.860 65.253 -1.393 1
1 628 . 17 1 1 A 54 54 VAL CB C 92 28.570 30.986 -2.416 1
1 631 . 17 1 1 A 54 54 VAL N N 92 119.170 118.452 0.718 1
1 632 . 17 1 1 A 55 55 ALA H H 93 8.615 7.972 0.643 1
1 633 . 17 1 1 A 55 55 ALA HA H 93 3.750 3.899 -0.149 1
1 637 . 17 1 1 A 55 55 ALA C C 93 176.294 179.514 -3.220 1
1 638 . 17 1 1 A 55 55 ALA CA C 93 52.800 55.627 -2.827 1
1 639 . 17 1 1 A 55 55 ALA CB C 93 16.050 18.315 -2.265 1
1 640 . 17 1 1 A 55 55 ALA N N 93 120.170 123.636 -3.466 1
1 641 . 17 1 1 A 56 56 LYS H H 94 8.548 8.035 0.513 1
1 642 . 17 1 1 A 56 56 LYS HA H 94 3.980 4.268 -0.288 1
1 649 . 17 1 1 A 56 56 LYS C C 94 177.600 179.118 -1.518 1
1 650 . 17 1 1 A 56 56 LYS CA C 94 55.800 59.127 -3.327 1
1 651 . 17 1 1 A 56 56 LYS CB C 94 29.500 32.114 -2.614 1
1 654 . 17 1 1 A 56 56 LYS N N 94 115.200 116.412 -1.212 1
1 655 . 17 1 1 A 57 57 ALA H H 95 8.840 8.198 0.642 1
1 656 . 17 1 1 A 57 57 ALA HA H 95 3.940 4.292 -0.352 1
1 660 . 17 1 1 A 57 57 ALA C C 95 175.754 180.250 -4.496 1
1 661 . 17 1 1 A 57 57 ALA CA C 95 52.670 55.312 -2.642 1
1 662 . 17 1 1 A 57 57 ALA CB C 95 16.070 18.070 -2.000 1
1 663 . 17 1 1 A 57 57 ALA N N 95 124.210 121.932 2.278 1
1 664 . 17 1 1 A 58 58 ALA H H 96 8.816 7.611 1.205 1
1 665 . 17 1 1 A 58 58 ALA HA H 96 4.043 4.242 -0.199 1
1 669 . 17 1 1 A 58 58 ALA C C 96 177.600 179.816 -2.216 1
1 670 . 17 1 1 A 58 58 ALA CA C 96 52.770 54.836 -2.066 1
1 671 . 17 1 1 A 58 58 ALA CB C 96 13.560 18.498 -4.938 1
1 672 . 17 1 1 A 58 58 ALA N N 96 120.500 120.252 0.248 1
1 673 . 17 1 1 A 59 59 GLN H H 97 8.490 8.018 0.472 1
1 674 . 17 1 1 A 59 59 GLN HA H 97 3.960 4.072 -0.112 1
1 681 . 17 1 1 A 59 59 GLN C C 97 175.100 178.102 -3.002 1
1 682 . 17 1 1 A 59 59 GLN CA C 97 56.370 58.309 -1.939 1
1 683 . 17 1 1 A 59 59 GLN CB C 97 26.500 27.677 -1.177 1
1 684 . 17 1 1 A 59 59 GLN N N 97 118.750 116.247 2.503 1
1 686 . 17 1 1 A 60 60 PHE H H 98 8.020 7.692 0.328 1
1 687 . 17 1 1 A 60 60 PHE HA H 98 4.120 4.279 -0.159 1
1 694 . 17 1 1 A 60 60 PHE C C 98 174.780 178.457 -3.677 1
1 695 . 17 1 1 A 60 60 PHE CA C 98 58.650 60.485 -1.835 1
1 696 . 17 1 1 A 60 60 PHE CB C 98 35.240 38.949 -3.709 1
1 697 . 17 1 1 A 60 60 PHE N N 98 122.380 118.373 4.007 1
1 698 . 17 1 1 A 61 61 TYR H H 99 7.900 8.178 -0.278 1
1 699 . 17 1 1 A 61 61 TYR HA H 99 3.900 4.228 -0.328 1
1 704 . 17 1 1 A 61 61 TYR C C 99 175.494 178.197 -2.703 1
1 705 . 17 1 1 A 61 61 TYR CA C 99 60.600 61.730 -1.130 1
1 706 . 17 1 1 A 61 61 TYR CB C 99 36.120 38.499 -2.379 1
1 707 . 17 1 1 A 61 61 TYR N N 99 118.100 119.575 -1.475 1
1 708 . 17 1 1 A 62 62 MET H H 100 8.170 8.483 -0.313 1
1 709 . 17 1 1 A 62 62 MET HA H 100 3.810 4.482 -0.672 1
1 717 . 17 1 1 A 62 62 MET C C 100 175.130 178.552 -3.422 1
1 718 . 17 1 1 A 62 62 MET CA C 100 56.270 57.984 -1.714 1
1 719 . 17 1 1 A 62 62 MET CB C 100 31.260 32.136 -0.876 1
1 722 . 17 1 1 A 62 62 MET N N 100 118.350 119.361 -1.011 1
1 723 . 17 1 1 A 63 63 THR H H 101 7.720 7.870 -0.150 1
1 724 . 17 1 1 A 63 63 THR HA H 101 4.120 4.095 0.025 1
1 729 . 17 1 1 A 63 63 THR C C 101 172.265 174.983 -2.718 1
1 730 . 17 1 1 A 63 63 THR CA C 101 60.060 63.583 -3.523 1
1 731 . 17 1 1 A 63 63 THR CB C 101 66.880 69.743 -2.863 1
1 733 . 17 1 1 A 63 63 THR N N 101 110.720 110.874 -0.154 1
1 734 . 17 1 1 A 64 64 ASN H H 102 7.620 8.200 -0.580 1
1 735 . 17 1 1 A 64 64 ASN HA H 102 4.541 4.358 0.183 1
1 740 . 17 1 1 A 64 64 ASN C C 102 172.591 175.724 -3.133 1
1 741 . 17 1 1 A 64 64 ASN CA C 102 51.480 53.860 -2.380 1
1 742 . 17 1 1 A 64 64 ASN CB C 102 36.830 36.991 -0.161 1
1 743 . 17 1 1 A 64 64 ASN N N 102 114.000 119.426 -5.426 1
1 745 . 17 1 1 A 65 65 ALA H H 103 8.060 8.061 -0.001 1
1 746 . 17 1 1 A 65 65 ALA HA H 103 4.183 4.204 -0.021 1
1 750 . 17 1 1 A 65 65 ALA C C 103 176.032 178.018 -1.986 1
1 751 . 17 1 1 A 65 65 ALA CA C 103 51.130 51.636 -0.506 1
1 752 . 17 1 1 A 65 65 ALA CB C 103 16.230 18.248 -2.018 1
1 753 . 17 1 1 A 65 65 ALA N N 103 123.910 121.056 2.854 1
1 754 . 17 1 1 A 66 66 GLY H H 104 8.220 7.881 0.339 1
1 755 . 17 1 1 A 66 66 GLY HA2 H 104 3.883 3.950 -0.067 1
1 756 . 17 1 1 A 66 66 GLY C C 104 172.222 174.972 -2.750 1
1 757 . 17 1 1 A 66 66 GLY CA C 104 43.170 46.127 -2.957 1
1 758 . 17 1 1 A 66 66 GLY N N 104 106.420 106.718 -0.298 1
1 759 . 17 1 1 A 67 67 LEU H H 105 7.890 7.836 0.054 1
1 760 . 17 1 1 A 67 67 LEU HA H 105 4.290 4.600 -0.310 1
1 770 . 17 1 1 A 67 67 LEU C C 105 175.406 176.693 -1.287 1
1 771 . 17 1 1 A 67 67 LEU CA C 105 53.110 55.234 -2.124 1
1 772 . 17 1 1 A 67 67 LEU CB C 105 39.740 43.683 -3.943 1
1 776 . 17 1 1 A 67 67 LEU N N 105 120.570 118.401 2.169 1
1 777 . 17 1 1 A 68 68 THR H H 106 7.940 7.880 0.060 1
1 778 . 17 1 1 A 68 68 THR HA H 106 4.330 4.514 -0.184 1
1 783 . 17 1 1 A 68 68 THR C C 106 172.806 175.647 -2.841 1
1 784 . 17 1 1 A 68 68 THR CA C 106 59.700 61.128 -1.428 1
1 785 . 17 1 1 A 68 68 THR CB C 106 67.140 69.514 -2.374 1
1 787 . 17 1 1 A 68 68 THR N N 106 111.750 113.244 -1.494 1
1 788 . 17 1 1 A 69 69 GLY H H 107 8.340 8.326 0.014 1
1 789 . 17 1 1 A 69 69 GLY HA2 H 107 3.940 3.925 0.015 1
1 790 . 17 1 1 A 69 69 GLY C C 107 171.503 174.509 -3.006 1
1 791 . 17 1 1 A 69 69 GLY CA C 107 42.990 45.512 -2.522 1
1 792 . 17 1 1 A 69 69 GLY N N 107 110.910 109.705 1.205 1
1 793 . 17 1 1 A 70 70 ARG H H 108 7.930 7.631 0.299 1
1 794 . 17 1 1 A 70 70 ARG HA H 108 4.355 4.473 -0.118 1
1 801 . 17 1 1 A 70 70 ARG C C 108 173.543 175.847 -2.304 1
1 802 . 17 1 1 A 70 70 ARG CA C 108 53.170 55.152 -1.982 1
1 803 . 17 1 1 A 70 70 ARG CB C 108 28.470 30.001 -1.531 1
1 806 . 17 1 1 A 70 70 ARG N N 108 119.900 118.471 1.429 1
1 807 . 17 1 1 A 71 71 SER H H 109 8.400 8.182 0.218 1
1 808 . 17 1 1 A 71 71 SER HA H 109 4.409 4.176 0.233 1
1 811 . 17 1 1 A 71 71 SER C C 109 172.430 174.105 -1.675 1
1 812 . 17 1 1 A 71 71 SER CA C 109 55.630 59.568 -3.938 1
1 813 . 17 1 1 A 71 71 SER CB C 109 61.060 61.007 0.053 1
1 814 . 17 1 1 A 71 71 SER N N 109 116.970 112.812 4.158 1
1 815 . 17 1 1 A 72 72 MET H H 110 8.590 7.968 0.622 1
1 816 . 17 1 1 A 72 72 MET HA H 110 4.394 4.653 -0.259 1
1 822 . 17 1 1 A 72 72 MET C C 110 173.487 175.242 -1.755 1
1 823 . 17 1 1 A 72 72 MET CA C 110 53.320 54.712 -1.392 1
1 824 . 17 1 1 A 72 72 MET CB C 110 29.300 30.663 -1.363 1
1 825 . 17 1 1 A 72 72 MET N N 110 122.250 120.477 1.773 1
1 826 . 17 1 1 A 73 73 ASP H H 111 8.260 8.107 0.153 1
1 827 . 17 1 1 A 73 73 ASP HA H 111 4.514 4.997 -0.483 1
1 830 . 17 1 1 A 73 73 ASP C C 111 173.886 175.172 -1.286 1
1 831 . 17 1 1 A 73 73 ASP CA C 111 52.150 54.092 -1.942 1
1 832 . 17 1 1 A 73 73 ASP CB C 111 38.310 38.712 -0.402 1
1 833 . 17 1 1 A 73 73 ASP N N 111 119.420 121.379 -1.959 1
1 834 . 17 1 1 A 74 74 THR H H 112 7.900 8.216 -0.316 1
1 835 . 17 1 1 A 74 74 THR HA H 112 4.142 4.871 -0.729 1
1 840 . 17 1 1 A 74 74 THR C C 112 172.029 172.870 -0.841 1
1 841 . 17 1 1 A 74 74 THR CA C 112 59.640 61.563 -1.923 1
1 842 . 17 1 1 A 74 74 THR CB C 112 66.820 71.017 -4.197 1
1 844 . 17 1 1 A 74 74 THR N N 112 112.950 110.517 2.433 1
1 845 . 17 1 1 A 75 75 VAL H H 113 7.840 8.690 -0.850 1
1 846 . 17 1 1 A 75 75 VAL HA H 113 3.950 4.382 -0.432 1
1 854 . 17 1 1 A 75 75 VAL C C 113 173.067 174.306 -1.239 1
1 855 . 17 1 1 A 75 75 VAL CA C 113 60.070 60.318 -0.248 1
1 856 . 17 1 1 A 75 75 VAL CB C 113 29.740 34.223 -4.483 1
1 859 . 17 1 1 A 75 75 VAL N N 113 121.540 121.903 -0.363 1
1 860 . 17 1 1 A 76 76 SER H H 114 8.020 8.625 -0.605 1
1 861 . 17 1 1 A 76 76 SER HA H 114 3.974 4.550 -0.576 1
1 864 . 17 1 1 A 76 76 SER C C 114 171.259 173.550 -2.291 1
1 865 . 17 1 1 A 76 76 SER CA C 114 55.100 57.868 -2.768 1
1 866 . 17 1 1 A 76 76 SER CB C 114 61.160 61.350 -0.190 1
1 867 . 17 1 1 A 76 76 SER N N 114 117.830 119.422 -1.592 1
1 868 . 17 1 1 A 77 77 TYR H H 115 7.770 8.339 -0.569 1
1 869 . 17 1 1 A 77 77 TYR HA H 115 4.240 4.220 0.020 1
1 874 . 17 1 1 A 77 77 TYR C C 115 172.865 176.513 -3.648 1
1 875 . 17 1 1 A 77 77 TYR CA C 115 55.100 59.114 -4.014 1
1 876 . 17 1 1 A 77 77 TYR CB C 115 36.110 39.176 -3.066 1
1 877 . 17 1 1 A 77 77 TYR N N 115 121.280 123.455 -2.175 1
1 878 . 17 1 1 A 78 78 ASN HA H 116 4.790 4.338 0.452 1
1 883 . 17 1 1 A 78 78 ASN C C 116 172.080 175.261 -3.181 1
1 884 . 17 1 1 A 78 78 ASN CA C 116 48.910 54.223 -5.313 1
1 885 . 17 1 1 A 78 78 ASN CB C 116 35.500 36.730 -1.230 1
1 886 . 17 1 1 A 78 78 ASN N N 116 112.900 124.568 -11.668 1
1 887 . 17 1 1 A 79 79 PHE H H 117 7.410 7.290 0.120 1
1 888 . 17 1 1 A 79 79 PHE HA H 117 4.440 4.357 0.083 1
1 895 . 17 1 1 A 79 79 PHE C C 117 174.370 176.841 -2.471 1
1 896 . 17 1 1 A 79 79 PHE CA C 117 56.890 59.924 -3.034 1
1 897 . 17 1 1 A 79 79 PHE CB C 117 34.540 37.747 -3.207 1
1 898 . 17 1 1 A 79 79 PHE N N 117 121.190 118.400 2.790 1
1 899 . 17 1 1 A 80 80 ALA H H 118 8.560 7.425 1.135 1
1 900 . 17 1 1 A 80 80 ALA HA H 118 4.140 4.237 -0.097 1
1 904 . 17 1 1 A 80 80 ALA C C 118 176.482 177.701 -1.219 1
1 905 . 17 1 1 A 80 80 ALA CA C 118 52.430 53.986 -1.556 1
1 906 . 17 1 1 A 80 80 ALA CB C 118 16.160 19.096 -2.936 1
1 907 . 17 1 1 A 80 80 ALA N N 118 115.100 121.287 -6.187 1
1 908 . 17 1 1 A 81 81 THR H H 119 7.330 8.063 -0.733 1
1 909 . 17 1 1 A 81 81 THR HA H 119 4.450 4.630 -0.180 1
1 914 . 17 1 1 A 81 81 THR C C 119 172.909 175.428 -2.519 1
1 915 . 17 1 1 A 81 81 THR CA C 119 59.270 61.167 -1.897 1
1 916 . 17 1 1 A 81 81 THR CB C 119 66.770 70.963 -4.193 1
1 918 . 17 1 1 A 81 81 THR N N 119 104.710 110.892 -6.182 1
1 919 . 17 1 1 A 82 82 GLU H H 120 7.890 7.932 -0.042 1
1 920 . 17 1 1 A 82 82 GLU HA H 120 4.260 3.920 0.340 1
1 924 . 17 1 1 A 82 82 GLU C C 120 177.060 175.814 1.246 1
1 925 . 17 1 1 A 82 82 GLU CA C 120 54.740 58.214 -3.474 1
1 926 . 17 1 1 A 82 82 GLU N N 120 120.760 119.903 0.857 1
1 927 . 17 1 1 A 83 83 ILE H H 121 7.630 7.229 0.401 1
1 928 . 17 1 1 A 83 83 ILE HA H 121 3.330 3.841 -0.511 1
1 938 . 17 1 1 A 83 83 ILE CA C 121 57.580 60.019 -2.439 1
1 939 . 17 1 1 A 83 83 ILE CB C 121 35.770 37.797 -2.027 1
1 943 . 17 1 1 A 83 83 ILE N N 121 118.900 119.243 -0.343 1
1 944 . 17 1 1 A 84 84 PRO HA H 122 4.200 4.519 -0.319 1
1 951 . 17 1 1 A 84 84 PRO CA C 122 60.510 62.950 -2.440 1
1 952 . 17 1 1 A 84 84 PRO CB C 122 27.260 31.608 -4.348 1
1 955 . 17 1 1 A 86 86 THR HA H 124 3.869 3.995 -0.126 1
1 960 . 17 1 1 A 86 86 THR C C 124 172.991 176.495 -3.504 1
1 961 . 17 1 1 A 86 86 THR CA C 124 61.980 65.954 -3.974 1
1 962 . 17 1 1 A 86 86 THR CB C 124 65.710 68.496 -2.786 1
1 964 . 17 1 1 A 87 87 ILE H H 125 7.340 7.621 -0.281 1
1 965 . 17 1 1 A 87 87 ILE HA H 125 3.920 3.824 0.096 1
1 975 . 17 1 1 A 87 87 ILE C C 125 175.375 177.772 -2.397 1
1 976 . 17 1 1 A 87 87 ILE CA C 125 61.900 64.319 -2.419 1
1 977 . 17 1 1 A 87 87 ILE CB C 125 35.690 37.422 -1.732 1
1 981 . 17 1 1 A 87 87 ILE N N 125 120.800 119.229 1.571 1
1 982 . 17 1 1 A 88 88 LEU HA H 126 4.070 3.968 0.102 1
1 992 . 17 1 1 A 88 88 LEU C C 126 177.060 178.652 -1.592 1
1 993 . 17 1 1 A 88 88 LEU CA C 126 55.950 57.967 -2.017 1
1 994 . 17 1 1 A 88 88 LEU CB C 126 39.710 41.217 -1.507 1
1 998 . 17 1 1 A 89 89 LYS H H 127 8.095 8.088 0.007 1
1 999 . 17 1 1 A 89 89 LYS HA H 127 4.030 3.955 0.075 1
1 1008 . 17 1 1 A 89 89 LYS C C 127 176.400 179.126 -2.726 1
1 1009 . 17 1 1 A 89 89 LYS CA C 127 56.010 59.546 -3.536 1
1 1010 . 17 1 1 A 89 89 LYS CB C 127 29.650 32.227 -2.577 1
1 1014 . 17 1 1 A 89 89 LYS N N 127 116.100 119.378 -3.278 1
1 1015 . 17 1 1 A 90 90 LYS H H 128 7.848 7.462 0.386 1
1 1016 . 17 1 1 A 90 90 LYS HA H 128 4.160 3.958 0.202 1
1 1019 . 17 1 1 A 90 90 LYS C C 128 174.859 178.824 -3.965 1
1 1020 . 17 1 1 A 90 90 LYS CA C 128 54.750 57.841 -3.091 1
1 1021 . 17 1 1 A 90 90 LYS CB C 128 29.280 32.131 -2.851 1
1 1022 . 17 1 1 A 90 90 LYS N N 128 119.230 118.950 0.280 1
1 1023 . 17 1 1 A 91 91 LEU H H 129 7.640 7.044 0.596 1
1 1024 . 17 1 1 A 91 91 LEU HA H 129 4.250 3.283 0.967 1
1 1034 . 17 1 1 A 91 91 LEU CA C 129 52.280 57.356 -5.076 1
1 1035 . 17 1 1 A 91 91 LEU CB C 129 39.000 41.605 -2.605 1
1 1039 . 17 1 1 A 91 91 LEU N N 129 112.650 120.912 -8.262 1
1 1040 . 17 1 1 A 92 92 ASN H H 130 7.560 7.351 0.209 1
1 1041 . 17 1 1 A 92 92 ASN HA H 130 4.300 3.205 1.095 1
1 1046 . 17 1 1 A 92 92 ASN C C 130 172.034 175.201 -3.167 1
1 1047 . 17 1 1 A 92 92 ASN CA C 130 55.070 56.590 -1.520 1
1 1048 . 17 1 1 A 92 92 ASN CB C 130 32.670 37.628 -4.958 1
1 1049 . 17 1 1 A 92 92 ASN N N 130 111.100 116.275 -5.175 1
1 1051 . 17 1 1 A 93 93 PRO HA H 131 4.220 4.257 -0.037 1
1 1058 . 17 1 1 A 93 93 PRO C C 131 173.540 177.969 -4.429 1
1 1059 . 17 1 1 A 93 93 PRO CA C 131 62.300 64.799 -2.499 1
1 1060 . 17 1 1 A 93 93 PRO CB C 131 28.140 31.662 -3.522 1
1 1062 . 17 1 1 A 94 94 TYR H H 132 7.630 8.042 -0.412 1
1 1063 . 17 1 1 A 94 94 TYR HA H 132 4.630 4.361 0.269 1
1 1068 . 17 1 1 A 94 94 TYR C C 132 172.700 177.435 -4.735 1
1 1069 . 17 1 1 A 94 94 TYR CA C 132 54.130 59.995 -5.865 1
1 1070 . 17 1 1 A 94 94 TYR CB C 132 36.500 38.408 -1.908 1
1 1071 . 17 1 1 A 94 94 TYR N N 132 114.100 117.849 -3.749 1
1 1072 . 17 1 1 A 95 95 ARG H H 133 7.250 8.437 -1.187 1
1 1073 . 17 1 1 A 95 95 ARG HA H 133 4.290 4.294 -0.004 1
1 1081 . 17 1 1 A 95 95 ARG C C 133 173.763 177.624 -3.861 1
1 1082 . 17 1 1 A 95 95 ARG CA C 133 54.740 58.342 -3.602 1
1 1083 . 17 1 1 A 95 95 ARG CB C 133 27.880 30.912 -3.032 1
1 1086 . 17 1 1 A 95 95 ARG N N 133 119.390 125.416 -6.026 1
1 1088 . 17 1 1 A 96 96 LYS H H 134 8.658 7.413 1.245 1
1 1089 . 17 1 1 A 96 96 LYS HA H 134 4.490 4.379 0.111 1
1 1098 . 17 1 1 A 96 96 LYS C C 134 173.560 177.424 -3.864 1
1 1099 . 17 1 1 A 96 96 LYS CA C 134 52.580 55.463 -2.883 1
1 1100 . 17 1 1 A 96 96 LYS CB C 134 30.590 31.052 -0.462 1
1 1104 . 17 1 1 A 96 96 LYS N N 134 125.000 118.245 6.755 1
1 1105 . 17 1 1 A 97 97 MET H H 135 8.330 7.966 0.364 1
1 1106 . 17 1 1 A 97 97 MET HA H 135 4.420 4.819 -0.399 1
1 1114 . 17 1 1 A 97 97 MET C C 135 172.970 174.872 -1.902 1
1 1115 . 17 1 1 A 97 97 MET CA C 135 52.490 55.279 -2.789 1
1 1116 . 17 1 1 A 97 97 MET CB C 135 30.530 34.652 -4.122 1
1 1118 . 17 1 1 A 97 97 MET N N 135 120.890 119.718 1.172 1
1 1119 . 17 1 1 A 98 98 ALA H H 136 8.290 7.665 0.625 1
1 1120 . 17 1 1 A 98 98 ALA HA H 136 4.180 4.860 -0.680 1
1 1124 . 17 1 1 A 98 98 ALA C C 136 173.767 175.609 -1.842 1
1 1125 . 17 1 1 A 98 98 ALA CA C 136 49.750 50.824 -1.074 1
1 1126 . 17 1 1 A 98 98 ALA CB C 136 16.350 22.756 -6.406 1
1 1127 . 17 1 1 A 98 98 ALA N N 136 126.050 119.513 6.537 1
1 1 . 18 1 1 A 3 3 VAL HA H 41 3.360 3.618 -0.258 1
1 9 . 18 1 1 A 3 3 VAL CA C 41 64.070 66.760 -2.690 1
1 10 . 18 1 1 A 3 3 VAL CB C 41 28.620 31.485 -2.865 1
1 13 . 18 1 1 A 4 4 LYS H H 42 8.223 8.166 0.057 1
1 14 . 18 1 1 A 4 4 LYS HA H 42 3.610 4.026 -0.416 1
1 21 . 18 1 1 A 4 4 LYS C C 42 175.928 178.918 -2.990 1
1 22 . 18 1 1 A 4 4 LYS CA C 42 58.640 58.728 -0.088 1
1 23 . 18 1 1 A 4 4 LYS CB C 42 28.640 31.846 -3.206 1
1 25 . 18 1 1 A 4 4 LYS N N 42 118.080 119.264 -1.184 1
1 26 . 18 1 1 A 5 5 ARG H H 43 7.920 7.939 -0.019 1
1 27 . 18 1 1 A 5 5 ARG HA H 43 4.060 4.062 -0.002 1
1 34 . 18 1 1 A 5 5 ARG C C 43 177.798 178.400 -0.602 1
1 35 . 18 1 1 A 5 5 ARG CA C 43 56.640 58.677 -2.037 1
1 36 . 18 1 1 A 5 5 ARG CB C 43 27.200 29.834 -2.634 1
1 38 . 18 1 1 A 5 5 ARG N N 43 117.720 119.871 -2.151 1
1 39 . 18 1 1 A 6 6 LEU H H 44 7.660 7.950 -0.290 1
1 40 . 18 1 1 A 6 6 LEU HA H 44 4.100 4.087 0.013 1
1 50 . 18 1 1 A 6 6 LEU C C 44 176.114 178.317 -2.203 1
1 51 . 18 1 1 A 6 6 LEU CA C 44 55.100 57.375 -2.275 1
1 52 . 18 1 1 A 6 6 LEU CB C 44 39.570 42.148 -2.578 1
1 56 . 18 1 1 A 6 6 LEU N N 44 121.040 119.231 1.809 1
1 57 . 18 1 1 A 7 7 LEU H H 45 7.520 7.254 0.266 1
1 58 . 18 1 1 A 7 7 LEU HA H 45 4.350 4.657 -0.307 1
1 68 . 18 1 1 A 7 7 LEU C C 45 172.937 178.547 -5.610 1
1 69 . 18 1 1 A 7 7 LEU CA C 45 51.480 54.672 -3.192 1
1 70 . 18 1 1 A 7 7 LEU CB C 45 40.300 43.669 -3.369 1
1 74 . 18 1 1 A 7 7 LEU N N 45 116.660 112.816 3.844 1
1 75 . 18 1 1 A 8 8 SER H H 46 7.840 8.896 -1.056 1
1 76 . 18 1 1 A 8 8 SER HA H 46 3.960 4.248 -0.288 1
1 79 . 18 1 1 A 8 8 SER CA C 46 56.360 60.730 -4.370 1
1 80 . 18 1 1 A 8 8 SER CB C 46 58.870 62.953 -4.083 1
1 81 . 18 1 1 A 8 8 SER N N 46 113.750 115.252 -1.502 1
1 82 . 18 1 1 A 9 9 ILE H H 47 8.290 7.684 0.606 1
1 83 . 18 1 1 A 9 9 ILE HA H 47 4.230 4.125 0.105 1
1 93 . 18 1 1 A 9 9 ILE C C 47 174.540 176.001 -1.461 1
1 94 . 18 1 1 A 9 9 ILE CA C 47 58.680 62.653 -3.973 1
1 95 . 18 1 1 A 9 9 ILE CB C 47 36.912 39.750 -2.838 1
1 99 . 18 1 1 A 9 9 ILE N N 47 119.850 116.868 2.982 1
1 100 . 18 1 1 A 10 10 THR H H 48 8.760 7.554 1.206 1
1 101 . 18 1 1 A 10 10 THR HA H 48 4.465 4.434 0.031 1
1 106 . 18 1 1 A 10 10 THR C C 48 171.266 174.303 -3.037 1
1 107 . 18 1 1 A 10 10 THR CA C 48 58.390 61.379 -2.989 1
1 108 . 18 1 1 A 10 10 THR CB C 48 66.310 66.361 -0.051 1
1 110 . 18 1 1 A 10 10 THR N N 48 117.590 113.481 4.109 1
1 111 . 18 1 1 A 11 11 ASN H H 49 7.360 7.908 -0.548 1
1 112 . 18 1 1 A 11 11 ASN HA H 49 4.909 4.850 0.059 1
1 117 . 18 1 1 A 11 11 ASN C C 49 172.506 174.604 -2.098 1
1 118 . 18 1 1 A 11 11 ASN CA C 49 49.430 54.016 -4.586 1
1 119 . 18 1 1 A 11 11 ASN CB C 49 37.420 41.322 -3.902 1
1 120 . 18 1 1 A 11 11 ASN N N 49 113.560 121.093 -7.533 1
1 122 . 18 1 1 A 12 12 ASP H H 50 8.256 8.041 0.215 1
1 123 . 18 1 1 A 12 12 ASP HA H 50 4.650 4.675 -0.025 1
1 126 . 18 1 1 A 12 12 ASP C C 50 176.400 177.638 -1.238 1
1 127 . 18 1 1 A 12 12 ASP CA C 50 51.210 54.526 -3.316 1
1 128 . 18 1 1 A 12 12 ASP CB C 50 38.080 41.382 -3.302 1
1 129 . 18 1 1 A 12 12 ASP N N 50 117.210 119.000 -1.790 1
1 130 . 18 1 1 A 13 13 LYS H H 51 7.895 8.753 -0.858 1
1 131 . 18 1 1 A 13 13 LYS HA H 51 3.840 4.085 -0.245 1
1 140 . 18 1 1 A 13 13 LYS C C 51 174.700 178.699 -3.999 1
1 141 . 18 1 1 A 13 13 LYS CA C 51 56.320 58.625 -2.305 1
1 142 . 18 1 1 A 13 13 LYS CB C 51 29.760 31.886 -2.126 1
