data_16180_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16180
_Entry.PDB_ID 2KFG
_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 10
_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 7 7 ASP H H 41 8.479 8.402 0.077 1
1 2 . 1 1 1 A 7 7 ASP HA H 41 4.650 5.341 -0.691 1
1 5 . 1 1 1 A 7 7 ASP CA C 41 53.120 52.805 0.315 1
1 6 . 1 1 1 A 7 7 ASP CB C 41 39.840 43.794 -3.954 1
1 7 . 1 1 1 A 7 7 ASP N N 41 124.447 126.128 -1.681 1
1 8 . 1 1 1 A 8 8 VAL H H 42 7.916 9.194 -1.278 1
1 9 . 1 1 1 A 8 8 VAL HA H 42 4.150 4.578 -0.428 1
1 17 . 1 1 1 A 8 8 VAL CA C 42 60.500 61.458 -0.958 1
1 18 . 1 1 1 A 8 8 VAL CB C 42 31.540 33.883 -2.343 1
1 21 . 1 1 1 A 8 8 VAL N N 42 120.853 124.212 -3.359 1
1 22 . 1 1 1 A 9 9 GLU H H 43 8.476 8.846 -0.370 1
1 23 . 1 1 1 A 9 9 GLU HA H 43 4.300 4.693 -0.393 1
1 28 . 1 1 1 A 9 9 GLU CA C 43 55.400 56.452 -1.052 1
1 29 . 1 1 1 A 9 9 GLU CB C 43 29.120 30.277 -1.157 1
1 31 . 1 1 1 A 9 9 GLU N N 43 127.650 127.713 -0.063 1
1 32 . 1 1 1 A 10 10 TRP H H 44 8.839 8.963 -0.124 1
1 33 . 1 1 1 A 10 10 TRP HA H 44 5.240 4.818 0.422 1
1 42 . 1 1 1 A 10 10 TRP CA C 44 54.290 56.785 -2.495 1
1 43 . 1 1 1 A 10 10 TRP CB C 44 27.330 30.153 -2.823 1
1 49 . 1 1 1 A 10 10 TRP N N 44 126.406 127.921 -1.515 1
1 50 . 1 1 1 A 11 11 VAL H H 45 9.230 8.096 1.134 1
1 51 . 1 1 1 A 11 11 VAL HA H 45 3.900 3.492 0.408 1
1 59 . 1 1 1 A 11 11 VAL CA C 45 63.500 66.591 -3.091 1
1 60 . 1 1 1 A 11 11 VAL CB C 45 30.420 31.546 -1.126 1
1 63 . 1 1 1 A 11 11 VAL N N 45 131.353 126.196 5.157 1
1 64 . 1 1 1 A 12 12 VAL H H 46 5.020 6.724 -1.704 1
1 65 . 1 1 1 A 12 12 VAL HA H 46 3.050 3.470 -0.420 1
1 73 . 1 1 1 A 12 12 VAL CA C 46 60.540 64.289 -3.749 1
1 74 . 1 1 1 A 12 12 VAL CB C 46 29.280 30.053 -0.773 1
1 77 . 1 1 1 A 13 13 GLY H H 47 7.330 7.833 -0.503 1
1 78 . 1 1 1 A 13 13 GLY HA2 H 47 3.600 3.810 -0.210 1
1 79 . 1 1 1 A 13 13 GLY HA3 H 47 4.194 3.955 0.239 1
1 80 . 1 1 1 A 13 13 GLY CA C 47 46.400 46.103 0.297 1
1 81 . 1 1 1 A 14 14 LYS H H 48 7.581 7.385 0.196 1
1 82 . 1 1 1 A 14 14 LYS HA H 48 4.077 4.119 -0.042 1
1 91 . 1 1 1 A 14 14 LYS CA C 48 57.420 58.467 -1.047 1
1 92 . 1 1 1 A 14 14 LYS CB C 48 30.490 32.871 -2.381 1
1 96 . 1 1 1 A 14 14 LYS N N 48 121.084 120.027 1.057 1
1 97 . 1 1 1 A 15 15 ASP H H 49 7.309 7.838 -0.529 1
1 98 . 1 1 1 A 15 15 ASP HA H 49 4.770 4.763 0.007 1
1 101 . 1 1 1 A 15 15 ASP CA C 49 52.880 52.251 0.629 1
1 102 . 1 1 1 A 15 15 ASP CB C 49 41.910 40.415 1.495 1
1 103 . 1 1 1 A 15 15 ASP N N 49 118.181 116.082 2.099 1
1 104 . 1 1 1 A 16 16 LYS H H 50 7.506 7.585 -0.079 1
1 105 . 1 1 1 A 16 16 LYS HA H 50 4.068 3.883 0.185 1
1 114 . 1 1 1 A 16 16 LYS CA C 50 60.180 61.104 -0.924 1
1 115 . 1 1 1 A 16 16 LYS CB C 50 30.193 31.464 -1.271 1
1 119 . 1 1 1 A 16 16 LYS N N 50 123.633 120.111 3.522 1
1 120 . 1 1 1 A 17 17 PRO HA H 51 4.440 4.375 0.065 1
1 127 . 1 1 1 A 17 17 PRO CA C 51 65.660 65.377 0.283 1
1 128 . 1 1 1 A 17 17 PRO CB C 51 29.600 31.103 -1.503 1
1 131 . 1 1 1 A 18 18 THR H H 52 7.280 7.493 -0.213 1
1 132 . 1 1 1 A 18 18 THR HA H 52 3.980 4.037 -0.057 1
1 137 . 1 1 1 A 18 18 THR CA C 52 64.440 65.186 -0.746 1
1 138 . 1 1 1 A 18 18 THR CB C 52 67.210 68.144 -0.934 1
1 140 . 1 1 1 A 18 18 THR N N 52 115.095 111.316 3.779 1
1 141 . 1 1 1 A 19 19 TYR H H 53 7.083 7.531 -0.448 1
1 142 . 1 1 1 A 19 19 TYR HA H 53 4.728 4.423 0.305 1
1 149 . 1 1 1 A 19 19 TYR CA C 53 57.110 62.090 -4.980 1
1 150 . 1 1 1 A 19 19 TYR CB C 53 35.170 37.125 -1.955 1
1 155 . 1 1 1 A 19 19 TYR N N 53 125.380 119.733 5.647 1
1 156 . 1 1 1 A 20 20 ASP H H 54 9.588 8.619 0.969 1
1 157 . 1 1 1 A 20 20 ASP HA H 54 4.520 4.354 0.166 1
1 160 . 1 1 1 A 20 20 ASP CA C 54 55.515 57.702 -2.187 1
1 161 . 1 1 1 A 20 20 ASP CB C 54 38.740 41.397 -2.657 1
1 162 . 1 1 1 A 20 20 ASP N N 54 124.548 121.969 2.579 1
1 163 . 1 1 1 A 21 21 GLU H H 55 7.309 8.211 -0.902 1
1 164 . 1 1 1 A 21 21 GLU HA H 55 4.140 4.228 -0.088 1
1 169 . 1 1 1 A 21 21 GLU CA C 55 58.100 59.301 -1.201 1
1 170 . 1 1 1 A 21 21 GLU CB C 55 28.400 29.728 -1.328 1
1 172 . 1 1 1 A 21 21 GLU N N 55 118.181 119.240 -1.059 1
1 173 . 1 1 1 A 22 22 ILE H H 56 7.249 7.864 -0.615 1
1 174 . 1 1 1 A 22 22 ILE HA H 56 3.946 4.179 -0.233 1
1 184 . 1 1 1 A 22 22 ILE CA C 56 62.400 65.208 -2.808 1
1 185 . 1 1 1 A 22 22 ILE CB C 56 37.597 37.922 -0.325 1
1 189 . 1 1 1 A 22 22 ILE N N 56 118.978 120.794 -1.816 1
1 190 . 1 1 1 A 23 23 PHE H H 57 9.117 8.695 0.422 1
1 191 . 1 1 1 A 23 23 PHE HA H 57 3.100 3.672 -0.572 1
1 199 . 1 1 1 A 23 23 PHE CA C 57 61.330 61.451 -0.121 1
1 200 . 1 1 1 A 23 23 PHE CB C 57 38.250 38.743 -0.493 1
1 206 . 1 1 1 A 23 23 PHE N N 57 127.639 121.338 6.301 1
1 207 . 1 1 1 A 24 24 TYR H H 58 7.903 8.118 -0.215 1
1 208 . 1 1 1 A 24 24 TYR HA H 58 4.000 4.466 -0.466 1
1 215 . 1 1 1 A 24 24 TYR CA C 58 60.480 61.078 -0.598 1
1 216 . 1 1 1 A 24 24 TYR CB C 58 36.086 38.589 -2.503 1
1 221 . 1 1 1 A 24 24 TYR N N 58 112.757 116.018 -3.261 1
1 222 . 1 1 1 A 25 25 THR H H 59 8.081 7.474 0.607 1
1 223 . 1 1 1 A 25 25 THR HA H 59 4.650 4.380 0.270 1
1 229 . 1 1 1 A 25 25 THR CA C 59 61.770 63.061 -1.291 1
1 230 . 1 1 1 A 25 25 THR CB C 59 68.700 69.198 -0.498 1
1 232 . 1 1 1 A 25 25 THR N N 59 112.676 112.863 -0.187 1
1 233 . 1 1 1 A 26 26 LEU H H 60 7.373 7.040 0.333 1
1 234 . 1 1 1 A 26 26 LEU HA H 60 4.470 4.347 0.123 1
1 244 . 1 1 1 A 26 26 LEU CA C 60 52.330 54.158 -1.828 1
1 245 . 1 1 1 A 26 26 LEU CB C 60 38.700 42.288 -3.588 1
1 249 . 1 1 1 A 26 26 LEU N N 60 125.808 120.916 4.892 1
1 250 . 1 1 1 A 27 27 SER H H 61 7.860 7.940 -0.080 1
1 251 . 1 1 1 A 27 27 SER HA H 61 3.990 4.251 -0.261 1
1 254 . 1 1 1 A 27 27 SER CA C 61 56.300 58.550 -2.250 1
1 255 . 1 1 1 A 27 27 SER CB C 61 60.230 61.758 -1.528 1
1 256 . 1 1 1 A 27 27 SER N N 61 111.582 113.115 -1.533 1
1 257 . 1 1 1 A 28 28 PRO HA H 62 4.210 4.364 -0.154 1
1 264 . 1 1 1 A 28 28 PRO CA C 62 61.600 62.239 -0.639 1
1 265 . 1 1 1 A 28 28 PRO CB C 62 29.890 32.635 -2.745 1
1 268 . 1 1 1 A 29 29 VAL H H 63 8.750 8.714 0.036 1
1 269 . 1 1 1 A 29 29 VAL HA H 63 4.180 4.498 -0.318 1
1 277 . 1 1 1 A 29 29 VAL CA C 63 60.660 61.191 -0.531 1
1 278 . 1 1 1 A 29 29 VAL CB C 63 32.878 32.682 0.196 1
1 281 . 1 1 1 A 29 29 VAL N N 63 124.299 120.831 3.468 1
1 282 . 1 1 1 A 30 30 ASN H H 64 9.713 9.591 0.122 1
1 283 . 1 1 1 A 30 30 ASN HA H 64 4.420 4.496 -0.076 1
1 288 . 1 1 1 A 30 30 ASN CA C 64 52.940 54.508 -1.568 1
1 289 . 1 1 1 A 30 30 ASN CB C 64 36.300 36.910 -0.610 1
1 290 . 1 1 1 A 30 30 ASN N N 64 129.729 127.643 2.086 1
1 292 . 1 1 1 A 31 31 GLY H H 65 8.862 8.668 0.194 1
1 293 . 1 1 1 A 31 31 GLY HA2 H 65 3.760 3.968 -0.208 1
1 294 . 1 1 1 A 31 31 GLY HA3 H 65 4.260 4.088 0.172 1
1 295 . 1 1 1 A 31 31 GLY CA C 65 44.260 45.655 -1.395 1
1 296 . 1 1 1 A 31 31 GLY N N 65 130.591 104.842 25.749 1
1 297 . 1 1 1 A 32 32 LYS H H 66 7.501 7.724 -0.223 1
1 298 . 1 1 1 A 32 32 LYS HA H 66 5.420 5.145 0.275 1
1 307 . 1 1 1 A 32 32 LYS CA C 66 53.900 55.083 -1.183 1
1 308 . 1 1 1 A 32 32 LYS CB C 66 36.200 35.581 0.619 1
1 312 . 1 1 1 A 32 32 LYS N N 66 118.738 120.899 -2.161 1
1 313 . 1 1 1 A 33 33 ILE H H 67 9.230 8.501 0.729 1
1 314 . 1 1 1 A 33 33 ILE HA H 67 5.030 4.492 0.538 1
1 324 . 1 1 1 A 33 33 ILE CA C 67 57.470 60.023 -2.553 1
1 325 . 1 1 1 A 33 33 ILE CB C 67 39.880 38.788 1.092 1
1 329 . 1 1 1 A 33 33 ILE N N 67 118.166 121.511 -3.345 1
1 330 . 1 1 1 A 34 34 THR H H 68 8.242 8.460 -0.218 1
1 331 . 1 1 1 A 34 34 THR HA H 68 4.560 4.745 -0.185 1
1 337 . 1 1 1 A 34 34 THR CA C 68 58.970 60.418 -1.448 1
1 338 . 1 1 1 A 34 34 THR CB C 68 69.910 71.710 -1.800 1
1 340 . 1 1 1 A 34 34 THR N N 68 111.971 113.826 -1.855 1
1 341 . 1 1 1 A 35 35 GLY H H 69 8.987 8.911 0.076 1
1 342 . 1 1 1 A 35 35 GLY HA2 H 69 3.530 3.770 -0.240 1
1 343 . 1 1 1 A 35 35 GLY HA3 H 69 3.830 4.072 -0.242 1
1 344 . 1 1 1 A 35 35 GLY CA C 69 46.900 46.721 0.179 1
1 345 . 1 1 1 A 35 35 GLY N N 69 110.332 109.381 0.951 1
1 346 . 1 1 1 A 36 36 ALA H H 70 8.289 7.951 0.338 1
1 347 . 1 1 1 A 36 36 ALA HA H 70 3.890 3.972 -0.082 1
1 351 . 1 1 1 A 36 36 ALA CA C 70 53.830 54.753 -0.923 1
1 352 . 1 1 1 A 36 36 ALA CB C 70 16.900 18.841 -1.941 1
1 353 . 1 1 1 A 36 36 ALA N N 70 123.588 124.490 -0.902 1
1 354 . 1 1 1 A 37 37 ASN H H 71 7.550 8.284 -0.734 1
1 355 . 1 1 1 A 37 37 ASN HA H 71 4.690 4.462 0.228 1
1 360 . 1 1 1 A 37 37 ASN CA C 71 54.000 55.863 -1.863 1
1 361 . 1 1 1 A 37 37 ASN CB C 71 36.300 37.948 -1.648 1
1 362 . 1 1 1 A 37 37 ASN N N 71 118.594 116.993 1.601 1
1 364 . 1 1 1 A 38 38 ALA H H 72 8.825 8.060 0.765 1
1 365 . 1 1 1 A 38 38 ALA HA H 72 4.110 4.168 -0.058 1
1 369 . 1 1 1 A 38 38 ALA CA C 72 54.340 55.777 -1.437 1
1 370 . 1 1 1 A 38 38 ALA CB C 72 17.970 18.597 -0.627 1
1 371 . 1 1 1 A 38 38 ALA N N 72 123.885 122.808 1.077 1
1 372 . 1 1 1 A 39 39 LYS H H 73 8.798 7.794 1.004 1
1 373 . 1 1 1 A 39 39 LYS HA H 73 3.940 4.052 -0.112 1
1 382 . 1 1 1 A 39 39 LYS CA C 73 59.000 59.335 -0.335 1
1 383 . 1 1 1 A 39 39 LYS CB C 73 30.880 31.978 -1.098 1
1 387 . 1 1 1 A 39 39 LYS N N 73 120.109 118.603 1.506 1
1 388 . 1 1 1 A 40 40 LYS H H 74 7.295 7.813 -0.518 1
1 389 . 1 1 1 A 40 40 LYS HA H 74 3.990 3.983 0.007 1
1 398 . 1 1 1 A 40 40 LYS CA C 74 58.240 60.115 -1.875 1
1 399 . 1 1 1 A 40 40 LYS CB C 74 30.900 32.189 -1.289 1
1 403 . 1 1 1 A 40 40 LYS N N 74 118.573 118.672 -0.099 1
1 404 . 1 1 1 A 41 41 GLU H H 75 7.111 8.021 -0.910 1
1 405 . 1 1 1 A 41 41 GLU HA H 75 4.450 4.101 0.349 1
1 410 . 1 1 1 A 41 41 GLU CA C 75 56.260 59.524 -3.264 1
1 411 . 1 1 1 A 41 41 GLU CB C 75 28.900 29.250 -0.350 1
1 413 . 1 1 1 A 41 41 GLU N N 75 117.503 119.877 -2.374 1
1 414 . 1 1 1 A 42 42 MET H H 76 8.672 8.494 0.178 1
1 415 . 1 1 1 A 42 42 MET HA H 76 4.020 4.345 -0.325 1
1 423 . 1 1 1 A 42 42 MET CA C 76 58.980 58.697 0.283 1
1 424 . 1 1 1 A 42 42 MET CB C 76 33.270 31.719 1.551 1
1 427 . 1 1 1 A 42 42 MET N N 76 121.435 118.753 2.682 1
1 428 . 1 1 1 A 43 43 VAL H H 77 8.703 7.832 0.871 1
1 429 . 1 1 1 A 43 43 VAL HA H 77 4.070 3.928 0.142 1
1 437 . 1 1 1 A 43 43 VAL CA C 77 63.490 65.292 -1.802 1
1 438 . 1 1 1 A 43 43 VAL CB C 77 30.570 31.409 -0.839 1
1 441 . 1 1 1 A 43 43 VAL N N 77 117.135 115.046 2.089 1
1 442 . 1 1 1 A 44 44 LYS H H 78 7.475 7.935 -0.460 1
1 443 . 1 1 1 A 44 44 LYS HA H 78 4.130 4.265 -0.135 1
1 452 . 1 1 1 A 44 44 LYS CA C 78 57.760 58.764 -1.004 1
1 453 . 1 1 1 A 44 44 LYS CB C 78 30.990 32.431 -1.441 1
1 457 . 1 1 1 A 44 44 LYS N N 78 124.308 121.842 2.466 1
1 458 . 1 1 1 A 45 45 SER H H 79 7.534 7.523 0.011 1
1 459 . 1 1 1 A 45 45 SER HA H 79 4.080 4.473 -0.393 1
1 462 . 1 1 1 A 45 45 SER CA C 79 59.440 58.807 0.633 1
1 463 . 1 1 1 A 45 45 SER CB C 79 64.580 63.310 1.270 1
1 464 . 1 1 1 A 45 45 SER N N 79 114.575 113.280 1.295 1
1 465 . 1 1 1 A 46 46 LYS H H 80 7.822 7.760 0.062 1
1 466 . 1 1 1 A 46 46 LYS HA H 80 3.940 3.853 0.087 1