1 146 . 18 1 1 A 13 13 LYS N N 51 120.500 122.315 -1.815 1
1 147 . 18 1 1 A 14 14 HIS H H 52 9.000 8.470 0.530 1
1 148 . 18 1 1 A 14 14 HIS HA H 52 5.120 4.278 0.842 1
1 152 . 18 1 1 A 14 14 HIS C C 52 173.200 176.816 -3.616 1
1 153 . 18 1 1 A 14 14 HIS CA C 52 52.370 59.506 -7.136 1
1 154 . 18 1 1 A 14 14 HIS CB C 52 27.520 29.643 -2.123 1
1 155 . 18 1 1 A 14 14 HIS N N 52 116.200 119.059 -2.859 1
1 156 . 18 1 1 A 15 15 ASP H H 53 7.640 8.391 -0.751 1
1 157 . 18 1 1 A 15 15 ASP HA H 53 4.120 4.327 -0.207 1
1 160 . 18 1 1 A 15 15 ASP C C 53 176.183 177.983 -1.800 1
1 161 . 18 1 1 A 15 15 ASP CA C 53 56.060 57.550 -1.490 1
1 162 . 18 1 1 A 15 15 ASP CB C 53 36.350 42.105 -5.755 1
1 163 . 18 1 1 A 15 15 ASP N N 53 122.780 119.077 3.703 1
1 164 . 18 1 1 A 16 16 GLU H H 54 8.890 8.409 0.481 1
1 165 . 18 1 1 A 16 16 GLU HA H 54 4.020 4.106 -0.086 1
1 170 . 18 1 1 A 16 16 GLU CA C 54 57.770 59.454 -1.684 1
1 171 . 18 1 1 A 16 16 GLU CB C 54 26.330 29.077 -2.747 1
1 173 . 18 1 1 A 16 16 GLU N N 54 122.770 117.650 5.120 1
1 174 . 18 1 1 A 17 17 TYR H H 55 8.130 8.299 -0.169 1
1 175 . 18 1 1 A 17 17 TYR HA H 55 4.390 4.171 0.219 1
1 180 . 18 1 1 A 17 17 TYR C C 55 175.213 177.985 -2.772 1
1 181 . 18 1 1 A 17 17 TYR CA C 55 58.150 61.378 -3.228 1
1 182 . 18 1 1 A 17 17 TYR CB C 55 36.000 38.847 -2.847 1
1 185 . 18 1 1 A 17 17 TYR N N 55 121.000 121.716 -0.716 1
1 186 . 18 1 1 A 18 18 LEU H H 56 8.740 8.322 0.418 1
1 187 . 18 1 1 A 18 18 LEU HA H 56 3.710 3.838 -0.128 1
1 197 . 18 1 1 A 18 18 LEU C C 56 175.500 178.461 -2.961 1
1 198 . 18 1 1 A 18 18 LEU CA C 56 55.470 58.003 -2.533 1
1 199 . 18 1 1 A 18 18 LEU CB C 56 39.920 41.524 -1.604 1
1 203 . 18 1 1 A 18 18 LEU N N 56 118.100 119.968 -1.868 1
1 204 . 18 1 1 A 19 19 THR H H 57 8.420 8.288 0.132 1
1 205 . 18 1 1 A 19 19 THR HA H 57 3.820 3.867 -0.047 1
1 210 . 18 1 1 A 19 19 THR C C 57 172.234 177.051 -4.817 1
1 211 . 18 1 1 A 19 19 THR CA C 57 64.220 65.841 -1.621 1
1 212 . 18 1 1 A 19 19 THR CB C 57 66.050 68.439 -2.389 1
1 214 . 18 1 1 A 19 19 THR N N 57 114.940 111.297 3.643 1
1 215 . 18 1 1 A 20 20 GLU H H 58 7.087 8.179 -1.092 1
1 216 . 18 1 1 A 20 20 GLU HA H 58 4.320 3.924 0.396 1
1 221 . 18 1 1 A 20 20 GLU C C 58 175.554 179.379 -3.825 1
1 222 . 18 1 1 A 20 20 GLU CA C 58 55.170 59.823 -4.653 1
1 223 . 18 1 1 A 20 20 GLU CB C 58 27.920 29.112 -1.192 1
1 225 . 18 1 1 A 20 20 GLU N N 58 117.800 122.095 -4.295 1
1 226 . 18 1 1 A 21 21 MET H H 59 8.320 7.788 0.532 1
1 227 . 18 1 1 A 21 21 MET HA H 59 4.330 2.929 1.401 1
1 235 . 18 1 1 A 21 21 MET C C 59 175.330 178.626 -3.296 1
1 236 . 18 1 1 A 21 21 MET CA C 59 54.270 57.938 -3.668 1
1 237 . 18 1 1 A 21 21 MET CB C 59 30.620 31.905 -1.285 1
1 240 . 18 1 1 A 21 21 MET N N 59 116.300 119.299 -2.999 1
1 241 . 18 1 1 A 22 22 VAL H H 60 8.800 7.414 1.386 1
1 242 . 18 1 1 A 22 22 VAL HA H 60 3.630 3.565 0.065 1
1 250 . 18 1 1 A 22 22 VAL C C 60 172.042 174.548 -2.506 1
1 251 . 18 1 1 A 22 22 VAL CA C 60 66.980 67.329 -0.349 1
1 252 . 18 1 1 A 22 22 VAL CB C 60 26.120 29.423 -3.303 1
1 255 . 18 1 1 A 22 22 VAL N N 60 117.600 119.350 -1.750 1
1 256 . 18 1 1 A 23 23 PRO HA H 61 4.270 4.385 -0.115 1
1 263 . 18 1 1 A 23 23 PRO C C 61 177.110 179.148 -2.038 1
1 264 . 18 1 1 A 23 23 PRO CA C 61 63.460 65.437 -1.977 1
1 265 . 18 1 1 A 23 23 PRO CB C 61 28.400 31.262 -2.862 1
1 267 . 18 1 1 A 24 24 LEU H H 62 6.700 7.252 -0.552 1
1 268 . 18 1 1 A 24 24 LEU HA H 62 4.250 4.084 0.166 1
1 278 . 18 1 1 A 24 24 LEU C C 62 177.872 179.245 -1.373 1
1 279 . 18 1 1 A 24 24 LEU CA C 62 55.130 57.900 -2.770 1
1 280 . 18 1 1 A 24 24 LEU CB C 62 39.440 42.131 -2.691 1
1 284 . 18 1 1 A 24 24 LEU N N 62 115.750 117.766 -2.016 1
1 285 . 18 1 1 A 25 25 LEU H H 63 8.190 7.815 0.375 1
1 286 . 18 1 1 A 25 25 LEU HA H 63 3.920 4.198 -0.278 1
1 296 . 18 1 1 A 25 25 LEU C C 63 176.367 178.497 -2.130 1
1 297 . 18 1 1 A 25 25 LEU CA C 63 54.950 58.270 -3.320 1
1 298 . 18 1 1 A 25 25 LEU CB C 63 41.090 41.999 -0.909 1
1 302 . 18 1 1 A 25 25 LEU N N 63 121.800 120.024 1.776 1
1 303 . 18 1 1 A 26 26 VAL H H 64 8.590 8.776 -0.186 1
1 304 . 18 1 1 A 26 26 VAL HA H 64 3.480 3.867 -0.387 1
1 312 . 18 1 1 A 26 26 VAL C C 64 174.801 177.261 -2.460 1
1 313 . 18 1 1 A 26 26 VAL CA C 64 64.860 65.068 -0.208 1
1 314 . 18 1 1 A 26 26 VAL CB C 64 28.900 31.535 -2.635 1
1 317 . 18 1 1 A 26 26 VAL N N 64 120.990 118.654 2.336 1
1 318 . 18 1 1 A 27 27 GLU H H 65 8.090 7.907 0.183 1
1 319 . 18 1 1 A 27 27 GLU HA H 65 3.970 3.316 0.654 1
1 324 . 18 1 1 A 27 27 GLU C C 65 176.169 178.419 -2.250 1
1 325 . 18 1 1 A 27 27 GLU CA C 65 56.990 59.026 -2.036 1
1 326 . 18 1 1 A 27 27 GLU CB C 65 26.540 29.394 -2.854 1
1 328 . 18 1 1 A 27 27 GLU N N 65 118.990 121.665 -2.675 1
1 329 . 18 1 1 A 28 28 PHE H H 66 8.075 8.057 0.018 1
1 330 . 18 1 1 A 28 28 PHE HA H 66 4.570 4.247 0.323 1
1 337 . 18 1 1 A 28 28 PHE C C 66 173.482 177.494 -4.012 1
1 338 . 18 1 1 A 28 28 PHE CA C 66 58.390 61.711 -3.321 1
1 339 . 18 1 1 A 28 28 PHE CB C 66 36.680 39.325 -2.645 1
1 340 . 18 1 1 A 28 28 PHE N N 66 119.000 121.227 -2.227 1
1 341 . 18 1 1 A 29 29 ALA H H 67 8.420 8.690 -0.270 1
1 342 . 18 1 1 A 29 29 ALA HA H 67 3.500 3.717 -0.217 1
1 346 . 18 1 1 A 29 29 ALA C C 67 176.624 180.358 -3.734 1
1 347 . 18 1 1 A 29 29 ALA CA C 67 52.800 54.703 -1.903 1
1 348 . 18 1 1 A 29 29 ALA CB C 67 15.290 18.122 -2.832 1
1 349 . 18 1 1 A 29 29 ALA N N 67 121.810 120.952 0.858 1
1 350 . 18 1 1 A 30 30 LYS H H 68 8.227 7.451 0.776 1
1 351 . 18 1 1 A 30 30 LYS HA H 68 4.090 4.343 -0.253 1
1 360 . 18 1 1 A 30 30 LYS C C 68 177.400 178.936 -1.536 1
1 361 . 18 1 1 A 30 30 LYS CA C 68 56.700 58.906 -2.206 1
1 362 . 18 1 1 A 30 30 LYS CB C 68 31.230 31.387 -0.157 1
1 366 . 18 1 1 A 30 30 LYS N N 68 117.500 117.975 -0.475 1
1 367 . 18 1 1 A 31 31 ASP H H 69 7.820 8.043 -0.223 1
1 368 . 18 1 1 A 31 31 ASP HA H 69 4.210 4.825 -0.615 1
1 371 . 18 1 1 A 31 31 ASP C C 69 176.438 178.333 -1.895 1
1 372 . 18 1 1 A 31 31 ASP CA C 69 54.310 57.234 -2.924 1
1 373 . 18 1 1 A 31 31 ASP CB C 69 38.320 41.839 -3.519 1
1 374 . 18 1 1 A 31 31 ASP N N 69 120.370 120.102 0.268 1
1 375 . 18 1 1 A 32 32 GLU H H 70 8.840 8.368 0.472 1
1 376 . 18 1 1 A 32 32 GLU HA H 70 3.730 3.988 -0.258 1
1 381 . 18 1 1 A 32 32 GLU C C 70 176.119 177.598 -1.479 1
1 382 . 18 1 1 A 32 32 GLU CA C 70 55.270 59.325 -4.055 1
1 383 . 18 1 1 A 32 32 GLU CB C 70 26.810 29.684 -2.874 1
1 385 . 18 1 1 A 32 32 GLU N N 70 120.750 117.847 2.903 1
1 386 . 18 1 1 A 33 33 CYS H H 71 7.960 8.216 -0.256 1
1 387 . 18 1 1 A 33 33 CYS HA H 71 4.070 4.627 -0.557 1
1 390 . 18 1 1 A 33 33 CYS C C 71 170.993 173.759 -2.766 1
1 391 . 18 1 1 A 33 33 CYS CA C 71 58.160 59.261 -1.101 1
1 392 . 18 1 1 A 33 33 CYS CB C 71 26.000 27.976 -1.976 1
1 393 . 18 1 1 A 33 33 CYS N N 71 111.530 115.794 -4.264 1
1 394 . 18 1 1 A 34 34 HIS H H 72 7.560 7.699 -0.139 1
1 395 . 18 1 1 A 34 34 HIS HA H 72 4.040 4.129 -0.089 1
1 398 . 18 1 1 A 34 34 HIS C C 72 170.400 173.648 -3.248 1
1 399 . 18 1 1 A 34 34 HIS CA C 72 53.230 57.135 -3.905 1
1 400 . 18 1 1 A 34 34 HIS CB C 72 23.830 26.731 -2.901 1
1 401 . 18 1 1 A 34 34 HIS N N 72 118.100 116.003 2.097 1
1 402 . 18 1 1 A 35 35 ASN H H 73 7.590 7.584 0.006 1
1 403 . 18 1 1 A 35 35 ASN HA H 73 4.805 5.127 -0.322 1
1 408 . 18 1 1 A 35 35 ASN C C 73 170.429 174.751 -4.322 1
1 409 . 18 1 1 A 35 35 ASN CA C 73 46.130 50.878 -4.748 1
1 410 . 18 1 1 A 35 35 ASN CB C 73 39.580 41.166 -1.586 1
1 411 . 18 1 1 A 35 35 ASN N N 73 112.400 112.879 -0.479 1
1 413 . 18 1 1 A 36 36 PRO HA H 74 4.120 3.878 0.242 1
1 420 . 18 1 1 A 36 36 PRO C C 74 173.450 175.899 -2.449 1
1 421 . 18 1 1 A 36 36 PRO CA C 74 59.950 62.905 -2.955 1
1 422 . 18 1 1 A 36 36 PRO CB C 74 29.200 32.439 -3.239 1
1 425 . 18 1 1 A 37 37 PHE H H 75 8.057 7.515 0.542 1
1 426 . 18 1 1 A 37 37 PHE HA H 75 4.200 4.269 -0.069 1
1 432 . 18 1 1 A 37 37 PHE C C 75 171.107 174.363 -3.256 1
1 433 . 18 1 1 A 37 37 PHE CA C 75 55.120 59.415 -4.295 1
1 434 . 18 1 1 A 37 37 PHE CB C 75 33.760 36.347 -2.587 1
1 436 . 18 1 1 A 38 38 ILE H H 76 7.610 7.586 0.024 1
1 437 . 18 1 1 A 38 38 ILE HA H 76 4.870 4.752 0.118 1
1 447 . 18 1 1 A 38 38 ILE C C 76 174.180 174.609 -0.429 1
1 448 . 18 1 1 A 38 38 ILE CA C 76 56.300 59.622 -3.322 1
1 449 . 18 1 1 A 38 38 ILE CB C 76 38.040 39.221 -1.181 1
1 453 . 18 1 1 A 38 38 ILE N N 76 113.800 119.912 -6.112 1
1 454 . 18 1 1 A 39 39 ASP H H 77 8.830 9.283 -0.453 1
1 455 . 18 1 1 A 39 39 ASP HA H 77 4.710 4.735 -0.025 1
1 458 . 18 1 1 A 39 39 ASP C C 77 175.969 176.498 -0.529 1
1 459 . 18 1 1 A 39 39 ASP CA C 77 49.800 52.026 -2.226 1
1 460 . 18 1 1 A 39 39 ASP CB C 77 39.180 43.213 -4.033 1
1 461 . 18 1 1 A 39 39 ASP N N 77 125.380 127.340 -1.960 1
1 462 . 18 1 1 A 40 40 LYS H H 78 8.370 8.457 -0.087 1
1 463 . 18 1 1 A 40 40 LYS HA H 78 4.100 3.936 0.164 1
1 468 . 18 1 1 A 40 40 LYS C C 78 174.100 177.406 -3.306 1
1 469 . 18 1 1 A 40 40 LYS CA C 78 55.800 59.853 -4.053 1
1 470 . 18 1 1 A 40 40 LYS CB C 78 29.120 32.301 -3.181 1
1 471 . 18 1 1 A 40 40 LYS N N 78 116.800 122.165 -5.365 1
1 472 . 18 1 1 A 41 41 ASP H H 79 8.030 7.905 0.125 1
1 473 . 18 1 1 A 41 41 ASP HA H 79 4.810 4.873 -0.063 1
1 476 . 18 1 1 A 41 41 ASP C C 79 173.360 176.402 -3.042 1
1 477 . 18 1 1 A 41 41 ASP CA C 79 51.650 54.039 -2.389 1
1 478 . 18 1 1 A 41 41 ASP CB C 79 39.570 41.927 -2.357 1
1 479 . 18 1 1 A 41 41 ASP N N 79 118.660 115.914 2.746 1
1 480 . 18 1 1 A 42 42 GLY H H 80 8.090 8.048 0.042 1
1 481 . 18 1 1 A 42 42 GLY HA2 H 80 4.230 3.890 0.340 1
1 482 . 18 1 1 A 42 42 GLY HA3 H 80 3.490 3.893 -0.403 1
1 483 . 18 1 1 A 42 42 GLY C C 80 171.399 173.673 -2.274 1
1 484 . 18 1 1 A 42 42 GLY CA C 80 42.720 47.122 -4.402 1
1 485 . 18 1 1 A 42 42 GLY N N 80 107.750 108.016 -0.266 1
1 486 . 18 1 1 A 43 43 ASN H H 81 8.470 8.240 0.230 1
1 487 . 18 1 1 A 43 43 ASN HA H 81 4.815 4.621 0.194 1
1 492 . 18 1 1 A 43 43 ASN C C 81 172.066 175.390 -3.324 1
1 493 . 18 1 1 A 43 43 ASN CA C 81 49.580 53.949 -4.369 1
1 494 . 18 1 1 A 43 43 ASN CB C 81 36.800 38.797 -1.997 1
1 495 . 18 1 1 A 43 43 ASN N N 81 117.600 121.356 -3.756 1
1 497 . 18 1 1 A 44 44 GLU H H 82 8.730 8.574 0.156 1
1 498 . 18 1 1 A 44 44 GLU HA H 82 4.370 4.402 -0.032 1
1 503 . 18 1 1 A 44 44 GLU C C 82 173.651 175.743 -2.092 1
1 504 . 18 1 1 A 44 44 GLU CA C 82 55.170 56.909 -1.739 1
1 505 . 18 1 1 A 44 44 GLU CB C 82 27.740 29.971 -2.231 1
1 507 . 18 1 1 A 44 44 GLU N N 82 123.400 122.251 1.149 1
1 508 . 18 1 1 A 45 45 SER H H 83 8.960 8.709 0.251 1
1 509 . 18 1 1 A 45 45 SER HA H 83 4.510 5.321 -0.811 1
1 512 . 18 1 1 A 45 45 SER C C 83 170.100 172.886 -2.786 1
1 513 . 18 1 1 A 45 45 SER CA C 83 53.800 56.828 -3.028 1
1 514 . 18 1 1 A 45 45 SER CB C 83 60.320 66.351 -6.031 1
1 515 . 18 1 1 A 45 45 SER N N 83 123.400 117.581 5.819 1
1 516 . 18 1 1 A 46 46 ILE H H 84 8.990 9.215 -0.225 1
1 517 . 18 1 1 A 46 46 ILE HA H 84 3.880 4.773 -0.893 1
1 527 . 18 1 1 A 46 46 ILE C C 84 177.600 173.866 3.734 1
1 528 . 18 1 1 A 46 46 ILE CA C 84 55.490 58.201 -2.711 1
1 529 . 18 1 1 A 46 46 ILE CB C 84 34.850 39.981 -5.131 1
1 533 . 18 1 1 A 46 46 ILE N N 84 127.800 123.600 4.200 1
1 534 . 18 1 1 A 47 47 PRO HA H 85 3.840 4.680 -0.840 1
1 541 . 18 1 1 A 47 47 PRO C C 85 172.918 177.617 -4.699 1
1 542 . 18 1 1 A 47 47 PRO CA C 85 61.880 62.461 -0.581 1
1 543 . 18 1 1 A 47 47 PRO CB C 85 34.920 32.904 2.016 1
1 546 . 18 1 1 A 48 48 SER H H 86 7.780 8.706 -0.926 1
1 547 . 18 1 1 A 48 48 SER C C 86 174.554 176.627 -2.073 1
1 548 . 18 1 1 A 49 49 GLY H H 87 8.230 8.465 -0.235 1
1 549 . 18 1 1 A 49 49 GLY HA2 H 87 4.300 3.823 0.477 1
1 550 . 18 1 1 A 49 49 GLY HA3 H 87 3.950 3.832 0.118 1
1 551 . 18 1 1 A 49 49 GLY C C 87 173.507 175.885 -2.378 1
1 552 . 18 1 1 A 49 49 GLY CA C 87 44.600 47.261 -2.661 1
1 553 . 18 1 1 A 49 49 GLY N N 87 105.900 108.562 -2.662 1
1 554 . 18 1 1 A 50 50 VAL H H 88 6.855 8.015 -1.160 1
1 555 . 18 1 1 A 50 50 VAL HA H 88 3.510 4.031 -0.521 1
1 563 . 18 1 1 A 50 50 VAL C C 88 174.450 177.850 -3.400 1
1 564 . 18 1 1 A 50 50 VAL CA C 88 62.420 64.339 -1.919 1
1 565 . 18 1 1 A 50 50 VAL CB C 88 28.000 31.671 -3.671 1
1 568 . 18 1 1 A 50 50 VAL N N 88 119.950 123.068 -3.118 1
1 569 . 18 1 1 A 51 51 LEU H H 89 7.360 7.959 -0.599 1
1 570 . 18 1 1 A 51 51 LEU HA H 89 3.570 4.092 -0.522 1
1 580 . 18 1 1 A 51 51 LEU C C 89 175.078 178.446 -3.368 1
1 581 . 18 1 1 A 51 51 LEU CA C 89 55.490 57.951 -2.461 1
1 582 . 18 1 1 A 51 51 LEU CB C 89 37.320 41.774 -4.454 1
1 586 . 18 1 1 A 51 51 LEU N N 89 122.100 122.005 0.095 1
1 587 . 18 1 1 A 52 52 ILE H H 90 7.770 7.637 0.133 1
1 588 . 18 1 1 A 52 52 ILE HA H 90 3.600 3.835 -0.235 1
1 598 . 18 1 1 A 52 52 ILE C C 90 175.000 177.841 -2.841 1
1 599 . 18 1 1 A 52 52 ILE CA C 90 62.720 64.499 -1.779 1
1 600 . 18 1 1 A 52 52 ILE CB C 90 34.510 37.462 -2.952 1
1 604 . 18 1 1 A 52 52 ILE N N 90 117.460 116.304 1.156 1
1 605 . 18 1 1 A 53 53 PHE H H 91 7.400 7.994 -0.594 1
1 606 . 18 1 1 A 53 53 PHE HA H 91 3.900 4.094 -0.194 1
1 613 . 18 1 1 A 53 53 PHE C C 91 172.073 176.991 -4.918 1
1 614 . 18 1 1 A 53 53 PHE CA C 91 59.340 61.534 -2.194 1
1 615 . 18 1 1 A 53 53 PHE CB C 91 35.540 39.166 -3.626 1
1 616 . 18 1 1 A 53 53 PHE N N 91 119.280 124.289 -5.009 1
1 617 . 18 1 1 A 54 54 VAL H H 92 8.450 8.541 -0.091 1
1 618 . 18 1 1 A 54 54 VAL HA H 92 2.850 3.131 -0.281 1
1 626 . 18 1 1 A 54 54 VAL C C 92 174.300 177.817 -3.517 1
1 627 . 18 1 1 A 54 54 VAL CA C 92 63.860 66.426 -2.566 1
1 628 . 18 1 1 A 54 54 VAL CB C 92 28.570 31.501 -2.931 1
1 631 . 18 1 1 A 54 54 VAL N N 92 119.170 119.387 -0.217 1
1 632 . 18 1 1 A 55 55 ALA H H 93 8.615 8.336 0.279 1
1 633 . 18 1 1 A 55 55 ALA HA H 93 3.750 3.861 -0.111 1
1 637 . 18 1 1 A 55 55 ALA C C 93 176.294 179.518 -3.224 1
1 638 . 18 1 1 A 55 55 ALA CA C 93 52.800 55.514 -2.714 1
1 639 . 18 1 1 A 55 55 ALA CB C 93 16.050 18.529 -2.479 1
1 640 . 18 1 1 A 55 55 ALA N N 93 120.170 121.040 -0.870 1
1 641 . 18 1 1 A 56 56 LYS H H 94 8.548 7.631 0.917 1
1 642 . 18 1 1 A 56 56 LYS HA H 94 3.980 4.064 -0.084 1
1 649 . 18 1 1 A 56 56 LYS C C 94 177.600 178.957 -1.357 1
1 650 . 18 1 1 A 56 56 LYS CA C 94 55.800 59.010 -3.210 1
1 651 . 18 1 1 A 56 56 LYS CB C 94 29.500 32.052 -2.552 1
1 654 . 18 1 1 A 56 56 LYS N N 94 115.200 116.438 -1.238 1
1 655 . 18 1 1 A 57 57 ALA H H 95 8.840 7.771 1.069 1
1 656 . 18 1 1 A 57 57 ALA HA H 95 3.940 4.070 -0.130 1
1 660 . 18 1 1 A 57 57 ALA C C 95 175.754 179.891 -4.137 1
1 661 . 18 1 1 A 57 57 ALA CA C 95 52.670 54.879 -2.209 1
1 662 . 18 1 1 A 57 57 ALA CB C 95 16.070 17.456 -1.386 1
1 663 . 18 1 1 A 57 57 ALA N N 95 124.210 121.986 2.224 1
1 664 . 18 1 1 A 58 58 ALA H H 96 8.816 7.532 1.284 1
1 665 . 18 1 1 A 58 58 ALA HA H 96 4.043 4.010 0.033 1
1 669 . 18 1 1 A 58 58 ALA C C 96 177.600 179.731 -2.131 1
1 670 . 18 1 1 A 58 58 ALA CA C 96 52.770 54.793 -2.023 1
1 671 . 18 1 1 A 58 58 ALA CB C 96 13.560 18.294 -4.734 1
1 672 . 18 1 1 A 58 58 ALA N N 96 120.500 120.317 0.183 1
1 673 . 18 1 1 A 59 59 GLN H H 97 8.490 8.010 0.480 1
1 674 . 18 1 1 A 59 59 GLN HA H 97 3.960 4.025 -0.065 1
1 681 . 18 1 1 A 59 59 GLN C C 97 175.100 178.184 -3.084 1
1 682 . 18 1 1 A 59 59 GLN CA C 97 56.370 57.947 -1.577 1
1 683 . 18 1 1 A 59 59 GLN CB C 97 26.500 27.863 -1.363 1
1 684 . 18 1 1 A 59 59 GLN N N 97 118.750 116.200 2.550 1
1 686 . 18 1 1 A 60 60 PHE H H 98 8.020 7.848 0.172 1
1 687 . 18 1 1 A 60 60 PHE HA H 98 4.120 4.203 -0.083 1
1 694 . 18 1 1 A 60 60 PHE C C 98 174.780 176.965 -2.185 1
1 695 . 18 1 1 A 60 60 PHE CA C 98 58.650 61.456 -2.806 1
1 696 . 18 1 1 A 60 60 PHE CB C 98 35.240 39.146 -3.906 1
1 697 . 18 1 1 A 60 60 PHE N N 98 122.380 121.571 0.809 1
1 698 . 18 1 1 A 61 61 TYR H H 99 7.900 8.216 -0.316 1
1 699 . 18 1 1 A 61 61 TYR HA H 99 3.900 4.226 -0.326 1
1 704 . 18 1 1 A 61 61 TYR C C 99 175.494 177.516 -2.022 1
1 705 . 18 1 1 A 61 61 TYR CA C 99 60.600 61.526 -0.926 1
1 706 . 18 1 1 A 61 61 TYR CB C 99 36.120 38.374 -2.254 1
1 707 . 18 1 1 A 61 61 TYR N N 99 118.100 119.978 -1.878 1
1 708 . 18 1 1 A 62 62 MET H H 100 8.170 8.309 -0.139 1
1 709 . 18 1 1 A 62 62 MET HA H 100 3.810 4.023 -0.213 1
1 717 . 18 1 1 A 62 62 MET C C 100 175.130 178.293 -3.163 1
1 718 . 18 1 1 A 62 62 MET CA C 100 56.270 58.452 -2.182 1
1 719 . 18 1 1 A 62 62 MET CB C 100 31.260 32.205 -0.945 1
1 722 . 18 1 1 A 62 62 MET N N 100 118.350 118.431 -0.081 1
1 723 . 18 1 1 A 63 63 THR H H 101 7.720 7.703 0.017 1
1 724 . 18 1 1 A 63 63 THR HA H 101 4.120 4.224 -0.104 1
1 729 . 18 1 1 A 63 63 THR C C 101 172.265 174.941 -2.676 1
1 730 . 18 1 1 A 63 63 THR CA C 101 60.060 63.219 -3.159 1
1 731 . 18 1 1 A 63 63 THR CB C 101 66.880 69.027 -2.147 1
1 733 . 18 1 1 A 63 63 THR N N 101 110.720 112.693 -1.973 1
1 734 . 18 1 1 A 64 64 ASN H H 102 7.620 7.911 -0.291 1
1 735 . 18 1 1 A 64 64 ASN HA H 102 4.541 4.971 -0.430 1
1 740 . 18 1 1 A 64 64 ASN C C 102 172.591 175.507 -2.916 1
1 741 . 18 1 1 A 64 64 ASN CA C 102 51.480 51.965 -0.485 1
1 742 . 18 1 1 A 64 64 ASN CB C 102 36.830 38.356 -1.526 1
1 743 . 18 1 1 A 64 64 ASN N N 102 114.000 116.542 -2.542 1
1 745 . 18 1 1 A 65 65 ALA H H 103 8.060 7.860 0.200 1
1 746 . 18 1 1 A 65 65 ALA HA H 103 4.183 3.798 0.385 1
1 750 . 18 1 1 A 65 65 ALA C C 103 176.032 178.791 -2.759 1
1 751 . 18 1 1 A 65 65 ALA CA C 103 51.130 53.493 -2.363 1
1 752 . 18 1 1 A 65 65 ALA CB C 103 16.230 19.472 -3.242 1
1 753 . 18 1 1 A 65 65 ALA N N 103 123.910 122.536 1.374 1
1 754 . 18 1 1 A 66 66 GLY H H 104 8.220 7.612 0.608 1
1 755 . 18 1 1 A 66 66 GLY HA2 H 104 3.883 4.178 -0.295 1
1 756 . 18 1 1 A 66 66 GLY C C 104 172.222 174.680 -2.458 1
1 757 . 18 1 1 A 66 66 GLY CA C 104 43.170 45.778 -2.608 1
1 758 . 18 1 1 A 66 66 GLY N N 104 106.420 102.864 3.556 1
1 759 . 18 1 1 A 67 67 LEU H H 105 7.890 7.684 0.206 1
1 760 . 18 1 1 A 67 67 LEU HA H 105 4.290 4.652 -0.362 1
1 770 . 18 1 1 A 67 67 LEU C C 105 175.406 177.087 -1.681 1