1 475 . 1 1 1 A 46 46 LYS CA C 80 57.020 57.412 -0.392 1
1 476 . 1 1 1 A 46 46 LYS CB C 80 27.840 28.902 -1.062 1
1 480 . 1 1 1 A 46 46 LYS N N 80 114.855 118.019 -3.164 1
1 481 . 1 1 1 A 47 47 LEU H H 81 7.486 7.828 -0.342 1
1 482 . 1 1 1 A 47 47 LEU HA H 81 4.490 4.815 -0.325 1
1 492 . 1 1 1 A 47 47 LEU CA C 81 52.000 52.077 -0.077 1
1 493 . 1 1 1 A 47 47 LEU CB C 81 40.400 42.492 -2.092 1
1 497 . 1 1 1 A 47 47 LEU N N 81 122.848 119.456 3.392 1
1 498 . 1 1 1 A 48 48 PRO HA H 82 4.520 4.566 -0.046 1
1 505 . 1 1 1 A 48 48 PRO CA C 82 60.910 62.754 -1.844 1
1 506 . 1 1 1 A 48 48 PRO CB C 82 31.550 32.737 -1.187 1
1 509 . 1 1 1 A 49 49 ASN H H 83 7.580 8.724 -1.144 1
1 510 . 1 1 1 A 49 49 ASN HA H 83 4.270 4.415 -0.145 1
1 515 . 1 1 1 A 49 49 ASN CA C 83 56.000 55.710 0.290 1
1 516 . 1 1 1 A 49 49 ASN CB C 83 36.900 38.050 -1.150 1
1 518 . 1 1 1 A 50 50 THR H H 84 7.260 8.038 -0.778 1
1 519 . 1 1 1 A 50 50 THR HA H 84 4.020 3.969 0.051 1
1 524 . 1 1 1 A 50 50 THR CA C 84 63.474 67.111 -3.637 1
1 525 . 1 1 1 A 50 50 THR CB C 84 66.850 68.630 -1.780 1
1 527 . 1 1 1 A 51 51 VAL H H 85 6.887 8.184 -1.297 1
1 528 . 1 1 1 A 51 51 VAL HA H 85 3.660 3.950 -0.290 1
1 536 . 1 1 1 A 51 51 VAL CA C 85 64.300 67.593 -3.293 1
1 537 . 1 1 1 A 51 51 VAL CB C 85 30.500 31.389 -0.889 1
1 540 . 1 1 1 A 51 51 VAL N N 85 125.031 122.220 2.811 1
1 541 . 1 1 1 A 52 52 LEU H H 86 8.006 8.291 -0.285 1
1 542 . 1 1 1 A 52 52 LEU HA H 86 3.710 4.051 -0.341 1
1 552 . 1 1 1 A 52 52 LEU CA C 86 56.600 58.282 -1.682 1
1 553 . 1 1 1 A 52 52 LEU CB C 86 38.940 41.658 -2.718 1
1 557 . 1 1 1 A 52 52 LEU N N 86 121.391 119.320 2.071 1
1 558 . 1 1 1 A 53 53 GLY H H 87 8.438 8.686 -0.248 1
1 559 . 1 1 1 A 53 53 GLY HA2 H 87 3.850 3.830 0.020 1
1 560 . 1 1 1 A 53 53 GLY HA3 H 87 3.990 3.857 0.133 1
1 561 . 1 1 1 A 53 53 GLY CA C 87 46.200 47.124 -0.924 1
1 562 . 1 1 1 A 53 53 GLY N N 87 108.191 106.628 1.563 1
1 563 . 1 1 1 A 54 54 LYS H H 88 7.300 8.153 -0.853 1
1 564 . 1 1 1 A 54 54 LYS HA H 88 4.130 4.086 0.044 1
1 573 . 1 1 1 A 54 54 LYS CA C 88 57.890 59.098 -1.208 1
1 574 . 1 1 1 A 54 54 LYS CB C 88 31.000 31.757 -0.757 1
1 578 . 1 1 1 A 54 54 LYS N N 88 125.192 121.163 4.029 1
1 579 . 1 1 1 A 55 55 ILE H H 89 8.055 8.093 -0.038 1
1 580 . 1 1 1 A 55 55 ILE HA H 89 3.476 3.618 -0.142 1
1 590 . 1 1 1 A 55 55 ILE CA C 89 65.360 65.819 -0.459 1
1 591 . 1 1 1 A 55 55 ILE CB C 89 36.300 38.040 -1.740 1
1 595 . 1 1 1 A 55 55 ILE N N 89 122.309 120.459 1.850 1
1 596 . 1 1 1 A 56 56 TRP H H 90 8.749 8.560 0.189 1
1 597 . 1 1 1 A 56 56 TRP HA H 90 3.880 4.150 -0.270 1
1 606 . 1 1 1 A 56 56 TRP CA C 90 60.260 60.723 -0.463 1
1 607 . 1 1 1 A 56 56 TRP CB C 90 27.660 29.783 -2.123 1
1 613 . 1 1 1 A 56 56 TRP N N 90 122.116 121.452 0.664 1
1 615 . 1 1 1 A 57 57 LYS H H 91 7.581 8.378 -0.797 1
1 616 . 1 1 1 A 57 57 LYS HA H 91 3.910 4.230 -0.320 1
1 625 . 1 1 1 A 57 57 LYS CA C 91 57.790 58.600 -0.810 1
1 626 . 1 1 1 A 57 57 LYS CB C 91 31.300 32.312 -1.012 1
1 630 . 1 1 1 A 57 57 LYS N N 91 116.341 117.850 -1.509 1
1 631 . 1 1 1 A 58 58 LEU H H 92 7.580 7.471 0.109 1
1 632 . 1 1 1 A 58 58 LEU HA H 92 4.000 4.216 -0.216 1
1 642 . 1 1 1 A 58 58 LEU CA C 92 55.780 56.799 -1.019 1
1 643 . 1 1 1 A 58 58 LEU CB C 92 42.570 42.155 0.415 1
1 647 . 1 1 1 A 58 58 LEU N N 92 119.793 118.723 1.070 1
1 648 . 1 1 1 A 59 59 ALA H H 93 8.157 7.651 0.506 1
1 649 . 1 1 1 A 59 59 ALA HA H 93 4.130 4.256 -0.126 1
1 653 . 1 1 1 A 59 59 ALA CA C 93 52.400 52.258 0.142 1
1 654 . 1 1 1 A 59 59 ALA CB C 93 17.560 19.904 -2.344 1
1 655 . 1 1 1 A 59 59 ALA N N 93 120.126 119.667 0.459 1
1 656 . 1 1 1 A 60 60 ASP H H 94 7.499 7.723 -0.224 1
1 657 . 1 1 1 A 60 60 ASP HA H 94 4.550 4.255 0.295 1
1 660 . 1 1 1 A 60 60 ASP CA C 94 50.380 53.601 -3.221 1
1 661 . 1 1 1 A 60 60 ASP CB C 94 35.220 40.190 -4.970 1
1 662 . 1 1 1 A 60 60 ASP N N 94 115.431 119.385 -3.954 1
1 663 . 1 1 1 A 61 61 VAL H H 95 8.352 7.882 0.470 1
1 664 . 1 1 1 A 61 61 VAL HA H 95 3.510 3.558 -0.048 1
1 672 . 1 1 1 A 61 61 VAL CA C 95 64.360 66.374 -2.014 1
1 673 . 1 1 1 A 61 61 VAL CB C 95 31.330 31.951 -0.621 1
1 676 . 1 1 1 A 61 61 VAL N N 95 129.573 124.416 5.157 1
1 677 . 1 1 1 A 62 62 ASP H H 96 7.927 8.495 -0.568 1
1 678 . 1 1 1 A 62 62 ASP HA H 96 4.540 4.515 0.025 1
1 681 . 1 1 1 A 62 62 ASP CA C 96 51.630 55.300 -3.670 1
1 682 . 1 1 1 A 62 62 ASP CB C 96 38.300 41.055 -2.755 1
1 683 . 1 1 1 A 62 62 ASP N N 96 115.789 118.729 -2.940 1
1 684 . 1 1 1 A 63 63 LYS H H 97 7.551 7.529 0.022 1
1 685 . 1 1 1 A 63 63 LYS HA H 97 3.880 4.187 -0.307 1
1 694 . 1 1 1 A 63 63 LYS CA C 97 56.450 57.347 -0.897 1
1 695 . 1 1 1 A 63 63 LYS CB C 97 28.000 29.147 -1.147 1
1 699 . 1 1 1 A 63 63 LYS N N 97 115.740 115.370 0.370 1
1 700 . 1 1 1 A 64 64 ASP H H 98 8.363 8.178 0.185 1
1 701 . 1 1 1 A 64 64 ASP HA H 98 4.660 4.771 -0.111 1
1 704 . 1 1 1 A 64 64 ASP CA C 98 52.060 52.973 -0.913 1
1 705 . 1 1 1 A 64 64 ASP CB C 98 39.500 41.090 -1.590 1
1 706 . 1 1 1 A 64 64 ASP N N 98 120.463 117.708 2.755 1
1 707 . 1 1 1 A 65 65 GLY H H 99 10.672 8.632 2.040 1
1 708 . 1 1 1 A 65 65 GLY HA2 H 99 3.910 4.041 -0.131 1
1 709 . 1 1 1 A 65 65 GLY HA3 H 99 4.320 4.288 0.032 1
1 710 . 1 1 1 A 65 65 GLY CA C 99 45.160 46.017 -0.857 1
1 711 . 1 1 1 A 65 65 GLY N N 99 115.823 110.834 4.989 1
1 712 . 1 1 1 A 66 66 LEU H H 100 8.127 7.781 0.346 1
1 713 . 1 1 1 A 66 66 LEU HA H 100 5.150 5.119 0.031 1
1 723 . 1 1 1 A 66 66 LEU CA C 100 52.200 52.977 -0.777 1
1 724 . 1 1 1 A 66 66 LEU CB C 100 44.490 44.505 -0.015 1
1 728 . 1 1 1 A 66 66 LEU N N 100 123.135 122.353 0.782 1
1 729 . 1 1 1 A 67 67 LEU H H 101 8.729 9.282 -0.553 1
1 730 . 1 1 1 A 67 67 LEU HA H 101 5.810 5.192 0.618 1
1 740 . 1 1 1 A 67 67 LEU CA C 101 51.600 53.629 -2.029 1
1 741 . 1 1 1 A 67 67 LEU CB C 101 42.100 43.429 -1.329 1
1 745 . 1 1 1 A 67 67 LEU N N 101 121.189 122.169 -0.980 1
1 746 . 1 1 1 A 68 68 ASP H H 102 9.236 9.368 -0.132 1
1 747 . 1 1 1 A 68 68 ASP HA H 102 5.620 4.865 0.755 1
1 750 . 1 1 1 A 68 68 ASP CA C 102 51.160 53.028 -1.868 1
1 751 . 1 1 1 A 68 68 ASP CB C 102 39.750 42.489 -2.739 1
1 752 . 1 1 1 A 68 68 ASP N N 102 124.386 125.512 -1.126 1
1 753 . 1 1 1 A 69 69 ASP H H 103 8.539 8.732 -0.193 1
1 754 . 1 1 1 A 69 69 ASP HA H 103 2.830 3.462 -0.632 1
1 757 . 1 1 1 A 69 69 ASP CA C 103 56.160 58.178 -2.018 1
1 758 . 1 1 1 A 69 69 ASP CB C 103 37.160 41.117 -3.957 1
1 759 . 1 1 1 A 69 69 ASP N N 103 117.423 124.358 -6.935 1
1 760 . 1 1 1 A 70 70 GLU H H 104 7.997 7.802 0.195 1
1 761 . 1 1 1 A 70 70 GLU HA H 104 4.075 4.337 -0.262 1
1 766 . 1 1 1 A 70 70 GLU CA C 104 58.950 59.287 -0.337 1
1 767 . 1 1 1 A 70 70 GLU CB C 104 29.134 29.090 0.044 1
1 769 . 1 1 1 A 70 70 GLU N N 104 124.895 118.043 6.852 1
1 770 . 1 1 1 A 71 71 GLU H H 105 8.742 8.034 0.708 1
1 771 . 1 1 1 A 71 71 GLU HA H 105 4.048 4.154 -0.106 1
1 776 . 1 1 1 A 71 71 GLU CA C 105 58.570 59.079 -0.509 1
1 777 . 1 1 1 A 71 71 GLU CB C 105 30.270 29.352 0.918 1
1 779 . 1 1 1 A 71 71 GLU N N 105 123.465 120.823 2.642 1
1 780 . 1 1 1 A 72 72 PHE H H 106 9.426 8.717 0.709 1
1 781 . 1 1 1 A 72 72 PHE HA H 106 4.260 4.201 0.059 1
1 789 . 1 1 1 A 72 72 PHE CA C 106 60.000 61.706 -1.706 1
1 790 . 1 1 1 A 72 72 PHE CB C 106 38.440 39.257 -0.817 1
1 796 . 1 1 1 A 72 72 PHE N N 106 120.806 121.374 -0.568 1
1 797 . 1 1 1 A 73 73 ALA H H 107 8.097 8.154 -0.057 1
1 798 . 1 1 1 A 73 73 ALA HA H 107 3.790 3.971 -0.181 1
1 802 . 1 1 1 A 73 73 ALA CA C 107 54.010 55.132 -1.122 1
1 803 . 1 1 1 A 73 73 ALA CB C 107 16.691 18.386 -1.695 1
1 804 . 1 1 1 A 73 73 ALA N N 107 126.845 121.253 5.592 1
1 805 . 1 1 1 A 74 74 LEU H H 108 8.431 8.202 0.229 1
1 806 . 1 1 1 A 74 74 LEU HA H 108 4.065 3.873 0.192 1
1 816 . 1 1 1 A 74 74 LEU CA C 108 56.811 57.927 -1.116 1
1 817 . 1 1 1 A 74 74 LEU CB C 108 41.090 41.696 -0.606 1
1 821 . 1 1 1 A 74 74 LEU N N 108 121.250 118.175 3.075 1
1 822 . 1 1 1 A 75 75 ALA H H 109 8.663 8.306 0.357 1
1 823 . 1 1 1 A 75 75 ALA HA H 109 3.660 3.996 -0.336 1
1 827 . 1 1 1 A 75 75 ALA CA C 109 54.220 55.652 -1.432 1
1 828 . 1 1 1 A 75 75 ALA CB C 109 15.220 18.210 -2.990 1
1 829 . 1 1 1 A 75 75 ALA N N 109 122.981 121.994 0.987 1
1 830 . 1 1 1 A 76 76 ASN H H 110 7.249 7.856 -0.607 1
1 831 . 1 1 1 A 76 76 ASN HA H 110 3.800 4.146 -0.346 1
1 836 . 1 1 1 A 76 76 ASN CA C 110 55.500 55.815 -0.315 1
1 837 . 1 1 1 A 76 76 ASN CB C 110 36.610 36.837 -0.227 1
1 838 . 1 1 1 A 76 76 ASN N N 110 115.681 116.201 -0.520 1
1 840 . 1 1 1 A 77 77 HIS H H 111 8.345 7.769 0.576 1
1 841 . 1 1 1 A 77 77 HIS HA H 111 4.092 4.237 -0.145 1
1 846 . 1 1 1 A 77 77 HIS CA C 111 59.180 59.917 -0.737 1
1 847 . 1 1 1 A 77 77 HIS CB C 111 30.420 30.485 -0.065 1
1 850 . 1 1 1 A 77 77 HIS N N 111 124.686 120.846 3.840 1
1 851 . 1 1 1 A 78 78 LEU H H 112 8.290 8.540 -0.250 1
1 852 . 1 1 1 A 78 78 LEU HA H 112 3.830 3.781 0.049 1
1 862 . 1 1 1 A 78 78 LEU CA C 112 56.115 57.851 -1.736 1
1 863 . 1 1 1 A 78 78 LEU CB C 112 41.000 41.442 -0.442 1
1 867 . 1 1 1 A 78 78 LEU N N 112 119.085 119.214 -0.129 1
1 868 . 1 1 1 A 79 79 ILE H H 113 7.792 7.999 -0.207 1
1 869 . 1 1 1 A 79 79 ILE HA H 113 3.290 3.469 -0.179 1
1 879 . 1 1 1 A 79 79 ILE CA C 113 65.020 65.674 -0.654 1
1 880 . 1 1 1 A 79 79 ILE CB C 113 36.730 37.870 -1.140 1
1 884 . 1 1 1 A 79 79 ILE N N 113 121.304 120.032 1.272 1
1 885 . 1 1 1 A 80 80 LYS H H 114 7.537 7.893 -0.356 1
1 886 . 1 1 1 A 80 80 LYS HA H 114 3.830 4.031 -0.201 1
1 895 . 1 1 1 A 80 80 LYS CA C 114 58.970 59.018 -0.048 1
1 896 . 1 1 1 A 80 80 LYS CB C 114 30.470 31.599 -1.129 1
1 900 . 1 1 1 A 80 80 LYS N N 114 122.150 120.653 1.497 1
1 901 . 1 1 1 A 81 81 VAL H H 115 8.110 8.014 0.096 1
1 902 . 1 1 1 A 81 81 VAL HA H 115 3.740 3.454 0.286 1
1 910 . 1 1 1 A 81 81 VAL CA C 115 64.500 66.672 -2.172 1
1 911 . 1 1 1 A 81 81 VAL CB C 115 30.050 31.231 -1.181 1
1 914 . 1 1 1 A 81 81 VAL N N 115 118.999 119.734 -0.735 1
1 915 . 1 1 1 A 82 82 LYS H H 116 7.853 7.714 0.139 1
1 916 . 1 1 1 A 82 82 LYS HA H 116 4.550 4.193 0.357 1
1 925 . 1 1 1 A 82 82 LYS CA C 116 56.000 59.909 -3.909 1
1 926 . 1 1 1 A 82 82 LYS CB C 116 30.340 32.274 -1.934 1
1 930 . 1 1 1 A 82 82 LYS N N 116 123.030 119.155 3.875 1
1 931 . 1 1 1 A 83 83 LEU H H 117 8.959 7.999 0.960 1
1 932 . 1 1 1 A 83 83 LEU HA H 117 4.090 4.053 0.037 1
1 942 . 1 1 1 A 83 83 LEU CA C 117 56.620 57.775 -1.155 1
1 943 . 1 1 1 A 83 83 LEU CB C 117 40.361 41.998 -1.637 1
1 947 . 1 1 1 A 83 83 LEU N N 117 125.378 121.094 4.284 1
1 948 . 1 1 1 A 84 84 GLU H H 118 7.817 8.104 -0.287 1
1 949 . 1 1 1 A 84 84 GLU HA H 118 4.164 4.261 -0.097 1
1 954 . 1 1 1 A 84 84 GLU CA C 118 55.600 56.305 -0.705 1
1 955 . 1 1 1 A 84 84 GLU CB C 118 28.600 29.857 -1.257 1
1 957 . 1 1 1 A 84 84 GLU N N 118 119.766 115.818 3.948 1
1 958 . 1 1 1 A 85 85 GLY H H 119 7.862 8.291 -0.429 1
1 959 . 1 1 1 A 85 85 GLY HA2 H 119 3.650 3.723 -0.073 1
1 960 . 1 1 1 A 85 85 GLY HA3 H 119 4.140 3.810 0.330 1
1 961 . 1 1 1 A 85 85 GLY CA C 119 43.690 45.720 -2.030 1
1 962 . 1 1 1 A 85 85 GLY N N 119 107.902 108.400 -0.498 1
1 963 . 1 1 1 A 86 86 HIS H H 120 7.714 7.647 0.067 1
1 964 . 1 1 1 A 86 86 HIS HA H 120 4.680 5.060 -0.380 1
1 969 . 1 1 1 A 86 86 HIS CA C 120 53.900 54.992 -1.092 1
1 970 . 1 1 1 A 86 86 HIS CB C 120 29.390 34.378 -4.988 1
1 972 . 1 1 1 A 86 86 HIS N N 120 122.124 116.668 5.456 1
1 973 . 1 1 1 A 87 87 GLU H H 121 8.491 8.829 -0.338 1
1 974 . 1 1 1 A 87 87 GLU HA H 121 4.310 5.001 -0.691 1
1 979 . 1 1 1 A 87 87 GLU CA C 121 54.000 54.834 -0.834 1
1 980 . 1 1 1 A 87 87 GLU CB C 121 29.120 33.631 -4.511 1
1 982 . 1 1 1 A 87 87 GLU N N 121 121.826 118.979 2.847 1
1 983 . 1 1 1 A 88 88 LEU H H 122 8.672 8.965 -0.293 1
1 984 . 1 1 1 A 88 88 LEU HA H 122 4.420 4.860 -0.440 1
1 994 . 1 1 1 A 88 88 LEU CA C 122 50.777 51.065 -0.288 1
1 995 . 1 1 1 A 88 88 LEU CB C 122 39.986 42.801 -2.815 1
1 999 . 1 1 1 A 88 88 LEU N N 122 125.316 122.758 2.558 1
1 1000 . 1 1 1 A 89 89 PRO HA H 123 4.570 4.435 0.135 1
1 1007 . 1 1 1 A 89 89 PRO CA C 123 60.690 63.703 -3.013 1
1 1008 . 1 1 1 A 89 89 PRO CB C 123 30.320 32.298 -1.978 1
1 1011 . 1 1 1 A 90 90 ALA H H 124 8.451 8.015 0.436 1
1 1012 . 1 1 1 A 90 90 ALA HA H 124 4.080 3.970 0.110 1
1 1016 . 1 1 1 A 90 90 ALA CA C 124 52.700 53.586 -0.886 1
1 1017 . 1 1 1 A 90 90 ALA CB C 124 17.760 17.922 -0.162 1
1 1018 . 1 1 1 A 90 90 ALA N N 124 123.603 120.088 3.515 1
1 1019 . 1 1 1 A 91 91 ASP H H 125 7.473 7.774 -0.301 1
1 1020 . 1 1 1 A 91 91 ASP HA H 125 4.640 5.224 -0.584 1
1 1023 . 1 1 1 A 91 91 ASP CA C 125 50.340 52.994 -2.654 1
1 1024 . 1 1 1 A 91 91 ASP CB C 125 42.620 43.312 -0.692 1
1 1025 . 1 1 1 A 91 91 ASP N N 125 115.317 117.107 -1.790 1
1 1026 . 1 1 1 A 92 92 LEU H H 126 8.883 8.925 -0.042 1
1 1027 . 1 1 1 A 92 92 LEU HA H 126 4.200 4.979 -0.779 1
1 1037 . 1 1 1 A 92 92 LEU CA C 126 51.930 51.370 0.560 1
1 1038 . 1 1 1 A 92 92 LEU CB C 126 41.032 44.008 -2.976 1
1 1042 . 1 1 1 A 92 92 LEU N N 126 125.329 124.461 0.868 1
1 1043 . 1 1 1 A 93 93 PRO HA H 127 4.870 4.520 0.350 1
1 1050 . 1 1 1 A 93 93 PRO CA C 127 59.820 61.780 -1.960 1
1 1051 . 1 1 1 A 93 93 PRO CB C 127 29.800 32.267 -2.467 1
1 1054 . 1 1 1 A 94 94 PRO HA H 128 4.230 4.181 0.049 1
1 1061 . 1 1 1 A 94 94 PRO CA C 128 64.560 65.060 -0.500 1
1 1062 . 1 1 1 A 94 94 PRO CB C 128 30.900 31.942 -1.042 1
1 1065 . 1 1 1 A 95 95 HIS H H 129 7.922 7.778 0.144 1
1 1066 . 1 1 1 A 95 95 HIS HA H 129 4.650 4.607 0.043 1
1 1071 . 1 1 1 A 95 95 HIS CA C 129 56.810 55.751 1.059 1
1 1072 . 1 1 1 A 95 95 HIS CB C 129 28.100 30.528 -2.428 1
1 1075 . 1 1 1 A 95 95 HIS N N 129 112.757 114.885 -2.128 1
1 1076 . 1 1 1 A 96 96 LEU H H 130 7.709 7.786 -0.077 1
1 1077 . 1 1 1 A 96 96 LEU HA H 130 4.646 4.341 0.305 1
1 1087 . 1 1 1 A 96 96 LEU CA C 130 53.100 55.197 -2.097 1
1 1088 . 1 1 1 A 96 96 LEU CB C 130 42.210 43.183 -0.973 1
1 1092 . 1 1 1 A 96 96 LEU N N 130 121.128 119.458 1.670 1
1 1093 . 1 1 1 A 97 97 VAL H H 131 7.184 7.425 -0.241 1
1 1094 . 1 1 1 A 97 97 VAL HA H 131 3.730 4.425 -0.695 1
1 1102 . 1 1 1 A 97 97 VAL CA C 131 60.520 59.850 0.670 1
1 1103 . 1 1 1 A 97 97 VAL CB C 131 31.310 33.386 -2.076 1
1 1106 . 1 1 1 A 97 97 VAL N N 131 125.572 120.475 5.097 1
1 1107 . 1 1 1 A 98 98 PRO HA H 132 2.700 3.876 -1.176 1
1 1114 . 1 1 1 A 98 98 PRO CA C 132 59.400 61.738 -2.338 1
1 1115 . 1 1 1 A 98 98 PRO CB C 132 30.250 31.851 -1.601 1
1 1118 . 1 1 1 A 99 99 PRO HA H 133 3.620 4.313 -0.693 1
1 1125 . 1 1 1 A 99 99 PRO CA C 133 64.760 64.329 0.431 1
1 1126 . 1 1 1 A 99 99 PRO CB C 133 30.770 31.649 -0.879 1
1 1129 . 1 1 1 A 100 100 SER H H 134 9.195 8.188 1.007 1
1 1130 . 1 1 1 A 100 100 SER HA H 134 4.150 4.427 -0.277 1
1 1133 . 1 1 1 A 100 100 SER CA C 134 59.660 59.542 0.118 1
1 1134 . 1 1 1 A 100 100 SER CB C 134 61.320 63.145 -1.825 1
1 1135 . 1 1 1 A 100 100 SER N N 134 115.005 114.790 0.215 1
1 1136 . 1 1 1 A 101 101 LYS H H 135 7.867 7.275 0.592 1
1 1137 . 1 1 1 A 101 101 LYS HA H 135 4.480 4.422 0.058 1
1 1146 . 1 1 1 A 101 101 LYS CA C 135 52.490 55.356 -2.866 1
1 1147 . 1 1 1 A 101 101 LYS CB C 135 30.600 32.487 -1.887 1
1 1151 . 1 1 1 A 101 101 LYS N N 135 121.053 118.427 2.626 1
1 1152 . 1 1 1 A 102 102 ARG H H 136 7.077 7.593 -0.516 1
1 1153 . 1 1 1 A 102 102 ARG HA H 136 4.110 4.753 -0.643 1
1 1164 . 1 1 1 A 102 102 ARG CA C 136 55.440 54.736 0.704 1
1 1165 . 1 1 1 A 102 102 ARG CB C 136 29.100 32.378 -3.278 1
1 1168 . 1 1 1 A 102 102 ARG N N 136 121.939 120.071 1.868 1
1 1169 . 1 1 1 A 103 103 ARG H H 137 8.289 8.348 -0.059 1
1 1170 . 1 1 1 A 103 103 ARG HA H 137 4.300 4.616 -0.316 1
1 1181 . 1 1 1 A 103 103 ARG CA C 137 54.100 55.075 -0.975 1
1 1182 . 1 1 1 A 103 103 ARG CB C 137 29.700 30.966 -1.266 1
1 1185 . 1 1 1 A 103 103 ARG N N 137 123.504 122.425 1.079 1
1 1186 . 1 1 1 A 104 104 HIS H H 138 8.370 8.983 -0.613 1
1 1187 . 1 1 1 A 104 104 HIS HA H 138 4.678 4.974 -0.296 1
1 1192 . 1 1 1 A 104 104 HIS CA C 138 54.110 54.570 -0.460 1
1 1193 . 1 1 1 A 104 104 HIS CB C 138 28.730 30.578 -1.848 1
1 1 . 2 1 1 A 7 7 ASP H H 41 8.479 8.849 -0.370 1
1 2 . 2 1 1 A 7 7 ASP HA H 41 4.650 5.346 -0.696 1
1 5 . 2 1 1 A 7 7 ASP CA C 41 53.120 53.233 -0.113 1
1 6 . 2 1 1 A 7 7 ASP CB C 41 39.840 42.577 -2.737 1
1 7 . 2 1 1 A 7 7 ASP N N 41 124.447 124.741 -0.294 1
1 8 . 2 1 1 A 8 8 VAL H H 42 7.916 8.979 -1.063 1
1 9 . 2 1 1 A 8 8 VAL HA H 42 4.150 4.911 -0.761 1
1 17 . 2 1 1 A 8 8 VAL CA C 42 60.500 59.809 0.691 1
1 18 . 2 1 1 A 8 8 VAL CB C 42 31.540 34.379 -2.839 1
1 21 . 2 1 1 A 8 8 VAL N N 42 120.853 124.527 -3.674 1
1 22 . 2 1 1 A 9 9 GLU H H 43 8.476 8.475 0.001 1
1 23 . 2 1 1 A 9 9 GLU HA H 43 4.300 4.246 0.054 1
1 28 . 2 1 1 A 9 9 GLU CA C 43 55.400 56.793 -1.393 1
1 29 . 2 1 1 A 9 9 GLU CB C 43 29.120 29.924 -0.804 1
1 31 . 2 1 1 A 9 9 GLU N N 43 127.650 124.606 3.044 1
1 32 . 2 1 1 A 10 10 TRP H H 44 8.839 8.865 -0.026 1
1 33 . 2 1 1 A 10 10 TRP HA H 44 5.240 4.833 0.407 1
1 42 . 2 1 1 A 10 10 TRP CA C 44 54.290 56.324 -2.034 1
1 43 . 2 1 1 A 10 10 TRP CB C 44 27.330 29.941 -2.611 1
1 49 . 2 1 1 A 10 10 TRP N N 44 126.406 125.628 0.778 1
1 50 . 2 1 1 A 11 11 VAL H H 45 9.230 8.491 0.739 1
1 51 . 2 1 1 A 11 11 VAL HA H 45 3.900 3.563 0.337 1
1 59 . 2 1 1 A 11 11 VAL CA C 45 63.500 66.341 -2.841 1
1 60 . 2 1 1 A 11 11 VAL CB C 45 30.420 31.507 -1.087 1
1 63 . 2 1 1 A 11 11 VAL N N 45 131.353 126.660 4.693 1
1 64 . 2 1 1 A 12 12 VAL H H 46 5.020 7.209 -2.189 1
1 65 . 2 1 1 A 12 12 VAL HA H 46 3.050 3.134 -0.084 1
1 73 . 2 1 1 A 12 12 VAL CA C 46 60.540 65.564 -5.024 1
1 74 . 2 1 1 A 12 12 VAL CB C 46 29.280 30.489 -1.209 1
1 77 . 2 1 1 A 13 13 GLY H H 47 7.330 8.134 -0.804 1
1 78 . 2 1 1 A 13 13 GLY HA2 H 47 3.600 3.981 -0.381 1
1 79 . 2 1 1 A 13 13 GLY HA3 H 47 4.194 4.054 0.140 1
1 80 . 2 1 1 A 13 13 GLY CA C 47 46.400 46.666 -0.266 1
1 81 . 2 1 1 A 14 14 LYS H H 48 7.581 7.697 -0.116 1
1 82 . 2 1 1 A 14 14 LYS HA H 48 4.077 4.079 -0.002 1
1 91 . 2 1 1 A 14 14 LYS CA C 48 57.420 58.925 -1.505 1
1 92 . 2 1 1 A 14 14 LYS CB C 48 30.490 32.486 -1.996 1
1 96 . 2 1 1 A 14 14 LYS N N 48 121.084 120.472 0.612 1
1 97 . 2 1 1 A 15 15 ASP H H 49 7.309 7.660 -0.351 1
1 98 . 2 1 1 A 15 15 ASP HA H 49 4.770 4.772 -0.002 1
1 101 . 2 1 1 A 15 15 ASP CA C 49 52.880 52.370 0.510 1
1 102 . 2 1 1 A 15 15 ASP CB C 49 41.910 41.630 0.280 1
1 103 . 2 1 1 A 15 15 ASP N N 49 118.181 119.681 -1.500 1
1 104 . 2 1 1 A 16 16 LYS H H 50 7.506 7.582 -0.076 1
1 105 . 2 1 1 A 16 16 LYS HA H 50 4.068 3.893 0.175 1
1 114 . 2 1 1 A 16 16 LYS CA C 50 60.180 61.232 -1.052 1
1 115 . 2 1 1 A 16 16 LYS CB C 50 30.193 31.566 -1.373 1
1 119 . 2 1 1 A 16 16 LYS N N 50 123.633 121.586 2.047 1
1 120 . 2 1 1 A 17 17 PRO HA H 51 4.440 4.356 0.084 1
1 127 . 2 1 1 A 17 17 PRO CA C 51 65.660 65.382 0.278 1
1 128 . 2 1 1 A 17 17 PRO CB C 51 29.600 31.096 -1.496 1
1 131 . 2 1 1 A 18 18 THR H H 52 7.280 7.492 -0.212 1
1 132 . 2 1 1 A 18 18 THR HA H 52 3.980 4.017 -0.037 1
1 137 . 2 1 1 A 18 18 THR CA C 52 64.440 65.245 -0.805 1
1 138 . 2 1 1 A 18 18 THR CB C 52 67.210 68.151 -0.941 1
1 140 . 2 1 1 A 18 18 THR N N 52 115.095 111.928 3.167 1
1 141 . 2 1 1 A 19 19 TYR H H 53 7.083 7.563 -0.480 1
1 142 . 2 1 1 A 19 19 TYR HA H 53 4.728 4.418 0.310 1
1 149 . 2 1 1 A 19 19 TYR CA C 53 57.110 62.105 -4.995 1
1 150 . 2 1 1 A 19 19 TYR CB C 53 35.170 37.275 -2.105 1
1 155 . 2 1 1 A 19 19 TYR N N 53 125.380 119.518 5.862 1
1 156 . 2 1 1 A 20 20 ASP H H 54 9.588 8.750 0.838 1
1 157 . 2 1 1 A 20 20 ASP HA H 54 4.520 4.553 -0.033 1
1 160 . 2 1 1 A 20 20 ASP CA C 54 55.515 57.709 -2.194 1
1 161 . 2 1 1 A 20 20 ASP CB C 54 38.740 41.265 -2.525 1
1 162 . 2 1 1 A 20 20 ASP N N 54 124.548 122.046 2.502 1
1 163 . 2 1 1 A 21 21 GLU H H 55 7.309 8.396 -1.087 1
1 164 . 2 1 1 A 21 21 GLU HA H 55 4.140 4.069 0.071 1
1 169 . 2 1 1 A 21 21 GLU CA C 55 58.100 59.367 -1.267 1
1 170 . 2 1 1 A 21 21 GLU CB C 55 28.400 29.666 -1.266 1
1 172 . 2 1 1 A 21 21 GLU N N 55 118.181 118.989 -0.808 1
1 173 . 2 1 1 A 22 22 ILE H H 56 7.249 8.054 -0.805 1
1 174 . 2 1 1 A 22 22 ILE HA H 56 3.946 4.113 -0.167 1
1 184 . 2 1 1 A 22 22 ILE CA C 56 62.400 65.585 -3.185 1
1 185 . 2 1 1 A 22 22 ILE CB C 56 37.597 38.091 -0.494 1
1 189 . 2 1 1 A 22 22 ILE N N 56 118.978 120.449 -1.471 1
1 190 . 2 1 1 A 23 23 PHE H H 57 9.117 8.788 0.329 1
1 191 . 2 1 1 A 23 23 PHE HA H 57 3.100 3.916 -0.816 1
1 199 . 2 1 1 A 23 23 PHE CA C 57 61.330 61.727 -0.397 1
1 200 . 2 1 1 A 23 23 PHE CB C 57 38.250 39.350 -1.100 1
1 206 . 2 1 1 A 23 23 PHE N N 57 127.639 121.519 6.120 1
1 207 . 2 1 1 A 24 24 TYR H H 58 7.903 8.258 -0.355 1
1 208 . 2 1 1 A 24 24 TYR HA H 58 4.000 4.441 -0.441 1
1 215 . 2 1 1 A 24 24 TYR CA C 58 60.480 61.031 -0.551 1
1 216 . 2 1 1 A 24 24 TYR CB C 58 36.086 39.028 -2.942 1
1 221 . 2 1 1 A 24 24 TYR N N 58 112.757 114.611 -1.854 1
1 222 . 2 1 1 A 25 25 THR H H 59 8.081 8.061 0.020 1
1 223 . 2 1 1 A 25 25 THR HA H 59 4.650 4.335 0.315 1
1 229 . 2 1 1 A 25 25 THR CA C 59 61.770 64.162 -2.392 1
1 230 . 2 1 1 A 25 25 THR CB C 59 68.700 69.144 -0.444 1
1 232 . 2 1 1 A 25 25 THR N N 59 112.676 113.869 -1.193 1
1 233 . 2 1 1 A 26 26 LEU H H 60 7.373 7.481 -0.108 1
1 234 . 2 1 1 A 26 26 LEU HA H 60 4.470 4.339 0.131 1
1 244 . 2 1 1 A 26 26 LEU CA C 60 52.330 54.030 -1.700 1
1 245 . 2 1 1 A 26 26 LEU CB C 60 38.700 41.648 -2.948 1
1 249 . 2 1 1 A 26 26 LEU N N 60 125.808 120.386 5.422 1
1 250 . 2 1 1 A 27 27 SER H H 61 7.860 8.019 -0.159 1
1 251 . 2 1 1 A 27 27 SER HA H 61 3.990 4.113 -0.123 1
1 254 . 2 1 1 A 27 27 SER CA C 61 56.300 58.618 -2.318 1
1 255 . 2 1 1 A 27 27 SER CB C 61 60.230 61.520 -1.290 1
1 256 . 2 1 1 A 27 27 SER N N 61 111.582 112.440 -0.858 1
1 257 . 2 1 1 A 28 28 PRO HA H 62 4.210 4.480 -0.270 1