1 771 . 18 1 1 A 67 67 LEU CA C 105 53.110 55.394 -2.284 1
1 772 . 18 1 1 A 67 67 LEU CB C 105 39.740 43.120 -3.380 1
1 776 . 18 1 1 A 67 67 LEU N N 105 120.570 117.503 3.067 1
1 777 . 18 1 1 A 68 68 THR H H 106 7.940 7.991 -0.051 1
1 778 . 18 1 1 A 68 68 THR HA H 106 4.330 4.519 -0.189 1
1 783 . 18 1 1 A 68 68 THR C C 106 172.806 175.653 -2.847 1
1 784 . 18 1 1 A 68 68 THR CA C 106 59.700 61.480 -1.780 1
1 785 . 18 1 1 A 68 68 THR CB C 106 67.140 69.323 -2.183 1
1 787 . 18 1 1 A 68 68 THR N N 106 111.750 114.314 -2.564 1
1 788 . 18 1 1 A 69 69 GLY H H 107 8.340 8.328 0.012 1
1 789 . 18 1 1 A 69 69 GLY HA2 H 107 3.940 3.898 0.042 1
1 790 . 18 1 1 A 69 69 GLY C C 107 171.503 173.932 -2.429 1
1 791 . 18 1 1 A 69 69 GLY CA C 107 42.990 45.655 -2.665 1
1 792 . 18 1 1 A 69 69 GLY N N 107 110.910 109.279 1.631 1
1 793 . 18 1 1 A 70 70 ARG H H 108 7.930 7.484 0.446 1
1 794 . 18 1 1 A 70 70 ARG HA H 108 4.355 4.485 -0.130 1
1 801 . 18 1 1 A 70 70 ARG C C 108 173.543 174.327 -0.784 1
1 802 . 18 1 1 A 70 70 ARG CA C 108 53.170 57.064 -3.894 1
1 803 . 18 1 1 A 70 70 ARG CB C 108 28.470 31.582 -3.112 1
1 806 . 18 1 1 A 70 70 ARG N N 108 119.900 118.950 0.950 1
1 807 . 18 1 1 A 71 71 SER H H 109 8.400 7.744 0.656 1
1 808 . 18 1 1 A 71 71 SER HA H 109 4.409 4.755 -0.346 1
1 811 . 18 1 1 A 71 71 SER C C 109 172.430 173.554 -1.124 1
1 812 . 18 1 1 A 71 71 SER CA C 109 55.630 57.471 -1.841 1
1 813 . 18 1 1 A 71 71 SER CB C 109 61.060 63.379 -2.319 1
1 814 . 18 1 1 A 71 71 SER N N 109 116.970 114.010 2.960 1
1 815 . 18 1 1 A 72 72 MET H H 110 8.590 8.384 0.206 1
1 816 . 18 1 1 A 72 72 MET HA H 110 4.394 4.566 -0.172 1
1 822 . 18 1 1 A 72 72 MET C C 110 173.487 175.766 -2.279 1
1 823 . 18 1 1 A 72 72 MET CA C 110 53.320 55.835 -2.515 1
1 824 . 18 1 1 A 72 72 MET CB C 110 29.300 31.108 -1.808 1
1 825 . 18 1 1 A 72 72 MET N N 110 122.250 115.809 6.441 1
1 826 . 18 1 1 A 73 73 ASP H H 111 8.260 8.246 0.014 1
1 827 . 18 1 1 A 73 73 ASP HA H 111 4.514 4.578 -0.064 1
1 830 . 18 1 1 A 73 73 ASP C C 111 173.886 176.078 -2.192 1
1 831 . 18 1 1 A 73 73 ASP CA C 111 52.150 56.853 -4.703 1
1 832 . 18 1 1 A 73 73 ASP CB C 111 38.310 42.181 -3.871 1
1 833 . 18 1 1 A 73 73 ASP N N 111 119.420 120.117 -0.697 1
1 834 . 18 1 1 A 74 74 THR H H 112 7.900 7.588 0.312 1
1 835 . 18 1 1 A 74 74 THR HA H 112 4.142 4.504 -0.362 1
1 840 . 18 1 1 A 74 74 THR C C 112 172.029 173.103 -1.074 1
1 841 . 18 1 1 A 74 74 THR CA C 112 59.640 60.845 -1.205 1
1 842 . 18 1 1 A 74 74 THR CB C 112 66.820 69.968 -3.148 1
1 844 . 18 1 1 A 74 74 THR N N 112 112.950 108.742 4.208 1
1 845 . 18 1 1 A 75 75 VAL H H 113 7.840 8.502 -0.662 1
1 846 . 18 1 1 A 75 75 VAL HA H 113 3.950 3.826 0.124 1
1 854 . 18 1 1 A 75 75 VAL C C 113 173.067 175.554 -2.487 1
1 855 . 18 1 1 A 75 75 VAL CA C 113 60.070 63.062 -2.992 1
1 856 . 18 1 1 A 75 75 VAL CB C 113 29.740 34.379 -4.639 1
1 859 . 18 1 1 A 75 75 VAL N N 113 121.540 123.697 -2.157 1
1 860 . 18 1 1 A 76 76 SER H H 114 8.020 7.731 0.289 1
1 861 . 18 1 1 A 76 76 SER HA H 114 3.974 4.418 -0.444 1
1 864 . 18 1 1 A 76 76 SER C C 114 171.259 173.554 -2.295 1
1 865 . 18 1 1 A 76 76 SER CA C 114 55.100 57.510 -2.410 1
1 866 . 18 1 1 A 76 76 SER CB C 114 61.160 62.534 -1.374 1
1 867 . 18 1 1 A 76 76 SER N N 114 117.830 112.802 5.028 1
1 868 . 18 1 1 A 77 77 TYR H H 115 7.770 7.494 0.276 1
1 869 . 18 1 1 A 77 77 TYR HA H 115 4.240 5.178 -0.938 1
1 874 . 18 1 1 A 77 77 TYR C C 115 172.865 174.487 -1.622 1
1 875 . 18 1 1 A 77 77 TYR CA C 115 55.100 55.672 -0.572 1
1 876 . 18 1 1 A 77 77 TYR CB C 115 36.110 41.021 -4.911 1
1 877 . 18 1 1 A 77 77 TYR N N 115 121.280 119.468 1.812 1
1 878 . 18 1 1 A 78 78 ASN HA H 116 4.790 4.523 0.267 1
1 883 . 18 1 1 A 78 78 ASN C C 116 172.080 174.664 -2.584 1
1 884 . 18 1 1 A 78 78 ASN CA C 116 48.910 51.196 -2.286 1
1 885 . 18 1 1 A 78 78 ASN CB C 116 35.500 41.235 -5.735 1
1 886 . 18 1 1 A 78 78 ASN N N 116 112.900 117.954 -5.054 1
1 887 . 18 1 1 A 79 79 PHE H H 117 7.410 8.148 -0.738 1
1 888 . 18 1 1 A 79 79 PHE HA H 117 4.440 4.165 0.275 1
1 895 . 18 1 1 A 79 79 PHE C C 117 174.370 176.481 -2.111 1
1 896 . 18 1 1 A 79 79 PHE CA C 117 56.890 59.796 -2.906 1
1 897 . 18 1 1 A 79 79 PHE CB C 117 34.540 38.040 -3.500 1
1 898 . 18 1 1 A 79 79 PHE N N 117 121.190 121.694 -0.504 1
1 899 . 18 1 1 A 80 80 ALA H H 118 8.560 7.274 1.286 1
1 900 . 18 1 1 A 80 80 ALA HA H 118 4.140 3.999 0.141 1
1 904 . 18 1 1 A 80 80 ALA C C 118 176.482 177.132 -0.650 1
1 905 . 18 1 1 A 80 80 ALA CA C 118 52.430 52.641 -0.211 1
1 906 . 18 1 1 A 80 80 ALA CB C 118 16.160 18.517 -2.357 1
1 907 . 18 1 1 A 80 80 ALA N N 118 115.100 120.782 -5.682 1
1 908 . 18 1 1 A 81 81 THR H H 119 7.330 7.681 -0.351 1
1 909 . 18 1 1 A 81 81 THR HA H 119 4.450 4.506 -0.056 1
1 914 . 18 1 1 A 81 81 THR C C 119 172.909 172.845 0.064 1
1 915 . 18 1 1 A 81 81 THR CA C 119 59.270 60.998 -1.728 1
1 916 . 18 1 1 A 81 81 THR CB C 119 66.770 69.381 -2.611 1
1 918 . 18 1 1 A 81 81 THR N N 119 104.710 112.249 -7.539 1
1 919 . 18 1 1 A 82 82 GLU H H 120 7.890 7.559 0.331 1
1 920 . 18 1 1 A 82 82 GLU HA H 120 4.260 4.517 -0.257 1
1 924 . 18 1 1 A 82 82 GLU C C 120 177.060 174.570 2.490 1
1 925 . 18 1 1 A 82 82 GLU CA C 120 54.740 54.560 0.180 1
1 926 . 18 1 1 A 82 82 GLU N N 120 120.760 120.191 0.569 1
1 927 . 18 1 1 A 83 83 ILE H H 121 7.630 7.258 0.372 1
1 928 . 18 1 1 A 83 83 ILE HA H 121 3.330 3.969 -0.639 1
1 938 . 18 1 1 A 83 83 ILE CA C 121 57.580 62.185 -4.605 1
1 939 . 18 1 1 A 83 83 ILE CB C 121 35.770 36.837 -1.067 1
1 943 . 18 1 1 A 83 83 ILE N N 121 118.900 117.583 1.317 1
1 944 . 18 1 1 A 84 84 PRO HA H 122 4.200 4.416 -0.216 1
1 951 . 18 1 1 A 84 84 PRO CA C 122 60.510 62.345 -1.835 1
1 952 . 18 1 1 A 84 84 PRO CB C 122 27.260 32.110 -4.850 1
1 955 . 18 1 1 A 86 86 THR HA H 124 3.869 4.013 -0.144 1
1 960 . 18 1 1 A 86 86 THR C C 124 172.991 176.490 -3.499 1
1 961 . 18 1 1 A 86 86 THR CA C 124 61.980 65.882 -3.902 1
1 962 . 18 1 1 A 86 86 THR CB C 124 65.710 68.623 -2.913 1
1 964 . 18 1 1 A 87 87 ILE H H 125 7.340 7.806 -0.466 1
1 965 . 18 1 1 A 87 87 ILE HA H 125 3.920 3.791 0.129 1
1 975 . 18 1 1 A 87 87 ILE C C 125 175.375 178.401 -3.026 1
1 976 . 18 1 1 A 87 87 ILE CA C 125 61.900 64.373 -2.473 1
1 977 . 18 1 1 A 87 87 ILE CB C 125 35.690 37.021 -1.331 1
1 981 . 18 1 1 A 87 87 ILE N N 125 120.800 121.419 -0.619 1
1 982 . 18 1 1 A 88 88 LEU HA H 126 4.070 3.869 0.201 1
1 992 . 18 1 1 A 88 88 LEU C C 126 177.060 178.805 -1.745 1
1 993 . 18 1 1 A 88 88 LEU CA C 126 55.950 57.142 -1.192 1
1 994 . 18 1 1 A 88 88 LEU CB C 126 39.710 41.620 -1.910 1
1 998 . 18 1 1 A 89 89 LYS H H 127 8.095 7.567 0.528 1
1 999 . 18 1 1 A 89 89 LYS HA H 127 4.030 3.956 0.074 1
1 1008 . 18 1 1 A 89 89 LYS C C 127 176.400 178.950 -2.550 1
1 1009 . 18 1 1 A 89 89 LYS CA C 127 56.010 58.965 -2.955 1
1 1010 . 18 1 1 A 89 89 LYS CB C 127 29.650 31.806 -2.156 1
1 1014 . 18 1 1 A 89 89 LYS N N 127 116.100 120.767 -4.667 1
1 1015 . 18 1 1 A 90 90 LYS H H 128 7.848 8.348 -0.500 1
1 1016 . 18 1 1 A 90 90 LYS HA H 128 4.160 4.063 0.097 1
1 1019 . 18 1 1 A 90 90 LYS C C 128 174.859 178.536 -3.677 1
1 1020 . 18 1 1 A 90 90 LYS CA C 128 54.750 58.757 -4.007 1
1 1021 . 18 1 1 A 90 90 LYS CB C 128 29.280 32.152 -2.872 1
1 1022 . 18 1 1 A 90 90 LYS N N 128 119.230 117.947 1.283 1
1 1023 . 18 1 1 A 91 91 LEU H H 129 7.640 7.081 0.559 1
1 1024 . 18 1 1 A 91 91 LEU HA H 129 4.250 3.333 0.917 1
1 1034 . 18 1 1 A 91 91 LEU CA C 129 52.280 55.871 -3.591 1
1 1035 . 18 1 1 A 91 91 LEU CB C 129 39.000 40.668 -1.668 1
1 1039 . 18 1 1 A 91 91 LEU N N 129 112.650 121.120 -8.470 1
1 1040 . 18 1 1 A 92 92 ASN H H 130 7.560 7.711 -0.151 1
1 1041 . 18 1 1 A 92 92 ASN HA H 130 4.300 4.575 -0.275 1
1 1046 . 18 1 1 A 92 92 ASN C C 130 172.034 175.871 -3.837 1
1 1047 . 18 1 1 A 92 92 ASN CA C 130 55.070 56.753 -1.683 1
1 1048 . 18 1 1 A 92 92 ASN CB C 130 32.670 38.786 -6.116 1
1 1049 . 18 1 1 A 92 92 ASN N N 130 111.100 117.394 -6.294 1
1 1051 . 18 1 1 A 93 93 PRO HA H 131 4.220 4.451 -0.231 1
1 1058 . 18 1 1 A 93 93 PRO C C 131 173.540 176.920 -3.380 1
1 1059 . 18 1 1 A 93 93 PRO CA C 131 62.300 65.003 -2.703 1
1 1060 . 18 1 1 A 93 93 PRO CB C 131 28.140 31.585 -3.445 1
1 1062 . 18 1 1 A 94 94 TYR H H 132 7.630 8.022 -0.392 1
1 1063 . 18 1 1 A 94 94 TYR HA H 132 4.630 4.457 0.173 1
1 1068 . 18 1 1 A 94 94 TYR C C 132 172.700 175.207 -2.507 1
1 1069 . 18 1 1 A 94 94 TYR CA C 132 54.130 57.700 -3.570 1
1 1070 . 18 1 1 A 94 94 TYR CB C 132 36.500 39.918 -3.418 1
1 1071 . 18 1 1 A 94 94 TYR N N 132 114.100 117.041 -2.941 1
1 1072 . 18 1 1 A 95 95 ARG H H 133 7.250 8.675 -1.425 1
1 1073 . 18 1 1 A 95 95 ARG HA H 133 4.290 4.036 0.254 1
1 1081 . 18 1 1 A 95 95 ARG C C 133 173.763 176.472 -2.709 1
1 1082 . 18 1 1 A 95 95 ARG CA C 133 54.740 57.339 -2.599 1
1 1083 . 18 1 1 A 95 95 ARG CB C 133 27.880 30.101 -2.221 1
1 1086 . 18 1 1 A 95 95 ARG N N 133 119.390 121.568 -2.178 1
1 1088 . 18 1 1 A 96 96 LYS H H 134 8.658 8.723 -0.065 1
1 1089 . 18 1 1 A 96 96 LYS HA H 134 4.490 3.862 0.628 1
1 1098 . 18 1 1 A 96 96 LYS C C 134 173.560 176.260 -2.700 1
1 1099 . 18 1 1 A 96 96 LYS CA C 134 52.580 58.106 -5.526 1
1 1100 . 18 1 1 A 96 96 LYS CB C 134 30.590 30.506 0.084 1
1 1104 . 18 1 1 A 96 96 LYS N N 134 125.000 121.870 3.130 1
1 1105 . 18 1 1 A 97 97 MET H H 135 8.330 7.795 0.535 1
1 1106 . 18 1 1 A 97 97 MET HA H 135 4.420 4.672 -0.252 1
1 1114 . 18 1 1 A 97 97 MET C C 135 172.970 176.569 -3.599 1
1 1115 . 18 1 1 A 97 97 MET CA C 135 52.490 54.627 -2.137 1
1 1116 . 18 1 1 A 97 97 MET CB C 135 30.530 32.760 -2.230 1
1 1118 . 18 1 1 A 97 97 MET N N 135 120.890 118.122 2.768 1
1 1119 . 18 1 1 A 98 98 ALA H H 136 8.290 8.005 0.285 1
1 1120 . 18 1 1 A 98 98 ALA HA H 136 4.180 4.354 -0.174 1
1 1124 . 18 1 1 A 98 98 ALA C C 136 173.767 176.425 -2.658 1
1 1125 . 18 1 1 A 98 98 ALA CA C 136 49.750 52.365 -2.615 1
1 1126 . 18 1 1 A 98 98 ALA CB C 136 16.350 18.021 -1.671 1
1 1127 . 18 1 1 A 98 98 ALA N N 136 126.050 123.942 2.108 1
1 1 . 19 1 1 A 3 3 VAL HA H 41 3.360 3.760 -0.400 1
1 9 . 19 1 1 A 3 3 VAL CA C 41 64.070 64.894 -0.824 1
1 10 . 19 1 1 A 3 3 VAL CB C 41 28.620 31.561 -2.941 1
1 13 . 19 1 1 A 4 4 LYS H H 42 8.223 8.238 -0.015 1
1 14 . 19 1 1 A 4 4 LYS HA H 42 3.610 4.021 -0.411 1
1 21 . 19 1 1 A 4 4 LYS C C 42 175.928 178.918 -2.990 1
1 22 . 19 1 1 A 4 4 LYS CA C 42 58.640 58.756 -0.116 1
1 23 . 19 1 1 A 4 4 LYS CB C 42 28.640 31.867 -3.227 1
1 25 . 19 1 1 A 4 4 LYS N N 42 118.080 120.356 -2.276 1
1 26 . 19 1 1 A 5 5 ARG H H 43 7.920 7.723 0.197 1
1 27 . 19 1 1 A 5 5 ARG HA H 43 4.060 4.061 -0.001 1
1 34 . 19 1 1 A 5 5 ARG C C 43 177.798 178.517 -0.719 1
1 35 . 19 1 1 A 5 5 ARG CA C 43 56.640 58.688 -2.048 1
1 36 . 19 1 1 A 5 5 ARG CB C 43 27.200 29.919 -2.719 1
1 38 . 19 1 1 A 5 5 ARG N N 43 117.720 119.786 -2.066 1
1 39 . 19 1 1 A 6 6 LEU H H 44 7.660 7.857 -0.197 1
1 40 . 19 1 1 A 6 6 LEU HA H 44 4.100 4.088 0.012 1
1 50 . 19 1 1 A 6 6 LEU C C 44 176.114 178.796 -2.682 1
1 51 . 19 1 1 A 6 6 LEU CA C 44 55.100 57.906 -2.806 1
1 52 . 19 1 1 A 6 6 LEU CB C 44 39.570 41.886 -2.316 1
1 56 . 19 1 1 A 6 6 LEU N N 44 121.040 120.707 0.333 1
1 57 . 19 1 1 A 7 7 LEU H H 45 7.520 7.898 -0.378 1
1 58 . 19 1 1 A 7 7 LEU HA H 45 4.350 4.200 0.150 1
1 68 . 19 1 1 A 7 7 LEU C C 45 172.937 178.354 -5.417 1
1 69 . 19 1 1 A 7 7 LEU CA C 45 51.480 57.089 -5.609 1
1 70 . 19 1 1 A 7 7 LEU CB C 45 40.300 41.455 -1.155 1
1 74 . 19 1 1 A 7 7 LEU N N 45 116.660 117.139 -0.479 1
1 75 . 19 1 1 A 8 8 SER H H 46 7.840 8.161 -0.321 1
1 76 . 19 1 1 A 8 8 SER HA H 46 3.960 4.341 -0.381 1
1 79 . 19 1 1 A 8 8 SER CA C 46 56.360 61.128 -4.768 1
1 80 . 19 1 1 A 8 8 SER CB C 46 58.870 62.944 -4.074 1
1 81 . 19 1 1 A 8 8 SER N N 46 113.750 115.984 -2.234 1
1 82 . 19 1 1 A 9 9 ILE H H 47 8.290 7.394 0.896 1
1 83 . 19 1 1 A 9 9 ILE HA H 47 4.230 4.427 -0.197 1
1 93 . 19 1 1 A 9 9 ILE C C 47 174.540 175.447 -0.907 1
1 94 . 19 1 1 A 9 9 ILE CA C 47 58.680 61.844 -3.164 1
1 95 . 19 1 1 A 9 9 ILE CB C 47 36.912 39.312 -2.400 1
1 99 . 19 1 1 A 9 9 ILE N N 47 119.850 112.117 7.733 1
1 100 . 19 1 1 A 10 10 THR H H 48 8.760 8.238 0.522 1
1 101 . 19 1 1 A 10 10 THR HA H 48 4.465 4.414 0.051 1
1 106 . 19 1 1 A 10 10 THR C C 48 171.266 174.746 -3.480 1
1 107 . 19 1 1 A 10 10 THR CA C 48 58.390 61.802 -3.412 1
1 108 . 19 1 1 A 10 10 THR CB C 48 66.310 66.315 -0.005 1
1 110 . 19 1 1 A 10 10 THR N N 48 117.590 117.092 0.498 1
1 111 . 19 1 1 A 11 11 ASN H H 49 7.360 7.945 -0.585 1
1 112 . 19 1 1 A 11 11 ASN HA H 49 4.909 4.777 0.132 1
1 117 . 19 1 1 A 11 11 ASN C C 49 172.506 174.704 -2.198 1
1 118 . 19 1 1 A 11 11 ASN CA C 49 49.430 54.084 -4.654 1
1 119 . 19 1 1 A 11 11 ASN CB C 49 37.420 41.194 -3.774 1
1 120 . 19 1 1 A 11 11 ASN N N 49 113.560 121.254 -7.694 1
1 122 . 19 1 1 A 12 12 ASP H H 50 8.256 8.049 0.207 1
1 123 . 19 1 1 A 12 12 ASP HA H 50 4.650 4.679 -0.029 1
1 126 . 19 1 1 A 12 12 ASP C C 50 176.400 176.713 -0.313 1
1 127 . 19 1 1 A 12 12 ASP CA C 50 51.210 53.137 -1.927 1
1 128 . 19 1 1 A 12 12 ASP CB C 50 38.080 41.861 -3.781 1
1 129 . 19 1 1 A 12 12 ASP N N 50 117.210 120.419 -3.209 1
1 130 . 19 1 1 A 13 13 LYS H H 51 7.895 8.862 -0.967 1
1 131 . 19 1 1 A 13 13 LYS HA H 51 3.840 4.160 -0.320 1
1 140 . 19 1 1 A 13 13 LYS C C 51 174.700 178.874 -4.174 1
1 141 . 19 1 1 A 13 13 LYS CA C 51 56.320 58.567 -2.247 1
1 142 . 19 1 1 A 13 13 LYS CB C 51 29.760 32.478 -2.718 1
1 146 . 19 1 1 A 13 13 LYS N N 51 120.500 124.032 -3.532 1
1 147 . 19 1 1 A 14 14 HIS H H 52 9.000 7.949 1.051 1
1 148 . 19 1 1 A 14 14 HIS HA H 52 5.120 4.604 0.516 1
1 152 . 19 1 1 A 14 14 HIS C C 52 173.200 176.344 -3.144 1
1 153 . 19 1 1 A 14 14 HIS CA C 52 52.370 58.216 -5.846 1
1 154 . 19 1 1 A 14 14 HIS CB C 52 27.520 28.799 -1.279 1
1 155 . 19 1 1 A 14 14 HIS N N 52 116.200 117.112 -0.912 1
1 156 . 19 1 1 A 15 15 ASP H H 53 7.640 8.348 -0.708 1
1 157 . 19 1 1 A 15 15 ASP HA H 53 4.120 4.281 -0.161 1
1 160 . 19 1 1 A 15 15 ASP C C 53 176.183 178.408 -2.225 1
1 161 . 19 1 1 A 15 15 ASP CA C 53 56.060 57.819 -1.759 1
1 162 . 19 1 1 A 15 15 ASP CB C 53 36.350 42.129 -5.779 1
1 163 . 19 1 1 A 15 15 ASP N N 53 122.780 121.858 0.922 1
1 164 . 19 1 1 A 16 16 GLU H H 54 8.890 7.988 0.902 1
1 165 . 19 1 1 A 16 16 GLU HA H 54 4.020 3.921 0.099 1
1 170 . 19 1 1 A 16 16 GLU CA C 54 57.770 58.953 -1.183 1
1 171 . 19 1 1 A 16 16 GLU CB C 54 26.330 29.611 -3.281 1
1 173 . 19 1 1 A 16 16 GLU N N 54 122.770 118.788 3.982 1
1 174 . 19 1 1 A 17 17 TYR H H 55 8.130 8.077 0.053 1
1 175 . 19 1 1 A 17 17 TYR HA H 55 4.390 4.114 0.276 1
1 180 . 19 1 1 A 17 17 TYR C C 55 175.213 177.824 -2.611 1
1 181 . 19 1 1 A 17 17 TYR CA C 55 58.150 61.264 -3.114 1
1 182 . 19 1 1 A 17 17 TYR CB C 55 36.000 38.688 -2.688 1
1 185 . 19 1 1 A 17 17 TYR N N 55 121.000 121.788 -0.788 1
1 186 . 19 1 1 A 18 18 LEU H H 56 8.740 8.356 0.384 1
1 187 . 19 1 1 A 18 18 LEU HA H 56 3.710 3.746 -0.036 1
1 197 . 19 1 1 A 18 18 LEU C C 56 175.500 178.524 -3.024 1
1 198 . 19 1 1 A 18 18 LEU CA C 56 55.470 57.942 -2.472 1
1 199 . 19 1 1 A 18 18 LEU CB C 56 39.920 40.935 -1.015 1
1 203 . 19 1 1 A 18 18 LEU N N 56 118.100 119.839 -1.739 1
1 204 . 19 1 1 A 19 19 THR H H 57 8.420 7.820 0.600 1
1 205 . 19 1 1 A 19 19 THR HA H 57 3.820 3.846 -0.026 1
1 210 . 19 1 1 A 19 19 THR C C 57 172.234 176.459 -4.225 1
1 211 . 19 1 1 A 19 19 THR CA C 57 64.220 65.564 -1.344 1
1 212 . 19 1 1 A 19 19 THR CB C 57 66.050 68.177 -2.127 1
1 214 . 19 1 1 A 19 19 THR N N 57 114.940 110.832 4.108 1
1 215 . 19 1 1 A 20 20 GLU H H 58 7.087 8.373 -1.286 1
1 216 . 19 1 1 A 20 20 GLU HA H 58 4.320 4.034 0.286 1
1 221 . 19 1 1 A 20 20 GLU C C 58 175.554 178.612 -3.058 1
1 222 . 19 1 1 A 20 20 GLU CA C 58 55.170 59.104 -3.934 1
1 223 . 19 1 1 A 20 20 GLU CB C 58 27.920 28.313 -0.393 1
1 225 . 19 1 1 A 20 20 GLU N N 58 117.800 120.379 -2.579 1
1 226 . 19 1 1 A 21 21 MET H H 59 8.320 7.929 0.391 1
1 227 . 19 1 1 A 21 21 MET HA H 59 4.330 3.562 0.768 1
1 235 . 19 1 1 A 21 21 MET C C 59 175.330 178.326 -2.996 1
1 236 . 19 1 1 A 21 21 MET CA C 59 54.270 58.448 -4.178 1
1 237 . 19 1 1 A 21 21 MET CB C 59 30.620 32.170 -1.550 1
1 240 . 19 1 1 A 21 21 MET N N 59 116.300 119.571 -3.271 1
1 241 . 19 1 1 A 22 22 VAL H H 60 8.800 7.519 1.281 1
1 242 . 19 1 1 A 22 22 VAL HA H 60 3.630 3.570 0.060 1
1 250 . 19 1 1 A 22 22 VAL C C 60 172.042 174.686 -2.644 1
1 251 . 19 1 1 A 22 22 VAL CA C 60 66.980 67.352 -0.372 1
1 252 . 19 1 1 A 22 22 VAL CB C 60 26.120 29.611 -3.491 1
1 255 . 19 1 1 A 22 22 VAL N N 60 117.600 119.430 -1.830 1
1 256 . 19 1 1 A 23 23 PRO HA H 61 4.270 4.327 -0.057 1
1 263 . 19 1 1 A 23 23 PRO C C 61 177.110 179.268 -2.158 1
1 264 . 19 1 1 A 23 23 PRO CA C 61 63.460 65.584 -2.124 1
1 265 . 19 1 1 A 23 23 PRO CB C 61 28.400 30.993 -2.593 1
1 267 . 19 1 1 A 24 24 LEU H H 62 6.700 7.285 -0.585 1
1 268 . 19 1 1 A 24 24 LEU HA H 62 4.250 4.097 0.153 1
1 278 . 19 1 1 A 24 24 LEU C C 62 177.872 179.002 -1.130 1
1 279 . 19 1 1 A 24 24 LEU CA C 62 55.130 57.997 -2.867 1
1 280 . 19 1 1 A 24 24 LEU CB C 62 39.440 42.126 -2.686 1
1 284 . 19 1 1 A 24 24 LEU N N 62 115.750 117.626 -1.876 1
1 285 . 19 1 1 A 25 25 LEU H H 63 8.190 7.856 0.334 1
1 286 . 19 1 1 A 25 25 LEU HA H 63 3.920 4.088 -0.168 1
1 296 . 19 1 1 A 25 25 LEU C C 63 176.367 178.757 -2.390 1
1 297 . 19 1 1 A 25 25 LEU CA C 63 54.950 58.465 -3.515 1
1 298 . 19 1 1 A 25 25 LEU CB C 63 41.090 42.095 -1.005 1
1 302 . 19 1 1 A 25 25 LEU N N 63 121.800 120.259 1.541 1
1 303 . 19 1 1 A 26 26 VAL H H 64 8.590 8.838 -0.248 1
1 304 . 19 1 1 A 26 26 VAL HA H 64 3.480 3.676 -0.196 1
1 312 . 19 1 1 A 26 26 VAL C C 64 174.801 178.083 -3.282 1
1 313 . 19 1 1 A 26 26 VAL CA C 64 64.860 67.197 -2.337 1
1 314 . 19 1 1 A 26 26 VAL CB C 64 28.900 31.302 -2.402 1
1 317 . 19 1 1 A 26 26 VAL N N 64 120.990 119.542 1.448 1
1 318 . 19 1 1 A 27 27 GLU H H 65 8.090 8.253 -0.163 1
1 319 . 19 1 1 A 27 27 GLU HA H 65 3.970 4.150 -0.180 1