1 264 . 2 1 1 A 28 28 PRO CA C 62 61.600 61.945 -0.345 1
1 265 . 2 1 1 A 28 28 PRO CB C 62 29.890 31.448 -1.558 1
1 268 . 2 1 1 A 29 29 VAL H H 63 8.750 8.312 0.438 1
1 269 . 2 1 1 A 29 29 VAL HA H 63 4.180 4.257 -0.077 1
1 277 . 2 1 1 A 29 29 VAL CA C 63 60.660 60.501 0.159 1
1 278 . 2 1 1 A 29 29 VAL CB C 63 32.878 33.257 -0.379 1
1 281 . 2 1 1 A 29 29 VAL N N 63 124.299 121.572 2.727 1
1 282 . 2 1 1 A 30 30 ASN H H 64 9.713 9.118 0.595 1
1 283 . 2 1 1 A 30 30 ASN HA H 64 4.420 4.476 -0.056 1
1 288 . 2 1 1 A 30 30 ASN CA C 64 52.940 53.981 -1.041 1
1 289 . 2 1 1 A 30 30 ASN CB C 64 36.300 36.232 0.068 1
1 290 . 2 1 1 A 30 30 ASN N N 64 129.729 127.113 2.616 1
1 292 . 2 1 1 A 31 31 GLY H H 65 8.862 8.647 0.215 1
1 293 . 2 1 1 A 31 31 GLY HA2 H 65 3.760 3.930 -0.170 1
1 294 . 2 1 1 A 31 31 GLY HA3 H 65 4.260 3.952 0.308 1
1 295 . 2 1 1 A 31 31 GLY CA C 65 44.260 45.528 -1.268 1
1 296 . 2 1 1 A 31 31 GLY N N 65 130.591 108.738 21.853 1
1 297 . 2 1 1 A 32 32 LYS H H 66 7.501 8.157 -0.656 1
1 298 . 2 1 1 A 32 32 LYS HA H 66 5.420 5.232 0.188 1
1 307 . 2 1 1 A 32 32 LYS CA C 66 53.900 55.286 -1.386 1
1 308 . 2 1 1 A 32 32 LYS CB C 66 36.200 35.844 0.356 1
1 312 . 2 1 1 A 32 32 LYS N N 66 118.738 119.997 -1.259 1
1 313 . 2 1 1 A 33 33 ILE H H 67 9.230 8.758 0.472 1
1 314 . 2 1 1 A 33 33 ILE HA H 67 5.030 4.542 0.488 1
1 324 . 2 1 1 A 33 33 ILE CA C 67 57.470 59.893 -2.423 1
1 325 . 2 1 1 A 33 33 ILE CB C 67 39.880 39.035 0.845 1
1 329 . 2 1 1 A 33 33 ILE N N 67 118.166 122.538 -4.372 1
1 330 . 2 1 1 A 34 34 THR H H 68 8.242 8.457 -0.215 1
1 331 . 2 1 1 A 34 34 THR HA H 68 4.560 4.629 -0.069 1
1 337 . 2 1 1 A 34 34 THR CA C 68 58.970 61.939 -2.969 1
1 338 . 2 1 1 A 34 34 THR CB C 68 69.910 69.465 0.445 1
1 340 . 2 1 1 A 34 34 THR N N 68 111.971 118.781 -6.810 1
1 341 . 2 1 1 A 35 35 GLY H H 69 8.987 8.458 0.529 1
1 342 . 2 1 1 A 35 35 GLY HA2 H 69 3.530 3.832 -0.302 1
1 343 . 2 1 1 A 35 35 GLY HA3 H 69 3.830 4.202 -0.372 1
1 344 . 2 1 1 A 35 35 GLY CA C 69 46.900 47.073 -0.173 1
1 345 . 2 1 1 A 35 35 GLY N N 69 110.332 114.011 -3.679 1
1 346 . 2 1 1 A 36 36 ALA H H 70 8.289 8.030 0.259 1
1 347 . 2 1 1 A 36 36 ALA HA H 70 3.890 3.956 -0.066 1
1 351 . 2 1 1 A 36 36 ALA CA C 70 53.830 54.756 -0.926 1
1 352 . 2 1 1 A 36 36 ALA CB C 70 16.900 18.577 -1.677 1
1 353 . 2 1 1 A 36 36 ALA N N 70 123.588 124.413 -0.825 1
1 354 . 2 1 1 A 37 37 ASN H H 71 7.550 7.867 -0.317 1
1 355 . 2 1 1 A 37 37 ASN HA H 71 4.690 4.523 0.167 1
1 360 . 2 1 1 A 37 37 ASN CA C 71 54.000 55.728 -1.728 1
1 361 . 2 1 1 A 37 37 ASN CB C 71 36.300 37.885 -1.585 1
1 362 . 2 1 1 A 37 37 ASN N N 71 118.594 117.488 1.106 1
1 364 . 2 1 1 A 38 38 ALA H H 72 8.825 7.810 1.015 1
1 365 . 2 1 1 A 38 38 ALA HA H 72 4.110 4.356 -0.246 1
1 369 . 2 1 1 A 38 38 ALA CA C 72 54.340 55.768 -1.428 1
1 370 . 2 1 1 A 38 38 ALA CB C 72 17.970 18.810 -0.840 1
1 371 . 2 1 1 A 38 38 ALA N N 72 123.885 122.834 1.051 1
1 372 . 2 1 1 A 39 39 LYS H H 73 8.798 8.111 0.687 1
1 373 . 2 1 1 A 39 39 LYS HA H 73 3.940 3.962 -0.022 1
1 382 . 2 1 1 A 39 39 LYS CA C 73 59.000 59.682 -0.682 1
1 383 . 2 1 1 A 39 39 LYS CB C 73 30.880 32.140 -1.260 1
1 387 . 2 1 1 A 39 39 LYS N N 73 120.109 118.398 1.711 1
1 388 . 2 1 1 A 40 40 LYS H H 74 7.295 7.716 -0.421 1
1 389 . 2 1 1 A 40 40 LYS HA H 74 3.990 4.127 -0.137 1
1 398 . 2 1 1 A 40 40 LYS CA C 74 58.240 59.351 -1.111 1
1 399 . 2 1 1 A 40 40 LYS CB C 74 30.900 32.088 -1.188 1
1 403 . 2 1 1 A 40 40 LYS N N 74 118.573 118.644 -0.071 1
1 404 . 2 1 1 A 41 41 GLU H H 75 7.111 7.927 -0.816 1
1 405 . 2 1 1 A 41 41 GLU HA H 75 4.450 4.193 0.257 1
1 410 . 2 1 1 A 41 41 GLU CA C 75 56.260 59.421 -3.161 1
1 411 . 2 1 1 A 41 41 GLU CB C 75 28.900 29.285 -0.385 1
1 413 . 2 1 1 A 41 41 GLU N N 75 117.503 119.650 -2.147 1
1 414 . 2 1 1 A 42 42 MET H H 76 8.672 8.436 0.236 1
1 415 . 2 1 1 A 42 42 MET HA H 76 4.020 4.208 -0.188 1
1 423 . 2 1 1 A 42 42 MET CA C 76 58.980 58.808 0.172 1
1 424 . 2 1 1 A 42 42 MET CB C 76 33.270 31.835 1.435 1
1 427 . 2 1 1 A 42 42 MET N N 76 121.435 119.054 2.381 1
1 428 . 2 1 1 A 43 43 VAL H H 77 8.703 8.280 0.423 1
1 429 . 2 1 1 A 43 43 VAL HA H 77 4.070 3.863 0.207 1
1 437 . 2 1 1 A 43 43 VAL CA C 77 63.490 64.777 -1.287 1
1 438 . 2 1 1 A 43 43 VAL CB C 77 30.570 31.604 -1.034 1
1 441 . 2 1 1 A 43 43 VAL N N 77 117.135 119.073 -1.938 1
1 442 . 2 1 1 A 44 44 LYS H H 78 7.475 7.914 -0.439 1
1 443 . 2 1 1 A 44 44 LYS HA H 78 4.130 4.118 0.012 1
1 452 . 2 1 1 A 44 44 LYS CA C 78 57.760 59.458 -1.698 1
1 453 . 2 1 1 A 44 44 LYS CB C 78 30.990 31.978 -0.988 1
1 457 . 2 1 1 A 44 44 LYS N N 78 124.308 122.510 1.798 1
1 458 . 2 1 1 A 45 45 SER H H 79 7.534 7.539 -0.005 1
1 459 . 2 1 1 A 45 45 SER HA H 79 4.080 4.405 -0.325 1
1 462 . 2 1 1 A 45 45 SER CA C 79 59.440 61.355 -1.915 1
1 463 . 2 1 1 A 45 45 SER CB C 79 64.580 63.363 1.217 1
1 464 . 2 1 1 A 45 45 SER N N 79 114.575 114.870 -0.295 1
1 465 . 2 1 1 A 46 46 LYS H H 80 7.822 7.560 0.262 1
1 466 . 2 1 1 A 46 46 LYS HA H 80 3.940 3.915 0.025 1
1 475 . 2 1 1 A 46 46 LYS CA C 80 57.020 57.673 -0.653 1
1 476 . 2 1 1 A 46 46 LYS CB C 80 27.840 29.147 -1.307 1
1 480 . 2 1 1 A 46 46 LYS N N 80 114.855 117.255 -2.400 1
1 481 . 2 1 1 A 47 47 LEU H H 81 7.486 7.904 -0.418 1
1 482 . 2 1 1 A 47 47 LEU HA H 81 4.490 4.478 0.012 1
1 492 . 2 1 1 A 47 47 LEU CA C 81 52.000 52.880 -0.880 1
1 493 . 2 1 1 A 47 47 LEU CB C 81 40.400 41.017 -0.617 1
1 497 . 2 1 1 A 47 47 LEU N N 81 122.848 119.956 2.892 1
1 498 . 2 1 1 A 48 48 PRO HA H 82 4.520 4.594 -0.074 1
1 505 . 2 1 1 A 48 48 PRO CA C 82 60.910 62.392 -1.482 1
1 506 . 2 1 1 A 48 48 PRO CB C 82 31.550 32.755 -1.205 1
1 509 . 2 1 1 A 49 49 ASN H H 83 7.580 8.731 -1.151 1
1 510 . 2 1 1 A 49 49 ASN HA H 83 4.270 4.407 -0.137 1
1 515 . 2 1 1 A 49 49 ASN CA C 83 56.000 55.757 0.243 1
1 516 . 2 1 1 A 49 49 ASN CB C 83 36.900 38.092 -1.192 1
1 518 . 2 1 1 A 50 50 THR H H 84 7.260 8.027 -0.767 1
1 519 . 2 1 1 A 50 50 THR HA H 84 4.020 3.954 0.066 1
1 524 . 2 1 1 A 50 50 THR CA C 84 63.474 67.180 -3.706 1
1 525 . 2 1 1 A 50 50 THR CB C 84 66.850 68.867 -2.017 1
1 527 . 2 1 1 A 51 51 VAL H H 85 6.887 7.994 -1.107 1
1 528 . 2 1 1 A 51 51 VAL HA H 85 3.660 3.591 0.069 1
1 536 . 2 1 1 A 51 51 VAL CA C 85 64.300 67.062 -2.762 1
1 537 . 2 1 1 A 51 51 VAL CB C 85 30.500 31.622 -1.122 1
1 540 . 2 1 1 A 51 51 VAL N N 85 125.031 121.768 3.263 1
1 541 . 2 1 1 A 52 52 LEU H H 86 8.006 8.555 -0.549 1
1 542 . 2 1 1 A 52 52 LEU HA H 86 3.710 4.056 -0.346 1
1 552 . 2 1 1 A 52 52 LEU CA C 86 56.600 58.391 -1.791 1
1 553 . 2 1 1 A 52 52 LEU CB C 86 38.940 41.671 -2.731 1
1 557 . 2 1 1 A 52 52 LEU N N 86 121.391 120.081 1.310 1
1 558 . 2 1 1 A 53 53 GLY H H 87 8.438 8.680 -0.242 1
1 559 . 2 1 1 A 53 53 GLY HA2 H 87 3.850 3.824 0.026 1
1 560 . 2 1 1 A 53 53 GLY HA3 H 87 3.990 3.851 0.139 1
1 561 . 2 1 1 A 53 53 GLY CA C 87 46.200 47.145 -0.945 1
1 562 . 2 1 1 A 53 53 GLY N N 87 108.191 106.566 1.625 1
1 563 . 2 1 1 A 54 54 LYS H H 88 7.300 7.925 -0.625 1
1 564 . 2 1 1 A 54 54 LYS HA H 88 4.130 4.021 0.109 1
1 573 . 2 1 1 A 54 54 LYS CA C 88 57.890 59.466 -1.576 1
1 574 . 2 1 1 A 54 54 LYS CB C 88 31.000 32.470 -1.470 1
1 578 . 2 1 1 A 54 54 LYS N N 88 125.192 121.401 3.791 1
1 579 . 2 1 1 A 55 55 ILE H H 89 8.055 8.292 -0.237 1
1 580 . 2 1 1 A 55 55 ILE HA H 89 3.476 3.603 -0.127 1
1 590 . 2 1 1 A 55 55 ILE CA C 89 65.360 65.593 -0.233 1
1 591 . 2 1 1 A 55 55 ILE CB C 89 36.300 37.723 -1.423 1
1 595 . 2 1 1 A 55 55 ILE N N 89 122.309 119.441 2.868 1
1 596 . 2 1 1 A 56 56 TRP H H 90 8.749 8.485 0.264 1
1 597 . 2 1 1 A 56 56 TRP HA H 90 3.880 4.135 -0.255 1
1 606 . 2 1 1 A 56 56 TRP CA C 90 60.260 60.604 -0.344 1
1 607 . 2 1 1 A 56 56 TRP CB C 90 27.660 29.773 -2.113 1
1 613 . 2 1 1 A 56 56 TRP N N 90 122.116 121.609 0.507 1
1 615 . 2 1 1 A 57 57 LYS H H 91 7.581 7.901 -0.320 1
1 616 . 2 1 1 A 57 57 LYS HA H 91 3.910 4.301 -0.391 1
1 625 . 2 1 1 A 57 57 LYS CA C 91 57.790 57.713 0.077 1
1 626 . 2 1 1 A 57 57 LYS CB C 91 31.300 32.699 -1.399 1
1 630 . 2 1 1 A 57 57 LYS N N 91 116.341 118.870 -2.529 1
1 631 . 2 1 1 A 58 58 LEU H H 92 7.580 7.758 -0.178 1
1 632 . 2 1 1 A 58 58 LEU HA H 92 4.000 4.236 -0.236 1
1 642 . 2 1 1 A 58 58 LEU CA C 92 55.780 56.232 -0.452 1
1 643 . 2 1 1 A 58 58 LEU CB C 92 42.570 42.202 0.368 1
1 647 . 2 1 1 A 58 58 LEU N N 92 119.793 115.019 4.774 1
1 648 . 2 1 1 A 59 59 ALA H H 93 8.157 7.770 0.387 1
1 649 . 2 1 1 A 59 59 ALA HA H 93 4.130 4.302 -0.172 1
1 653 . 2 1 1 A 59 59 ALA CA C 93 52.400 54.350 -1.950 1
1 654 . 2 1 1 A 59 59 ALA CB C 93 17.560 19.010 -1.450 1
1 655 . 2 1 1 A 59 59 ALA N N 93 120.126 121.761 -1.635 1
1 656 . 2 1 1 A 60 60 ASP H H 94 7.499 8.100 -0.601 1
1 657 . 2 1 1 A 60 60 ASP HA H 94 4.550 4.412 0.138 1
1 660 . 2 1 1 A 60 60 ASP CA C 94 50.380 53.047 -2.667 1
1 661 . 2 1 1 A 60 60 ASP CB C 94 35.220 38.938 -3.718 1
1 662 . 2 1 1 A 60 60 ASP N N 94 115.431 116.872 -1.441 1
1 663 . 2 1 1 A 61 61 VAL H H 95 8.352 8.080 0.272 1
1 664 . 2 1 1 A 61 61 VAL HA H 95 3.510 3.563 -0.053 1
1 672 . 2 1 1 A 61 61 VAL CA C 95 64.360 64.732 -0.372 1
1 673 . 2 1 1 A 61 61 VAL CB C 95 31.330 31.131 0.199 1
1 676 . 2 1 1 A 61 61 VAL N N 95 129.573 122.791 6.782 1
1 677 . 2 1 1 A 62 62 ASP H H 96 7.927 8.066 -0.139 1
1 678 . 2 1 1 A 62 62 ASP HA H 96 4.540 4.609 -0.069 1
1 681 . 2 1 1 A 62 62 ASP CA C 96 51.630 56.047 -4.417 1
1 682 . 2 1 1 A 62 62 ASP CB C 96 38.300 41.432 -3.132 1
1 683 . 2 1 1 A 62 62 ASP N N 96 115.789 120.711 -4.922 1
1 684 . 2 1 1 A 63 63 LYS H H 97 7.551 7.556 -0.005 1
1 685 . 2 1 1 A 63 63 LYS HA H 97 3.880 4.216 -0.336 1
1 694 . 2 1 1 A 63 63 LYS CA C 97 56.450 57.318 -0.868 1
1 695 . 2 1 1 A 63 63 LYS CB C 97 28.000 29.060 -1.060 1
1 699 . 2 1 1 A 63 63 LYS N N 97 115.740 117.420 -1.680 1
1 700 . 2 1 1 A 64 64 ASP H H 98 8.363 7.922 0.441 1
1 701 . 2 1 1 A 64 64 ASP HA H 98 4.660 4.737 -0.077 1
1 704 . 2 1 1 A 64 64 ASP CA C 98 52.060 52.928 -0.868 1
1 705 . 2 1 1 A 64 64 ASP CB C 98 39.500 40.796 -1.296 1
1 706 . 2 1 1 A 64 64 ASP N N 98 120.463 117.893 2.570 1
1 707 . 2 1 1 A 65 65 GLY H H 99 10.672 8.128 2.544 1
1 708 . 2 1 1 A 65 65 GLY HA2 H 99 3.910 4.126 -0.216 1
1 709 . 2 1 1 A 65 65 GLY HA3 H 99 4.320 4.418 -0.098 1
1 710 . 2 1 1 A 65 65 GLY CA C 99 45.160 46.453 -1.293 1
1 711 . 2 1 1 A 65 65 GLY N N 99 115.823 110.911 4.912 1
1 712 . 2 1 1 A 66 66 LEU H H 100 8.127 7.772 0.355 1
1 713 . 2 1 1 A 66 66 LEU HA H 100 5.150 5.008 0.142 1
1 723 . 2 1 1 A 66 66 LEU CA C 100 52.200 53.307 -1.107 1
1 724 . 2 1 1 A 66 66 LEU CB C 100 44.490 45.878 -1.388 1
1 728 . 2 1 1 A 66 66 LEU N N 100 123.135 120.943 2.192 1
1 729 . 2 1 1 A 67 67 LEU H H 101 8.729 9.241 -0.512 1
1 730 . 2 1 1 A 67 67 LEU HA H 101 5.810 5.005 0.805 1
1 740 . 2 1 1 A 67 67 LEU CA C 101 51.600 53.606 -2.006 1
1 741 . 2 1 1 A 67 67 LEU CB C 101 42.100 43.055 -0.955 1
1 745 . 2 1 1 A 67 67 LEU N N 101 121.189 123.382 -2.193 1
1 746 . 2 1 1 A 68 68 ASP H H 102 9.236 8.471 0.765 1
1 747 . 2 1 1 A 68 68 ASP HA H 102 5.620 4.867 0.753 1
1 750 . 2 1 1 A 68 68 ASP CA C 102 51.160 54.203 -3.043 1
1 751 . 2 1 1 A 68 68 ASP CB C 102 39.750 41.934 -2.184 1
1 752 . 2 1 1 A 68 68 ASP N N 102 124.386 125.040 -0.654 1
1 753 . 2 1 1 A 69 69 ASP H H 103 8.539 8.751 -0.212 1
1 754 . 2 1 1 A 69 69 ASP HA H 103 2.830 3.709 -0.879 1
1 757 . 2 1 1 A 69 69 ASP CA C 103 56.160 56.141 0.019 1
1 758 . 2 1 1 A 69 69 ASP CB C 103 37.160 39.383 -2.223 1
1 759 . 2 1 1 A 69 69 ASP N N 103 117.423 121.082 -3.659 1
1 760 . 2 1 1 A 70 70 GLU H H 104 7.997 8.178 -0.181 1
1 761 . 2 1 1 A 70 70 GLU HA H 104 4.075 4.394 -0.319 1
1 766 . 2 1 1 A 70 70 GLU CA C 104 58.950 59.538 -0.588 1
1 767 . 2 1 1 A 70 70 GLU CB C 104 29.134 29.295 -0.161 1
1 769 . 2 1 1 A 70 70 GLU N N 104 124.895 120.574 4.321 1
1 770 . 2 1 1 A 71 71 GLU H H 105 8.742 8.249 0.493 1
1 771 . 2 1 1 A 71 71 GLU HA H 105 4.048 4.159 -0.111 1
1 776 . 2 1 1 A 71 71 GLU CA C 105 58.570 58.978 -0.408 1
1 777 . 2 1 1 A 71 71 GLU CB C 105 30.270 29.564 0.706 1
1 779 . 2 1 1 A 71 71 GLU N N 105 123.465 119.651 3.814 1
1 780 . 2 1 1 A 72 72 PHE H H 106 9.426 8.906 0.520 1
1 781 . 2 1 1 A 72 72 PHE HA H 106 4.260 4.152 0.108 1
1 789 . 2 1 1 A 72 72 PHE CA C 106 60.000 61.684 -1.684 1
1 790 . 2 1 1 A 72 72 PHE CB C 106 38.440 39.242 -0.802 1
1 796 . 2 1 1 A 72 72 PHE N N 106 120.806 122.138 -1.332 1
1 797 . 2 1 1 A 73 73 ALA H H 107 8.097 8.341 -0.244 1
1 798 . 2 1 1 A 73 73 ALA HA H 107 3.790 4.033 -0.243 1
1 802 . 2 1 1 A 73 73 ALA CA C 107 54.010 55.360 -1.350 1
1 803 . 2 1 1 A 73 73 ALA CB C 107 16.691 18.221 -1.530 1
1 804 . 2 1 1 A 73 73 ALA N N 107 126.845 121.283 5.562 1
1 805 . 2 1 1 A 74 74 LEU H H 108 8.431 8.081 0.350 1
1 806 . 2 1 1 A 74 74 LEU HA H 108 4.065 3.763 0.302 1
1 816 . 2 1 1 A 74 74 LEU CA C 108 56.811 57.943 -1.132 1
1 817 . 2 1 1 A 74 74 LEU CB C 108 41.090 41.649 -0.559 1
1 821 . 2 1 1 A 74 74 LEU N N 108 121.250 118.768 2.482 1
1 822 . 2 1 1 A 75 75 ALA H H 109 8.663 8.355 0.308 1
1 823 . 2 1 1 A 75 75 ALA HA H 109 3.660 3.971 -0.311 1
1 827 . 2 1 1 A 75 75 ALA CA C 109 54.220 55.630 -1.410 1
1 828 . 2 1 1 A 75 75 ALA CB C 109 15.220 18.279 -3.059 1
1 829 . 2 1 1 A 75 75 ALA N N 109 122.981 121.566 1.415 1
1 830 . 2 1 1 A 76 76 ASN H H 110 7.249 7.815 -0.566 1
1 831 . 2 1 1 A 76 76 ASN HA H 110 3.800 4.125 -0.325 1
1 836 . 2 1 1 A 76 76 ASN CA C 110 55.500 55.874 -0.374 1
1 837 . 2 1 1 A 76 76 ASN CB C 110 36.610 36.728 -0.118 1
1 838 . 2 1 1 A 76 76 ASN N N 110 115.681 116.200 -0.519 1
1 840 . 2 1 1 A 77 77 HIS H H 111 8.345 7.792 0.553 1
1 841 . 2 1 1 A 77 77 HIS HA H 111 4.092 4.136 -0.044 1
1 846 . 2 1 1 A 77 77 HIS CA C 111 59.180 59.317 -0.137 1
1 847 . 2 1 1 A 77 77 HIS CB C 111 30.420 29.542 0.878 1
1 850 . 2 1 1 A 77 77 HIS N N 111 124.686 120.429 4.257 1
1 851 . 2 1 1 A 78 78 LEU H H 112 8.290 7.956 0.334 1
1 852 . 2 1 1 A 78 78 LEU HA H 112 3.830 3.781 0.049 1
1 862 . 2 1 1 A 78 78 LEU CA C 112 56.115 57.454 -1.339 1
1 863 . 2 1 1 A 78 78 LEU CB C 112 41.000 41.389 -0.389 1
1 867 . 2 1 1 A 78 78 LEU N N 112 119.085 119.114 -0.029 1
1 868 . 2 1 1 A 79 79 ILE H H 113 7.792 7.686 0.106 1
1 869 . 2 1 1 A 79 79 ILE HA H 113 3.290 3.838 -0.548 1
1 879 . 2 1 1 A 79 79 ILE CA C 113 65.020 63.738 1.282 1
1 880 . 2 1 1 A 79 79 ILE CB C 113 36.730 37.717 -0.987 1
1 884 . 2 1 1 A 79 79 ILE N N 113 121.304 120.938 0.366 1
1 885 . 2 1 1 A 80 80 LYS H H 114 7.537 8.221 -0.684 1
1 886 . 2 1 1 A 80 80 LYS HA H 114 3.830 3.953 -0.123 1
1 895 . 2 1 1 A 80 80 LYS CA C 114 58.970 59.167 -0.197 1
1 896 . 2 1 1 A 80 80 LYS CB C 114 30.470 32.183 -1.713 1
1 900 . 2 1 1 A 80 80 LYS N N 114 122.150 121.838 0.312 1
1 901 . 2 1 1 A 81 81 VAL H H 115 8.110 8.161 -0.051 1
1 902 . 2 1 1 A 81 81 VAL HA H 115 3.740 3.713 0.027 1
1 910 . 2 1 1 A 81 81 VAL CA C 115 64.500 64.639 -0.139 1
1 911 . 2 1 1 A 81 81 VAL CB C 115 30.050 30.990 -0.940 1
1 914 . 2 1 1 A 81 81 VAL N N 115 118.999 118.920 0.079 1
1 915 . 2 1 1 A 82 82 LYS H H 116 7.853 7.651 0.202 1
1 916 . 2 1 1 A 82 82 LYS HA H 116 4.550 4.206 0.344 1
1 925 . 2 1 1 A 82 82 LYS CA C 116 56.000 59.939 -3.939 1
1 926 . 2 1 1 A 82 82 LYS CB C 116 30.340 32.229 -1.889 1
1 930 . 2 1 1 A 82 82 LYS N N 116 123.030 122.923 0.107 1
1 931 . 2 1 1 A 83 83 LEU H H 117 8.959 8.268 0.691 1
1 932 . 2 1 1 A 83 83 LEU HA H 117 4.090 4.051 0.039 1
1 942 . 2 1 1 A 83 83 LEU CA C 117 56.620 57.828 -1.208 1
1 943 . 2 1 1 A 83 83 LEU CB C 117 40.361 42.090 -1.729 1
1 947 . 2 1 1 A 83 83 LEU N N 117 125.378 120.746 4.632 1
1 948 . 2 1 1 A 84 84 GLU H H 118 7.817 8.125 -0.308 1
1 949 . 2 1 1 A 84 84 GLU HA H 118 4.164 4.391 -0.227 1
1 954 . 2 1 1 A 84 84 GLU CA C 118 55.600 56.462 -0.862 1
1 955 . 2 1 1 A 84 84 GLU CB C 118 28.600 29.943 -1.343 1
1 957 . 2 1 1 A 84 84 GLU N N 118 119.766 115.868 3.898 1
1 958 . 2 1 1 A 85 85 GLY H H 119 7.862 8.401 -0.539 1
1 959 . 2 1 1 A 85 85 GLY HA2 H 119 3.650 3.800 -0.150 1
1 960 . 2 1 1 A 85 85 GLY HA3 H 119 4.140 3.857 0.283 1
1 961 . 2 1 1 A 85 85 GLY CA C 119 43.690 45.982 -2.292 1
1 962 . 2 1 1 A 85 85 GLY N N 119 107.902 108.388 -0.486 1
1 963 . 2 1 1 A 86 86 HIS H H 120 7.714 7.701 0.013 1
1 964 . 2 1 1 A 86 86 HIS HA H 120 4.680 5.034 -0.354 1
1 969 . 2 1 1 A 86 86 HIS CA C 120 53.900 55.028 -1.128 1
1 970 . 2 1 1 A 86 86 HIS CB C 120 29.390 34.067 -4.677 1
1 972 . 2 1 1 A 86 86 HIS N N 120 122.124 116.629 5.495 1
1 973 . 2 1 1 A 87 87 GLU H H 121 8.491 8.871 -0.380 1
1 974 . 2 1 1 A 87 87 GLU HA H 121 4.310 4.903 -0.593 1
1 979 . 2 1 1 A 87 87 GLU CA C 121 54.000 54.792 -0.792 1
1 980 . 2 1 1 A 87 87 GLU CB C 121 29.120 33.217 -4.097 1
1 982 . 2 1 1 A 87 87 GLU N N 121 121.826 119.888 1.938 1
1 983 . 2 1 1 A 88 88 LEU H H 122 8.672 8.907 -0.235 1
1 984 . 2 1 1 A 88 88 LEU HA H 122 4.420 5.022 -0.602 1
1 994 . 2 1 1 A 88 88 LEU CA C 122 50.777 52.282 -1.505 1
1 995 . 2 1 1 A 88 88 LEU CB C 122 39.986 42.831 -2.845 1
1 999 . 2 1 1 A 88 88 LEU N N 122 125.316 122.065 3.251 1
1 1000 . 2 1 1 A 89 89 PRO HA H 123 4.570 4.492 0.078 1
1 1007 . 2 1 1 A 89 89 PRO CA C 123 60.690 63.640 -2.950 1
1 1008 . 2 1 1 A 89 89 PRO CB C 123 30.320 32.723 -2.403 1
1 1011 . 2 1 1 A 90 90 ALA H H 124 8.451 7.946 0.505 1
1 1012 . 2 1 1 A 90 90 ALA HA H 124 4.080 3.927 0.153 1
1 1016 . 2 1 1 A 90 90 ALA CA C 124 52.700 53.324 -0.624 1
1 1017 . 2 1 1 A 90 90 ALA CB C 124 17.760 17.480 0.280 1
1 1018 . 2 1 1 A 90 90 ALA N N 124 123.603 119.821 3.782 1
1 1019 . 2 1 1 A 91 91 ASP H H 125 7.473 7.805 -0.332 1
1 1020 . 2 1 1 A 91 91 ASP HA H 125 4.640 5.154 -0.514 1
1 1023 . 2 1 1 A 91 91 ASP CA C 125 50.340 52.691 -2.351 1
1 1024 . 2 1 1 A 91 91 ASP CB C 125 42.620 44.651 -2.031 1
1 1025 . 2 1 1 A 91 91 ASP N N 125 115.317 115.974 -0.657 1
1 1026 . 2 1 1 A 92 92 LEU H H 126 8.883 8.959 -0.076 1
1 1027 . 2 1 1 A 92 92 LEU HA H 126 4.200 4.964 -0.764 1
1 1037 . 2 1 1 A 92 92 LEU CA C 126 51.930 51.437 0.493 1
1 1038 . 2 1 1 A 92 92 LEU CB C 126 41.032 43.745 -2.713 1
1 1042 . 2 1 1 A 92 92 LEU N N 126 125.329 122.134 3.195 1
1 1043 . 2 1 1 A 93 93 PRO HA H 127 4.870 4.493 0.377 1
1 1050 . 2 1 1 A 93 93 PRO CA C 127 59.820 62.005 -2.185 1
1 1051 . 2 1 1 A 93 93 PRO CB C 127 29.800 32.382 -2.582 1
1 1054 . 2 1 1 A 94 94 PRO HA H 128 4.230 4.196 0.034 1
1 1061 . 2 1 1 A 94 94 PRO CA C 128 64.560 65.233 -0.673 1
1 1062 . 2 1 1 A 94 94 PRO CB C 128 30.900 31.782 -0.882 1
1 1065 . 2 1 1 A 95 95 HIS H H 129 7.922 8.034 -0.112 1
1 1066 . 2 1 1 A 95 95 HIS HA H 129 4.650 4.571 0.079 1
1 1071 . 2 1 1 A 95 95 HIS CA C 129 56.810 55.832 0.978 1
1 1072 . 2 1 1 A 95 95 HIS CB C 129 28.100 30.367 -2.267 1
1 1075 . 2 1 1 A 95 95 HIS N N 129 112.757 114.757 -2.000 1
1 1076 . 2 1 1 A 96 96 LEU H H 130 7.709 7.844 -0.135 1
1 1077 . 2 1 1 A 96 96 LEU HA H 130 4.646 4.367 0.279 1
1 1087 . 2 1 1 A 96 96 LEU CA C 130 53.100 55.168 -2.068 1
1 1088 . 2 1 1 A 96 96 LEU CB C 130 42.210 42.914 -0.704 1
1 1092 . 2 1 1 A 96 96 LEU N N 130 121.128 119.315 1.813 1
1 1093 . 2 1 1 A 97 97 VAL H H 131 7.184 7.309 -0.125 1
1 1094 . 2 1 1 A 97 97 VAL HA H 131 3.730 4.562 -0.832 1
1 1102 . 2 1 1 A 97 97 VAL CA C 131 60.520 60.540 -0.020 1
1 1103 . 2 1 1 A 97 97 VAL CB C 131 31.310 32.621 -1.311 1
1 1106 . 2 1 1 A 97 97 VAL N N 131 125.572 121.737 3.835 1
1 1107 . 2 1 1 A 98 98 PRO HA H 132 2.700 4.440 -1.740 1
1 1114 . 2 1 1 A 98 98 PRO CA C 132 59.400 61.525 -2.125 1
1 1115 . 2 1 1 A 98 98 PRO CB C 132 30.250 32.178 -1.928 1
1 1118 . 2 1 1 A 99 99 PRO HA H 133 3.620 4.338 -0.718 1
1 1125 . 2 1 1 A 99 99 PRO CA C 133 64.760 64.439 0.321 1
1 1126 . 2 1 1 A 99 99 PRO CB C 133 30.770 31.774 -1.004 1
1 1129 . 2 1 1 A 100 100 SER H H 134 9.195 8.138 1.057 1
1 1130 . 2 1 1 A 100 100 SER HA H 134 4.150 4.194 -0.044 1
1 1133 . 2 1 1 A 100 100 SER CA C 134 59.660 60.913 -1.253 1
1 1134 . 2 1 1 A 100 100 SER CB C 134 61.320 63.158 -1.838 1
1 1135 . 2 1 1 A 100 100 SER N N 134 115.005 113.680 1.325 1
1 1136 . 2 1 1 A 101 101 LYS H H 135 7.867 7.492 0.375 1
1 1137 . 2 1 1 A 101 101 LYS HA H 135 4.480 4.489 -0.009 1
1 1146 . 2 1 1 A 101 101 LYS CA C 135 52.490 56.023 -3.533 1
1 1147 . 2 1 1 A 101 101 LYS CB C 135 30.600 33.494 -2.894 1
1 1151 . 2 1 1 A 101 101 LYS N N 135 121.053 119.041 2.012 1
1 1152 . 2 1 1 A 102 102 ARG H H 136 7.077 7.427 -0.350 1
1 1153 . 2 1 1 A 102 102 ARG HA H 136 4.110 4.732 -0.622 1
1 1164 . 2 1 1 A 102 102 ARG CA C 136 55.440 55.329 0.111 1
1 1165 . 2 1 1 A 102 102 ARG CB C 136 29.100 31.652 -2.552 1
1 1168 . 2 1 1 A 102 102 ARG N N 136 121.939 117.307 4.632 1
1 1169 . 2 1 1 A 103 103 ARG H H 137 8.289 8.502 -0.213 1
1 1170 . 2 1 1 A 103 103 ARG HA H 137 4.300 4.386 -0.086 1
1 1181 . 2 1 1 A 103 103 ARG CA C 137 54.100 56.789 -2.689 1
1 1182 . 2 1 1 A 103 103 ARG CB C 137 29.700 31.042 -1.342 1
1 1185 . 2 1 1 A 103 103 ARG N N 137 123.504 124.012 -0.508 1
1 1186 . 2 1 1 A 104 104 HIS H H 138 8.370 8.726 -0.356 1
1 1187 . 2 1 1 A 104 104 HIS HA H 138 4.678 5.238 -0.560 1
1 1192 . 2 1 1 A 104 104 HIS CA C 138 54.110 54.289 -0.179 1
1 1193 . 2 1 1 A 104 104 HIS CB C 138 28.730 32.448 -3.718 1
1 1 . 3 1 1 A 7 7 ASP H H 41 8.479 8.863 -0.384 1
1 2 . 3 1 1 A 7 7 ASP HA H 41 4.650 5.132 -0.482 1
1 5 . 3 1 1 A 7 7 ASP CA C 41 53.120 54.010 -0.890 1
1 6 . 3 1 1 A 7 7 ASP CB C 41 39.840 42.356 -2.516 1
1 7 . 3 1 1 A 7 7 ASP N N 41 124.447 124.850 -0.403 1
1 8 . 3 1 1 A 8 8 VAL H H 42 7.916 8.856 -0.940 1
1 9 . 3 1 1 A 8 8 VAL HA H 42 4.150 4.887 -0.737 1
1 17 . 3 1 1 A 8 8 VAL CA C 42 60.500 59.932 0.568 1
1 18 . 3 1 1 A 8 8 VAL CB C 42 31.540 34.454 -2.914 1
1 21 . 3 1 1 A 8 8 VAL N N 42 120.853 122.026 -1.173 1
1 22 . 3 1 1 A 9 9 GLU H H 43 8.476 8.936 -0.460 1
1 23 . 3 1 1 A 9 9 GLU HA H 43 4.300 4.616 -0.316 1
1 28 . 3 1 1 A 9 9 GLU CA C 43 55.400 55.786 -0.386 1
1 29 . 3 1 1 A 9 9 GLU CB C 43 29.120 28.761 0.359 1