1 324 . 19 1 1 A 27 27 GLU C C 65 176.169 178.963 -2.794 1
1 325 . 19 1 1 A 27 27 GLU CA C 65 56.990 59.421 -2.431 1
1 326 . 19 1 1 A 27 27 GLU CB C 65 26.540 29.366 -2.826 1
1 328 . 19 1 1 A 27 27 GLU N N 65 118.990 121.309 -2.319 1
1 329 . 19 1 1 A 28 28 PHE H H 66 8.075 8.098 -0.023 1
1 330 . 19 1 1 A 28 28 PHE HA H 66 4.570 4.300 0.270 1
1 337 . 19 1 1 A 28 28 PHE C C 66 173.482 177.629 -4.147 1
1 338 . 19 1 1 A 28 28 PHE CA C 66 58.390 61.765 -3.375 1
1 339 . 19 1 1 A 28 28 PHE CB C 66 36.680 39.392 -2.712 1
1 340 . 19 1 1 A 28 28 PHE N N 66 119.000 121.179 -2.179 1
1 341 . 19 1 1 A 29 29 ALA H H 67 8.420 8.783 -0.363 1
1 342 . 19 1 1 A 29 29 ALA HA H 67 3.500 3.759 -0.259 1
1 346 . 19 1 1 A 29 29 ALA C C 67 176.624 180.302 -3.678 1
1 347 . 19 1 1 A 29 29 ALA CA C 67 52.800 54.908 -2.108 1
1 348 . 19 1 1 A 29 29 ALA CB C 67 15.290 18.250 -2.960 1
1 349 . 19 1 1 A 29 29 ALA N N 67 121.810 121.055 0.755 1
1 350 . 19 1 1 A 30 30 LYS H H 68 8.227 7.853 0.374 1
1 351 . 19 1 1 A 30 30 LYS HA H 68 4.090 4.016 0.074 1
1 360 . 19 1 1 A 30 30 LYS C C 68 177.400 179.014 -1.614 1
1 361 . 19 1 1 A 30 30 LYS CA C 68 56.700 58.912 -2.212 1
1 362 . 19 1 1 A 30 30 LYS CB C 68 31.230 31.356 -0.126 1
1 366 . 19 1 1 A 30 30 LYS N N 68 117.500 118.255 -0.755 1
1 367 . 19 1 1 A 31 31 ASP H H 69 7.820 8.136 -0.316 1
1 368 . 19 1 1 A 31 31 ASP HA H 69 4.210 4.723 -0.513 1
1 371 . 19 1 1 A 31 31 ASP C C 69 176.438 178.477 -2.039 1
1 372 . 19 1 1 A 31 31 ASP CA C 69 54.310 57.035 -2.725 1
1 373 . 19 1 1 A 31 31 ASP CB C 69 38.320 41.461 -3.141 1
1 374 . 19 1 1 A 31 31 ASP N N 69 120.370 120.202 0.168 1
1 375 . 19 1 1 A 32 32 GLU H H 70 8.840 8.536 0.304 1
1 376 . 19 1 1 A 32 32 GLU HA H 70 3.730 4.051 -0.321 1
1 381 . 19 1 1 A 32 32 GLU C C 70 176.119 178.550 -2.431 1
1 382 . 19 1 1 A 32 32 GLU CA C 70 55.270 59.203 -3.933 1
1 383 . 19 1 1 A 32 32 GLU CB C 70 26.810 29.522 -2.712 1
1 385 . 19 1 1 A 32 32 GLU N N 70 120.750 118.129 2.621 1
1 386 . 19 1 1 A 33 33 CYS H H 71 7.960 8.141 -0.181 1
1 387 . 19 1 1 A 33 33 CYS HA H 71 4.070 4.461 -0.391 1
1 390 . 19 1 1 A 33 33 CYS C C 71 170.993 174.686 -3.693 1
1 391 . 19 1 1 A 33 33 CYS CA C 71 58.160 60.941 -2.781 1
1 392 . 19 1 1 A 33 33 CYS CB C 71 26.000 28.354 -2.354 1
1 393 . 19 1 1 A 33 33 CYS N N 71 111.530 117.986 -6.456 1
1 394 . 19 1 1 A 34 34 HIS H H 72 7.560 8.104 -0.544 1
1 395 . 19 1 1 A 34 34 HIS HA H 72 4.040 4.606 -0.566 1
1 398 . 19 1 1 A 34 34 HIS C C 72 170.400 173.802 -3.402 1
1 399 . 19 1 1 A 34 34 HIS CA C 72 53.230 57.972 -4.742 1
1 400 . 19 1 1 A 34 34 HIS CB C 72 23.830 27.420 -3.590 1
1 401 . 19 1 1 A 34 34 HIS N N 72 118.100 117.935 0.165 1
1 402 . 19 1 1 A 35 35 ASN H H 73 7.590 7.613 -0.023 1
1 403 . 19 1 1 A 35 35 ASN HA H 73 4.805 5.143 -0.338 1
1 408 . 19 1 1 A 35 35 ASN C C 73 170.429 174.396 -3.967 1
1 409 . 19 1 1 A 35 35 ASN CA C 73 46.130 50.660 -4.530 1
1 410 . 19 1 1 A 35 35 ASN CB C 73 39.580 41.006 -1.426 1
1 411 . 19 1 1 A 35 35 ASN N N 73 112.400 113.769 -1.369 1
1 413 . 19 1 1 A 36 36 PRO HA H 74 4.120 4.073 0.047 1
1 420 . 19 1 1 A 36 36 PRO C C 74 173.450 176.839 -3.389 1
1 421 . 19 1 1 A 36 36 PRO CA C 74 59.950 63.022 -3.072 1
1 422 . 19 1 1 A 36 36 PRO CB C 74 29.200 32.460 -3.260 1
1 425 . 19 1 1 A 37 37 PHE H H 75 8.057 7.594 0.463 1
1 426 . 19 1 1 A 37 37 PHE HA H 75 4.200 4.213 -0.013 1
1 432 . 19 1 1 A 37 37 PHE C C 75 171.107 174.734 -3.627 1
1 433 . 19 1 1 A 37 37 PHE CA C 75 55.120 58.663 -3.543 1
1 434 . 19 1 1 A 37 37 PHE CB C 75 33.760 36.384 -2.624 1
1 436 . 19 1 1 A 38 38 ILE H H 76 7.610 7.636 -0.026 1
1 437 . 19 1 1 A 38 38 ILE HA H 76 4.870 4.842 0.028 1
1 447 . 19 1 1 A 38 38 ILE C C 76 174.180 175.210 -1.030 1
1 448 . 19 1 1 A 38 38 ILE CA C 76 56.300 59.657 -3.357 1
1 449 . 19 1 1 A 38 38 ILE CB C 76 38.040 40.144 -2.104 1
1 453 . 19 1 1 A 38 38 ILE N N 76 113.800 119.670 -5.870 1
1 454 . 19 1 1 A 39 39 ASP H H 77 8.830 8.674 0.156 1
1 455 . 19 1 1 A 39 39 ASP HA H 77 4.710 4.962 -0.252 1
1 458 . 19 1 1 A 39 39 ASP C C 77 175.969 176.861 -0.892 1
1 459 . 19 1 1 A 39 39 ASP CA C 77 49.800 51.662 -1.862 1
1 460 . 19 1 1 A 39 39 ASP CB C 77 39.180 42.635 -3.455 1
1 461 . 19 1 1 A 39 39 ASP N N 77 125.380 124.810 0.570 1
1 462 . 19 1 1 A 40 40 LYS H H 78 8.370 8.839 -0.469 1
1 463 . 19 1 1 A 40 40 LYS HA H 78 4.100 4.007 0.093 1
1 468 . 19 1 1 A 40 40 LYS C C 78 174.100 177.356 -3.256 1
1 469 . 19 1 1 A 40 40 LYS CA C 78 55.800 58.747 -2.947 1
1 470 . 19 1 1 A 40 40 LYS CB C 78 29.120 32.368 -3.248 1
1 471 . 19 1 1 A 40 40 LYS N N 78 116.800 120.189 -3.389 1
1 472 . 19 1 1 A 41 41 ASP H H 79 8.030 7.474 0.556 1
1 473 . 19 1 1 A 41 41 ASP HA H 79 4.810 4.811 -0.001 1
1 476 . 19 1 1 A 41 41 ASP C C 79 173.360 176.393 -3.033 1
1 477 . 19 1 1 A 41 41 ASP CA C 79 51.650 53.808 -2.158 1
1 478 . 19 1 1 A 41 41 ASP CB C 79 39.570 41.064 -1.494 1
1 479 . 19 1 1 A 41 41 ASP N N 79 118.660 118.297 0.363 1
1 480 . 19 1 1 A 42 42 GLY H H 80 8.090 8.526 -0.436 1
1 481 . 19 1 1 A 42 42 GLY HA2 H 80 4.230 3.951 0.279 1
1 482 . 19 1 1 A 42 42 GLY HA3 H 80 3.490 3.952 -0.462 1
1 483 . 19 1 1 A 42 42 GLY C C 80 171.399 174.153 -2.754 1
1 484 . 19 1 1 A 42 42 GLY CA C 80 42.720 46.219 -3.499 1
1 485 . 19 1 1 A 42 42 GLY N N 80 107.750 108.741 -0.991 1
1 486 . 19 1 1 A 43 43 ASN H H 81 8.470 8.068 0.402 1
1 487 . 19 1 1 A 43 43 ASN HA H 81 4.815 5.169 -0.354 1
1 492 . 19 1 1 A 43 43 ASN C C 81 172.066 174.948 -2.882 1
1 493 . 19 1 1 A 43 43 ASN CA C 81 49.580 52.158 -2.578 1
1 494 . 19 1 1 A 43 43 ASN CB C 81 36.800 41.055 -4.255 1
1 495 . 19 1 1 A 43 43 ASN N N 81 117.600 118.005 -0.405 1
1 497 . 19 1 1 A 44 44 GLU H H 82 8.730 8.453 0.277 1
1 498 . 19 1 1 A 44 44 GLU HA H 82 4.370 4.394 -0.024 1
1 503 . 19 1 1 A 44 44 GLU C C 82 173.651 175.699 -2.048 1
1 504 . 19 1 1 A 44 44 GLU CA C 82 55.170 56.787 -1.617 1
1 505 . 19 1 1 A 44 44 GLU CB C 82 27.740 30.015 -2.275 1
1 507 . 19 1 1 A 44 44 GLU N N 82 123.400 121.271 2.129 1
1 508 . 19 1 1 A 45 45 SER H H 83 8.960 8.867 0.093 1
1 509 . 19 1 1 A 45 45 SER HA H 83 4.510 5.329 -0.819 1
1 512 . 19 1 1 A 45 45 SER C C 83 170.100 173.534 -3.434 1
1 513 . 19 1 1 A 45 45 SER CA C 83 53.800 56.693 -2.893 1
1 514 . 19 1 1 A 45 45 SER CB C 83 60.320 65.167 -4.847 1
1 515 . 19 1 1 A 45 45 SER N N 83 123.400 117.160 6.240 1
1 516 . 19 1 1 A 46 46 ILE H H 84 8.990 8.930 0.060 1
1 517 . 19 1 1 A 46 46 ILE HA H 84 3.880 4.716 -0.836 1
1 527 . 19 1 1 A 46 46 ILE C C 84 177.600 174.398 3.202 1
1 528 . 19 1 1 A 46 46 ILE CA C 84 55.490 57.615 -2.125 1
1 529 . 19 1 1 A 46 46 ILE CB C 84 34.850 41.784 -6.934 1
1 533 . 19 1 1 A 46 46 ILE N N 84 127.800 127.087 0.713 1
1 534 . 19 1 1 A 47 47 PRO HA H 85 3.840 4.776 -0.936 1
1 541 . 19 1 1 A 47 47 PRO C C 85 172.918 177.092 -4.174 1
1 542 . 19 1 1 A 47 47 PRO CA C 85 61.880 62.065 -0.185 1
1 543 . 19 1 1 A 47 47 PRO CB C 85 34.920 33.219 1.701 1
1 546 . 19 1 1 A 48 48 SER H H 86 7.780 8.711 -0.931 1
1 547 . 19 1 1 A 48 48 SER C C 86 174.554 176.872 -2.318 1
1 548 . 19 1 1 A 49 49 GLY H H 87 8.230 8.329 -0.099 1
1 549 . 19 1 1 A 49 49 GLY HA2 H 87 4.300 3.810 0.490 1
1 550 . 19 1 1 A 49 49 GLY HA3 H 87 3.950 3.810 0.140 1
1 551 . 19 1 1 A 49 49 GLY C C 87 173.507 175.868 -2.361 1
1 552 . 19 1 1 A 49 49 GLY CA C 87 44.600 47.360 -2.760 1
1 553 . 19 1 1 A 49 49 GLY N N 87 105.900 109.132 -3.232 1
1 554 . 19 1 1 A 50 50 VAL H H 88 6.855 7.971 -1.116 1
1 555 . 19 1 1 A 50 50 VAL HA H 88 3.510 3.743 -0.233 1
1 563 . 19 1 1 A 50 50 VAL C C 88 174.450 177.943 -3.493 1
1 564 . 19 1 1 A 50 50 VAL CA C 88 62.420 65.982 -3.562 1
1 565 . 19 1 1 A 50 50 VAL CB C 88 28.000 31.180 -3.180 1
1 568 . 19 1 1 A 50 50 VAL N N 88 119.950 121.989 -2.039 1
1 569 . 19 1 1 A 51 51 LEU H H 89 7.360 7.566 -0.206 1
1 570 . 19 1 1 A 51 51 LEU HA H 89 3.570 4.037 -0.467 1
1 580 . 19 1 1 A 51 51 LEU C C 89 175.078 178.242 -3.164 1
1 581 . 19 1 1 A 51 51 LEU CA C 89 55.490 57.979 -2.489 1
1 582 . 19 1 1 A 51 51 LEU CB C 89 37.320 41.629 -4.309 1
1 586 . 19 1 1 A 51 51 LEU N N 89 122.100 121.398 0.702 1
1 587 . 19 1 1 A 52 52 ILE H H 90 7.770 7.643 0.127 1
1 588 . 19 1 1 A 52 52 ILE HA H 90 3.600 3.820 -0.220 1
1 598 . 19 1 1 A 52 52 ILE C C 90 175.000 178.061 -3.061 1
1 599 . 19 1 1 A 52 52 ILE CA C 90 62.720 64.302 -1.582 1
1 600 . 19 1 1 A 52 52 ILE CB C 90 34.510 37.253 -2.743 1
1 604 . 19 1 1 A 52 52 ILE N N 90 117.460 115.584 1.876 1
1 605 . 19 1 1 A 53 53 PHE H H 91 7.400 8.077 -0.677 1
1 606 . 19 1 1 A 53 53 PHE HA H 91 3.900 4.180 -0.280 1
1 613 . 19 1 1 A 53 53 PHE C C 91 172.073 177.064 -4.991 1
1 614 . 19 1 1 A 53 53 PHE CA C 91 59.340 61.382 -2.042 1
1 615 . 19 1 1 A 53 53 PHE CB C 91 35.540 39.108 -3.568 1
1 616 . 19 1 1 A 53 53 PHE N N 91 119.280 124.468 -5.188 1
1 617 . 19 1 1 A 54 54 VAL H H 92 8.450 7.762 0.688 1
1 618 . 19 1 1 A 54 54 VAL HA H 92 2.850 3.245 -0.395 1
1 626 . 19 1 1 A 54 54 VAL C C 92 174.300 177.888 -3.588 1
1 627 . 19 1 1 A 54 54 VAL CA C 92 63.860 64.982 -1.122 1
1 628 . 19 1 1 A 54 54 VAL CB C 92 28.570 30.938 -2.368 1
1 631 . 19 1 1 A 54 54 VAL N N 92 119.170 117.925 1.245 1
1 632 . 19 1 1 A 55 55 ALA H H 93 8.615 8.023 0.592 1
1 633 . 19 1 1 A 55 55 ALA HA H 93 3.750 3.927 -0.177 1
1 637 . 19 1 1 A 55 55 ALA C C 93 176.294 179.489 -3.195 1
1 638 . 19 1 1 A 55 55 ALA CA C 93 52.800 55.669 -2.869 1
1 639 . 19 1 1 A 55 55 ALA CB C 93 16.050 18.413 -2.363 1
1 640 . 19 1 1 A 55 55 ALA N N 93 120.170 123.891 -3.721 1
1 641 . 19 1 1 A 56 56 LYS H H 94 8.548 7.844 0.704 1
1 642 . 19 1 1 A 56 56 LYS HA H 94 3.980 4.130 -0.150 1
1 649 . 19 1 1 A 56 56 LYS C C 94 177.600 178.943 -1.343 1
1 650 . 19 1 1 A 56 56 LYS CA C 94 55.800 59.137 -3.337 1
1 651 . 19 1 1 A 56 56 LYS CB C 94 29.500 31.961 -2.461 1
1 654 . 19 1 1 A 56 56 LYS N N 94 115.200 116.425 -1.225 1
1 655 . 19 1 1 A 57 57 ALA H H 95 8.840 8.034 0.806 1
1 656 . 19 1 1 A 57 57 ALA HA H 95 3.940 4.101 -0.161 1
1 660 . 19 1 1 A 57 57 ALA C C 95 175.754 180.013 -4.259 1
1 661 . 19 1 1 A 57 57 ALA CA C 95 52.670 55.110 -2.440 1
1 662 . 19 1 1 A 57 57 ALA CB C 95 16.070 18.057 -1.987 1
1 663 . 19 1 1 A 57 57 ALA N N 95 124.210 122.274 1.936 1
1 664 . 19 1 1 A 58 58 ALA H H 96 8.816 7.558 1.258 1
1 665 . 19 1 1 A 58 58 ALA HA H 96 4.043 4.276 -0.233 1
1 669 . 19 1 1 A 58 58 ALA C C 96 177.600 179.634 -2.034 1
1 670 . 19 1 1 A 58 58 ALA CA C 96 52.770 54.775 -2.005 1
1 671 . 19 1 1 A 58 58 ALA CB C 96 13.560 18.322 -4.762 1
1 672 . 19 1 1 A 58 58 ALA N N 96 120.500 120.185 0.315 1
1 673 . 19 1 1 A 59 59 GLN H H 97 8.490 8.296 0.194 1
1 674 . 19 1 1 A 59 59 GLN HA H 97 3.960 4.044 -0.084 1
1 681 . 19 1 1 A 59 59 GLN C C 97 175.100 178.151 -3.051 1
1 682 . 19 1 1 A 59 59 GLN CA C 97 56.370 58.180 -1.810 1
1 683 . 19 1 1 A 59 59 GLN CB C 97 26.500 27.695 -1.195 1
1 684 . 19 1 1 A 59 59 GLN N N 97 118.750 116.278 2.472 1
1 686 . 19 1 1 A 60 60 PHE H H 98 8.020 7.936 0.084 1
1 687 . 19 1 1 A 60 60 PHE HA H 98 4.120 4.227 -0.107 1
1 694 . 19 1 1 A 60 60 PHE C C 98 174.780 177.444 -2.664 1
1 695 . 19 1 1 A 60 60 PHE CA C 98 58.650 61.544 -2.894 1
1 696 . 19 1 1 A 60 60 PHE CB C 98 35.240 39.721 -4.481 1
1 697 . 19 1 1 A 60 60 PHE N N 98 122.380 121.818 0.562 1
1 698 . 19 1 1 A 61 61 TYR H H 99 7.900 8.493 -0.593 1
1 699 . 19 1 1 A 61 61 TYR HA H 99 3.900 4.484 -0.584 1
1 704 . 19 1 1 A 61 61 TYR C C 99 175.494 177.740 -2.246 1
1 705 . 19 1 1 A 61 61 TYR CA C 99 60.600 60.632 -0.032 1
1 706 . 19 1 1 A 61 61 TYR CB C 99 36.120 37.382 -1.262 1
1 707 . 19 1 1 A 61 61 TYR N N 99 118.100 118.801 -0.701 1
1 708 . 19 1 1 A 62 62 MET H H 100 8.170 7.429 0.741 1
1 709 . 19 1 1 A 62 62 MET HA H 100 3.810 3.720 0.090 1
1 717 . 19 1 1 A 62 62 MET C C 100 175.130 178.084 -2.954 1
1 718 . 19 1 1 A 62 62 MET CA C 100 56.270 57.720 -1.450 1
1 719 . 19 1 1 A 62 62 MET CB C 100 31.260 31.754 -0.494 1
1 722 . 19 1 1 A 62 62 MET N N 100 118.350 120.139 -1.789 1
1 723 . 19 1 1 A 63 63 THR H H 101 7.720 7.852 -0.132 1
1 724 . 19 1 1 A 63 63 THR HA H 101 4.120 4.252 -0.132 1
1 729 . 19 1 1 A 63 63 THR C C 101 172.265 175.391 -3.126 1
1 730 . 19 1 1 A 63 63 THR CA C 101 60.060 64.397 -4.337 1
1 731 . 19 1 1 A 63 63 THR CB C 101 66.880 68.087 -1.207 1
1 733 . 19 1 1 A 63 63 THR N N 101 110.720 113.185 -2.465 1
1 734 . 19 1 1 A 64 64 ASN H H 102 7.620 8.068 -0.448 1
1 735 . 19 1 1 A 64 64 ASN HA H 102 4.541 4.709 -0.168 1
1 740 . 19 1 1 A 64 64 ASN C C 102 172.591 176.773 -4.182 1
1 741 . 19 1 1 A 64 64 ASN CA C 102 51.480 54.300 -2.820 1
1 742 . 19 1 1 A 64 64 ASN CB C 102 36.830 38.597 -1.767 1
1 743 . 19 1 1 A 64 64 ASN N N 102 114.000 119.416 -5.416 1
1 745 . 19 1 1 A 65 65 ALA H H 103 8.060 7.756 0.304 1
1 746 . 19 1 1 A 65 65 ALA HA H 103 4.183 4.547 -0.364 1
1 750 . 19 1 1 A 65 65 ALA C C 103 176.032 178.430 -2.398 1
1 751 . 19 1 1 A 65 65 ALA CA C 103 51.130 52.032 -0.902 1
1 752 . 19 1 1 A 65 65 ALA CB C 103 16.230 19.253 -3.023 1
1 753 . 19 1 1 A 65 65 ALA N N 103 123.910 121.184 2.726 1
1 754 . 19 1 1 A 66 66 GLY H H 104 8.220 8.386 -0.166 1
1 755 . 19 1 1 A 66 66 GLY HA2 H 104 3.883 3.906 -0.023 1
1 756 . 19 1 1 A 66 66 GLY C C 104 172.222 175.356 -3.134 1
1 757 . 19 1 1 A 66 66 GLY CA C 104 43.170 46.281 -3.111 1
1 758 . 19 1 1 A 66 66 GLY N N 104 106.420 107.603 -1.183 1
1 759 . 19 1 1 A 67 67 LEU H H 105 7.890 7.044 0.846 1
1 760 . 19 1 1 A 67 67 LEU HA H 105 4.290 4.576 -0.286 1
1 770 . 19 1 1 A 67 67 LEU C C 105 175.406 176.752 -1.346 1
1 771 . 19 1 1 A 67 67 LEU CA C 105 53.110 55.488 -2.378 1
1 772 . 19 1 1 A 67 67 LEU CB C 105 39.740 43.121 -3.381 1
1 776 . 19 1 1 A 67 67 LEU N N 105 120.570 116.922 3.648 1
1 777 . 19 1 1 A 68 68 THR H H 106 7.940 7.844 0.096 1
1 778 . 19 1 1 A 68 68 THR HA H 106 4.330 4.549 -0.219 1
1 783 . 19 1 1 A 68 68 THR C C 106 172.806 174.544 -1.738 1
1 784 . 19 1 1 A 68 68 THR CA C 106 59.700 61.117 -1.417 1
1 785 . 19 1 1 A 68 68 THR CB C 106 67.140 68.900 -1.760 1
1 787 . 19 1 1 A 68 68 THR N N 106 111.750 114.536 -2.786 1
1 788 . 19 1 1 A 69 69 GLY H H 107 8.340 8.180 0.160 1
1 789 . 19 1 1 A 69 69 GLY HA2 H 107 3.940 4.052 -0.112 1
1 790 . 19 1 1 A 69 69 GLY C C 107 171.503 174.777 -3.274 1
1 791 . 19 1 1 A 69 69 GLY CA C 107 42.990 44.556 -1.566 1
1 792 . 19 1 1 A 69 69 GLY N N 107 110.910 111.194 -0.284 1
1 793 . 19 1 1 A 70 70 ARG H H 108 7.930 8.512 -0.582 1
1 794 . 19 1 1 A 70 70 ARG HA H 108 4.355 4.316 0.039 1
1 801 . 19 1 1 A 70 70 ARG C C 108 173.543 175.906 -2.363 1
1 802 . 19 1 1 A 70 70 ARG CA C 108 53.170 57.409 -4.239 1
1 803 . 19 1 1 A 70 70 ARG CB C 108 28.470 31.928 -3.458 1
1 806 . 19 1 1 A 70 70 ARG N N 108 119.900 119.349 0.551 1
1 807 . 19 1 1 A 71 71 SER H H 109 8.400 8.198 0.202 1
1 808 . 19 1 1 A 71 71 SER HA H 109 4.409 4.373 0.036 1
1 811 . 19 1 1 A 71 71 SER C C 109 172.430 173.841 -1.411 1
1 812 . 19 1 1 A 71 71 SER CA C 109 55.630 58.830 -3.200 1
1 813 . 19 1 1 A 71 71 SER CB C 109 61.060 61.785 -0.725 1
1 814 . 19 1 1 A 71 71 SER N N 109 116.970 116.582 0.388 1
1 815 . 19 1 1 A 72 72 MET H H 110 8.590 8.295 0.295 1
1 816 . 19 1 1 A 72 72 MET HA H 110 4.394 5.203 -0.809 1
1 822 . 19 1 1 A 72 72 MET C C 110 173.487 175.340 -1.853 1
1 823 . 19 1 1 A 72 72 MET CA C 110 53.320 53.528 -0.208 1
1 824 . 19 1 1 A 72 72 MET CB C 110 29.300 35.188 -5.888 1
1 825 . 19 1 1 A 72 72 MET N N 110 122.250 123.556 -1.306 1
1 826 . 19 1 1 A 73 73 ASP H H 111 8.260 9.000 -0.740 1
1 827 . 19 1 1 A 73 73 ASP HA H 111 4.514 4.835 -0.321 1
1 830 . 19 1 1 A 73 73 ASP C C 111 173.886 175.603 -1.717 1
1 831 . 19 1 1 A 73 73 ASP CA C 111 52.150 53.937 -1.787 1
1 832 . 19 1 1 A 73 73 ASP CB C 111 38.310 38.737 -0.427 1
1 833 . 19 1 1 A 73 73 ASP N N 111 119.420 121.351 -1.931 1
1 834 . 19 1 1 A 74 74 THR H H 112 7.900 8.607 -0.707 1
1 835 . 19 1 1 A 74 74 THR HA H 112 4.142 4.748 -0.606 1
1 840 . 19 1 1 A 74 74 THR C C 112 172.029 172.430 -0.401 1
1 841 . 19 1 1 A 74 74 THR CA C 112 59.640 62.140 -2.500 1
1 842 . 19 1 1 A 74 74 THR CB C 112 66.820 68.312 -1.492 1
1 844 . 19 1 1 A 74 74 THR N N 112 112.950 114.297 -1.347 1
1 845 . 19 1 1 A 75 75 VAL H H 113 7.840 8.715 -0.875 1
1 846 . 19 1 1 A 75 75 VAL HA H 113 3.950 4.452 -0.502 1
1 854 . 19 1 1 A 75 75 VAL C C 113 173.067 175.627 -2.560 1
1 855 . 19 1 1 A 75 75 VAL CA C 113 60.070 61.202 -1.132 1
1 856 . 19 1 1 A 75 75 VAL CB C 113 29.740 32.806 -3.066 1
1 859 . 19 1 1 A 75 75 VAL N N 113 121.540 122.612 -1.072 1
1 860 . 19 1 1 A 76 76 SER H H 114 8.020 8.177 -0.157 1
1 861 . 19 1 1 A 76 76 SER HA H 114 3.974 4.520 -0.546 1
1 864 . 19 1 1 A 76 76 SER C C 114 171.259 173.721 -2.462 1
1 865 . 19 1 1 A 76 76 SER CA C 114 55.100 59.780 -4.680 1
1 866 . 19 1 1 A 76 76 SER CB C 114 61.160 62.864 -1.704 1
1 867 . 19 1 1 A 76 76 SER N N 114 117.830 117.158 0.672 1
1 868 . 19 1 1 A 77 77 TYR H H 115 7.770 8.043 -0.273 1
1 869 . 19 1 1 A 77 77 TYR HA H 115 4.240 4.577 -0.337 1
1 874 . 19 1 1 A 77 77 TYR C C 115 172.865 174.265 -1.400 1
1 875 . 19 1 1 A 77 77 TYR CA C 115 55.100 56.161 -1.061 1
1 876 . 19 1 1 A 77 77 TYR CB C 115 36.110 40.594 -4.484 1
1 877 . 19 1 1 A 77 77 TYR N N 115 121.280 120.506 0.774 1
1 878 . 19 1 1 A 78 78 ASN HA H 116 4.790 4.246 0.544 1
1 883 . 19 1 1 A 78 78 ASN C C 116 172.080 174.321 -2.241 1
1 884 . 19 1 1 A 78 78 ASN CA C 116 48.910 50.777 -1.867 1
1 885 . 19 1 1 A 78 78 ASN CB C 116 35.500 42.124 -6.624 1
1 886 . 19 1 1 A 78 78 ASN N N 116 112.900 117.076 -4.176 1
1 887 . 19 1 1 A 79 79 PHE H H 117 7.410 8.283 -0.873 1
1 888 . 19 1 1 A 79 79 PHE HA H 117 4.440 4.134 0.306 1
1 895 . 19 1 1 A 79 79 PHE C C 117 174.370 176.699 -2.329 1
1 896 . 19 1 1 A 79 79 PHE CA C 117 56.890 59.870 -2.980 1
1 897 . 19 1 1 A 79 79 PHE CB C 117 34.540 38.138 -3.598 1
1 898 . 19 1 1 A 79 79 PHE N N 117 121.190 120.743 0.447 1
1 899 . 19 1 1 A 80 80 ALA H H 118 8.560 7.215 1.345 1
1 900 . 19 1 1 A 80 80 ALA HA H 118 4.140 4.065 0.075 1
1 904 . 19 1 1 A 80 80 ALA C C 118 176.482 178.149 -1.667 1