1 31 . 3 1 1 A 9 9 GLU N N 43 127.650 127.101 0.549 1
1 32 . 3 1 1 A 10 10 TRP H H 44 8.839 8.692 0.147 1
1 33 . 3 1 1 A 10 10 TRP HA H 44 5.240 5.187 0.053 1
1 42 . 3 1 1 A 10 10 TRP CA C 44 54.290 55.676 -1.386 1
1 43 . 3 1 1 A 10 10 TRP CB C 44 27.330 29.125 -1.795 1
1 49 . 3 1 1 A 10 10 TRP N N 44 126.406 128.340 -1.934 1
1 50 . 3 1 1 A 11 11 VAL H H 45 9.230 7.797 1.433 1
1 51 . 3 1 1 A 11 11 VAL HA H 45 3.900 3.732 0.168 1
1 59 . 3 1 1 A 11 11 VAL CA C 45 63.500 64.651 -1.151 1
1 60 . 3 1 1 A 11 11 VAL CB C 45 30.420 31.225 -0.805 1
1 63 . 3 1 1 A 11 11 VAL N N 45 131.353 125.685 5.668 1
1 64 . 3 1 1 A 12 12 VAL H H 46 5.020 6.952 -1.932 1
1 65 . 3 1 1 A 12 12 VAL HA H 46 3.050 3.095 -0.045 1
1 73 . 3 1 1 A 12 12 VAL CA C 46 60.540 65.547 -5.007 1
1 74 . 3 1 1 A 12 12 VAL CB C 46 29.280 30.262 -0.982 1
1 77 . 3 1 1 A 13 13 GLY H H 47 7.330 8.101 -0.771 1
1 78 . 3 1 1 A 13 13 GLY HA2 H 47 3.600 4.073 -0.473 1
1 79 . 3 1 1 A 13 13 GLY HA3 H 47 4.194 4.179 0.015 1
1 80 . 3 1 1 A 13 13 GLY CA C 47 46.400 45.782 0.618 1
1 81 . 3 1 1 A 14 14 LYS H H 48 7.581 7.859 -0.278 1
1 82 . 3 1 1 A 14 14 LYS HA H 48 4.077 4.210 -0.133 1
1 91 . 3 1 1 A 14 14 LYS CA C 48 57.420 57.964 -0.544 1
1 92 . 3 1 1 A 14 14 LYS CB C 48 30.490 33.177 -2.687 1
1 96 . 3 1 1 A 14 14 LYS N N 48 121.084 119.274 1.810 1
1 97 . 3 1 1 A 15 15 ASP H H 49 7.309 7.564 -0.255 1
1 98 . 3 1 1 A 15 15 ASP HA H 49 4.770 4.939 -0.169 1
1 101 . 3 1 1 A 15 15 ASP CA C 49 52.880 52.763 0.117 1
1 102 . 3 1 1 A 15 15 ASP CB C 49 41.910 41.716 0.194 1
1 103 . 3 1 1 A 15 15 ASP N N 49 118.181 120.065 -1.884 1
1 104 . 3 1 1 A 16 16 LYS H H 50 7.506 7.835 -0.329 1
1 105 . 3 1 1 A 16 16 LYS HA H 50 4.068 4.420 -0.352 1
1 114 . 3 1 1 A 16 16 LYS CA C 50 60.180 61.570 -1.390 1
1 115 . 3 1 1 A 16 16 LYS CB C 50 30.193 30.306 -0.113 1
1 119 . 3 1 1 A 16 16 LYS N N 50 123.633 122.995 0.638 1
1 120 . 3 1 1 A 17 17 PRO HA H 51 4.440 4.425 0.015 1
1 127 . 3 1 1 A 17 17 PRO CA C 51 65.660 65.452 0.208 1
1 128 . 3 1 1 A 17 17 PRO CB C 51 29.600 31.316 -1.716 1
1 131 . 3 1 1 A 18 18 THR H H 52 7.280 7.229 0.051 1
1 132 . 3 1 1 A 18 18 THR HA H 52 3.980 3.998 -0.018 1
1 137 . 3 1 1 A 18 18 THR CA C 52 64.440 65.280 -0.840 1
1 138 . 3 1 1 A 18 18 THR CB C 52 67.210 68.049 -0.839 1
1 140 . 3 1 1 A 18 18 THR N N 52 115.095 111.829 3.266 1
1 141 . 3 1 1 A 19 19 TYR H H 53 7.083 7.565 -0.482 1
1 142 . 3 1 1 A 19 19 TYR HA H 53 4.728 4.333 0.395 1
1 149 . 3 1 1 A 19 19 TYR CA C 53 57.110 61.982 -4.872 1
1 150 . 3 1 1 A 19 19 TYR CB C 53 35.170 37.063 -1.893 1
1 155 . 3 1 1 A 19 19 TYR N N 53 125.380 119.585 5.795 1
1 156 . 3 1 1 A 20 20 ASP H H 54 9.588 8.807 0.781 1
1 157 . 3 1 1 A 20 20 ASP HA H 54 4.520 4.595 -0.075 1
1 160 . 3 1 1 A 20 20 ASP CA C 54 55.515 57.864 -2.349 1
1 161 . 3 1 1 A 20 20 ASP CB C 54 38.740 41.449 -2.709 1
1 162 . 3 1 1 A 20 20 ASP N N 54 124.548 121.946 2.602 1
1 163 . 3 1 1 A 21 21 GLU H H 55 7.309 8.332 -1.023 1
1 164 . 3 1 1 A 21 21 GLU HA H 55 4.140 4.155 -0.015 1
1 169 . 3 1 1 A 21 21 GLU CA C 55 58.100 59.201 -1.101 1
1 170 . 3 1 1 A 21 21 GLU CB C 55 28.400 29.654 -1.254 1
1 172 . 3 1 1 A 21 21 GLU N N 55 118.181 119.475 -1.294 1
1 173 . 3 1 1 A 22 22 ILE H H 56 7.249 8.072 -0.823 1
1 174 . 3 1 1 A 22 22 ILE HA H 56 3.946 4.000 -0.054 1
1 184 . 3 1 1 A 22 22 ILE CA C 56 62.400 65.760 -3.360 1
1 185 . 3 1 1 A 22 22 ILE CB C 56 37.597 38.196 -0.599 1
1 189 . 3 1 1 A 22 22 ILE N N 56 118.978 120.230 -1.252 1
1 190 . 3 1 1 A 23 23 PHE H H 57 9.117 8.824 0.293 1
1 191 . 3 1 1 A 23 23 PHE HA H 57 3.100 4.159 -1.059 1
1 199 . 3 1 1 A 23 23 PHE CA C 57 61.330 61.766 -0.436 1
1 200 . 3 1 1 A 23 23 PHE CB C 57 38.250 39.467 -1.217 1
1 206 . 3 1 1 A 23 23 PHE N N 57 127.639 121.264 6.375 1
1 207 . 3 1 1 A 24 24 TYR H H 58 7.903 8.733 -0.830 1
1 208 . 3 1 1 A 24 24 TYR HA H 58 4.000 4.438 -0.438 1
1 215 . 3 1 1 A 24 24 TYR CA C 58 60.480 61.441 -0.961 1
1 216 . 3 1 1 A 24 24 TYR CB C 58 36.086 38.149 -2.063 1
1 221 . 3 1 1 A 24 24 TYR N N 58 112.757 116.693 -3.936 1
1 222 . 3 1 1 A 25 25 THR H H 59 8.081 7.997 0.084 1
1 223 . 3 1 1 A 25 25 THR HA H 59 4.650 4.385 0.265 1
1 229 . 3 1 1 A 25 25 THR CA C 59 61.770 63.653 -1.883 1
1 230 . 3 1 1 A 25 25 THR CB C 59 68.700 69.250 -0.550 1
1 232 . 3 1 1 A 25 25 THR N N 59 112.676 113.098 -0.422 1
1 233 . 3 1 1 A 26 26 LEU H H 60 7.373 7.362 0.011 1
1 234 . 3 1 1 A 26 26 LEU HA H 60 4.470 4.338 0.132 1
1 244 . 3 1 1 A 26 26 LEU CA C 60 52.330 54.118 -1.788 1
1 245 . 3 1 1 A 26 26 LEU CB C 60 38.700 41.947 -3.247 1
1 249 . 3 1 1 A 26 26 LEU N N 60 125.808 120.858 4.950 1
1 250 . 3 1 1 A 27 27 SER H H 61 7.860 7.620 0.240 1
1 251 . 3 1 1 A 27 27 SER HA H 61 3.990 4.202 -0.212 1
1 254 . 3 1 1 A 27 27 SER CA C 61 56.300 58.497 -2.197 1
1 255 . 3 1 1 A 27 27 SER CB C 61 60.230 61.833 -1.603 1
1 256 . 3 1 1 A 27 27 SER N N 61 111.582 113.154 -1.572 1
1 257 . 3 1 1 A 28 28 PRO HA H 62 4.210 4.447 -0.237 1
1 264 . 3 1 1 A 28 28 PRO CA C 62 61.600 62.244 -0.644 1
1 265 . 3 1 1 A 28 28 PRO CB C 62 29.890 31.495 -1.605 1
1 268 . 3 1 1 A 29 29 VAL H H 63 8.750 8.188 0.562 1
1 269 . 3 1 1 A 29 29 VAL HA H 63 4.180 4.253 -0.073 1
1 277 . 3 1 1 A 29 29 VAL CA C 63 60.660 61.582 -0.922 1
1 278 . 3 1 1 A 29 29 VAL CB C 63 32.878 32.029 0.849 1
1 281 . 3 1 1 A 29 29 VAL N N 63 124.299 123.421 0.878 1
1 282 . 3 1 1 A 30 30 ASN H H 64 9.713 9.502 0.211 1
1 283 . 3 1 1 A 30 30 ASN HA H 64 4.420 4.459 -0.039 1
1 288 . 3 1 1 A 30 30 ASN CA C 64 52.940 54.494 -1.554 1
1 289 . 3 1 1 A 30 30 ASN CB C 64 36.300 36.987 -0.687 1
1 290 . 3 1 1 A 30 30 ASN N N 64 129.729 127.513 2.216 1
1 292 . 3 1 1 A 31 31 GLY H H 65 8.862 8.621 0.241 1
1 293 . 3 1 1 A 31 31 GLY HA2 H 65 3.760 3.874 -0.114 1
1 294 . 3 1 1 A 31 31 GLY HA3 H 65 4.260 3.887 0.373 1
1 295 . 3 1 1 A 31 31 GLY CA C 65 44.260 45.507 -1.247 1
1 296 . 3 1 1 A 31 31 GLY N N 65 130.591 104.697 25.894 1
1 297 . 3 1 1 A 32 32 LYS H H 66 7.501 7.485 0.016 1
1 298 . 3 1 1 A 32 32 LYS HA H 66 5.420 5.290 0.130 1
1 307 . 3 1 1 A 32 32 LYS CA C 66 53.900 55.173 -1.273 1
1 308 . 3 1 1 A 32 32 LYS CB C 66 36.200 35.836 0.364 1
1 312 . 3 1 1 A 32 32 LYS N N 66 118.738 120.116 -1.378 1
1 313 . 3 1 1 A 33 33 ILE H H 67 9.230 8.612 0.618 1
1 314 . 3 1 1 A 33 33 ILE HA H 67 5.030 4.620 0.410 1
1 324 . 3 1 1 A 33 33 ILE CA C 67 57.470 59.259 -1.789 1
1 325 . 3 1 1 A 33 33 ILE CB C 67 39.880 39.391 0.489 1
1 329 . 3 1 1 A 33 33 ILE N N 67 118.166 120.969 -2.803 1
1 330 . 3 1 1 A 34 34 THR H H 68 8.242 8.401 -0.159 1
1 331 . 3 1 1 A 34 34 THR HA H 68 4.560 4.717 -0.157 1
1 337 . 3 1 1 A 34 34 THR CA C 68 58.970 60.310 -1.340 1
1 338 . 3 1 1 A 34 34 THR CB C 68 69.910 71.245 -1.335 1
1 340 . 3 1 1 A 34 34 THR N N 68 111.971 114.123 -2.152 1
1 341 . 3 1 1 A 35 35 GLY H H 69 8.987 8.922 0.065 1
1 342 . 3 1 1 A 35 35 GLY HA2 H 69 3.530 3.805 -0.275 1
1 343 . 3 1 1 A 35 35 GLY HA3 H 69 3.830 4.089 -0.259 1
1 344 . 3 1 1 A 35 35 GLY CA C 69 46.900 46.673 0.227 1
1 345 . 3 1 1 A 35 35 GLY N N 69 110.332 109.438 0.894 1
1 346 . 3 1 1 A 36 36 ALA H H 70 8.289 7.946 0.343 1
1 347 . 3 1 1 A 36 36 ALA HA H 70 3.890 3.950 -0.060 1
1 351 . 3 1 1 A 36 36 ALA CA C 70 53.830 54.742 -0.912 1
1 352 . 3 1 1 A 36 36 ALA CB C 70 16.900 18.630 -1.730 1
1 353 . 3 1 1 A 36 36 ALA N N 70 123.588 123.766 -0.178 1
1 354 . 3 1 1 A 37 37 ASN H H 71 7.550 8.228 -0.678 1
1 355 . 3 1 1 A 37 37 ASN HA H 71 4.690 4.480 0.210 1
1 360 . 3 1 1 A 37 37 ASN CA C 71 54.000 55.818 -1.818 1
1 361 . 3 1 1 A 37 37 ASN CB C 71 36.300 37.378 -1.078 1
1 362 . 3 1 1 A 37 37 ASN N N 71 118.594 115.748 2.846 1
1 364 . 3 1 1 A 38 38 ALA H H 72 8.825 8.091 0.734 1
1 365 . 3 1 1 A 38 38 ALA HA H 72 4.110 4.075 0.035 1
1 369 . 3 1 1 A 38 38 ALA CA C 72 54.340 55.615 -1.275 1
1 370 . 3 1 1 A 38 38 ALA CB C 72 17.970 18.717 -0.747 1
1 371 . 3 1 1 A 38 38 ALA N N 72 123.885 121.892 1.993 1
1 372 . 3 1 1 A 39 39 LYS H H 73 8.798 8.040 0.758 1
1 373 . 3 1 1 A 39 39 LYS HA H 73 3.940 3.982 -0.042 1
1 382 . 3 1 1 A 39 39 LYS CA C 73 59.000 59.395 -0.395 1
1 383 . 3 1 1 A 39 39 LYS CB C 73 30.880 31.992 -1.112 1
1 387 . 3 1 1 A 39 39 LYS N N 73 120.109 118.544 1.565 1
1 388 . 3 1 1 A 40 40 LYS H H 74 7.295 7.909 -0.614 1
1 389 . 3 1 1 A 40 40 LYS HA H 74 3.990 3.985 0.005 1
1 398 . 3 1 1 A 40 40 LYS CA C 74 58.240 59.949 -1.709 1
1 399 . 3 1 1 A 40 40 LYS CB C 74 30.900 32.334 -1.434 1
1 403 . 3 1 1 A 40 40 LYS N N 74 118.573 118.741 -0.168 1
1 404 . 3 1 1 A 41 41 GLU H H 75 7.111 8.176 -1.065 1
1 405 . 3 1 1 A 41 41 GLU HA H 75 4.450 4.135 0.315 1
1 410 . 3 1 1 A 41 41 GLU CA C 75 56.260 59.438 -3.178 1
1 411 . 3 1 1 A 41 41 GLU CB C 75 28.900 29.589 -0.689 1
1 413 . 3 1 1 A 41 41 GLU N N 75 117.503 119.086 -1.583 1
1 414 . 3 1 1 A 42 42 MET H H 76 8.672 8.282 0.390 1
1 415 . 3 1 1 A 42 42 MET HA H 76 4.020 4.439 -0.419 1
1 423 . 3 1 1 A 42 42 MET CA C 76 58.980 59.006 -0.026 1
1 424 . 3 1 1 A 42 42 MET CB C 76 33.270 32.107 1.163 1
1 427 . 3 1 1 A 42 42 MET N N 76 121.435 118.842 2.593 1
1 428 . 3 1 1 A 43 43 VAL H H 77 8.703 7.985 0.718 1
1 429 . 3 1 1 A 43 43 VAL HA H 77 4.070 3.962 0.108 1
1 437 . 3 1 1 A 43 43 VAL CA C 77 63.490 65.319 -1.829 1
1 438 . 3 1 1 A 43 43 VAL CB C 77 30.570 31.448 -0.878 1
1 441 . 3 1 1 A 43 43 VAL N N 77 117.135 115.024 2.111 1
1 442 . 3 1 1 A 44 44 LYS H H 78 7.475 8.003 -0.528 1
1 443 . 3 1 1 A 44 44 LYS HA H 78 4.130 4.180 -0.050 1
1 452 . 3 1 1 A 44 44 LYS CA C 78 57.760 59.242 -1.482 1
1 453 . 3 1 1 A 44 44 LYS CB C 78 30.990 31.885 -0.895 1
1 457 . 3 1 1 A 44 44 LYS N N 78 124.308 122.094 2.214 1
1 458 . 3 1 1 A 45 45 SER H H 79 7.534 7.852 -0.318 1
1 459 . 3 1 1 A 45 45 SER HA H 79 4.080 4.456 -0.376 1
1 462 . 3 1 1 A 45 45 SER CA C 79 59.440 60.930 -1.490 1
1 463 . 3 1 1 A 45 45 SER CB C 79 64.580 63.367 1.213 1
1 464 . 3 1 1 A 45 45 SER N N 79 114.575 114.279 0.296 1
1 465 . 3 1 1 A 46 46 LYS H H 80 7.822 7.852 -0.030 1
1 466 . 3 1 1 A 46 46 LYS HA H 80 3.940 3.820 0.120 1
1 475 . 3 1 1 A 46 46 LYS CA C 80 57.020 57.348 -0.328 1
1 476 . 3 1 1 A 46 46 LYS CB C 80 27.840 29.066 -1.226 1
1 480 . 3 1 1 A 46 46 LYS N N 80 114.855 117.447 -2.592 1
1 481 . 3 1 1 A 47 47 LEU H H 81 7.486 7.873 -0.387 1
1 482 . 3 1 1 A 47 47 LEU HA H 81 4.490 4.601 -0.111 1
1 492 . 3 1 1 A 47 47 LEU CA C 81 52.000 52.577 -0.577 1
1 493 . 3 1 1 A 47 47 LEU CB C 81 40.400 41.672 -1.272 1
1 497 . 3 1 1 A 47 47 LEU N N 81 122.848 119.527 3.321 1
1 498 . 3 1 1 A 48 48 PRO HA H 82 4.520 4.583 -0.063 1
1 505 . 3 1 1 A 48 48 PRO CA C 82 60.910 62.781 -1.871 1
1 506 . 3 1 1 A 48 48 PRO CB C 82 31.550 32.767 -1.217 1
1 509 . 3 1 1 A 49 49 ASN H H 83 7.580 8.694 -1.114 1
1 510 . 3 1 1 A 49 49 ASN HA H 83 4.270 4.408 -0.138 1
1 515 . 3 1 1 A 49 49 ASN CA C 83 56.000 56.139 -0.139 1
1 516 . 3 1 1 A 49 49 ASN CB C 83 36.900 38.148 -1.248 1
1 518 . 3 1 1 A 50 50 THR H H 84 7.260 8.048 -0.788 1
1 519 . 3 1 1 A 50 50 THR HA H 84 4.020 3.944 0.076 1
1 524 . 3 1 1 A 50 50 THR CA C 84 63.474 67.238 -3.764 1
1 525 . 3 1 1 A 50 50 THR CB C 84 66.850 68.894 -2.044 1
1 527 . 3 1 1 A 51 51 VAL H H 85 6.887 8.131 -1.244 1
1 528 . 3 1 1 A 51 51 VAL HA H 85 3.660 3.654 0.006 1
1 536 . 3 1 1 A 51 51 VAL CA C 85 64.300 67.240 -2.940 1
1 537 . 3 1 1 A 51 51 VAL CB C 85 30.500 31.726 -1.226 1
1 540 . 3 1 1 A 51 51 VAL N N 85 125.031 121.954 3.077 1
1 541 . 3 1 1 A 52 52 LEU H H 86 8.006 8.452 -0.446 1
1 542 . 3 1 1 A 52 52 LEU HA H 86 3.710 4.083 -0.373 1
1 552 . 3 1 1 A 52 52 LEU CA C 86 56.600 58.559 -1.959 1
1 553 . 3 1 1 A 52 52 LEU CB C 86 38.940 41.813 -2.873 1
1 557 . 3 1 1 A 52 52 LEU N N 86 121.391 120.013 1.378 1
1 558 . 3 1 1 A 53 53 GLY H H 87 8.438 8.672 -0.234 1
1 559 . 3 1 1 A 53 53 GLY HA2 H 87 3.850 3.778 0.072 1
1 560 . 3 1 1 A 53 53 GLY HA3 H 87 3.990 3.810 0.180 1
1 561 . 3 1 1 A 53 53 GLY CA C 87 46.200 47.262 -1.062 1
1 562 . 3 1 1 A 53 53 GLY N N 87 108.191 105.779 2.412 1
1 563 . 3 1 1 A 54 54 LYS H H 88 7.300 8.145 -0.845 1
1 564 . 3 1 1 A 54 54 LYS HA H 88 4.130 4.041 0.089 1
1 573 . 3 1 1 A 54 54 LYS CA C 88 57.890 59.175 -1.285 1
1 574 . 3 1 1 A 54 54 LYS CB C 88 31.000 32.138 -1.138 1
1 578 . 3 1 1 A 54 54 LYS N N 88 125.192 121.447 3.745 1
1 579 . 3 1 1 A 55 55 ILE H H 89 8.055 8.289 -0.234 1
1 580 . 3 1 1 A 55 55 ILE HA H 89 3.476 3.677 -0.201 1
1 590 . 3 1 1 A 55 55 ILE CA C 89 65.360 65.145 0.215 1
1 591 . 3 1 1 A 55 55 ILE CB C 89 36.300 37.755 -1.455 1
1 595 . 3 1 1 A 55 55 ILE N N 89 122.309 119.495 2.814 1
1 596 . 3 1 1 A 56 56 TRP H H 90 8.749 8.424 0.325 1
1 597 . 3 1 1 A 56 56 TRP HA H 90 3.880 4.188 -0.308 1
1 606 . 3 1 1 A 56 56 TRP CA C 90 60.260 60.526 -0.266 1
1 607 . 3 1 1 A 56 56 TRP CB C 90 27.660 29.745 -2.085 1
1 613 . 3 1 1 A 56 56 TRP N N 90 122.116 122.232 -0.116 1
1 615 . 3 1 1 A 57 57 LYS H H 91 7.581 8.374 -0.793 1
1 616 . 3 1 1 A 57 57 LYS HA H 91 3.910 4.130 -0.220 1
1 625 . 3 1 1 A 57 57 LYS CA C 91 57.790 58.909 -1.119 1
1 626 . 3 1 1 A 57 57 LYS CB C 91 31.300 32.169 -0.869 1
1 630 . 3 1 1 A 57 57 LYS N N 91 116.341 117.926 -1.585 1
1 631 . 3 1 1 A 58 58 LEU H H 92 7.580 7.479 0.101 1
1 632 . 3 1 1 A 58 58 LEU HA H 92 4.000 4.128 -0.128 1
1 642 . 3 1 1 A 58 58 LEU CA C 92 55.780 57.617 -1.837 1
1 643 . 3 1 1 A 58 58 LEU CB C 92 42.570 42.256 0.314 1
1 647 . 3 1 1 A 58 58 LEU N N 92 119.793 119.636 0.157 1
1 648 . 3 1 1 A 59 59 ALA H H 93 8.157 8.264 -0.107 1
1 649 . 3 1 1 A 59 59 ALA HA H 93 4.130 4.142 -0.012 1
1 653 . 3 1 1 A 59 59 ALA CA C 93 52.400 54.547 -2.147 1
1 654 . 3 1 1 A 59 59 ALA CB C 93 17.560 18.265 -0.705 1
1 655 . 3 1 1 A 59 59 ALA N N 93 120.126 121.280 -1.154 1
1 656 . 3 1 1 A 60 60 ASP H H 94 7.499 7.897 -0.398 1
1 657 . 3 1 1 A 60 60 ASP HA H 94 4.550 4.803 -0.253 1
1 660 . 3 1 1 A 60 60 ASP CA C 94 50.380 53.600 -3.220 1
1 661 . 3 1 1 A 60 60 ASP CB C 94 35.220 39.955 -4.735 1
1 662 . 3 1 1 A 60 60 ASP N N 94 115.431 117.566 -2.135 1
1 663 . 3 1 1 A 61 61 VAL H H 95 8.352 8.390 -0.038 1
1 664 . 3 1 1 A 61 61 VAL HA H 95 3.510 3.725 -0.215 1
1 672 . 3 1 1 A 61 61 VAL CA C 95 64.360 64.608 -0.248 1
1 673 . 3 1 1 A 61 61 VAL CB C 95 31.330 31.461 -0.131 1
1 676 . 3 1 1 A 61 61 VAL N N 95 129.573 123.507 6.066 1
1 677 . 3 1 1 A 62 62 ASP H H 96 7.927 7.441 0.486 1
1 678 . 3 1 1 A 62 62 ASP HA H 96 4.540 4.573 -0.033 1
1 681 . 3 1 1 A 62 62 ASP CA C 96 51.630 55.250 -3.620 1
1 682 . 3 1 1 A 62 62 ASP CB C 96 38.300 41.115 -2.815 1
1 683 . 3 1 1 A 62 62 ASP N N 96 115.789 121.090 -5.301 1
1 684 . 3 1 1 A 63 63 LYS H H 97 7.551 7.774 -0.223 1
1 685 . 3 1 1 A 63 63 LYS HA H 97 3.880 4.247 -0.367 1
1 694 . 3 1 1 A 63 63 LYS CA C 97 56.450 57.193 -0.743 1
1 695 . 3 1 1 A 63 63 LYS CB C 97 28.000 29.100 -1.100 1
1 699 . 3 1 1 A 63 63 LYS N N 97 115.740 115.121 0.619 1
1 700 . 3 1 1 A 64 64 ASP H H 98 8.363 8.341 0.022 1
1 701 . 3 1 1 A 64 64 ASP HA H 98 4.660 4.643 0.017 1
1 704 . 3 1 1 A 64 64 ASP CA C 98 52.060 53.190 -1.130 1
1 705 . 3 1 1 A 64 64 ASP CB C 98 39.500 40.162 -0.662 1
1 706 . 3 1 1 A 64 64 ASP N N 98 120.463 118.231 2.232 1
1 707 . 3 1 1 A 65 65 GLY H H 99 10.672 8.279 2.393 1
1 708 . 3 1 1 A 65 65 GLY HA2 H 99 3.910 4.114 -0.204 1
1 709 . 3 1 1 A 65 65 GLY HA3 H 99 4.320 4.422 -0.102 1
1 710 . 3 1 1 A 65 65 GLY CA C 99 45.160 46.514 -1.354 1
1 711 . 3 1 1 A 65 65 GLY N N 99 115.823 110.729 5.094 1
1 712 . 3 1 1 A 66 66 LEU H H 100 8.127 7.829 0.298 1
1 713 . 3 1 1 A 66 66 LEU HA H 100 5.150 5.035 0.115 1
1 723 . 3 1 1 A 66 66 LEU CA C 100 52.200 53.312 -1.112 1
1 724 . 3 1 1 A 66 66 LEU CB C 100 44.490 46.086 -1.596 1
1 728 . 3 1 1 A 66 66 LEU N N 100 123.135 120.817 2.318 1
1 729 . 3 1 1 A 67 67 LEU H H 101 8.729 9.017 -0.288 1
1 730 . 3 1 1 A 67 67 LEU HA H 101 5.810 5.269 0.541 1
1 740 . 3 1 1 A 67 67 LEU CA C 101 51.600 53.524 -1.924 1
1 741 . 3 1 1 A 67 67 LEU CB C 101 42.100 43.415 -1.315 1
1 745 . 3 1 1 A 67 67 LEU N N 101 121.189 122.672 -1.483 1
1 746 . 3 1 1 A 68 68 ASP H H 102 9.236 8.647 0.589 1
1 747 . 3 1 1 A 68 68 ASP HA H 102 5.620 4.847 0.773 1
1 750 . 3 1 1 A 68 68 ASP CA C 102 51.160 54.129 -2.969 1
1 751 . 3 1 1 A 68 68 ASP CB C 102 39.750 41.964 -2.214 1
1 752 . 3 1 1 A 68 68 ASP N N 102 124.386 124.679 -0.293 1
1 753 . 3 1 1 A 69 69 ASP H H 103 8.539 8.657 -0.118 1
1 754 . 3 1 1 A 69 69 ASP HA H 103 2.830 3.497 -0.667 1
1 757 . 3 1 1 A 69 69 ASP CA C 103 56.160 56.130 0.030 1
1 758 . 3 1 1 A 69 69 ASP CB C 103 37.160 39.315 -2.155 1
1 759 . 3 1 1 A 69 69 ASP N N 103 117.423 120.924 -3.501 1
1 760 . 3 1 1 A 70 70 GLU H H 104 7.997 8.035 -0.038 1
1 761 . 3 1 1 A 70 70 GLU HA H 104 4.075 4.271 -0.196 1
1 766 . 3 1 1 A 70 70 GLU CA C 104 58.950 59.511 -0.561 1
1 767 . 3 1 1 A 70 70 GLU CB C 104 29.134 29.434 -0.300 1
1 769 . 3 1 1 A 70 70 GLU N N 104 124.895 120.398 4.497 1
1 770 . 3 1 1 A 71 71 GLU H H 105 8.742 8.092 0.650 1
1 771 . 3 1 1 A 71 71 GLU HA H 105 4.048 4.057 -0.009 1
1 776 . 3 1 1 A 71 71 GLU CA C 105 58.570 59.237 -0.667 1
1 777 . 3 1 1 A 71 71 GLU CB C 105 30.270 29.429 0.841 1
1 779 . 3 1 1 A 71 71 GLU N N 105 123.465 120.381 3.084 1
1 780 . 3 1 1 A 72 72 PHE H H 106 9.426 8.761 0.665 1
1 781 . 3 1 1 A 72 72 PHE HA H 106 4.260 4.138 0.122 1
1 789 . 3 1 1 A 72 72 PHE CA C 106 60.000 61.630 -1.630 1
1 790 . 3 1 1 A 72 72 PHE CB C 106 38.440 39.481 -1.041 1
1 796 . 3 1 1 A 72 72 PHE N N 106 120.806 121.674 -0.868 1
1 797 . 3 1 1 A 73 73 ALA H H 107 8.097 7.714 0.383 1
1 798 . 3 1 1 A 73 73 ALA HA H 107 3.790 3.652 0.138 1
1 802 . 3 1 1 A 73 73 ALA CA C 107 54.010 54.490 -0.480 1
1 803 . 3 1 1 A 73 73 ALA CB C 107 16.691 18.336 -1.645 1
1 804 . 3 1 1 A 73 73 ALA N N 107 126.845 121.065 5.780 1
1 805 . 3 1 1 A 74 74 LEU H H 108 8.431 8.095 0.336 1
1 806 . 3 1 1 A 74 74 LEU HA H 108 4.065 3.788 0.277 1
1 816 . 3 1 1 A 74 74 LEU CA C 108 56.811 57.458 -0.647 1
1 817 . 3 1 1 A 74 74 LEU CB C 108 41.090 41.294 -0.204 1
1 821 . 3 1 1 A 74 74 LEU N N 108 121.250 120.389 0.861 1
1 822 . 3 1 1 A 75 75 ALA H H 109 8.663 8.538 0.125 1
1 823 . 3 1 1 A 75 75 ALA HA H 109 3.660 4.014 -0.354 1
1 827 . 3 1 1 A 75 75 ALA CA C 109 54.220 55.691 -1.471 1
1 828 . 3 1 1 A 75 75 ALA CB C 109 15.220 18.338 -3.118 1
1 829 . 3 1 1 A 75 75 ALA N N 109 122.981 121.178 1.803 1
1 830 . 3 1 1 A 76 76 ASN H H 110 7.249 8.063 -0.814 1
1 831 . 3 1 1 A 76 76 ASN HA H 110 3.800 4.317 -0.517 1
1 836 . 3 1 1 A 76 76 ASN CA C 110 55.500 56.131 -0.631 1
1 837 . 3 1 1 A 76 76 ASN CB C 110 36.610 37.651 -1.041 1
1 838 . 3 1 1 A 76 76 ASN N N 110 115.681 116.632 -0.951 1
1 840 . 3 1 1 A 77 77 HIS H H 111 8.345 7.635 0.710 1
1 841 . 3 1 1 A 77 77 HIS HA H 111 4.092 4.178 -0.086 1
1 846 . 3 1 1 A 77 77 HIS CA C 111 59.180 59.406 -0.226 1
1 847 . 3 1 1 A 77 77 HIS CB C 111 30.420 29.715 0.705 1
1 850 . 3 1 1 A 77 77 HIS N N 111 124.686 121.005 3.681 1
1 851 . 3 1 1 A 78 78 LEU H H 112 8.290 8.205 0.085 1
1 852 . 3 1 1 A 78 78 LEU HA H 112 3.830 3.861 -0.031 1
1 862 . 3 1 1 A 78 78 LEU CA C 112 56.115 57.807 -1.692 1
1 863 . 3 1 1 A 78 78 LEU CB C 112 41.000 41.251 -0.251 1
1 867 . 3 1 1 A 78 78 LEU N N 112 119.085 119.311 -0.226 1
1 868 . 3 1 1 A 79 79 ILE H H 113 7.792 8.398 -0.606 1
1 869 . 3 1 1 A 79 79 ILE HA H 113 3.290 3.485 -0.195 1
1 879 . 3 1 1 A 79 79 ILE CA C 113 65.020 65.778 -0.758 1
1 880 . 3 1 1 A 79 79 ILE CB C 113 36.730 37.979 -1.249 1
1 884 . 3 1 1 A 79 79 ILE N N 113 121.304 119.830 1.474 1
1 885 . 3 1 1 A 80 80 LYS H H 114 7.537 8.300 -0.763 1
1 886 . 3 1 1 A 80 80 LYS HA H 114 3.830 4.076 -0.246 1
1 895 . 3 1 1 A 80 80 LYS CA C 114 58.970 58.980 -0.010 1
1 896 . 3 1 1 A 80 80 LYS CB C 114 30.470 31.681 -1.211 1
1 900 . 3 1 1 A 80 80 LYS N N 114 122.150 120.690 1.460 1
1 901 . 3 1 1 A 81 81 VAL H H 115 8.110 7.927 0.183 1
1 902 . 3 1 1 A 81 81 VAL HA H 115 3.740 3.837 -0.097 1
1 910 . 3 1 1 A 81 81 VAL CA C 115 64.500 64.492 0.008 1
1 911 . 3 1 1 A 81 81 VAL CB C 115 30.050 31.160 -1.110 1
1 914 . 3 1 1 A 81 81 VAL N N 115 118.999 118.868 0.131 1
1 915 . 3 1 1 A 82 82 LYS H H 116 7.853 7.697 0.156 1
1 916 . 3 1 1 A 82 82 LYS HA H 116 4.550 4.148 0.402 1
1 925 . 3 1 1 A 82 82 LYS CA C 116 56.000 59.890 -3.890 1
1 926 . 3 1 1 A 82 82 LYS CB C 116 30.340 32.246 -1.906 1
1 930 . 3 1 1 A 82 82 LYS N N 116 123.030 122.797 0.233 1
1 931 . 3 1 1 A 83 83 LEU H H 117 8.959 7.983 0.976 1
1 932 . 3 1 1 A 83 83 LEU HA H 117 4.090 4.047 0.043 1
1 942 . 3 1 1 A 83 83 LEU CA C 117 56.620 57.743 -1.123 1
1 943 . 3 1 1 A 83 83 LEU CB C 117 40.361 41.991 -1.630 1
1 947 . 3 1 1 A 83 83 LEU N N 117 125.378 120.919 4.459 1
1 948 . 3 1 1 A 84 84 GLU H H 118 7.817 8.222 -0.405 1
1 949 . 3 1 1 A 84 84 GLU HA H 118 4.164 4.352 -0.188 1
1 954 . 3 1 1 A 84 84 GLU CA C 118 55.600 56.410 -0.810 1
1 955 . 3 1 1 A 84 84 GLU CB C 118 28.600 29.950 -1.350 1
1 957 . 3 1 1 A 84 84 GLU N N 118 119.766 115.840 3.926 1
1 958 . 3 1 1 A 85 85 GLY H H 119 7.862 8.206 -0.344 1
1 959 . 3 1 1 A 85 85 GLY HA2 H 119 3.650 3.827 -0.177 1
1 960 . 3 1 1 A 85 85 GLY HA3 H 119 4.140 3.890 0.250 1
1 961 . 3 1 1 A 85 85 GLY CA C 119 43.690 45.466 -1.776 1
1 962 . 3 1 1 A 85 85 GLY N N 119 107.902 107.931 -0.029 1
1 963 . 3 1 1 A 86 86 HIS H H 120 7.714 7.779 -0.065 1
1 964 . 3 1 1 A 86 86 HIS HA H 120 4.680 4.753 -0.073 1
1 969 . 3 1 1 A 86 86 HIS CA C 120 53.900 56.026 -2.126 1
1 970 . 3 1 1 A 86 86 HIS CB C 120 29.390 33.676 -4.286 1
1 972 . 3 1 1 A 86 86 HIS N N 120 122.124 117.728 4.396 1
1 973 . 3 1 1 A 87 87 GLU H H 121 8.491 8.966 -0.475 1
1 974 . 3 1 1 A 87 87 GLU HA H 121 4.310 5.093 -0.783 1
1 979 . 3 1 1 A 87 87 GLU CA C 121 54.000 54.522 -0.522 1
1 980 . 3 1 1 A 87 87 GLU CB C 121 29.120 33.373 -4.253 1
1 982 . 3 1 1 A 87 87 GLU N N 121 121.826 121.150 0.676 1
1 983 . 3 1 1 A 88 88 LEU H H 122 8.672 8.863 -0.191 1
1 984 . 3 1 1 A 88 88 LEU HA H 122 4.420 4.890 -0.470 1