1 905 . 19 1 1 A 80 80 ALA CA C 118 52.430 53.493 -1.063 1
1 906 . 19 1 1 A 80 80 ALA CB C 118 16.160 17.866 -1.706 1
1 907 . 19 1 1 A 80 80 ALA N N 118 115.100 121.591 -6.491 1
1 908 . 19 1 1 A 81 81 THR H H 119 7.330 7.145 0.185 1
1 909 . 19 1 1 A 81 81 THR HA H 119 4.450 4.382 0.068 1
1 914 . 19 1 1 A 81 81 THR C C 119 172.909 174.509 -1.600 1
1 915 . 19 1 1 A 81 81 THR CA C 119 59.270 62.442 -3.172 1
1 916 . 19 1 1 A 81 81 THR CB C 119 66.770 70.026 -3.256 1
1 918 . 19 1 1 A 81 81 THR N N 119 104.710 106.096 -1.386 1
1 919 . 19 1 1 A 82 82 GLU H H 120 7.890 7.876 0.014 1
1 920 . 19 1 1 A 82 82 GLU HA H 120 4.260 4.495 -0.235 1
1 924 . 19 1 1 A 82 82 GLU C C 120 177.060 175.086 1.974 1
1 925 . 19 1 1 A 82 82 GLU CA C 120 54.740 55.131 -0.391 1
1 926 . 19 1 1 A 82 82 GLU N N 120 120.760 119.712 1.048 1
1 927 . 19 1 1 A 83 83 ILE H H 121 7.630 8.204 -0.574 1
1 928 . 19 1 1 A 83 83 ILE HA H 121 3.330 3.584 -0.254 1
1 938 . 19 1 1 A 83 83 ILE CA C 121 57.580 61.515 -3.935 1
1 939 . 19 1 1 A 83 83 ILE CB C 121 35.770 36.382 -0.612 1
1 943 . 19 1 1 A 83 83 ILE N N 121 118.900 118.469 0.431 1
1 944 . 19 1 1 A 84 84 PRO HA H 122 4.200 4.463 -0.263 1
1 951 . 19 1 1 A 84 84 PRO CA C 122 60.510 62.413 -1.903 1
1 952 . 19 1 1 A 84 84 PRO CB C 122 27.260 31.425 -4.165 1
1 955 . 19 1 1 A 86 86 THR HA H 124 3.869 3.954 -0.085 1
1 960 . 19 1 1 A 86 86 THR C C 124 172.991 176.760 -3.769 1
1 961 . 19 1 1 A 86 86 THR CA C 124 61.980 67.163 -5.183 1
1 962 . 19 1 1 A 86 86 THR CB C 124 65.710 69.040 -3.330 1
1 964 . 19 1 1 A 87 87 ILE H H 125 7.340 7.814 -0.474 1
1 965 . 19 1 1 A 87 87 ILE HA H 125 3.920 3.797 0.123 1
1 975 . 19 1 1 A 87 87 ILE C C 125 175.375 177.620 -2.245 1
1 976 . 19 1 1 A 87 87 ILE CA C 125 61.900 64.186 -2.286 1
1 977 . 19 1 1 A 87 87 ILE CB C 125 35.690 37.466 -1.776 1
1 981 . 19 1 1 A 87 87 ILE N N 125 120.800 118.763 2.037 1
1 982 . 19 1 1 A 88 88 LEU HA H 126 4.070 3.834 0.236 1
1 992 . 19 1 1 A 88 88 LEU C C 126 177.060 178.255 -1.195 1
1 993 . 19 1 1 A 88 88 LEU CA C 126 55.950 57.917 -1.967 1
1 994 . 19 1 1 A 88 88 LEU CB C 126 39.710 41.783 -2.073 1
1 998 . 19 1 1 A 89 89 LYS H H 127 8.095 7.525 0.570 1
1 999 . 19 1 1 A 89 89 LYS HA H 127 4.030 3.891 0.139 1
1 1008 . 19 1 1 A 89 89 LYS C C 127 176.400 178.589 -2.189 1
1 1009 . 19 1 1 A 89 89 LYS CA C 127 56.010 58.991 -2.981 1
1 1010 . 19 1 1 A 89 89 LYS CB C 127 29.650 31.649 -1.999 1
1 1014 . 19 1 1 A 89 89 LYS N N 127 116.100 118.763 -2.663 1
1 1015 . 19 1 1 A 90 90 LYS H H 128 7.848 8.042 -0.194 1
1 1016 . 19 1 1 A 90 90 LYS HA H 128 4.160 4.042 0.118 1
1 1019 . 19 1 1 A 90 90 LYS C C 128 174.859 178.510 -3.651 1
1 1020 . 19 1 1 A 90 90 LYS CA C 128 54.750 57.485 -2.735 1
1 1021 . 19 1 1 A 90 90 LYS CB C 128 29.280 32.364 -3.084 1
1 1022 . 19 1 1 A 90 90 LYS N N 128 119.230 117.692 1.538 1
1 1023 . 19 1 1 A 91 91 LEU H H 129 7.640 6.801 0.839 1
1 1024 . 19 1 1 A 91 91 LEU HA H 129 4.250 3.682 0.568 1
1 1034 . 19 1 1 A 91 91 LEU CA C 129 52.280 57.429 -5.149 1
1 1035 . 19 1 1 A 91 91 LEU CB C 129 39.000 41.614 -2.614 1
1 1039 . 19 1 1 A 91 91 LEU N N 129 112.650 121.278 -8.628 1
1 1040 . 19 1 1 A 92 92 ASN H H 130 7.560 7.808 -0.248 1
1 1041 . 19 1 1 A 92 92 ASN HA H 130 4.300 4.533 -0.233 1
1 1046 . 19 1 1 A 92 92 ASN C C 130 172.034 174.417 -2.383 1
1 1047 . 19 1 1 A 92 92 ASN CA C 130 55.070 58.152 -3.082 1
1 1048 . 19 1 1 A 92 92 ASN CB C 130 32.670 37.794 -5.124 1
1 1049 . 19 1 1 A 92 92 ASN N N 130 111.100 116.412 -5.312 1
1 1051 . 19 1 1 A 93 93 PRO HA H 131 4.220 4.361 -0.141 1
1 1058 . 19 1 1 A 93 93 PRO C C 131 173.540 177.848 -4.308 1
1 1059 . 19 1 1 A 93 93 PRO CA C 131 62.300 64.989 -2.689 1
1 1060 . 19 1 1 A 93 93 PRO CB C 131 28.140 31.639 -3.499 1
1 1062 . 19 1 1 A 94 94 TYR H H 132 7.630 7.866 -0.236 1
1 1063 . 19 1 1 A 94 94 TYR HA H 132 4.630 4.537 0.093 1
1 1068 . 19 1 1 A 94 94 TYR C C 132 172.700 177.163 -4.463 1
1 1069 . 19 1 1 A 94 94 TYR CA C 132 54.130 58.414 -4.284 1
1 1070 . 19 1 1 A 94 94 TYR CB C 132 36.500 39.793 -3.293 1
1 1071 . 19 1 1 A 94 94 TYR N N 132 114.100 118.832 -4.732 1
1 1072 . 19 1 1 A 95 95 ARG H H 133 7.250 8.768 -1.518 1
1 1073 . 19 1 1 A 95 95 ARG HA H 133 4.290 3.951 0.339 1
1 1081 . 19 1 1 A 95 95 ARG C C 133 173.763 178.100 -4.337 1
1 1082 . 19 1 1 A 95 95 ARG CA C 133 54.740 59.292 -4.552 1
1 1083 . 19 1 1 A 95 95 ARG CB C 133 27.880 29.608 -1.728 1
1 1086 . 19 1 1 A 95 95 ARG N N 133 119.390 124.050 -4.660 1
1 1088 . 19 1 1 A 96 96 LYS H H 134 8.658 8.102 0.556 1
1 1089 . 19 1 1 A 96 96 LYS HA H 134 4.490 4.198 0.292 1
1 1098 . 19 1 1 A 96 96 LYS C C 134 173.560 178.735 -5.175 1
1 1099 . 19 1 1 A 96 96 LYS CA C 134 52.580 58.154 -5.574 1
1 1100 . 19 1 1 A 96 96 LYS CB C 134 30.590 32.275 -1.685 1
1 1104 . 19 1 1 A 96 96 LYS N N 134 125.000 117.970 7.030 1
1 1105 . 19 1 1 A 97 97 MET H H 135 8.330 7.628 0.702 1
1 1106 . 19 1 1 A 97 97 MET HA H 135 4.420 4.301 0.119 1
1 1114 . 19 1 1 A 97 97 MET C C 135 172.970 177.130 -4.160 1
1 1115 . 19 1 1 A 97 97 MET CA C 135 52.490 57.339 -4.849 1
1 1116 . 19 1 1 A 97 97 MET CB C 135 30.530 33.815 -3.285 1
1 1118 . 19 1 1 A 97 97 MET N N 135 120.890 116.942 3.948 1
1 1119 . 19 1 1 A 98 98 ALA H H 136 8.290 8.202 0.088 1
1 1120 . 19 1 1 A 98 98 ALA HA H 136 4.180 3.990 0.190 1
1 1124 . 19 1 1 A 98 98 ALA C C 136 173.767 176.880 -3.113 1
1 1125 . 19 1 1 A 98 98 ALA CA C 136 49.750 54.778 -5.028 1
1 1126 . 19 1 1 A 98 98 ALA CB C 136 16.350 17.907 -1.557 1
1 1127 . 19 1 1 A 98 98 ALA N N 136 126.050 119.558 6.492 1
1 1 . 20 1 1 A 3 3 VAL HA H 41 3.360 3.600 -0.240 1
1 9 . 20 1 1 A 3 3 VAL CA C 41 64.070 66.742 -2.672 1
1 10 . 20 1 1 A 3 3 VAL CB C 41 28.620 31.581 -2.961 1
1 13 . 20 1 1 A 4 4 LYS H H 42 8.223 7.904 0.319 1
1 14 . 20 1 1 A 4 4 LYS HA H 42 3.610 3.991 -0.381 1
1 21 . 20 1 1 A 4 4 LYS C C 42 175.928 179.741 -3.813 1
1 22 . 20 1 1 A 4 4 LYS CA C 42 58.640 59.671 -1.031 1
1 23 . 20 1 1 A 4 4 LYS CB C 42 28.640 32.016 -3.376 1
1 25 . 20 1 1 A 4 4 LYS N N 42 118.080 118.488 -0.408 1
1 26 . 20 1 1 A 5 5 ARG H H 43 7.920 7.740 0.180 1
1 27 . 20 1 1 A 5 5 ARG HA H 43 4.060 4.043 0.017 1
1 34 . 20 1 1 A 5 5 ARG C C 43 177.798 178.230 -0.432 1
1 35 . 20 1 1 A 5 5 ARG CA C 43 56.640 58.713 -2.073 1
1 36 . 20 1 1 A 5 5 ARG CB C 43 27.200 29.925 -2.725 1
1 38 . 20 1 1 A 5 5 ARG N N 43 117.720 120.544 -2.824 1
1 39 . 20 1 1 A 6 6 LEU H H 44 7.660 7.919 -0.259 1
1 40 . 20 1 1 A 6 6 LEU HA H 44 4.100 4.086 0.014 1
1 50 . 20 1 1 A 6 6 LEU C C 44 176.114 179.272 -3.158 1
1 51 . 20 1 1 A 6 6 LEU CA C 44 55.100 57.499 -2.399 1
1 52 . 20 1 1 A 6 6 LEU CB C 44 39.570 42.120 -2.550 1
1 56 . 20 1 1 A 6 6 LEU N N 44 121.040 119.478 1.562 1
1 57 . 20 1 1 A 7 7 LEU H H 45 7.520 7.885 -0.365 1
1 58 . 20 1 1 A 7 7 LEU HA H 45 4.350 4.179 0.171 1
1 68 . 20 1 1 A 7 7 LEU C C 45 172.937 179.340 -6.403 1
1 69 . 20 1 1 A 7 7 LEU CA C 45 51.480 57.097 -5.617 1
1 70 . 20 1 1 A 7 7 LEU CB C 45 40.300 41.403 -1.103 1
1 74 . 20 1 1 A 7 7 LEU N N 45 116.660 116.214 0.446 1
1 75 . 20 1 1 A 8 8 SER H H 46 7.840 8.211 -0.371 1
1 76 . 20 1 1 A 8 8 SER HA H 46 3.960 4.281 -0.321 1
1 79 . 20 1 1 A 8 8 SER CA C 46 56.360 60.688 -4.328 1
1 80 . 20 1 1 A 8 8 SER CB C 46 58.870 62.749 -3.879 1
1 81 . 20 1 1 A 8 8 SER N N 46 113.750 115.055 -1.305 1
1 82 . 20 1 1 A 9 9 ILE H H 47 8.290 7.398 0.892 1
1 83 . 20 1 1 A 9 9 ILE HA H 47 4.230 4.460 -0.230 1
1 93 . 20 1 1 A 9 9 ILE C C 47 174.540 175.254 -0.714 1
1 94 . 20 1 1 A 9 9 ILE CA C 47 58.680 61.918 -3.238 1
1 95 . 20 1 1 A 9 9 ILE CB C 47 36.912 38.923 -2.011 1
1 99 . 20 1 1 A 9 9 ILE N N 47 119.850 112.983 6.867 1
1 100 . 20 1 1 A 10 10 THR H H 48 8.760 7.891 0.869 1
1 101 . 20 1 1 A 10 10 THR HA H 48 4.465 4.390 0.075 1
1 106 . 20 1 1 A 10 10 THR C C 48 171.266 174.230 -2.964 1
1 107 . 20 1 1 A 10 10 THR CA C 48 58.390 60.436 -2.046 1
1 108 . 20 1 1 A 10 10 THR CB C 48 66.310 67.531 -1.221 1
1 110 . 20 1 1 A 10 10 THR N N 48 117.590 116.694 0.896 1
1 111 . 20 1 1 A 11 11 ASN H H 49 7.360 7.919 -0.559 1
1 112 . 20 1 1 A 11 11 ASN HA H 49 4.909 4.961 -0.052 1
1 117 . 20 1 1 A 11 11 ASN C C 49 172.506 174.801 -2.295 1
1 118 . 20 1 1 A 11 11 ASN CA C 49 49.430 54.192 -4.762 1
1 119 . 20 1 1 A 11 11 ASN CB C 49 37.420 41.407 -3.987 1
1 120 . 20 1 1 A 11 11 ASN N N 49 113.560 124.225 -10.665 1
1 122 . 20 1 1 A 12 12 ASP H H 50 8.256 8.556 -0.300 1
1 123 . 20 1 1 A 12 12 ASP HA H 50 4.650 4.762 -0.112 1
1 126 . 20 1 1 A 12 12 ASP C C 50 176.400 177.693 -1.293 1
1 127 . 20 1 1 A 12 12 ASP CA C 50 51.210 53.745 -2.535 1
1 128 . 20 1 1 A 12 12 ASP CB C 50 38.080 41.750 -3.670 1
1 129 . 20 1 1 A 12 12 ASP N N 50 117.210 119.505 -2.295 1
1 130 . 20 1 1 A 13 13 LYS H H 51 7.895 8.917 -1.022 1
1 131 . 20 1 1 A 13 13 LYS HA H 51 3.840 4.029 -0.189 1
1 140 . 20 1 1 A 13 13 LYS C C 51 174.700 177.527 -2.827 1
1 141 . 20 1 1 A 13 13 LYS CA C 51 56.320 58.308 -1.988 1
1 142 . 20 1 1 A 13 13 LYS CB C 51 29.760 32.204 -2.444 1
1 146 . 20 1 1 A 13 13 LYS N N 51 120.500 123.411 -2.911 1
1 147 . 20 1 1 A 14 14 HIS H H 52 9.000 7.758 1.242 1
1 148 . 20 1 1 A 14 14 HIS HA H 52 5.120 4.944 0.176 1
1 152 . 20 1 1 A 14 14 HIS C C 52 173.200 175.517 -2.317 1
1 153 . 20 1 1 A 14 14 HIS CA C 52 52.370 55.176 -2.806 1
1 154 . 20 1 1 A 14 14 HIS CB C 52 27.520 30.040 -2.520 1
1 155 . 20 1 1 A 14 14 HIS N N 52 116.200 116.114 0.086 1
1 156 . 20 1 1 A 15 15 ASP H H 53 7.640 8.149 -0.509 1
1 157 . 20 1 1 A 15 15 ASP HA H 53 4.120 4.282 -0.162 1
1 160 . 20 1 1 A 15 15 ASP C C 53 176.183 178.132 -1.949 1
1 161 . 20 1 1 A 15 15 ASP CA C 53 56.060 57.854 -1.794 1
1 162 . 20 1 1 A 15 15 ASP CB C 53 36.350 41.121 -4.771 1
1 163 . 20 1 1 A 15 15 ASP N N 53 122.780 122.347 0.433 1
1 164 . 20 1 1 A 16 16 GLU H H 54 8.890 8.375 0.515 1
1 165 . 20 1 1 A 16 16 GLU HA H 54 4.020 4.098 -0.078 1
1 170 . 20 1 1 A 16 16 GLU CA C 54 57.770 59.370 -1.600 1
1 171 . 20 1 1 A 16 16 GLU CB C 54 26.330 29.249 -2.919 1
1 173 . 20 1 1 A 16 16 GLU N N 54 122.770 117.773 4.997 1
1 174 . 20 1 1 A 17 17 TYR H H 55 8.130 8.168 -0.038 1
1 175 . 20 1 1 A 17 17 TYR HA H 55 4.390 4.197 0.193 1
1 180 . 20 1 1 A 17 17 TYR C C 55 175.213 177.897 -2.684 1
1 181 . 20 1 1 A 17 17 TYR CA C 55 58.150 61.490 -3.340 1
1 182 . 20 1 1 A 17 17 TYR CB C 55 36.000 38.947 -2.947 1
1 185 . 20 1 1 A 17 17 TYR N N 55 121.000 121.943 -0.943 1
1 186 . 20 1 1 A 18 18 LEU H H 56 8.740 8.570 0.170 1
1 187 . 20 1 1 A 18 18 LEU HA H 56 3.710 3.954 -0.244 1
1 197 . 20 1 1 A 18 18 LEU C C 56 175.500 178.489 -2.989 1
1 198 . 20 1 1 A 18 18 LEU CA C 56 55.470 58.002 -2.532 1
1 199 . 20 1 1 A 18 18 LEU CB C 56 39.920 41.282 -1.362 1
1 203 . 20 1 1 A 18 18 LEU N N 56 118.100 120.151 -2.051 1
1 204 . 20 1 1 A 19 19 THR H H 57 8.420 7.813 0.607 1
1 205 . 20 1 1 A 19 19 THR HA H 57 3.820 3.903 -0.083 1
1 210 . 20 1 1 A 19 19 THR C C 57 172.234 177.400 -5.166 1
1 211 . 20 1 1 A 19 19 THR CA C 57 64.220 65.809 -1.589 1
1 212 . 20 1 1 A 19 19 THR CB C 57 66.050 68.069 -2.019 1
1 214 . 20 1 1 A 19 19 THR N N 57 114.940 110.650 4.290 1
1 215 . 20 1 1 A 20 20 GLU H H 58 7.087 7.871 -0.784 1
1 216 . 20 1 1 A 20 20 GLU HA H 58 4.320 3.897 0.423 1
1 221 . 20 1 1 A 20 20 GLU C C 58 175.554 179.279 -3.725 1
1 222 . 20 1 1 A 20 20 GLU CA C 58 55.170 59.784 -4.614 1
1 223 . 20 1 1 A 20 20 GLU CB C 58 27.920 29.247 -1.327 1
1 225 . 20 1 1 A 20 20 GLU N N 58 117.800 122.377 -4.577 1
1 226 . 20 1 1 A 21 21 MET H H 59 8.320 7.863 0.457 1
1 227 . 20 1 1 A 21 21 MET HA H 59 4.330 3.231 1.099 1
1 235 . 20 1 1 A 21 21 MET C C 59 175.330 178.594 -3.264 1
1 236 . 20 1 1 A 21 21 MET CA C 59 54.270 58.162 -3.892 1
1 237 . 20 1 1 A 21 21 MET CB C 59 30.620 32.343 -1.723 1
1 240 . 20 1 1 A 21 21 MET N N 59 116.300 119.481 -3.181 1
1 241 . 20 1 1 A 22 22 VAL H H 60 8.800 7.781 1.019 1
1 242 . 20 1 1 A 22 22 VAL HA H 60 3.630 3.588 0.042 1
1 250 . 20 1 1 A 22 22 VAL C C 60 172.042 174.842 -2.800 1
1 251 . 20 1 1 A 22 22 VAL CA C 60 66.980 67.328 -0.348 1
1 252 . 20 1 1 A 22 22 VAL CB C 60 26.120 29.598 -3.478 1
1 255 . 20 1 1 A 22 22 VAL N N 60 117.600 119.505 -1.905 1
1 256 . 20 1 1 A 23 23 PRO HA H 61 4.270 4.359 -0.089 1
1 263 . 20 1 1 A 23 23 PRO C C 61 177.110 179.222 -2.112 1
1 264 . 20 1 1 A 23 23 PRO CA C 61 63.460 65.408 -1.948 1
1 265 . 20 1 1 A 23 23 PRO CB C 61 28.400 31.246 -2.846 1
1 267 . 20 1 1 A 24 24 LEU H H 62 6.700 7.105 -0.405 1
1 268 . 20 1 1 A 24 24 LEU HA H 62 4.250 3.996 0.254 1
1 278 . 20 1 1 A 24 24 LEU C C 62 177.872 179.096 -1.224 1
1 279 . 20 1 1 A 24 24 LEU CA C 62 55.130 57.698 -2.568 1
1 280 . 20 1 1 A 24 24 LEU CB C 62 39.440 41.499 -2.059 1
1 284 . 20 1 1 A 24 24 LEU N N 62 115.750 117.818 -2.068 1
1 285 . 20 1 1 A 25 25 LEU H H 63 8.190 7.594 0.596 1
1 286 . 20 1 1 A 25 25 LEU HA H 63 3.920 4.228 -0.308 1
1 296 . 20 1 1 A 25 25 LEU C C 63 176.367 178.511 -2.144 1
1 297 . 20 1 1 A 25 25 LEU CA C 63 54.950 58.340 -3.390 1
1 298 . 20 1 1 A 25 25 LEU CB C 63 41.090 42.017 -0.927 1
1 302 . 20 1 1 A 25 25 LEU N N 63 121.800 120.047 1.753 1
1 303 . 20 1 1 A 26 26 VAL H H 64 8.590 8.404 0.186 1
1 304 . 20 1 1 A 26 26 VAL HA H 64 3.480 3.935 -0.455 1
1 312 . 20 1 1 A 26 26 VAL C C 64 174.801 178.012 -3.211 1
1 313 . 20 1 1 A 26 26 VAL CA C 64 64.860 65.577 -0.717 1
1 314 . 20 1 1 A 26 26 VAL CB C 64 28.900 31.475 -2.575 1
1 317 . 20 1 1 A 26 26 VAL N N 64 120.990 115.918 5.072 1
1 318 . 20 1 1 A 27 27 GLU H H 65 8.090 8.330 -0.240 1
1 319 . 20 1 1 A 27 27 GLU HA H 65 3.970 3.926 0.044 1
1 324 . 20 1 1 A 27 27 GLU C C 65 176.169 178.821 -2.652 1
1 325 . 20 1 1 A 27 27 GLU CA C 65 56.990 59.358 -2.368 1
1 326 . 20 1 1 A 27 27 GLU CB C 65 26.540 29.397 -2.857 1
1 328 . 20 1 1 A 27 27 GLU N N 65 118.990 121.710 -2.720 1
1 329 . 20 1 1 A 28 28 PHE H H 66 8.075 8.187 -0.112 1
1 330 . 20 1 1 A 28 28 PHE HA H 66 4.570 4.267 0.303 1
1 337 . 20 1 1 A 28 28 PHE C C 66 173.482 177.507 -4.025 1
1 338 . 20 1 1 A 28 28 PHE CA C 66 58.390 61.842 -3.452 1
1 339 . 20 1 1 A 28 28 PHE CB C 66 36.680 39.307 -2.627 1
1 340 . 20 1 1 A 28 28 PHE N N 66 119.000 121.150 -2.150 1
1 341 . 20 1 1 A 29 29 ALA H H 67 8.420 8.734 -0.314 1
1 342 . 20 1 1 A 29 29 ALA HA H 67 3.500 3.678 -0.178 1
1 346 . 20 1 1 A 29 29 ALA C C 67 176.624 180.124 -3.500 1
1 347 . 20 1 1 A 29 29 ALA CA C 67 52.800 54.873 -2.073 1
1 348 . 20 1 1 A 29 29 ALA CB C 67 15.290 18.241 -2.951 1
1 349 . 20 1 1 A 29 29 ALA N N 67 121.810 121.050 0.760 1
1 350 . 20 1 1 A 30 30 LYS H H 68 8.227 8.152 0.075 1
1 351 . 20 1 1 A 30 30 LYS HA H 68 4.090 4.177 -0.087 1
1 360 . 20 1 1 A 30 30 LYS C C 68 177.400 178.902 -1.502 1
1 361 . 20 1 1 A 30 30 LYS CA C 68 56.700 59.043 -2.343 1
1 362 . 20 1 1 A 30 30 LYS CB C 68 31.230 31.199 0.031 1
1 366 . 20 1 1 A 30 30 LYS N N 68 117.500 118.017 -0.517 1
1 367 . 20 1 1 A 31 31 ASP H H 69 7.820 8.101 -0.281 1
1 368 . 20 1 1 A 31 31 ASP HA H 69 4.210 4.748 -0.538 1
1 371 . 20 1 1 A 31 31 ASP C C 69 176.438 178.419 -1.981 1
1 372 . 20 1 1 A 31 31 ASP CA C 69 54.310 57.049 -2.739 1
1 373 . 20 1 1 A 31 31 ASP CB C 69 38.320 41.610 -3.290 1
1 374 . 20 1 1 A 31 31 ASP N N 69 120.370 119.961 0.409 1
1 375 . 20 1 1 A 32 32 GLU H H 70 8.840 8.286 0.554 1
1 376 . 20 1 1 A 32 32 GLU HA H 70 3.730 4.024 -0.294 1
1 381 . 20 1 1 A 32 32 GLU C C 70 176.119 177.569 -1.450 1
1 382 . 20 1 1 A 32 32 GLU CA C 70 55.270 59.090 -3.820 1
1 383 . 20 1 1 A 32 32 GLU CB C 70 26.810 29.450 -2.640 1
1 385 . 20 1 1 A 32 32 GLU N N 70 120.750 118.219 2.531 1
1 386 . 20 1 1 A 33 33 CYS H H 71 7.960 8.093 -0.133 1
1 387 . 20 1 1 A 33 33 CYS HA H 71 4.070 4.621 -0.551 1
1 390 . 20 1 1 A 33 33 CYS C C 71 170.993 174.778 -3.785 1
1 391 . 20 1 1 A 33 33 CYS CA C 71 58.160 59.139 -0.979 1
1 392 . 20 1 1 A 33 33 CYS CB C 71 26.000 27.815 -1.815 1
1 393 . 20 1 1 A 33 33 CYS N N 71 111.530 116.206 -4.676 1
1 394 . 20 1 1 A 34 34 HIS H H 72 7.560 8.452 -0.892 1
1 395 . 20 1 1 A 34 34 HIS HA H 72 4.040 4.493 -0.453 1
1 398 . 20 1 1 A 34 34 HIS C C 72 170.400 173.898 -3.498 1
1 399 . 20 1 1 A 34 34 HIS CA C 72 53.230 57.480 -4.250 1
1 400 . 20 1 1 A 34 34 HIS CB C 72 23.830 29.361 -5.531 1
1 401 . 20 1 1 A 34 34 HIS N N 72 118.100 116.632 1.468 1
1 402 . 20 1 1 A 35 35 ASN H H 73 7.590 7.719 -0.129 1
1 403 . 20 1 1 A 35 35 ASN HA H 73 4.805 5.258 -0.453 1
1 408 . 20 1 1 A 35 35 ASN C C 73 170.429 174.723 -4.294 1
1 409 . 20 1 1 A 35 35 ASN CA C 73 46.130 50.540 -4.410 1
1 410 . 20 1 1 A 35 35 ASN CB C 73 39.580 40.769 -1.189 1
1 411 . 20 1 1 A 35 35 ASN N N 73 112.400 114.012 -1.612 1
1 413 . 20 1 1 A 36 36 PRO HA H 74 4.120 3.944 0.176 1
1 420 . 20 1 1 A 36 36 PRO C C 74 173.450 176.712 -3.262 1
1 421 . 20 1 1 A 36 36 PRO CA C 74 59.950 62.937 -2.987 1
1 422 . 20 1 1 A 36 36 PRO CB C 74 29.200 32.192 -2.992 1
1 425 . 20 1 1 A 37 37 PHE H H 75 8.057 7.591 0.466 1
1 426 . 20 1 1 A 37 37 PHE HA H 75 4.200 4.155 0.045 1
1 432 . 20 1 1 A 37 37 PHE C C 75 171.107 174.482 -3.375 1
1 433 . 20 1 1 A 37 37 PHE CA C 75 55.120 58.750 -3.630 1
1 434 . 20 1 1 A 37 37 PHE CB C 75 33.760 36.578 -2.818 1
1 436 . 20 1 1 A 38 38 ILE H H 76 7.610 7.490 0.120 1
1 437 . 20 1 1 A 38 38 ILE HA H 76 4.870 4.531 0.339 1
1 447 . 20 1 1 A 38 38 ILE C C 76 174.180 173.252 0.928 1
1 448 . 20 1 1 A 38 38 ILE CA C 76 56.300 59.416 -3.116 1
1 449 . 20 1 1 A 38 38 ILE CB C 76 38.040 40.737 -2.697 1
1 453 . 20 1 1 A 38 38 ILE N N 76 113.800 119.451 -5.651 1
1 454 . 20 1 1 A 39 39 ASP H H 77 8.830 9.547 -0.717 1
1 455 . 20 1 1 A 39 39 ASP HA H 77 4.710 4.777 -0.067 1
1 458 . 20 1 1 A 39 39 ASP C C 77 175.969 177.415 -1.446 1
1 459 . 20 1 1 A 39 39 ASP CA C 77 49.800 51.792 -1.992 1
1 460 . 20 1 1 A 39 39 ASP CB C 77 39.180 43.182 -4.002 1
1 461 . 20 1 1 A 39 39 ASP N N 77 125.380 125.761 -0.381 1
1 462 . 20 1 1 A 40 40 LYS H H 78 8.370 8.982 -0.612 1
1 463 . 20 1 1 A 40 40 LYS HA H 78 4.100 4.036 0.064 1
1 468 . 20 1 1 A 40 40 LYS C C 78 174.100 177.087 -2.987 1
1 469 . 20 1 1 A 40 40 LYS CA C 78 55.800 59.333 -3.533 1
1 470 . 20 1 1 A 40 40 LYS CB C 78 29.120 32.171 -3.051 1
1 471 . 20 1 1 A 40 40 LYS N N 78 116.800 120.851 -4.051 1
1 472 . 20 1 1 A 41 41 ASP H H 79 8.030 7.868 0.162 1
1 473 . 20 1 1 A 41 41 ASP HA H 79 4.810 4.901 -0.091 1
1 476 . 20 1 1 A 41 41 ASP C C 79 173.360 176.574 -3.214 1
1 477 . 20 1 1 A 41 41 ASP CA C 79 51.650 54.038 -2.388 1
1 478 . 20 1 1 A 41 41 ASP CB C 79 39.570 41.866 -2.296 1
1 479 . 20 1 1 A 41 41 ASP N N 79 118.660 117.920 0.740 1
1 480 . 20 1 1 A 42 42 GLY H H 80 8.090 7.908 0.182 1
1 481 . 20 1 1 A 42 42 GLY HA2 H 80 4.230 3.881 0.349 1
1 482 . 20 1 1 A 42 42 GLY HA3 H 80 3.490 3.886 -0.396 1
1 483 . 20 1 1 A 42 42 GLY C C 80 171.399 174.317 -2.918 1
1 484 . 20 1 1 A 42 42 GLY CA C 80 42.720 46.790 -4.070 1
1 485 . 20 1 1 A 42 42 GLY N N 80 107.750 107.890 -0.140 1
1 486 . 20 1 1 A 43 43 ASN H H 81 8.470 8.494 -0.024 1
1 487 . 20 1 1 A 43 43 ASN HA H 81 4.815 4.692 0.123 1
1 492 . 20 1 1 A 43 43 ASN C C 81 172.066 174.898 -2.832 1
1 493 . 20 1 1 A 43 43 ASN CA C 81 49.580 53.618 -4.038 1
1 494 . 20 1 1 A 43 43 ASN CB C 81 36.800 38.655 -1.855 1
1 495 . 20 1 1 A 43 43 ASN N N 81 117.600 121.172 -3.572 1
1 497 . 20 1 1 A 44 44 GLU H H 82 8.730 8.166 0.564 1
1 498 . 20 1 1 A 44 44 GLU HA H 82 4.370 4.322 0.048 1
1 503 . 20 1 1 A 44 44 GLU C C 82 173.651 175.271 -1.620 1
1 504 . 20 1 1 A 44 44 GLU CA C 82 55.170 57.296 -2.126 1
1 505 . 20 1 1 A 44 44 GLU CB C 82 27.740 30.579 -2.839 1
1 507 . 20 1 1 A 44 44 GLU N N 82 123.400 123.010 0.390 1
1 508 . 20 1 1 A 45 45 SER H H 83 8.960 9.281 -0.321 1
1 509 . 20 1 1 A 45 45 SER HA H 83 4.510 5.342 -0.832 1
1 512 . 20 1 1 A 45 45 SER C C 83 170.100 173.264 -3.164 1
1 513 . 20 1 1 A 45 45 SER CA C 83 53.800 56.457 -2.657 1
1 514 . 20 1 1 A 45 45 SER CB C 83 60.320 64.962 -4.642 1
1 515 . 20 1 1 A 45 45 SER N N 83 123.400 120.565 2.835 1
1 516 . 20 1 1 A 46 46 ILE H H 84 8.990 9.049 -0.059 1
1 517 . 20 1 1 A 46 46 ILE HA H 84 3.880 4.724 -0.844 1
1 527 . 20 1 1 A 46 46 ILE C C 84 177.600 174.536 3.064 1
1 528 . 20 1 1 A 46 46 ILE CA C 84 55.490 57.592 -2.102 1
1 529 . 20 1 1 A 46 46 ILE CB C 84 34.850 41.246 -6.396 1
1 533 . 20 1 1 A 46 46 ILE N N 84 127.800 126.967 0.833 1
1 534 . 20 1 1 A 47 47 PRO HA H 85 3.840 4.744 -0.904 1
1 541 . 20 1 1 A 47 47 PRO C C 85 172.918 177.420 -4.502 1
1 542 . 20 1 1 A 47 47 PRO CA C 85 61.880 62.101 -0.221 1
1 543 . 20 1 1 A 47 47 PRO CB C 85 34.920 33.258 1.662 1
1 546 . 20 1 1 A 48 48 SER H H 86 7.780 8.709 -0.929 1
1 547 . 20 1 1 A 48 48 SER C C 86 174.554 176.955 -2.401 1
1 548 . 20 1 1 A 49 49 GLY H H 87 8.230 8.330 -0.100 1
1 549 . 20 1 1 A 49 49 GLY HA2 H 87 4.300 3.651 0.649 1
1 550 . 20 1 1 A 49 49 GLY HA3 H 87 3.950 3.654 0.296 1
1 551 . 20 1 1 A 49 49 GLY C C 87 173.507 175.808 -2.301 1
1 552 . 20 1 1 A 49 49 GLY CA C 87 44.600 47.426 -2.826 1
1 553 . 20 1 1 A 49 49 GLY N N 87 105.900 108.977 -3.077 1
1 554 . 20 1 1 A 50 50 VAL H H 88 6.855 8.575 -1.720 1
1 555 . 20 1 1 A 50 50 VAL HA H 88 3.510 4.080 -0.570 1
1 563 . 20 1 1 A 50 50 VAL C C 88 174.450 178.115 -3.665 1
1 564 . 20 1 1 A 50 50 VAL CA C 88 62.420 64.740 -2.320 1
1 565 . 20 1 1 A 50 50 VAL CB C 88 28.000 31.663 -3.663 1
1 568 . 20 1 1 A 50 50 VAL N N 88 119.950 122.686 -2.736 1
1 569 . 20 1 1 A 51 51 LEU H H 89 7.360 7.756 -0.396 1
1 570 . 20 1 1 A 51 51 LEU HA H 89 3.570 4.126 -0.556 1
1 580 . 20 1 1 A 51 51 LEU C C 89 175.078 178.563 -3.485 1
1 581 . 20 1 1 A 51 51 LEU CA C 89 55.490 58.143 -2.653 1
1 582 . 20 1 1 A 51 51 LEU CB C 89 37.320 41.569 -4.249 1
1 586 . 20 1 1 A 51 51 LEU N N 89 122.100 122.052 0.048 1
1 587 . 20 1 1 A 52 52 ILE H H 90 7.770 7.649 0.121 1
1 588 . 20 1 1 A 52 52 ILE HA H 90 3.600 3.857 -0.257 1
1 598 . 20 1 1 A 52 52 ILE C C 90 175.000 178.033 -3.033 1
1 599 . 20 1 1 A 52 52 ILE CA C 90 62.720 64.452 -1.732 1
1 600 . 20 1 1 A 52 52 ILE CB C 90 34.510 37.401 -2.891 1
1 604 . 20 1 1 A 52 52 ILE N N 90 117.460 116.116 1.344 1
1 605 . 20 1 1 A 53 53 PHE H H 91 7.400 8.028 -0.628 1
1 606 . 20 1 1 A 53 53 PHE HA H 91 3.900 4.234 -0.334 1
1 613 . 20 1 1 A 53 53 PHE C C 91 172.073 177.044 -4.971 1
1 614 . 20 1 1 A 53 53 PHE CA C 91 59.340 61.391 -2.051 1
1 615 . 20 1 1 A 53 53 PHE CB C 91 35.540 38.843 -3.303 1
1 616 . 20 1 1 A 53 53 PHE N N 91 119.280 124.769 -5.489 1
1 617 . 20 1 1 A 54 54 VAL H H 92 8.450 8.191 0.259 1
1 618 . 20 1 1 A 54 54 VAL HA H 92 2.850 3.543 -0.693 1
1 626 . 20 1 1 A 54 54 VAL C C 92 174.300 178.046 -3.746 1
1 627 . 20 1 1 A 54 54 VAL CA C 92 63.860 65.291 -1.431 1
1 628 . 20 1 1 A 54 54 VAL CB C 92 28.570 31.027 -2.457 1
1 631 . 20 1 1 A 54 54 VAL N N 92 119.170 118.092 1.078 1
1 632 . 20 1 1 A 55 55 ALA H H 93 8.615 8.015 0.600 1
1 633 . 20 1 1 A 55 55 ALA HA H 93 3.750 3.966 -0.216 1
1 637 . 20 1 1 A 55 55 ALA C C 93 176.294 179.717 -3.423 1
1 638 . 20 1 1 A 55 55 ALA CA C 93 52.800 55.736 -2.936 1
1 639 . 20 1 1 A 55 55 ALA CB C 93 16.050 18.415 -2.365 1
1 640 . 20 1 1 A 55 55 ALA N N 93 120.170 124.195 -4.025 1
1 641 . 20 1 1 A 56 56 LYS H H 94 8.548 8.041 0.507 1
1 642 . 20 1 1 A 56 56 LYS HA H 94 3.980 4.034 -0.054 1
1 649 . 20 1 1 A 56 56 LYS C C 94 177.600 179.401 -1.801 1
1 650 . 20 1 1 A 56 56 LYS CA C 94 55.800 59.113 -3.313 1
1 651 . 20 1 1 A 56 56 LYS CB C 94 29.500 31.737 -2.237 1
1 654 . 20 1 1 A 56 56 LYS N N 94 115.200 116.978 -1.778 1
1 655 . 20 1 1 A 57 57 ALA H H 95 8.840 7.852 0.988 1
1 656 . 20 1 1 A 57 57 ALA HA H 95 3.940 4.127 -0.187 1
1 660 . 20 1 1 A 57 57 ALA C C 95 175.754 179.936 -4.182 1
1 661 . 20 1 1 A 57 57 ALA CA C 95 52.670 55.168 -2.498 1
1 662 . 20 1 1 A 57 57 ALA CB C 95 16.070 18.113 -2.043 1
1 663 . 20 1 1 A 57 57 ALA N N 95 124.210 122.714 1.496 1
1 664 . 20 1 1 A 58 58 ALA H H 96 8.816 7.585 1.231 1
1 665 . 20 1 1 A 58 58 ALA HA H 96 4.043 3.297 0.746 1
1 669 . 20 1 1 A 58 58 ALA C C 96 177.600 179.573 -1.973 1
1 670 . 20 1 1 A 58 58 ALA CA C 96 52.770 54.757 -1.987 1
1 671 . 20 1 1 A 58 58 ALA CB C 96 13.560 17.873 -4.313 1
1 672 . 20 1 1 A 58 58 ALA N N 96 120.500 119.726 0.774 1
1 673 . 20 1 1 A 59 59 GLN H H 97 8.490 8.311 0.179 1
1 674 . 20 1 1 A 59 59 GLN HA H 97 3.960 3.997 -0.037 1
1 681 . 20 1 1 A 59 59 GLN C C 97 175.100 177.991 -2.891 1
1 682 . 20 1 1 A 59 59 GLN CA C 97 56.370 58.118 -1.748 1
1 683 . 20 1 1 A 59 59 GLN CB C 97 26.500 27.464 -0.964 1
1 684 . 20 1 1 A 59 59 GLN N N 97 118.750 116.116 2.634 1
1 686 . 20 1 1 A 60 60 PHE H H 98 8.020 7.834 0.186 1
1 687 . 20 1 1 A 60 60 PHE HA H 98 4.120 4.215 -0.095 1
1 694 . 20 1 1 A 60 60 PHE C C 98 174.780 177.540 -2.760 1
1 695 . 20 1 1 A 60 60 PHE CA C 98 58.650 61.530 -2.880 1
1 696 . 20 1 1 A 60 60 PHE CB C 98 35.240 39.798 -4.558 1
1 697 . 20 1 1 A 60 60 PHE N N 98 122.380 121.541 0.839 1
1 698 . 20 1 1 A 61 61 TYR H H 99 7.900 8.698 -0.798 1
1 699 . 20 1 1 A 61 61 TYR HA H 99 3.900 4.525 -0.625 1
1 704 . 20 1 1 A 61 61 TYR C C 99 175.494 177.421 -1.927 1
1 705 . 20 1 1 A 61 61 TYR CA C 99 60.600 60.038 0.562 1
1 706 . 20 1 1 A 61 61 TYR CB C 99 36.120 37.472 -1.352 1
1 707 . 20 1 1 A 61 61 TYR N N 99 118.100 118.902 -0.802 1
1 708 . 20 1 1 A 62 62 MET H H 100 8.170 7.860 0.310 1
1 709 . 20 1 1 A 62 62 MET HA H 100 3.810 4.324 -0.514 1
1 717 . 20 1 1 A 62 62 MET C C 100 175.130 178.165 -3.035 1
1 718 . 20 1 1 A 62 62 MET CA C 100 56.270 57.832 -1.562 1
1 719 . 20 1 1 A 62 62 MET CB C 100 31.260 31.841 -0.581 1
1 722 . 20 1 1 A 62 62 MET N N 100 118.350 119.202 -0.852 1
1 723 . 20 1 1 A 63 63 THR H H 101 7.720 7.612 0.108 1
1 724 . 20 1 1 A 63 63 THR HA H 101 4.120 4.152 -0.032 1
1 729 . 20 1 1 A 63 63 THR C C 101 172.265 176.180 -3.915 1
1 730 . 20 1 1 A 63 63 THR CA C 101 60.060 63.549 -3.489 1
1 731 . 20 1 1 A 63 63 THR CB C 101 66.880 69.023 -2.143 1
1 733 . 20 1 1 A 63 63 THR N N 101 110.720 115.404 -4.684 1
1 734 . 20 1 1 A 64 64 ASN H H 102 7.620 8.027 -0.407 1
1 735 . 20 1 1 A 64 64 ASN HA H 102 4.541 4.997 -0.456 1
1 740 . 20 1 1 A 64 64 ASN C C 102 172.591 176.865 -4.274 1
1 741 . 20 1 1 A 64 64 ASN CA C 102 51.480 54.842 -3.362 1
1 742 . 20 1 1 A 64 64 ASN CB C 102 36.830 39.700 -2.870 1
1 743 . 20 1 1 A 64 64 ASN N N 102 114.000 119.699 -5.699 1
1 745 . 20 1 1 A 65 65 ALA H H 103 8.060 8.622 -0.562 1
1 746 . 20 1 1 A 65 65 ALA HA H 103 4.183 4.421 -0.238 1
1 750 . 20 1 1 A 65 65 ALA C C 103 176.032 178.861 -2.829 1
1 751 . 20 1 1 A 65 65 ALA CA C 103 51.130 52.431 -1.301 1
1 752 . 20 1 1 A 65 65 ALA CB C 103 16.230 18.884 -2.654 1
1 753 . 20 1 1 A 65 65 ALA N N 103 123.910 121.216 2.694 1
1 754 . 20 1 1 A 66 66 GLY H H 104 8.220 8.367 -0.147 1
1 755 . 20 1 1 A 66 66 GLY HA2 H 104 3.883 3.845 0.038 1
1 756 . 20 1 1 A 66 66 GLY C C 104 172.222 175.242 -3.020 1
1 757 . 20 1 1 A 66 66 GLY CA C 104 43.170 46.339 -3.169 1
1 758 . 20 1 1 A 66 66 GLY N N 104 106.420 107.965 -1.545 1
1 759 . 20 1 1 A 67 67 LEU H H 105 7.890 7.503 0.387 1
1 760 . 20 1 1 A 67 67 LEU HA H 105 4.290 4.598 -0.308 1
1 770 . 20 1 1 A 67 67 LEU C C 105 175.406 176.702 -1.296 1
1 771 . 20 1 1 A 67 67 LEU CA C 105 53.110 55.386 -2.276 1
1 772 . 20 1 1 A 67 67 LEU CB C 105 39.740 43.235 -3.495 1
1 776 . 20 1 1 A 67 67 LEU N N 105 120.570 116.879 3.691 1
1 777 . 20 1 1 A 68 68 THR H H 106 7.940 8.230 -0.290 1
1 778 . 20 1 1 A 68 68 THR HA H 106 4.330 4.623 -0.293 1
1 783 . 20 1 1 A 68 68 THR C C 106 172.806 175.633 -2.827 1
1 784 . 20 1 1 A 68 68 THR CA C 106 59.700 60.874 -1.174 1
1 785 . 20 1 1 A 68 68 THR CB C 106 67.140 69.622 -2.482 1
1 787 . 20 1 1 A 68 68 THR N N 106 111.750 113.417 -1.667 1
1 788 . 20 1 1 A 69 69 GLY H H 107 8.340 8.089 0.251 1
1 789 . 20 1 1 A 69 69 GLY HA2 H 107 3.940 3.982 -0.042 1
1 790 . 20 1 1 A 69 69 GLY C C 107 171.503 174.740 -3.237 1
1 791 . 20 1 1 A 69 69 GLY CA C 107 42.990 45.280 -2.290 1
1 792 . 20 1 1 A 69 69 GLY N N 107 110.910 111.804 -0.894 1
1 793 . 20 1 1 A 70 70 ARG H H 108 7.930 7.919 0.011 1
1 794 . 20 1 1 A 70 70 ARG HA H 108 4.355 3.789 0.566 1
1 801 . 20 1 1 A 70 70 ARG C C 108 173.543 175.901 -2.358 1
1 802 . 20 1 1 A 70 70 ARG CA C 108 53.170 58.806 -5.636 1
1 803 . 20 1 1 A 70 70 ARG CB C 108 28.470 28.221 0.249 1
1 806 . 20 1 1 A 70 70 ARG N N 108 119.900 114.939 4.961 1
1 807 . 20 1 1 A 71 71 SER H H 109 8.400 8.305 0.095 1
1 808 . 20 1 1 A 71 71 SER HA H 109 4.409 4.445 -0.036 1
1 811 . 20 1 1 A 71 71 SER C C 109 172.430 173.675 -1.245 1
1 812 . 20 1 1 A 71 71 SER CA C 109 55.630 60.518 -4.888 1
1 813 . 20 1 1 A 71 71 SER CB C 109 61.060 63.761 -2.701 1
1 814 . 20 1 1 A 71 71 SER N N 109 116.970 115.258 1.712 1
1 815 . 20 1 1 A 72 72 MET H H 110 8.590 7.179 1.411 1
1 816 . 20 1 1 A 72 72 MET HA H 110 4.394 4.636 -0.242 1
1 822 . 20 1 1 A 72 72 MET C C 110 173.487 173.969 -0.482 1
1 823 . 20 1 1 A 72 72 MET CA C 110 53.320 54.022 -0.702 1
1 824 . 20 1 1 A 72 72 MET CB C 110 29.300 35.331 -6.031 1
1 825 . 20 1 1 A 72 72 MET N N 110 122.250 117.746 4.504 1
1 826 . 20 1 1 A 73 73 ASP H H 111 8.260 8.422 -0.162 1
1 827 . 20 1 1 A 73 73 ASP HA H 111 4.514 5.117 -0.603 1
1 830 . 20 1 1 A 73 73 ASP C C 111 173.886 176.403 -2.517 1
1 831 . 20 1 1 A 73 73 ASP CA C 111 52.150 53.137 -0.987 1
1 832 . 20 1 1 A 73 73 ASP CB C 111 38.310 40.470 -2.160 1
1 833 . 20 1 1 A 73 73 ASP N N 111 119.420 122.072 -2.652 1
1 834 . 20 1 1 A 74 74 THR H H 112 7.900 9.033 -1.133 1
1 835 . 20 1 1 A 74 74 THR HA H 112 4.142 3.132 1.010 1
1 840 . 20 1 1 A 74 74 THR C C 112 172.029 173.303 -1.274 1
1 841 . 20 1 1 A 74 74 THR CA C 112 59.640 62.775 -3.135 1
1 842 . 20 1 1 A 74 74 THR CB C 112 66.820 68.009 -1.189 1
1 844 . 20 1 1 A 74 74 THR N N 112 112.950 113.075 -0.125 1
1 845 . 20 1 1 A 75 75 VAL H H 113 7.840 7.854 -0.014 1
1 846 . 20 1 1 A 75 75 VAL HA H 113 3.950 4.266 -0.316 1
1 854 . 20 1 1 A 75 75 VAL C C 113 173.067 176.597 -3.530 1
1 855 . 20 1 1 A 75 75 VAL CA C 113 60.070 63.397 -3.327 1
1 856 . 20 1 1 A 75 75 VAL CB C 113 29.740 33.475 -3.735 1
1 859 . 20 1 1 A 75 75 VAL N N 113 121.540 119.929 1.611 1
1 860 . 20 1 1 A 76 76 SER H H 114 8.020 8.272 -0.252 1
1 861 . 20 1 1 A 76 76 SER HA H 114 3.974 4.571 -0.597 1
1 864 . 20 1 1 A 76 76 SER C C 114 171.259 174.474 -3.215 1
1 865 . 20 1 1 A 76 76 SER CA C 114 55.100 58.417 -3.317 1
1 866 . 20 1 1 A 76 76 SER CB C 114 61.160 62.897 -1.737 1
1 867 . 20 1 1 A 76 76 SER N N 114 117.830 113.132 4.698 1
1 868 . 20 1 1 A 77 77 TYR H H 115 7.770 8.271 -0.501 1
1 869 . 20 1 1 A 77 77 TYR HA H 115 4.240 4.473 -0.233 1
1 874 . 20 1 1 A 77 77 TYR C C 115 172.865 175.122 -2.257 1
1 875 . 20 1 1 A 77 77 TYR CA C 115 55.100 57.245 -2.145 1
1 876 . 20 1 1 A 77 77 TYR CB C 115 36.110 37.800 -1.690 1
1 877 . 20 1 1 A 77 77 TYR N N 115 121.280 120.484 0.796 1
1 878 . 20 1 1 A 78 78 ASN HA H 116 4.790 3.574 1.216 1
1 883 . 20 1 1 A 78 78 ASN C C 116 172.080 175.021 -2.941 1
1 884 . 20 1 1 A 78 78 ASN CA C 116 48.910 52.780 -3.870 1
1 885 . 20 1 1 A 78 78 ASN CB C 116 35.500 37.637 -2.137 1
1 886 . 20 1 1 A 78 78 ASN N N 116 112.900 120.396 -7.496 1
1 887 . 20 1 1 A 79 79 PHE H H 117 7.410 5.816 1.594 1
1 888 . 20 1 1 A 79 79 PHE HA H 117 4.440 3.877 0.563 1
1 895 . 20 1 1 A 79 79 PHE C C 117 174.370 177.523 -3.153 1
1 896 . 20 1 1 A 79 79 PHE CA C 117 56.890 60.469 -3.579 1
1 897 . 20 1 1 A 79 79 PHE CB C 117 34.540 38.885 -4.345 1
1 898 . 20 1 1 A 79 79 PHE N N 117 121.190 121.541 -0.351 1
1 899 . 20 1 1 A 80 80 ALA H H 118 8.560 7.765 0.795 1
1 900 . 20 1 1 A 80 80 ALA HA H 118 4.140 4.122 0.018 1
1 904 . 20 1 1 A 80 80 ALA C C 118 176.482 178.354 -1.872 1
1 905 . 20 1 1 A 80 80 ALA CA C 118 52.430 53.357 -0.927 1
1 906 . 20 1 1 A 80 80 ALA CB C 118 16.160 18.264 -2.104 1
1 907 . 20 1 1 A 80 80 ALA N N 118 115.100 121.786 -6.686 1
1 908 . 20 1 1 A 81 81 THR H H 119 7.330 7.803 -0.473 1
1 909 . 20 1 1 A 81 81 THR HA H 119 4.450 4.453 -0.003 1
1 914 . 20 1 1 A 81 81 THR C C 119 172.909 174.538 -1.629 1
1 915 . 20 1 1 A 81 81 THR CA C 119 59.270 62.546 -3.276 1
1 916 . 20 1 1 A 81 81 THR CB C 119 66.770 69.806 -3.036 1
1 918 . 20 1 1 A 81 81 THR N N 119 104.710 105.836 -1.126 1
1 919 . 20 1 1 A 82 82 GLU H H 120 7.890 7.889 0.001 1
1 920 . 20 1 1 A 82 82 GLU HA H 120 4.260 4.587 -0.327 1
1 924 . 20 1 1 A 82 82 GLU C C 120 177.060 174.604 2.456 1
1 925 . 20 1 1 A 82 82 GLU CA C 120 54.740 55.499 -0.759 1
1 926 . 20 1 1 A 82 82 GLU N N 120 120.760 118.148 2.612 1
1 927 . 20 1 1 A 83 83 ILE H H 121 7.630 8.368 -0.738 1
1 928 . 20 1 1 A 83 83 ILE HA H 121 3.330 4.674 -1.344 1
1 938 . 20 1 1 A 83 83 ILE CA C 121 57.580 57.053 0.527 1
1 939 . 20 1 1 A 83 83 ILE CB C 121 35.770 40.271 -4.501 1
1 943 . 20 1 1 A 83 83 ILE N N 121 118.900 121.886 -2.986 1
1 944 . 20 1 1 A 84 84 PRO HA H 122 4.200 4.362 -0.162 1
1 951 . 20 1 1 A 84 84 PRO CA C 122 60.510 62.847 -2.337 1
1 952 . 20 1 1 A 84 84 PRO CB C 122 27.260 31.587 -4.327 1
1 955 . 20 1 1 A 86 86 THR HA H 124 3.869 3.874 -0.005 1
1 960 . 20 1 1 A 86 86 THR C C 124 172.991 176.168 -3.177 1
1 961 . 20 1 1 A 86 86 THR CA C 124 61.980 67.238 -5.258 1
1 962 . 20 1 1 A 86 86 THR CB C 124 65.710 69.005 -3.295 1
1 964 . 20 1 1 A 87 87 ILE H H 125 7.340 8.035 -0.695 1
1 965 . 20 1 1 A 87 87 ILE HA H 125 3.920 3.785 0.135 1
1 975 . 20 1 1 A 87 87 ILE C C 125 175.375 178.442 -3.067 1
1 976 . 20 1 1 A 87 87 ILE CA C 125 61.900 64.461 -2.561 1
1 977 . 20 1 1 A 87 87 ILE CB C 125 35.690 37.194 -1.504 1
1 981 . 20 1 1 A 87 87 ILE N N 125 120.800 120.996 -0.196 1
1 982 . 20 1 1 A 88 88 LEU HA H 126 4.070 3.851 0.219 1
1 992 . 20 1 1 A 88 88 LEU C C 126 177.060 178.211 -1.151 1
1 993 . 20 1 1 A 88 88 LEU CA C 126 55.950 57.979 -2.029 1
1 994 . 20 1 1 A 88 88 LEU CB C 126 39.710 41.487 -1.777 1
1 998 . 20 1 1 A 89 89 LYS H H 127 8.095 7.947 0.148 1
1 999 . 20 1 1 A 89 89 LYS HA H 127 4.030 3.864 0.166 1
1 1008 . 20 1 1 A 89 89 LYS C C 127 176.400 179.014 -2.614 1
1 1009 . 20 1 1 A 89 89 LYS CA C 127 56.010 59.108 -3.098 1
1 1010 . 20 1 1 A 89 89 LYS CB C 127 29.650 31.550 -1.900 1
1 1014 . 20 1 1 A 89 89 LYS N N 127 116.100 118.791 -2.691 1
1 1015 . 20 1 1 A 90 90 LYS H H 128 7.848 7.773 0.075 1
1 1016 . 20 1 1 A 90 90 LYS HA H 128 4.160 4.075 0.085 1
1 1019 . 20 1 1 A 90 90 LYS C C 128 174.859 178.726 -3.867 1
1 1020 . 20 1 1 A 90 90 LYS CA C 128 54.750 57.786 -3.036 1
1 1021 . 20 1 1 A 90 90 LYS CB C 128 29.280 32.475 -3.195 1
1 1022 . 20 1 1 A 90 90 LYS N N 128 119.230 118.311 0.919 1
1 1023 . 20 1 1 A 91 91 LEU H H 129 7.640 7.140 0.500 1
1 1024 . 20 1 1 A 91 91 LEU HA H 129 4.250 2.866 1.384 1
1 1034 . 20 1 1 A 91 91 LEU CA C 129 52.280 57.097 -4.817 1
1 1035 . 20 1 1 A 91 91 LEU CB C 129 39.000 40.983 -1.983 1
1 1039 . 20 1 1 A 91 91 LEU N N 129 112.650 121.396 -8.746 1
1 1040 . 20 1 1 A 92 92 ASN H H 130 7.560 7.667 -0.107 1
1 1041 . 20 1 1 A 92 92 ASN HA H 130 4.300 3.533 0.767 1
1 1046 . 20 1 1 A 92 92 ASN C C 130 172.034 176.057 -4.023 1
1 1047 . 20 1 1 A 92 92 ASN CA C 130 55.070 55.587 -0.517 1
1 1048 . 20 1 1 A 92 92 ASN CB C 130 32.670 38.209 -5.539 1
1 1049 . 20 1 1 A 92 92 ASN N N 130 111.100 116.099 -4.999 1
1 1051 . 20 1 1 A 93 93 PRO HA H 131 4.220 4.381 -0.161 1
1 1058 . 20 1 1 A 93 93 PRO C C 131 173.540 177.899 -4.359 1
1 1059 . 20 1 1 A 93 93 PRO CA C 131 62.300 64.346 -2.046 1
1 1060 . 20 1 1 A 93 93 PRO CB C 131 28.140 31.808 -3.668 1
1 1062 . 20 1 1 A 94 94 TYR H H 132 7.630 8.017 -0.387 1
1 1063 . 20 1 1 A 94 94 TYR HA H 132 4.630 4.369 0.261 1
1 1068 . 20 1 1 A 94 94 TYR C C 132 172.700 177.447 -4.747 1
1 1069 . 20 1 1 A 94 94 TYR CA C 132 54.130 60.949 -6.819 1
1 1070 . 20 1 1 A 94 94 TYR CB C 132 36.500 37.647 -1.147 1
1 1071 . 20 1 1 A 94 94 TYR N N 132 114.100 117.529 -3.429 1
1 1072 . 20 1 1 A 95 95 ARG H H 133 7.250 7.931 -0.681 1
1 1073 . 20 1 1 A 95 95 ARG HA H 133 4.290 4.430 -0.140 1
1 1081 . 20 1 1 A 95 95 ARG C C 133 173.763 176.178 -2.415 1
1 1082 . 20 1 1 A 95 95 ARG CA C 133 54.740 56.930 -2.190 1
1 1083 . 20 1 1 A 95 95 ARG CB C 133 27.880 31.617 -3.737 1
1 1086 . 20 1 1 A 95 95 ARG N N 133 119.390 121.778 -2.388 1
1 1088 . 20 1 1 A 96 96 LYS H H 134 8.658 7.767 0.891 1
1 1089 . 20 1 1 A 96 96 LYS HA H 134 4.490 4.321 0.169 1
1 1098 . 20 1 1 A 96 96 LYS C C 134 173.560 176.308 -2.748 1
1 1099 . 20 1 1 A 96 96 LYS CA C 134 52.580 55.265 -2.685 1
1 1100 . 20 1 1 A 96 96 LYS CB C 134 30.590 31.180 -0.590 1
1 1104 . 20 1 1 A 96 96 LYS N N 134 125.000 119.873 5.127 1
1 1105 . 20 1 1 A 97 97 MET H H 135 8.330 8.776 -0.446 1
1 1106 . 20 1 1 A 97 97 MET HA H 135 4.420 4.611 -0.191 1
1 1114 . 20 1 1 A 97 97 MET C C 135 172.970 175.909 -2.939 1
1 1115 . 20 1 1 A 97 97 MET CA C 135 52.490 57.764 -5.274 1
1 1116 . 20 1 1 A 97 97 MET CB C 135 30.530 33.677 -3.147 1
1 1118 . 20 1 1 A 97 97 MET N N 135 120.890 125.984 -5.094 1
1 1119 . 20 1 1 A 98 98 ALA H H 136 8.290 7.773 0.517 1
1 1120 . 20 1 1 A 98 98 ALA HA H 136 4.180 4.585 -0.405 1
1 1124 . 20 1 1 A 98 98 ALA C C 136 173.767 175.668 -1.901 1
1 1125 . 20 1 1 A 98 98 ALA CA C 136 49.750 51.485 -1.735 1
1 1126 . 20 1 1 A 98 98 ALA CB C 136 16.350 21.661 -5.311 1
1 1127 . 20 1 1 A 98 98 ALA N N 136 126.050 117.956 8.094 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 89 2.964 1
2 1 1 1 "RMS(OBS, PRED)" CA 94 3.072 1
3 1 1 1 "RMS(OBS, PRED)" CB 89 3.077 1
4 1 1 1 "RMS(OBS, PRED)" H 86 0.546 1
5 1 1 1 "RMS(OBS, PRED)" HA 96 0.334 1
6 1 1 1 "RMS(OBS, PRED)" N 85 3.456 1
7 1 2 1 "RMS(OBS, PRED)" C 89 2.996 1
8 1 2 1 "RMS(OBS, PRED)" CA 94 3.117 1
9 1 2 1 "RMS(OBS, PRED)" CB 89 2.945 1
10 1 2 1 "RMS(OBS, PRED)" H 86 0.559 1
11 1 2 1 "RMS(OBS, PRED)" HA 96 0.383 1
12 1 2 1 "RMS(OBS, PRED)" N 85 3.421 1
13 1 3 1 "RMS(OBS, PRED)" C 89 3.020 1
14 1 3 1 "RMS(OBS, PRED)" CA 94 3.069 1
15 1 3 1 "RMS(OBS, PRED)" CB 89 3.038 1
16 1 3 1 "RMS(OBS, PRED)" H 86 0.553 1
17 1 3 1 "RMS(OBS, PRED)" HA 96 0.420 1
18 1 3 1 "RMS(OBS, PRED)" N 85 3.440 1
19 1 4 1 "RMS(OBS, PRED)" C 89 2.947 1
20 1 4 1 "RMS(OBS, PRED)" CA 94 3.210 1
21 1 4 1 "RMS(OBS, PRED)" CB 89 2.908 1
22 1 4 1 "RMS(OBS, PRED)" H 86 0.520 1
23 1 4 1 "RMS(OBS, PRED)" HA 96 0.380 1
24 1 4 1 "RMS(OBS, PRED)" N 85 3.313 1
25 1 5 1 "RMS(OBS, PRED)" C 89 2.947 1
26 1 5 1 "RMS(OBS, PRED)" CA 94 2.920 1
27 1 5 1 "RMS(OBS, PRED)" CB 89 3.101 1
28 1 5 1 "RMS(OBS, PRED)" H 86 0.582 1
29 1 5 1 "RMS(OBS, PRED)" HA 96 0.415 1
30 1 5 1 "RMS(OBS, PRED)" N 85 3.461 1
31 1 6 1 "RMS(OBS, PRED)" C 89 3.059 1
32 1 6 1 "RMS(OBS, PRED)" CA 94 3.060 1
33 1 6 1 "RMS(OBS, PRED)" CB 89 3.112 1
34 1 6 1 "RMS(OBS, PRED)" H 86 0.553 1
35 1 6 1 "RMS(OBS, PRED)" HA 96 0.353 1
36 1 6 1 "RMS(OBS, PRED)" N 85 3.543 1
37 1 7 1 "RMS(OBS, PRED)" C 89 3.055 1
38 1 7 1 "RMS(OBS, PRED)" CA 94 2.985 1
39 1 7 1 "RMS(OBS, PRED)" CB 89 3.034 1
40 1 7 1 "RMS(OBS, PRED)" H 86 0.576 1
41 1 7 1 "RMS(OBS, PRED)" HA 96 0.350 1
42 1 7 1 "RMS(OBS, PRED)" N 85 3.495 1
43 1 8 1 "RMS(OBS, PRED)" C 89 2.910 1
44 1 8 1 "RMS(OBS, PRED)" CA 94 2.959 1
45 1 8 1 "RMS(OBS, PRED)" CB 89 3.189 1
46 1 8 1 "RMS(OBS, PRED)" H 86 0.596 1
47 1 8 1 "RMS(OBS, PRED)" HA 96 0.377 1
48 1 8 1 "RMS(OBS, PRED)" N 85 3.361 1
49 1 9 1 "RMS(OBS, PRED)" C 89 3.068 1
50 1 9 1 "RMS(OBS, PRED)" CA 94 3.155 1
51 1 9 1 "RMS(OBS, PRED)" CB 89 2.851 1
52 1 9 1 "RMS(OBS, PRED)" H 86 0.479 1
53 1 9 1 "RMS(OBS, PRED)" HA 96 0.367 1
54 1 9 1 "RMS(OBS, PRED)" N 85 3.162 1
55 1 10 1 "RMS(OBS, PRED)" C 89 2.958 1
56 1 10 1 "RMS(OBS, PRED)" CA 94 2.890 1
57 1 10 1 "RMS(OBS, PRED)" CB 89 2.848 1
58 1 10 1 "RMS(OBS, PRED)" H 86 0.589 1
59 1 10 1 "RMS(OBS, PRED)" HA 96 0.378 1
60 1 10 1 "RMS(OBS, PRED)" N 85 3.417 1
61 1 11 1 "RMS(OBS, PRED)" C 89 2.951 1
62 1 11 1 "RMS(OBS, PRED)" CA 94 3.014 1
63 1 11 1 "RMS(OBS, PRED)" CB 89 2.866 1
64 1 11 1 "RMS(OBS, PRED)" H 86 0.573 1
65 1 11 1 "RMS(OBS, PRED)" HA 96 0.500 1
66 1 11 1 "RMS(OBS, PRED)" N 85 3.215 1
67 1 12 1 "RMS(OBS, PRED)" C 89 2.940 1
68 1 12 1 "RMS(OBS, PRED)" CA 94 2.948 1
69 1 12 1 "RMS(OBS, PRED)" CB 89 3.107 1
70 1 12 1 "RMS(OBS, PRED)" H 86 0.586 1
71 1 12 1 "RMS(OBS, PRED)" HA 96 0.397 1
72 1 12 1 "RMS(OBS, PRED)" N 85 3.803 1
73 1 13 1 "RMS(OBS, PRED)" C 89 2.999 1
74 1 13 1 "RMS(OBS, PRED)" CA 94 2.957 1
75 1 13 1 "RMS(OBS, PRED)" CB 89 2.906 1
76 1 13 1 "RMS(OBS, PRED)" H 86 0.627 1
77 1 13 1 "RMS(OBS, PRED)" HA 96 0.369 1
78 1 13 1 "RMS(OBS, PRED)" N 85 3.522 1
79 1 14 1 "RMS(OBS, PRED)" C 89 3.059 1
80 1 14 1 "RMS(OBS, PRED)" CA 94 3.150 1
81 1 14 1 "RMS(OBS, PRED)" CB 89 2.803 1
82 1 14 1 "RMS(OBS, PRED)" H 86 0.640 1
83 1 14 1 "RMS(OBS, PRED)" HA 96 0.376 1
84 1 14 1 "RMS(OBS, PRED)" N 85 3.441 1
85 1 15 1 "RMS(OBS, PRED)" C 89 3.082 1
86 1 15 1 "RMS(OBS, PRED)" CA 94 2.979 1
87 1 15 1 "RMS(OBS, PRED)" CB 89 2.975 1
88 1 15 1 "RMS(OBS, PRED)" H 86 0.565 1
89 1 15 1 "RMS(OBS, PRED)" HA 96 0.381 1
90 1 15 1 "RMS(OBS, PRED)" N 85 3.145 1
91 1 16 1 "RMS(OBS, PRED)" C 89 3.014 1
92 1 16 1 "RMS(OBS, PRED)" CA 94 3.144 1
93 1 16 1 "RMS(OBS, PRED)" CB 89 3.016 1
94 1 16 1 "RMS(OBS, PRED)" H 86 0.612 1
95 1 16 1 "RMS(OBS, PRED)" HA 96 0.349 1
96 1 16 1 "RMS(OBS, PRED)" N 85 3.634 1
97 1 17 1 "RMS(OBS, PRED)" C 89 2.991 1
98 1 17 1 "RMS(OBS, PRED)" CA 94 2.929 1
99 1 17 1 "RMS(OBS, PRED)" CB 89 2.918 1
100 1 17 1 "RMS(OBS, PRED)" H 86 0.572 1
101 1 17 1 "RMS(OBS, PRED)" HA 96 0.395 1
102 1 17 1 "RMS(OBS, PRED)" N 85 3.658 1
103 1 18 1 "RMS(OBS, PRED)" C 89 2.835 1
104 1 18 1 "RMS(OBS, PRED)" CA 94 2.936 1
105 1 18 1 "RMS(OBS, PRED)" CB 89 3.045 1
106 1 18 1 "RMS(OBS, PRED)" H 86 0.557 1
107 1 18 1 "RMS(OBS, PRED)" HA 96 0.374 1
108 1 18 1 "RMS(OBS, PRED)" N 85 3.287 1
109 1 19 1 "RMS(OBS, PRED)" C 89 2.982 1
110 1 19 1 "RMS(OBS, PRED)" CA 94 3.055 1
111 1 19 1 "RMS(OBS, PRED)" CB 89 3.040 1
112 1 19 1 "RMS(OBS, PRED)" H 86 0.591 1
113 1 19 1 "RMS(OBS, PRED)" HA 96 0.332 1
114 1 19 1 "RMS(OBS, PRED)" N 85 3.198 1
115 1 20 1 "RMS(OBS, PRED)" C 89 3.029 1
116 1 20 1 "RMS(OBS, PRED)" CA 94 2.994 1
117 1 20 1 "RMS(OBS, PRED)" CB 89 3.050 1
118 1 20 1 "RMS(OBS, PRED)" H 86 0.601 1
119 1 20 1 "RMS(OBS, PRED)" HA 96 0.445 1
120 1 20 1 "RMS(OBS, PRED)" N 85 3.496 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 3 3 VAL HA H 41 3.360 3.682 -0.322 2
1 9 . 1 1 A 3 3 VAL CA C 41 64.070 65.995 -1.925 2
1 10 . 1 1 A 3 3 VAL CB C 41 28.620 31.575 -2.955 2
1 13 . 1 1 A 4 4 LYS H H 42 8.223 8.094 0.129 2
1 14 . 1 1 A 4 4 LYS HA H 42 3.610 4.022 -0.412 2
1 21 . 1 1 A 4 4 LYS C C 42 175.928 179.056 -3.128 2
1 22 . 1 1 A 4 4 LYS CA C 42 58.640 59.135 -0.495 2
1 23 . 1 1 A 4 4 LYS CB C 42 28.640 31.900 -3.260 2
1 25 . 1 1 A 4 4 LYS N N 42 118.080 120.114 -2.034 2
1 26 . 1 1 A 5 5 ARG H H 43 7.920 7.810 0.110 2
1 27 . 1 1 A 5 5 ARG HA H 43 4.060 4.083 -0.023 2
1 34 . 1 1 A 5 5 ARG C C 43 177.798 178.589 -0.791 2
1 35 . 1 1 A 5 5 ARG CA C 43 56.640 58.648 -2.008 2
1 36 . 1 1 A 5 5 ARG CB C 43 27.200 29.968 -2.768 2
1 38 . 1 1 A 5 5 ARG N N 43 117.720 119.843 -2.123 2
1 39 . 1 1 A 6 6 LEU H H 44 7.660 7.900 -0.240 2
1 40 . 1 1 A 6 6 LEU HA H 44 4.100 4.095 0.005 2
1 50 . 1 1 A 6 6 LEU C C 44 176.114 178.731 -2.617 2
1 51 . 1 1 A 6 6 LEU CA C 44 55.100 57.551 -2.451 2
1 52 . 1 1 A 6 6 LEU CB C 44 39.570 42.042 -2.472 2
1 56 . 1 1 A 6 6 LEU N N 44 121.040 119.898 1.142 2
1 57 . 1 1 A 7 7 LEU H H 45 7.520 7.810 -0.290 2
1 58 . 1 1 A 7 7 LEU HA H 45 4.350 4.340 0.010 2
1 68 . 1 1 A 7 7 LEU C C 45 172.937 178.715 -5.778 2
1 69 . 1 1 A 7 7 LEU CA C 45 51.480 55.809 -4.329 2
1 70 . 1 1 A 7 7 LEU CB C 45 40.300 42.325 -2.025 2
1 74 . 1 1 A 7 7 LEU N N 45 116.660 115.552 1.108 2
1 75 . 1 1 A 8 8 SER H H 46 7.840 8.447 -0.607 2
1 76 . 1 1 A 8 8 SER HA H 46 3.960 4.346 -0.386 2
1 79 . 1 1 A 8 8 SER CA C 46 56.360 60.701 -4.341 2
1 80 . 1 1 A 8 8 SER CB C 46 58.870 63.092 -4.222 2
1 81 . 1 1 A 8 8 SER N N 46 113.750 115.325 -1.575 2
1 82 . 1 1 A 9 9 ILE H H 47 8.290 7.540 0.750 2
1 83 . 1 1 A 9 9 ILE HA H 47 4.230 4.383 -0.153 2
1 93 . 1 1 A 9 9 ILE C C 47 174.540 175.928 -1.388 2
1 94 . 1 1 A 9 9 ILE CA C 47 58.680 62.182 -3.502 2
1 95 . 1 1 A 9 9 ILE CB C 47 36.912 39.139 -2.227 2
1 99 . 1 1 A 9 9 ILE N N 47 119.850 117.028 2.822 2
1 100 . 1 1 A 10 10 THR H H 48 8.760 8.035 0.725 2
1 101 . 1 1 A 10 10 THR HA H 48 4.465 4.418 0.047 2
1 106 . 1 1 A 10 10 THR C C 48 171.266 174.239 -2.973 2
1 107 . 1 1 A 10 10 THR CA C 48 58.390 61.624 -3.234 2
1 108 . 1 1 A 10 10 THR CB C 48 66.310 67.501 -1.191 2
1 110 . 1 1 A 10 10 THR N N 48 117.590 114.827 2.763 2
1 111 . 1 1 A 11 11 ASN H H 49 7.360 8.090 -0.730 2
1 112 . 1 1 A 11 11 ASN HA H 49 4.909 4.894 0.015 2
1 117 . 1 1 A 11 11 ASN C C 49 172.506 174.792 -2.286 2
1 118 . 1 1 A 11 11 ASN CA C 49 49.430 53.890 -4.460 2
1 119 . 1 1 A 11 11 ASN CB C 49 37.420 40.949 -3.529 2
1 120 . 1 1 A 11 11 ASN N N 49 113.560 121.157 -7.597 2
1 122 . 1 1 A 12 12 ASP H H 50 8.256 8.260 -0.004 2
1 123 . 1 1 A 12 12 ASP HA H 50 4.650 4.591 0.059 2
1 126 . 1 1 A 12 12 ASP C C 50 176.400 177.237 -0.837 2
1 127 . 1 1 A 12 12 ASP CA C 50 51.210 54.320 -3.110 2
1 128 . 1 1 A 12 12 ASP CB C 50 38.080 41.737 -3.657 2
1 129 . 1 1 A 12 12 ASP N N 50 117.210 120.079 -2.869 2
1 130 . 1 1 A 13 13 LYS H H 51 7.895 8.559 -0.664 2
1 131 . 1 1 A 13 13 LYS HA H 51 3.840 4.092 -0.252 2
1 140 . 1 1 A 13 13 LYS C C 51 174.700 178.119 -3.419 2
1 141 . 1 1 A 13 13 LYS CA C 51 56.320 58.394 -2.074 2
1 142 . 1 1 A 13 13 LYS CB C 51 29.760 32.341 -2.581 2
1 146 . 1 1 A 13 13 LYS N N 51 120.500 121.832 -1.333 2
1 147 . 1 1 A 14 14 HIS H H 52 9.000 8.011 0.989 2
1 148 . 1 1 A 14 14 HIS HA H 52 5.120 4.669 0.451 2
1 152 . 1 1 A 14 14 HIS C C 52 173.200 176.424 -3.224 2
1 153 . 1 1 A 14 14 HIS CA C 52 52.370 57.767 -5.397 2
1 154 . 1 1 A 14 14 HIS CB C 52 27.520 29.353 -1.833 2
1 155 . 1 1 A 14 14 HIS N N 52 116.200 117.485 -1.285 2
1 156 . 1 1 A 15 15 ASP H H 53 7.640 8.311 -0.671 2
1 157 . 1 1 A 15 15 ASP HA H 53 4.120 4.279 -0.159 2
1 160 . 1 1 A 15 15 ASP C C 53 176.183 178.369 -2.186 2
1 161 . 1 1 A 15 15 ASP CA C 53 56.060 57.326 -1.266 2
1 162 . 1 1 A 15 15 ASP CB C 53 36.350 40.913 -4.563 2
1 163 . 1 1 A 15 15 ASP N N 53 122.780 120.338 2.442 2
1 164 . 1 1 A 16 16 GLU H H 54 8.890 8.257 0.633 2
1 165 . 1 1 A 16 16 GLU HA H 54 4.020 4.086 -0.066 2
1 170 . 1 1 A 16 16 GLU CA C 54 57.770 59.325 -1.555 2
1 171 . 1 1 A 16 16 GLU CB C 54 26.330 29.260 -2.930 2
1 173 . 1 1 A 16 16 GLU N N 54 122.770 118.783 3.987 2
1 174 . 1 1 A 17 17 TYR H H 55 8.130 8.265 -0.135 2
1 175 . 1 1 A 17 17 TYR HA H 55 4.390 4.189 0.201 2
1 180 . 1 1 A 17 17 TYR C C 55 175.213 177.647 -2.434 2
1 181 . 1 1 A 17 17 TYR CA C 55 58.150 61.374 -3.224 2
1 182 . 1 1 A 17 17 TYR CB C 55 36.000 38.621 -2.621 2
1 185 . 1 1 A 17 17 TYR N N 55 121.000 121.510 -0.510 2
1 186 . 1 1 A 18 18 LEU H H 56 8.740 8.570 0.170 2
1 187 . 1 1 A 18 18 LEU HA H 56 3.710 3.913 -0.203 2
1 197 . 1 1 A 18 18 LEU C C 56 175.500 178.581 -3.081 2
1 198 . 1 1 A 18 18 LEU CA C 56 55.470 58.124 -2.654 2
1 199 . 1 1 A 18 18 LEU CB C 56 39.920 41.553 -1.633 2
1 203 . 1 1 A 18 18 LEU N N 56 118.100 120.369 -2.269 2
1 204 . 1 1 A 19 19 THR H H 57 8.420 8.076 0.344 2
1 205 . 1 1 A 19 19 THR HA H 57 3.820 3.874 -0.055 2
1 210 . 1 1 A 19 19 THR C C 57 172.234 177.038 -4.804 2
1 211 . 1 1 A 19 19 THR CA C 57 64.220 65.901 -1.681 2
1 212 . 1 1 A 19 19 THR CB C 57 66.050 68.394 -2.344 2
1 214 . 1 1 A 19 19 THR N N 57 114.940 112.413 2.527 2
1 215 . 1 1 A 20 20 GLU H H 58 7.087 7.880 -0.793 2
1 216 . 1 1 A 20 20 GLU HA H 58 4.320 3.946 0.374 2
1 221 . 1 1 A 20 20 GLU C C 58 175.554 179.078 -3.524 2
1 222 . 1 1 A 20 20 GLU CA C 58 55.170 59.420 -4.250 2
1 223 . 1 1 A 20 20 GLU CB C 58 27.920 29.064 -1.144 2
1 225 . 1 1 A 20 20 GLU N N 58 117.800 121.672 -3.872 2
1 226 . 1 1 A 21 21 MET H H 59 8.320 7.676 0.645 2
1 227 . 1 1 A 21 21 MET HA H 59 4.330 3.185 1.145 2
1 235 . 1 1 A 21 21 MET C C 59 175.330 178.392 -3.062 2
1 236 . 1 1 A 21 21 MET CA C 59 54.270 58.100 -3.830 2
1 237 . 1 1 A 21 21 MET CB C 59 30.620 31.903 -1.283 2
1 240 . 1 1 A 21 21 MET N N 59 116.300 119.249 -2.949 2
1 241 . 1 1 A 22 22 VAL H H 60 8.800 7.617 1.183 2
1 242 . 1 1 A 22 22 VAL HA H 60 3.630 3.533 0.097 2
1 250 . 1 1 A 22 22 VAL C C 60 172.042 174.771 -2.729 2
1 251 . 1 1 A 22 22 VAL CA C 60 66.980 67.182 -0.202 2
1 252 . 1 1 A 22 22 VAL CB C 60 26.120 29.600 -3.480 2
1 255 . 1 1 A 22 22 VAL N N 60 117.600 119.319 -1.719 2
1 256 . 1 1 A 23 23 PRO HA H 61 4.270 4.326 -0.056 2
1 263 . 1 1 A 23 23 PRO C C 61 177.110 179.072 -1.963 2
1 264 . 1 1 A 23 23 PRO CA C 61 63.460 65.397 -1.937 2
1 265 . 1 1 A 23 23 PRO CB C 61 28.400 31.194 -2.794 2
1 267 . 1 1 A 24 24 LEU H H 62 6.700 7.134 -0.434 2
1 268 . 1 1 A 24 24 LEU HA H 62 4.250 3.978 0.272 2
1 278 . 1 1 A 24 24 LEU C C 62 177.872 179.195 -1.323 2
1 279 . 1 1 A 24 24 LEU CA C 62 55.130 57.706 -2.576 2
1 280 . 1 1 A 24 24 LEU CB C 62 39.440 41.654 -2.213 2
1 284 . 1 1 A 24 24 LEU N N 62 115.750 117.597 -1.847 2
1 285 . 1 1 A 25 25 LEU H H 63 8.190 7.719 0.471 2
1 286 . 1 1 A 25 25 LEU HA H 63 3.920 4.156 -0.236 2
1 296 . 1 1 A 25 25 LEU C C 63 176.367 178.546 -2.179 2
1 297 . 1 1 A 25 25 LEU CA C 63 54.950 58.160 -3.210 2
1 298 . 1 1 A 25 25 LEU CB C 63 41.090 41.875 -0.785 2
1 302 . 1 1 A 25 25 LEU N N 63 121.800 119.946 1.854 2
1 303 . 1 1 A 26 26 VAL H H 64 8.590 8.613 -0.023 2
1 304 . 1 1 A 26 26 VAL HA H 64 3.480 3.768 -0.288 2
1 312 . 1 1 A 26 26 VAL C C 64 174.801 177.918 -3.117 2
1 313 . 1 1 A 26 26 VAL CA C 64 64.860 66.271 -1.411 2
1 314 . 1 1 A 26 26 VAL CB C 64 28.900 31.424 -2.524 2
1 317 . 1 1 A 26 26 VAL N N 64 120.990 118.528 2.462 2
1 318 . 1 1 A 27 27 GLU H H 65 8.090 8.081 0.009 2
1 319 . 1 1 A 27 27 GLU HA H 65 3.970 3.759 0.211 2
1 324 . 1 1 A 27 27 GLU C C 65 176.169 178.793 -2.624 2
1 325 . 1 1 A 27 27 GLU CA C 65 56.990 59.104 -2.114 2
1 326 . 1 1 A 27 27 GLU CB C 65 26.540 29.308 -2.768 2
1 328 . 1 1 A 27 27 GLU N N 65 118.990 120.952 -1.962 2
1 329 . 1 1 A 28 28 PHE H H 66 8.075 7.939 0.136 2
1 330 . 1 1 A 28 28 PHE HA H 66 4.570 4.240 0.330 2
1 337 . 1 1 A 28 28 PHE C C 66 173.482 177.422 -3.940 2
1 338 . 1 1 A 28 28 PHE CA C 66 58.390 61.573 -3.183 2
1 339 . 1 1 A 28 28 PHE CB C 66 36.680 39.202 -2.522 2
1 340 . 1 1 A 28 28 PHE N N 66 119.000 121.239 -2.239 2
1 341 . 1 1 A 29 29 ALA H H 67 8.420 8.619 -0.199 2
1 342 . 1 1 A 29 29 ALA HA H 67 3.500 3.744 -0.244 2
1 346 . 1 1 A 29 29 ALA C C 67 176.624 179.787 -3.163 2
1 347 . 1 1 A 29 29 ALA CA C 67 52.800 54.919 -2.119 2
1 348 . 1 1 A 29 29 ALA CB C 67 15.290 18.252 -2.962 2
1 349 . 1 1 A 29 29 ALA N N 67 121.810 121.294 0.516 2
1 350 . 1 1 A 30 30 LYS H H 68 8.227 7.862 0.365 2
1 351 . 1 1 A 30 30 LYS HA H 68 4.090 4.026 0.064 2
1 360 . 1 1 A 30 30 LYS C C 68 177.400 179.039 -1.639 2
1 361 . 1 1 A 30 30 LYS CA C 68 56.700 58.887 -2.187 2
1 362 . 1 1 A 30 30 LYS CB C 68 31.230 31.601 -0.371 2
1 366 . 1 1 A 30 30 LYS N N 68 117.500 118.010 -0.510 2
1 367 . 1 1 A 31 31 ASP H H 69 7.820 8.018 -0.198 2
1 368 . 1 1 A 31 31 ASP HA H 69 4.210 4.642 -0.432 2
1 371 . 1 1 A 31 31 ASP C C 69 176.438 178.423 -1.985 2
1 372 . 1 1 A 31 31 ASP CA C 69 54.310 56.901 -2.591 2
1 373 . 1 1 A 31 31 ASP CB C 69 38.320 41.295 -2.975 2
1 374 . 1 1 A 31 31 ASP N N 69 120.370 119.548 0.822 2
1 375 . 1 1 A 32 32 GLU H H 70 8.840 8.345 0.495 2
1 376 . 1 1 A 32 32 GLU HA H 70 3.730 4.034 -0.304 2
1 381 . 1 1 A 32 32 GLU C C 70 176.119 177.736 -1.617 2
1 382 . 1 1 A 32 32 GLU CA C 70 55.270 59.010 -3.740 2
1 383 . 1 1 A 32 32 GLU CB C 70 26.810 29.236 -2.426 2
1 385 . 1 1 A 32 32 GLU N N 70 120.750 118.138 2.612 2
1 386 . 1 1 A 33 33 CYS H H 71 7.960 7.844 0.116 2
1 387 . 1 1 A 33 33 CYS HA H 71 4.070 4.542 -0.472 2
1 390 . 1 1 A 33 33 CYS C C 71 170.993 174.562 -3.569 2
1 391 . 1 1 A 33 33 CYS CA C 71 58.160 59.101 -0.941 2
1 392 . 1 1 A 33 33 CYS CB C 71 26.000 27.939 -1.939 2
1 393 . 1 1 A 33 33 CYS N N 71 111.530 116.889 -5.359 2
1 394 . 1 1 A 34 34 HIS H H 72 7.560 8.067 -0.507 2
1 395 . 1 1 A 34 34 HIS HA H 72 4.040 4.358 -0.318 2
1 398 . 1 1 A 34 34 HIS C C 72 170.400 174.312 -3.912 2
1 399 . 1 1 A 34 34 HIS CA C 72 53.230 57.700 -4.470 2
1 400 . 1 1 A 34 34 HIS CB C 72 23.830 28.042 -4.212 2
1 401 . 1 1 A 34 34 HIS N N 72 118.100 116.997 1.103 2
1 402 . 1 1 A 35 35 ASN H H 73 7.590 7.911 -0.321 2
1 403 . 1 1 A 35 35 ASN HA H 73 4.805 4.938 -0.133 2
1 408 . 1 1 A 35 35 ASN C C 73 170.429 175.093 -4.664 2
1 409 . 1 1 A 35 35 ASN CA C 73 46.130 50.978 -4.848 2
1 410 . 1 1 A 35 35 ASN CB C 73 39.580 39.495 0.085 2
1 411 . 1 1 A 35 35 ASN N N 73 112.400 116.756 -4.356 2
1 413 . 1 1 A 36 36 PRO HA H 74 4.120 4.139 -0.019 2
1 420 . 1 1 A 36 36 PRO C C 74 173.450 176.727 -3.277 2
1 421 . 1 1 A 36 36 PRO CA C 74 59.950 62.894 -2.944 2
1 422 . 1 1 A 36 36 PRO CB C 74 29.200 31.231 -2.031 2
1 425 . 1 1 A 37 37 PHE H H 75 8.057 7.491 0.566 2
1 426 . 1 1 A 37 37 PHE HA H 75 4.200 4.310 -0.110 2
1 432 . 1 1 A 37 37 PHE C C 75 171.107 174.642 -3.535 2
1 433 . 1 1 A 37 37 PHE CA C 75 55.120 58.390 -3.270 2
1 434 . 1 1 A 37 37 PHE CB C 75 33.760 37.312 -3.552 2
1 436 . 1 1 A 38 38 ILE H H 76 7.610 7.566 0.044 2
1 437 . 1 1 A 38 38 ILE HA H 76 4.870 4.725 0.145 2
1 447 . 1 1 A 38 38 ILE C C 76 174.180 174.569 -0.389 2
1 448 . 1 1 A 38 38 ILE CA C 76 56.300 59.928 -3.628 2
1 449 . 1 1 A 38 38 ILE CB C 76 38.040 40.221 -2.181 2
1 453 . 1 1 A 38 38 ILE N N 76 113.800 120.349 -6.549 2
1 454 . 1 1 A 39 39 ASP H H 77 8.830 8.916 -0.086 2
1 455 . 1 1 A 39 39 ASP HA H 77 4.710 4.961 -0.251 2
1 458 . 1 1 A 39 39 ASP C C 77 175.969 177.047 -1.078 2
1 459 . 1 1 A 39 39 ASP CA C 77 49.800 52.261 -2.461 2
1 460 . 1 1 A 39 39 ASP CB C 77 39.180 43.414 -4.234 2
1 461 . 1 1 A 39 39 ASP N N 77 125.380 125.365 0.015 2
1 462 . 1 1 A 40 40 LYS H H 78 8.370 8.837 -0.467 2
1 463 . 1 1 A 40 40 LYS HA H 78 4.100 4.039 0.061 2
1 468 . 1 1 A 40 40 LYS C C 78 174.100 177.035 -2.935 2
1 469 . 1 1 A 40 40 LYS CA C 78 55.800 58.716 -2.916 2
1 470 . 1 1 A 40 40 LYS CB C 78 29.120 32.155 -3.035 2
1 471 . 1 1 A 40 40 LYS N N 78 116.800 122.416 -5.616 2
1 472 . 1 1 A 41 41 ASP H H 79 8.030 7.779 0.251 2
1 473 . 1 1 A 41 41 ASP HA H 79 4.810 4.771 0.039 2
1 476 . 1 1 A 41 41 ASP C C 79 173.360 176.570 -3.210 2
1 477 . 1 1 A 41 41 ASP CA C 79 51.650 53.874 -2.224 2
1 478 . 1 1 A 41 41 ASP CB C 79 39.570 41.514 -1.944 2
1 479 . 1 1 A 41 41 ASP N N 79 118.660 117.854 0.806 2
1 480 . 1 1 A 42 42 GLY H H 80 8.090 8.277 -0.187 2
1 481 . 1 1 A 42 42 GLY HA2 H 80 4.230 3.925 0.305 2
1 482 . 1 1 A 42 42 GLY HA3 H 80 3.490 3.929 -0.439 2
1 483 . 1 1 A 42 42 GLY C C 80 171.399 174.298 -2.899 2
1 484 . 1 1 A 42 42 GLY CA C 80 42.720 46.081 -3.361 2
1 485 . 1 1 A 42 42 GLY N N 80 107.750 108.716 -0.966 2
1 486 . 1 1 A 43 43 ASN H H 81 8.470 8.053 0.416 2
1 487 . 1 1 A 43 43 ASN HA H 81 4.815 5.013 -0.198 2
1 492 . 1 1 A 43 43 ASN C C 81 172.066 175.009 -2.943 2
1 493 . 1 1 A 43 43 ASN CA C 81 49.580 52.427 -2.847 2
1 494 . 1 1 A 43 43 ASN CB C 81 36.800 40.166 -3.366 2
1 495 . 1 1 A 43 43 ASN N N 81 117.600 118.966 -1.366 2
1 497 . 1 1 A 44 44 GLU H H 82 8.730 8.517 0.213 2
1 498 . 1 1 A 44 44 GLU HA H 82 4.370 4.591 -0.221 2
1 503 . 1 1 A 44 44 GLU C C 82 173.651 175.652 -2.001 2
1 504 . 1 1 A 44 44 GLU CA C 82 55.170 56.548 -1.378 2
1 505 . 1 1 A 44 44 GLU CB C 82 27.740 30.541 -2.801 2
1 507 . 1 1 A 44 44 GLU N N 82 123.400 121.843 1.557 2
1 508 . 1 1 A 45 45 SER H H 83 8.960 9.025 -0.065 2
1 509 . 1 1 A 45 45 SER HA H 83 4.510 5.143 -0.633 2
1 512 . 1 1 A 45 45 SER C C 83 170.100 172.988 -2.888 2
1 513 . 1 1 A 45 45 SER CA C 83 53.800 56.851 -3.051 2
1 514 . 1 1 A 45 45 SER CB C 83 60.320 65.351 -5.031 2
1 515 . 1 1 A 45 45 SER N N 83 123.400 117.562 5.838 2
1 516 . 1 1 A 46 46 ILE H H 84 8.990 8.936 0.054 2
1 517 . 1 1 A 46 46 ILE HA H 84 3.880 4.735 -0.855 2
1 527 . 1 1 A 46 46 ILE C C 84 177.600 174.363 3.237 2
1 528 . 1 1 A 46 46 ILE CA C 84 55.490 57.679 -2.189 2
1 529 . 1 1 A 46 46 ILE CB C 84 34.850 40.650 -5.800 2
1 533 . 1 1 A 46 46 ILE N N 84 127.800 124.855 2.945 2
1 534 . 1 1 A 47 47 PRO HA H 85 3.840 4.679 -0.839 2
1 541 . 1 1 A 47 47 PRO C C 85 172.918 177.239 -4.321 2
1 542 . 1 1 A 47 47 PRO CA C 85 61.880 62.179 -0.299 2
1 543 . 1 1 A 47 47 PRO CB C 85 34.920 33.056 1.864 2
1 546 . 1 1 A 48 48 SER H H 86 7.780 8.752 -0.972 2
1 547 . 1 1 A 48 48 SER C C 86 174.554 176.970 -2.416 2
1 548 . 1 1 A 49 49 GLY H H 87 8.230 8.314 -0.084 2
1 549 . 1 1 A 49 49 GLY HA2 H 87 4.300 3.736 0.564 2
1 550 . 1 1 A 49 49 GLY HA3 H 87 3.950 3.751 0.199 2
1 551 . 1 1 A 49 49 GLY C C 87 173.507 175.980 -2.473 2
1 552 . 1 1 A 49 49 GLY CA C 87 44.600 47.357 -2.757 2
1 553 . 1 1 A 49 49 GLY N N 87 105.900 109.233 -3.333 2
1 554 . 1 1 A 50 50 VAL H H 88 6.855 8.147 -1.292 2
1 555 . 1 1 A 50 50 VAL HA H 88 3.510 3.949 -0.439 2
1 563 . 1 1 A 50 50 VAL C C 88 174.450 178.127 -3.677 2
1 564 . 1 1 A 50 50 VAL CA C 88 62.420 65.623 -3.203 2
1 565 . 1 1 A 50 50 VAL CB C 88 28.000 31.471 -3.471 2
1 568 . 1 1 A 50 50 VAL N N 88 119.950 121.760 -1.810 2
1 569 . 1 1 A 51 51 LEU H H 89 7.360 7.814 -0.454 2
1 570 . 1 1 A 51 51 LEU HA H 89 3.570 4.092 -0.522 2
1 580 . 1 1 A 51 51 LEU C C 89 175.078 178.380 -3.302 2
1 581 . 1 1 A 51 51 LEU CA C 89 55.490 58.082 -2.592 2
1 582 . 1 1 A 51 51 LEU CB C 89 37.320 41.631 -4.311 2
1 586 . 1 1 A 51 51 LEU N N 89 122.100 122.055 0.045 2
1 587 . 1 1 A 52 52 ILE H H 90 7.770 7.699 0.071 2
1 588 . 1 1 A 52 52 ILE HA H 90 3.600 3.863 -0.263 2
1 598 . 1 1 A 52 52 ILE C C 90 175.000 178.037 -3.037 2
1 599 . 1 1 A 52 52 ILE CA C 90 62.720 64.311 -1.591 2
1 600 . 1 1 A 52 52 ILE CB C 90 34.510 37.420 -2.910 2
1 604 . 1 1 A 52 52 ILE N N 90 117.460 116.353 1.107 2
1 605 . 1 1 A 53 53 PHE H H 91 7.400 8.099 -0.699 2
1 606 . 1 1 A 53 53 PHE HA H 91 3.900 4.212 -0.312 2
1 613 . 1 1 A 53 53 PHE C C 91 172.073 177.095 -5.022 2
1 614 . 1 1 A 53 53 PHE CA C 91 59.340 61.466 -2.126 2
1 615 . 1 1 A 53 53 PHE CB C 91 35.540 39.047 -3.507 2
1 616 . 1 1 A 53 53 PHE N N 91 119.280 124.244 -4.964 2
1 617 . 1 1 A 54 54 VAL H H 92 8.450 8.128 0.322 2
1 618 . 1 1 A 54 54 VAL HA H 92 2.850 3.450 -0.600 2
1 626 . 1 1 A 54 54 VAL C C 92 174.300 177.875 -3.575 2
1 627 . 1 1 A 54 54 VAL CA C 92 63.860 65.427 -1.567 2
1 628 . 1 1 A 54 54 VAL CB C 92 28.570 31.092 -2.522 2
1 631 . 1 1 A 54 54 VAL N N 92 119.170 118.430 0.740 2
1 632 . 1 1 A 55 55 ALA H H 93 8.615 8.037 0.578 2
1 633 . 1 1 A 55 55 ALA HA H 93 3.750 3.939 -0.189 2
1 637 . 1 1 A 55 55 ALA C C 93 176.294 179.764 -3.470 2
1 638 . 1 1 A 55 55 ALA CA C 93 52.800 55.623 -2.823 2
1 639 . 1 1 A 55 55 ALA CB C 93 16.050 18.351 -2.301 2
1 640 . 1 1 A 55 55 ALA N N 93 120.170 123.309 -3.139 2
1 641 . 1 1 A 56 56 LYS H H 94 8.548 7.958 0.590 2
1 642 . 1 1 A 56 56 LYS HA H 94 3.980 4.084 -0.104 2
1 649 . 1 1 A 56 56 LYS C C 94 177.600 179.239 -1.639 2
1 650 . 1 1 A 56 56 LYS CA C 94 55.800 59.136 -3.336 2
1 651 . 1 1 A 56 56 LYS CB C 94 29.500 31.983 -2.483 2
1 654 . 1 1 A 56 56 LYS N N 94 115.200 116.931 -1.731 2
1 655 . 1 1 A 57 57 ALA H H 95 8.840 7.962 0.878 2
1 656 . 1 1 A 57 57 ALA HA H 95 3.940 4.106 -0.166 2
1 660 . 1 1 A 57 57 ALA C C 95 175.754 180.037 -4.283 2
1 661 . 1 1 A 57 57 ALA CA C 95 52.670 55.063 -2.393 2
1 662 . 1 1 A 57 57 ALA CB C 95 16.070 17.896 -1.826 2
1 663 . 1 1 A 57 57 ALA N N 95 124.210 122.377 1.833 2
1 664 . 1 1 A 58 58 ALA H H 96 8.816 7.544 1.272 2
1 665 . 1 1 A 58 58 ALA HA H 96 4.043 4.103 -0.060 2
1 669 . 1 1 A 58 58 ALA C C 96 177.600 179.800 -2.200 2
1 670 . 1 1 A 58 58 ALA CA C 96 52.770 54.800 -2.030 2
1 671 . 1 1 A 58 58 ALA CB C 96 13.560 18.331 -4.771 2
1 672 . 1 1 A 58 58 ALA N N 96 120.500 120.135 0.365 2
1 673 . 1 1 A 59 59 GLN H H 97 8.490 8.073 0.417 2
1 674 . 1 1 A 59 59 GLN HA H 97 3.960 4.063 -0.103 2
1 681 . 1 1 A 59 59 GLN C C 97 175.100 178.232 -3.132 2
1 682 . 1 1 A 59 59 GLN CA C 97 56.370 58.444 -2.074 2
1 683 . 1 1 A 59 59 GLN CB C 97 26.500 27.957 -1.457 2
1 684 . 1 1 A 59 59 GLN N N 97 118.750 117.166 1.584 2
1 686 . 1 1 A 60 60 PHE H H 98 8.020 7.932 0.088 2
1 687 . 1 1 A 60 60 PHE HA H 98 4.120 4.241 -0.121 2
1 694 . 1 1 A 60 60 PHE C C 98 174.780 177.306 -2.526 2
1 695 . 1 1 A 60 60 PHE CA C 98 58.650 61.397 -2.747 2
1 696 . 1 1 A 60 60 PHE CB C 98 35.240 39.396 -4.156 2
1 697 . 1 1 A 60 60 PHE N N 98 122.380 121.064 1.316 2
1 698 . 1 1 A 61 61 TYR H H 99 7.900 8.346 -0.446 2
1 699 . 1 1 A 61 61 TYR HA H 99 3.900 4.263 -0.363 2
1 704 . 1 1 A 61 61 TYR C C 99 175.494 177.768 -2.274 2
1 705 . 1 1 A 61 61 TYR CA C 99 60.600 61.379 -0.779 2
1 706 . 1 1 A 61 61 TYR CB C 99 36.120 38.348 -2.228 2
1 707 . 1 1 A 61 61 TYR N N 99 118.100 119.656 -1.556 2
1 708 . 1 1 A 62 62 MET H H 100 8.170 8.232 -0.062 2
1 709 . 1 1 A 62 62 MET HA H 100 3.810 4.194 -0.384 2
1 717 . 1 1 A 62 62 MET C C 100 175.130 178.239 -3.109 2
1 718 . 1 1 A 62 62 MET CA C 100 56.270 58.192 -1.922 2
1 719 . 1 1 A 62 62 MET CB C 100 31.260 32.189 -0.929 2
1 722 . 1 1 A 62 62 MET N N 100 118.350 118.754 -0.404 2
1 723 . 1 1 A 63 63 THR H H 101 7.720 7.826 -0.106 2
1 724 . 1 1 A 63 63 THR HA H 101 4.120 4.090 0.030 2
1 729 . 1 1 A 63 63 THR C C 101 172.265 175.430 -3.165 2
1 730 . 1 1 A 63 63 THR CA C 101 60.060 64.551 -4.491 2
1 731 . 1 1 A 63 63 THR CB C 101 66.880 68.798 -1.918 2
1 733 . 1 1 A 63 63 THR N N 101 110.720 113.275 -2.555 2
1 734 . 1 1 A 64 64 ASN H H 102 7.620 7.996 -0.376 2
1 735 . 1 1 A 64 64 ASN HA H 102 4.541 4.714 -0.173 2
1 740 . 1 1 A 64 64 ASN C C 102 172.591 176.027 -3.436 2
1 741 . 1 1 A 64 64 ASN CA C 102 51.480 53.638 -2.158 2
1 742 . 1 1 A 64 64 ASN CB C 102 36.830 38.267 -1.437 2
1 743 . 1 1 A 64 64 ASN N N 102 114.000 118.046 -4.046 2
1 745 . 1 1 A 65 65 ALA H H 103 8.060 7.993 0.067 2
1 746 . 1 1 A 65 65 ALA HA H 103 4.183 4.293 -0.110 2
1 750 . 1 1 A 65 65 ALA C C 103 176.032 178.273 -2.241 2
1 751 . 1 1 A 65 65 ALA CA C 103 51.130 52.649 -1.519 2
1 752 . 1 1 A 65 65 ALA CB C 103 16.230 19.091 -2.861 2
1 753 . 1 1 A 65 65 ALA N N 103 123.910 122.191 1.719 2
1 754 . 1 1 A 66 66 GLY H H 104 8.220 7.968 0.252 2
1 755 . 1 1 A 66 66 GLY HA2 H 104 3.883 3.967 -0.084 2
1 756 . 1 1 A 66 66 GLY C C 104 172.222 174.886 -2.664 2
1 757 . 1 1 A 66 66 GLY CA C 104 43.170 45.719 -2.549 2
1 758 . 1 1 A 66 66 GLY N N 104 106.420 106.473 -0.053 2
1 759 . 1 1 A 67 67 LEU H H 105 7.890 7.617 0.273 2
1 760 . 1 1 A 67 67 LEU HA H 105 4.290 4.548 -0.258 2
1 770 . 1 1 A 67 67 LEU C C 105 175.406 177.216 -1.810 2
1 771 . 1 1 A 67 67 LEU CA C 105 53.110 55.484 -2.374 2
1 772 . 1 1 A 67 67 LEU CB C 105 39.740 42.978 -3.238 2
1 776 . 1 1 A 67 67 LEU N N 105 120.570 117.531 3.038 2
1 777 . 1 1 A 68 68 THR H H 106 7.940 8.063 -0.123 2
1 778 . 1 1 A 68 68 THR HA H 106 4.330 4.485 -0.155 2
1 783 . 1 1 A 68 68 THR C C 106 172.806 175.402 -2.596 2
1 784 . 1 1 A 68 68 THR CA C 106 59.700 61.922 -2.222 2
1 785 . 1 1 A 68 68 THR CB C 106 67.140 69.066 -1.926 2
1 787 . 1 1 A 68 68 THR N N 106 111.750 113.473 -1.723 2
1 788 . 1 1 A 69 69 GLY H H 107 8.340 8.153 0.187 2
1 789 . 1 1 A 69 69 GLY HA2 H 107 3.940 3.862 0.078 2
1 790 . 1 1 A 69 69 GLY C C 107 171.503 174.327 -2.824 2
1 791 . 1 1 A 69 69 GLY CA C 107 42.990 45.960 -2.970 2
1 792 . 1 1 A 69 69 GLY N N 107 110.910 110.391 0.519 2
1 793 . 1 1 A 70 70 ARG H H 108 7.930 8.016 -0.086 2
1 794 . 1 1 A 70 70 ARG HA H 108 4.355 4.447 -0.092 2
1 801 . 1 1 A 70 70 ARG C C 108 173.543 175.528 -1.984 2
1 802 . 1 1 A 70 70 ARG CA C 108 53.170 56.390 -3.220 2
1 803 . 1 1 A 70 70 ARG CB C 108 28.470 30.975 -2.505 2
1 806 . 1 1 A 70 70 ARG N N 108 119.900 118.984 0.916 2
1 807 . 1 1 A 71 71 SER H H 109 8.400 8.209 0.192 2
1 808 . 1 1 A 71 71 SER HA H 109 4.409 4.568 -0.159 2
1 811 . 1 1 A 71 71 SER C C 109 172.430 173.854 -1.424 2
1 812 . 1 1 A 71 71 SER CA C 109 55.630 58.236 -2.606 2
1 813 . 1 1 A 71 71 SER CB C 109 61.060 63.012 -1.952 2
1 814 . 1 1 A 71 71 SER N N 109 116.970 115.027 1.943 2
1 815 . 1 1 A 72 72 MET H H 110 8.590 8.417 0.173 2
1 816 . 1 1 A 72 72 MET HA H 110 4.394 4.560 -0.166 2
1 822 . 1 1 A 72 72 MET C C 110 173.487 175.434 -1.947 2
1 823 . 1 1 A 72 72 MET CA C 110 53.320 55.337 -2.017 2
1 824 . 1 1 A 72 72 MET CB C 110 29.300 32.420 -3.120 2
1 825 . 1 1 A 72 72 MET N N 110 122.250 120.755 1.495 2
1 826 . 1 1 A 73 73 ASP H H 111 8.260 8.525 -0.265 2
1 827 . 1 1 A 73 73 ASP HA H 111 4.514 4.713 -0.199 2
1 830 . 1 1 A 73 73 ASP C C 111 173.886 175.840 -1.954 2
1 831 . 1 1 A 73 73 ASP CA C 111 52.150 54.899 -2.749 2
1 832 . 1 1 A 73 73 ASP CB C 111 38.310 40.400 -2.090 2
1 833 . 1 1 A 73 73 ASP N N 111 119.420 120.701 -1.281 2
1 834 . 1 1 A 74 74 THR H H 112 7.900 8.127 -0.227 2
1 835 . 1 1 A 74 74 THR HA H 112 4.142 4.320 -0.178 2
1 840 . 1 1 A 74 74 THR C C 112 172.029 173.914 -1.885 2
1 841 . 1 1 A 74 74 THR CA C 112 59.640 62.258 -2.618 2
1 842 . 1 1 A 74 74 THR CB C 112 66.820 68.975 -2.155 2
1 844 . 1 1 A 74 74 THR N N 112 112.950 112.506 0.444 2
1 845 . 1 1 A 75 75 VAL H H 113 7.840 8.172 -0.332 2
1 846 . 1 1 A 75 75 VAL HA H 113 3.950 4.191 -0.241 2
1 854 . 1 1 A 75 75 VAL C C 113 173.067 175.566 -2.499 2
1 855 . 1 1 A 75 75 VAL CA C 113 60.070 62.603 -2.533 2
1 856 . 1 1 A 75 75 VAL CB C 113 29.740 32.744 -3.004 2
1 859 . 1 1 A 75 75 VAL N N 113 121.540 122.697 -1.157 2
1 860 . 1 1 A 76 76 SER H H 114 8.020 8.200 -0.180 2
1 861 . 1 1 A 76 76 SER HA H 114 3.974 4.449 -0.475 2
1 864 . 1 1 A 76 76 SER C C 114 171.259 173.386 -2.127 2
1 865 . 1 1 A 76 76 SER CA C 114 55.100 58.291 -3.191 2
1 866 . 1 1 A 76 76 SER CB C 114 61.160 62.472 -1.312 2
1 867 . 1 1 A 76 76 SER N N 114 117.830 117.171 0.659 2
1 868 . 1 1 A 77 77 TYR H H 115 7.770 8.003 -0.233 2
1 869 . 1 1 A 77 77 TYR HA H 115 4.240 4.462 -0.222 2
1 874 . 1 1 A 77 77 TYR C C 115 172.865 175.276 -2.411 2
1 875 . 1 1 A 77 77 TYR CA C 115 55.100 58.125 -3.025 2
1 876 . 1 1 A 77 77 TYR CB C 115 36.110 38.858 -2.748 2
1 877 . 1 1 A 77 77 TYR N N 115 121.280 120.458 0.822 2
1 878 . 1 1 A 78 78 ASN HA H 116 4.790 4.533 0.257 2
1 883 . 1 1 A 78 78 ASN C C 116 172.080 175.529 -3.449 2
1 884 . 1 1 A 78 78 ASN CA C 116 48.910 52.708 -3.798 2
1 885 . 1 1 A 78 78 ASN CB C 116 35.500 39.415 -3.915 2
1 886 . 1 1 A 78 78 ASN N N 116 112.900 119.371 -6.471 2
1 887 . 1 1 A 79 79 PHE H H 117 7.410 7.579 -0.169 2
1 888 . 1 1 A 79 79 PHE HA H 117 4.440 4.138 0.302 2
1 895 . 1 1 A 79 79 PHE C C 117 174.370 177.071 -2.701 2
1 896 . 1 1 A 79 79 PHE CA C 117 56.890 60.193 -3.303 2
1 897 . 1 1 A 79 79 PHE CB C 117 34.540 38.147 -3.607 2
1 898 . 1 1 A 79 79 PHE N N 117 121.190 120.150 1.039 2
1 899 . 1 1 A 80 80 ALA H H 118 8.560 7.509 1.051 2
1 900 . 1 1 A 80 80 ALA HA H 118 4.140 3.642 0.498 2
1 904 . 1 1 A 80 80 ALA C C 118 176.482 177.777 -1.295 2
1 905 . 1 1 A 80 80 ALA CA C 118 52.430 53.485 -1.055 2
1 906 . 1 1 A 80 80 ALA CB C 118 16.160 18.439 -2.279 2
1 907 . 1 1 A 80 80 ALA N N 118 115.100 121.277 -6.177 2
1 908 . 1 1 A 81 81 THR H H 119 7.330 7.812 -0.482 2
1 909 . 1 1 A 81 81 THR HA H 119 4.450 4.509 -0.059 2
1 914 . 1 1 A 81 81 THR C C 119 172.909 174.129 -1.220 2
1 915 . 1 1 A 81 81 THR CA C 119 59.270 61.942 -2.672 2
1 916 . 1 1 A 81 81 THR CB C 119 66.770 70.334 -3.564 2
1 918 . 1 1 A 81 81 THR N N 119 104.710 110.664 -5.954 2
1 919 . 1 1 A 82 82 GLU H H 120 7.890 7.921 -0.031 2
1 920 . 1 1 A 82 82 GLU HA H 120 4.260 4.495 -0.235 2
1 924 . 1 1 A 82 82 GLU C C 120 177.060 175.159 1.901 2
1 925 . 1 1 A 82 82 GLU CA C 120 54.740 55.740 -1.000 2
1 926 . 1 1 A 82 82 GLU N N 120 120.760 119.434 1.326 2
1 927 . 1 1 A 83 83 ILE H H 121 7.630 7.736 -0.106 2
1 928 . 1 1 A 83 83 ILE HA H 121 3.330 3.700 -0.370 2
1 938 . 1 1 A 83 83 ILE CA C 121 57.580 59.986 -2.406 2
1 939 . 1 1 A 83 83 ILE CB C 121 35.770 38.071 -2.301 2
1 943 . 1 1 A 83 83 ILE N N 121 118.900 119.098 -0.198 2
1 944 . 1 1 A 84 84 PRO HA H 122 4.200 4.476 -0.276 2
1 951 . 1 1 A 84 84 PRO CA C 122 60.510 62.529 -2.019 2
1 952 . 1 1 A 84 84 PRO CB C 122 27.260 31.662 -4.402 2
1 955 . 1 1 A 86 86 THR HA H 124 3.869 4.003 -0.134 2
1 960 . 1 1 A 86 86 THR C C 124 172.991 176.549 -3.558 2
1 961 . 1 1 A 86 86 THR CA C 124 61.980 66.145 -4.165 2
1 962 . 1 1 A 86 86 THR CB C 124 65.710 68.745 -3.035 2
1 964 . 1 1 A 87 87 ILE H H 125 7.340 7.772 -0.432 2
1 965 . 1 1 A 87 87 ILE HA H 125 3.920 3.794 0.126 2
1 975 . 1 1 A 87 87 ILE C C 125 175.375 178.129 -2.754 2
1 976 . 1 1 A 87 87 ILE CA C 125 61.900 64.378 -2.478 2
1 977 . 1 1 A 87 87 ILE CB C 125 35.690 37.161 -1.472 2
1 981 . 1 1 A 87 87 ILE N N 125 120.800 120.231 0.569 2
1 982 . 1 1 A 88 88 LEU HA H 126 4.070 3.864 0.206 2
1 992 . 1 1 A 88 88 LEU C C 126 177.060 178.622 -1.562 2
1 993 . 1 1 A 88 88 LEU CA C 126 55.950 57.684 -1.734 2
1 994 . 1 1 A 88 88 LEU CB C 126 39.710 41.584 -1.874 2
1 998 . 1 1 A 89 89 LYS H H 127 8.095 7.888 0.207 2
1 999 . 1 1 A 89 89 LYS HA H 127 4.030 3.953 0.077 2
1 1008 . 1 1 A 89 89 LYS C C 127 176.400 178.762 -2.362 2
1 1009 . 1 1 A 89 89 LYS CA C 127 56.010 59.108 -3.098 2
1 1010 . 1 1 A 89 89 LYS CB C 127 29.650 31.966 -2.316 2
1 1014 . 1 1 A 89 89 LYS N N 127 116.100 119.571 -3.471 2
1 1015 . 1 1 A 90 90 LYS H H 128 7.848 7.883 -0.035 2
1 1016 . 1 1 A 90 90 LYS HA H 128 4.160 4.059 0.101 2
1 1019 . 1 1 A 90 90 LYS C C 128 174.859 178.895 -4.036 2
1 1020 . 1 1 A 90 90 LYS CA C 128 54.750 58.023 -3.273 2
1 1021 . 1 1 A 90 90 LYS CB C 128 29.280 32.282 -3.002 2
1 1022 . 1 1 A 90 90 LYS N N 128 119.230 118.766 0.465 2
1 1023 . 1 1 A 91 91 LEU H H 129 7.640 7.055 0.585 2
1 1024 . 1 1 A 91 91 LEU HA H 129 4.250 3.233 1.017 2
1 1034 . 1 1 A 91 91 LEU CA C 129 52.280 57.223 -4.943 2
1 1035 . 1 1 A 91 91 LEU CB C 129 39.000 41.040 -2.040 2
1 1039 . 1 1 A 91 91 LEU N N 129 112.650 121.127 -8.477 2
1 1040 . 1 1 A 92 92 ASN H H 130 7.560 7.627 -0.067 2
1 1041 . 1 1 A 92 92 ASN HA H 130 4.300 4.128 0.172 2
1 1046 . 1 1 A 92 92 ASN C C 130 172.034 175.782 -3.748 2
1 1047 . 1 1 A 92 92 ASN CA C 130 55.070 56.611 -1.541 2
1 1048 . 1 1 A 92 92 ASN CB C 130 32.670 38.028 -5.358 2
1 1049 . 1 1 A 92 92 ASN N N 130 111.100 116.442 -5.343 2
1 1051 . 1 1 A 93 93 PRO HA H 131 4.220 4.346 -0.126 2
1 1058 . 1 1 A 93 93 PRO C C 131 173.540 177.823 -4.283 2
1 1059 . 1 1 A 93 93 PRO CA C 131 62.300 64.886 -2.586 2
1 1060 . 1 1 A 93 93 PRO CB C 131 28.140 31.586 -3.446 2
1 1062 . 1 1 A 94 94 TYR H H 132 7.630 7.897 -0.267 2
1 1063 . 1 1 A 94 94 TYR HA H 132 4.630 4.414 0.216 2
1 1068 . 1 1 A 94 94 TYR C C 132 172.700 176.027 -3.327 2
1 1069 . 1 1 A 94 94 TYR CA C 132 54.130 59.127 -4.997 2
1 1070 . 1 1 A 94 94 TYR CB C 132 36.500 38.866 -2.366 2
1 1071 . 1 1 A 94 94 TYR N N 132 114.100 117.286 -3.186 2
1 1072 . 1 1 A 95 95 ARG H H 133 7.250 8.115 -0.865 2
1 1073 . 1 1 A 95 95 ARG HA H 133 4.290 4.223 0.068 2
1 1081 . 1 1 A 95 95 ARG C C 133 173.763 176.502 -2.739 2
1 1082 . 1 1 A 95 95 ARG CA C 133 54.740 57.151 -2.411 2
1 1083 . 1 1 A 95 95 ARG CB C 133 27.880 30.607 -2.727 2
1 1086 . 1 1 A 95 95 ARG N N 133 119.390 120.709 -1.319 2
1 1088 . 1 1 A 96 96 LYS H H 134 8.658 8.011 0.647 2
1 1089 . 1 1 A 96 96 LYS HA H 134 4.490 4.127 0.363 2
1 1098 . 1 1 A 96 96 LYS C C 134 173.560 177.102 -3.542 2
1 1099 . 1 1 A 96 96 LYS CA C 134 52.580 57.230 -4.650 2
1 1100 . 1 1 A 96 96 LYS CB C 134 30.590 31.839 -1.249 2
1 1104 . 1 1 A 96 96 LYS N N 134 125.000 119.788 5.212 2
1 1105 . 1 1 A 97 97 MET H H 135 8.330 8.144 0.186 2
1 1106 . 1 1 A 97 97 MET HA H 135 4.420 4.404 0.016 2
1 1114 . 1 1 A 97 97 MET C C 135 172.970 176.074 -3.104 2
1 1115 . 1 1 A 97 97 MET CA C 135 52.490 56.836 -4.346 2
1 1116 . 1 1 A 97 97 MET CB C 135 30.530 32.142 -1.612 2
1 1118 . 1 1 A 97 97 MET N N 135 120.890 118.208 2.682 2
1 1119 . 1 1 A 98 98 ALA H H 136 8.290 8.009 0.281 2
1 1120 . 1 1 A 98 98 ALA HA H 136 4.180 4.352 -0.172 2
1 1124 . 1 1 A 98 98 ALA C C 136 173.767 176.494 -2.727 2
1 1125 . 1 1 A 98 98 ALA CA C 136 49.750 52.557 -2.807 2
1 1126 . 1 1 A 98 98 ALA CB C 136 16.350 19.119 -2.769 2
1 1127 . 1 1 A 98 98 ALA N N 136 126.050 120.757 5.293 2
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