1 994 . 3 1 1 A 88 88 LEU CA C 122 50.777 52.564 -1.787 1
1 995 . 3 1 1 A 88 88 LEU CB C 122 39.986 42.510 -2.524 1
1 999 . 3 1 1 A 88 88 LEU N N 122 125.316 124.151 1.165 1
1 1000 . 3 1 1 A 89 89 PRO HA H 123 4.570 4.435 0.135 1
1 1007 . 3 1 1 A 89 89 PRO CA C 123 60.690 63.789 -3.099 1
1 1008 . 3 1 1 A 89 89 PRO CB C 123 30.320 32.157 -1.837 1
1 1011 . 3 1 1 A 90 90 ALA H H 124 8.451 7.946 0.505 1
1 1012 . 3 1 1 A 90 90 ALA HA H 124 4.080 3.955 0.125 1
1 1016 . 3 1 1 A 90 90 ALA CA C 124 52.700 53.533 -0.833 1
1 1017 . 3 1 1 A 90 90 ALA CB C 124 17.760 17.945 -0.185 1
1 1018 . 3 1 1 A 90 90 ALA N N 124 123.603 120.209 3.394 1
1 1019 . 3 1 1 A 91 91 ASP H H 125 7.473 7.686 -0.213 1
1 1020 . 3 1 1 A 91 91 ASP HA H 125 4.640 5.122 -0.482 1
1 1023 . 3 1 1 A 91 91 ASP CA C 125 50.340 52.557 -2.217 1
1 1024 . 3 1 1 A 91 91 ASP CB C 125 42.620 44.554 -1.934 1
1 1025 . 3 1 1 A 91 91 ASP N N 125 115.317 115.764 -0.447 1
1 1026 . 3 1 1 A 92 92 LEU H H 126 8.883 9.102 -0.219 1
1 1027 . 3 1 1 A 92 92 LEU HA H 126 4.200 4.963 -0.763 1
1 1037 . 3 1 1 A 92 92 LEU CA C 126 51.930 51.402 0.528 1
1 1038 . 3 1 1 A 92 92 LEU CB C 126 41.032 43.453 -2.421 1
1 1042 . 3 1 1 A 92 92 LEU N N 126 125.329 122.471 2.858 1
1 1043 . 3 1 1 A 93 93 PRO HA H 127 4.870 4.623 0.247 1
1 1050 . 3 1 1 A 93 93 PRO CA C 127 59.820 61.709 -1.889 1
1 1051 . 3 1 1 A 93 93 PRO CB C 127 29.800 32.333 -2.533 1
1 1054 . 3 1 1 A 94 94 PRO HA H 128 4.230 4.203 0.027 1
1 1061 . 3 1 1 A 94 94 PRO CA C 128 64.560 65.182 -0.622 1
1 1062 . 3 1 1 A 94 94 PRO CB C 128 30.900 31.774 -0.874 1
1 1065 . 3 1 1 A 95 95 HIS H H 129 7.922 8.369 -0.447 1
1 1066 . 3 1 1 A 95 95 HIS HA H 129 4.650 4.622 0.028 1
1 1071 . 3 1 1 A 95 95 HIS CA C 129 56.810 55.915 0.895 1
1 1072 . 3 1 1 A 95 95 HIS CB C 129 28.100 30.158 -2.058 1
1 1075 . 3 1 1 A 95 95 HIS N N 129 112.757 114.451 -1.694 1
1 1076 . 3 1 1 A 96 96 LEU H H 130 7.709 7.721 -0.012 1
1 1077 . 3 1 1 A 96 96 LEU HA H 130 4.646 4.236 0.410 1
1 1087 . 3 1 1 A 96 96 LEU CA C 130 53.100 55.552 -2.452 1
1 1088 . 3 1 1 A 96 96 LEU CB C 130 42.210 44.250 -2.040 1
1 1092 . 3 1 1 A 96 96 LEU N N 130 121.128 119.072 2.056 1
1 1093 . 3 1 1 A 97 97 VAL H H 131 7.184 7.449 -0.265 1
1 1094 . 3 1 1 A 97 97 VAL HA H 131 3.730 4.370 -0.640 1
1 1102 . 3 1 1 A 97 97 VAL CA C 131 60.520 60.519 0.001 1
1 1103 . 3 1 1 A 97 97 VAL CB C 131 31.310 32.677 -1.367 1
1 1106 . 3 1 1 A 97 97 VAL N N 131 125.572 121.702 3.870 1
1 1107 . 3 1 1 A 98 98 PRO HA H 132 2.700 4.287 -1.587 1
1 1114 . 3 1 1 A 98 98 PRO CA C 132 59.400 61.637 -2.237 1
1 1115 . 3 1 1 A 98 98 PRO CB C 132 30.250 32.198 -1.948 1
1 1118 . 3 1 1 A 99 99 PRO HA H 133 3.620 4.254 -0.634 1
1 1125 . 3 1 1 A 99 99 PRO CA C 133 64.760 64.404 0.356 1
1 1126 . 3 1 1 A 99 99 PRO CB C 133 30.770 31.553 -0.783 1
1 1129 . 3 1 1 A 100 100 SER H H 134 9.195 8.072 1.123 1
1 1130 . 3 1 1 A 100 100 SER HA H 134 4.150 4.410 -0.260 1
1 1133 . 3 1 1 A 100 100 SER CA C 134 59.660 58.922 0.738 1
1 1134 . 3 1 1 A 100 100 SER CB C 134 61.320 63.441 -2.121 1
1 1135 . 3 1 1 A 100 100 SER N N 134 115.005 111.982 3.023 1
1 1136 . 3 1 1 A 101 101 LYS H H 135 7.867 7.552 0.315 1
1 1137 . 3 1 1 A 101 101 LYS HA H 135 4.480 4.488 -0.008 1
1 1146 . 3 1 1 A 101 101 LYS CA C 135 52.490 55.499 -3.009 1
1 1147 . 3 1 1 A 101 101 LYS CB C 135 30.600 32.890 -2.290 1
1 1151 . 3 1 1 A 101 101 LYS N N 135 121.053 121.692 -0.639 1
1 1152 . 3 1 1 A 102 102 ARG H H 136 7.077 7.572 -0.495 1
1 1153 . 3 1 1 A 102 102 ARG HA H 136 4.110 4.351 -0.241 1
1 1164 . 3 1 1 A 102 102 ARG CA C 136 55.440 56.500 -1.060 1
1 1165 . 3 1 1 A 102 102 ARG CB C 136 29.100 30.938 -1.838 1
1 1168 . 3 1 1 A 102 102 ARG N N 136 121.939 120.058 1.881 1
1 1169 . 3 1 1 A 103 103 ARG H H 137 8.289 8.502 -0.213 1
1 1170 . 3 1 1 A 103 103 ARG HA H 137 4.300 4.640 -0.340 1
1 1181 . 3 1 1 A 103 103 ARG CA C 137 54.100 55.323 -1.223 1
1 1182 . 3 1 1 A 103 103 ARG CB C 137 29.700 32.637 -2.937 1
1 1185 . 3 1 1 A 103 103 ARG N N 137 123.504 121.154 2.350 1
1 1186 . 3 1 1 A 104 104 HIS H H 138 8.370 8.726 -0.356 1
1 1187 . 3 1 1 A 104 104 HIS HA H 138 4.678 5.554 -0.876 1
1 1192 . 3 1 1 A 104 104 HIS CA C 138 54.110 53.289 0.821 1
1 1193 . 3 1 1 A 104 104 HIS CB C 138 28.730 33.093 -4.363 1
1 1 . 4 1 1 A 7 7 ASP H H 41 8.479 8.641 -0.162 1
1 2 . 4 1 1 A 7 7 ASP HA H 41 4.650 4.896 -0.246 1
1 5 . 4 1 1 A 7 7 ASP CA C 41 53.120 53.685 -0.565 1
1 6 . 4 1 1 A 7 7 ASP CB C 41 39.840 41.529 -1.689 1
1 7 . 4 1 1 A 7 7 ASP N N 41 124.447 123.968 0.479 1
1 8 . 4 1 1 A 8 8 VAL H H 42 7.916 8.441 -0.525 1
1 9 . 4 1 1 A 8 8 VAL HA H 42 4.150 3.998 0.152 1
1 17 . 4 1 1 A 8 8 VAL CA C 42 60.500 62.809 -2.309 1
1 18 . 4 1 1 A 8 8 VAL CB C 42 31.540 32.197 -0.657 1
1 21 . 4 1 1 A 8 8 VAL N N 42 120.853 125.051 -4.198 1
1 22 . 4 1 1 A 9 9 GLU H H 43 8.476 8.559 -0.083 1
1 23 . 4 1 1 A 9 9 GLU HA H 43 4.300 4.245 0.055 1
1 28 . 4 1 1 A 9 9 GLU CA C 43 55.400 56.789 -1.389 1
1 29 . 4 1 1 A 9 9 GLU CB C 43 29.120 29.907 -0.787 1
1 31 . 4 1 1 A 9 9 GLU N N 43 127.650 125.416 2.234 1
1 32 . 4 1 1 A 10 10 TRP H H 44 8.839 8.879 -0.040 1
1 33 . 4 1 1 A 10 10 TRP HA H 44 5.240 4.743 0.497 1
1 42 . 4 1 1 A 10 10 TRP CA C 44 54.290 56.782 -2.492 1
1 43 . 4 1 1 A 10 10 TRP CB C 44 27.330 30.160 -2.830 1
1 49 . 4 1 1 A 10 10 TRP N N 44 126.406 126.153 0.253 1
1 50 . 4 1 1 A 11 11 VAL H H 45 9.230 8.429 0.801 1
1 51 . 4 1 1 A 11 11 VAL HA H 45 3.900 3.475 0.425 1
1 59 . 4 1 1 A 11 11 VAL CA C 45 63.500 66.599 -3.099 1
1 60 . 4 1 1 A 11 11 VAL CB C 45 30.420 31.538 -1.118 1
1 63 . 4 1 1 A 11 11 VAL N N 45 131.353 126.322 5.031 1
1 64 . 4 1 1 A 12 12 VAL H H 46 5.020 6.735 -1.715 1
1 65 . 4 1 1 A 12 12 VAL HA H 46 3.050 3.805 -0.755 1
1 73 . 4 1 1 A 12 12 VAL CA C 46 60.540 64.581 -4.041 1
1 74 . 4 1 1 A 12 12 VAL CB C 46 29.280 30.850 -1.570 1
1 77 . 4 1 1 A 13 13 GLY H H 47 7.330 7.886 -0.556 1
1 78 . 4 1 1 A 13 13 GLY HA2 H 47 3.600 3.806 -0.206 1
1 79 . 4 1 1 A 13 13 GLY HA3 H 47 4.194 3.954 0.240 1
1 80 . 4 1 1 A 13 13 GLY CA C 47 46.400 46.508 -0.108 1
1 81 . 4 1 1 A 14 14 LYS H H 48 7.581 7.161 0.420 1
1 82 . 4 1 1 A 14 14 LYS HA H 48 4.077 4.144 -0.067 1
1 91 . 4 1 1 A 14 14 LYS CA C 48 57.420 58.236 -0.816 1
1 92 . 4 1 1 A 14 14 LYS CB C 48 30.490 32.801 -2.311 1
1 96 . 4 1 1 A 14 14 LYS N N 48 121.084 120.773 0.311 1
1 97 . 4 1 1 A 15 15 ASP H H 49 7.309 7.804 -0.495 1
1 98 . 4 1 1 A 15 15 ASP HA H 49 4.770 4.742 0.028 1
1 101 . 4 1 1 A 15 15 ASP CA C 49 52.880 52.280 0.600 1
1 102 . 4 1 1 A 15 15 ASP CB C 49 41.910 40.508 1.402 1
1 103 . 4 1 1 A 15 15 ASP N N 49 118.181 115.381 2.800 1
1 104 . 4 1 1 A 16 16 LYS H H 50 7.506 7.577 -0.071 1
1 105 . 4 1 1 A 16 16 LYS HA H 50 4.068 3.918 0.150 1
1 114 . 4 1 1 A 16 16 LYS CA C 50 60.180 61.109 -0.929 1
1 115 . 4 1 1 A 16 16 LYS CB C 50 30.193 31.490 -1.297 1
1 119 . 4 1 1 A 16 16 LYS N N 50 123.633 120.092 3.541 1
1 120 . 4 1 1 A 17 17 PRO HA H 51 4.440 4.250 0.190 1
1 127 . 4 1 1 A 17 17 PRO CA C 51 65.660 66.259 -0.599 1
1 128 . 4 1 1 A 17 17 PRO CB C 51 29.600 30.678 -1.078 1
1 131 . 4 1 1 A 18 18 THR H H 52 7.280 7.481 -0.201 1
1 132 . 4 1 1 A 18 18 THR HA H 52 3.980 4.051 -0.071 1
1 137 . 4 1 1 A 18 18 THR CA C 52 64.440 65.275 -0.835 1
1 138 . 4 1 1 A 18 18 THR CB C 52 67.210 68.206 -0.996 1
1 140 . 4 1 1 A 18 18 THR N N 52 115.095 110.340 4.755 1
1 141 . 4 1 1 A 19 19 TYR H H 53 7.083 7.409 -0.326 1
1 142 . 4 1 1 A 19 19 TYR HA H 53 4.728 4.417 0.311 1
1 149 . 4 1 1 A 19 19 TYR CA C 53 57.110 62.076 -4.966 1
1 150 . 4 1 1 A 19 19 TYR CB C 53 35.170 37.099 -1.929 1
1 155 . 4 1 1 A 19 19 TYR N N 53 125.380 119.874 5.506 1
1 156 . 4 1 1 A 20 20 ASP H H 54 9.588 8.789 0.799 1
1 157 . 4 1 1 A 20 20 ASP HA H 54 4.520 4.597 -0.077 1
1 160 . 4 1 1 A 20 20 ASP CA C 54 55.515 57.824 -2.309 1
1 161 . 4 1 1 A 20 20 ASP CB C 54 38.740 41.379 -2.639 1
1 162 . 4 1 1 A 20 20 ASP N N 54 124.548 121.967 2.581 1
1 163 . 4 1 1 A 21 21 GLU H H 55 7.309 8.245 -0.936 1
1 164 . 4 1 1 A 21 21 GLU HA H 55 4.140 4.192 -0.052 1
1 169 . 4 1 1 A 21 21 GLU CA C 55 58.100 59.221 -1.121 1
1 170 . 4 1 1 A 21 21 GLU CB C 55 28.400 29.709 -1.309 1
1 172 . 4 1 1 A 21 21 GLU N N 55 118.181 119.365 -1.184 1
1 173 . 4 1 1 A 22 22 ILE H H 56 7.249 8.085 -0.836 1
1 174 . 4 1 1 A 22 22 ILE HA H 56 3.946 4.284 -0.338 1
1 184 . 4 1 1 A 22 22 ILE CA C 56 62.400 65.690 -3.290 1
1 185 . 4 1 1 A 22 22 ILE CB C 56 37.597 38.074 -0.477 1
1 189 . 4 1 1 A 22 22 ILE N N 56 118.978 120.488 -1.510 1
1 190 . 4 1 1 A 23 23 PHE H H 57 9.117 8.920 0.197 1
1 191 . 4 1 1 A 23 23 PHE HA H 57 3.100 3.814 -0.714 1
1 199 . 4 1 1 A 23 23 PHE CA C 57 61.330 61.446 -0.116 1
1 200 . 4 1 1 A 23 23 PHE CB C 57 38.250 39.429 -1.179 1
1 206 . 4 1 1 A 23 23 PHE N N 57 127.639 122.006 5.633 1
1 207 . 4 1 1 A 24 24 TYR H H 58 7.903 7.715 0.188 1
1 208 . 4 1 1 A 24 24 TYR HA H 58 4.000 4.471 -0.471 1
1 215 . 4 1 1 A 24 24 TYR CA C 58 60.480 58.401 2.079 1
1 216 . 4 1 1 A 24 24 TYR CB C 58 36.086 38.412 -2.326 1
1 221 . 4 1 1 A 24 24 TYR N N 58 112.757 112.909 -0.152 1
1 222 . 4 1 1 A 25 25 THR H H 59 8.081 7.753 0.328 1
1 223 . 4 1 1 A 25 25 THR HA H 59 4.650 4.608 0.042 1
1 229 . 4 1 1 A 25 25 THR CA C 59 61.770 61.799 -0.029 1
1 230 . 4 1 1 A 25 25 THR CB C 59 68.700 70.179 -1.479 1
1 232 . 4 1 1 A 25 25 THR N N 59 112.676 110.221 2.455 1
1 233 . 4 1 1 A 26 26 LEU H H 60 7.373 7.587 -0.214 1
1 234 . 4 1 1 A 26 26 LEU HA H 60 4.470 4.542 -0.072 1
1 244 . 4 1 1 A 26 26 LEU CA C 60 52.330 53.437 -1.107 1
1 245 . 4 1 1 A 26 26 LEU CB C 60 38.700 41.242 -2.542 1
1 249 . 4 1 1 A 26 26 LEU N N 60 125.808 118.182 7.626 1
1 250 . 4 1 1 A 27 27 SER H H 61 7.860 7.978 -0.118 1
1 251 . 4 1 1 A 27 27 SER HA H 61 3.990 4.165 -0.175 1
1 254 . 4 1 1 A 27 27 SER CA C 61 56.300 58.440 -2.140 1
1 255 . 4 1 1 A 27 27 SER CB C 61 60.230 61.760 -1.530 1
1 256 . 4 1 1 A 27 27 SER N N 61 111.582 111.158 0.424 1
1 257 . 4 1 1 A 28 28 PRO HA H 62 4.210 4.361 -0.151 1
1 264 . 4 1 1 A 28 28 PRO CA C 62 61.600 61.667 -0.067 1
1 265 . 4 1 1 A 28 28 PRO CB C 62 29.890 31.595 -1.705 1
1 268 . 4 1 1 A 29 29 VAL H H 63 8.750 8.029 0.721 1
1 269 . 4 1 1 A 29 29 VAL HA H 63 4.180 4.201 -0.021 1
1 277 . 4 1 1 A 29 29 VAL CA C 63 60.660 61.349 -0.689 1
1 278 . 4 1 1 A 29 29 VAL CB C 63 32.878 31.568 1.310 1
1 281 . 4 1 1 A 29 29 VAL N N 63 124.299 122.456 1.843 1
1 282 . 4 1 1 A 30 30 ASN H H 64 9.713 8.893 0.820 1
1 283 . 4 1 1 A 30 30 ASN HA H 64 4.420 4.510 -0.090 1
1 288 . 4 1 1 A 30 30 ASN CA C 64 52.940 54.016 -1.076 1
1 289 . 4 1 1 A 30 30 ASN CB C 64 36.300 36.169 0.131 1
1 290 . 4 1 1 A 30 30 ASN N N 64 129.729 125.275 4.454 1
1 292 . 4 1 1 A 31 31 GLY H H 65 8.862 8.525 0.337 1
1 293 . 4 1 1 A 31 31 GLY HA2 H 65 3.760 3.964 -0.204 1
1 294 . 4 1 1 A 31 31 GLY HA3 H 65 4.260 4.009 0.251 1
1 295 . 4 1 1 A 31 31 GLY CA C 65 44.260 45.644 -1.384 1
1 296 . 4 1 1 A 31 31 GLY N N 65 130.591 108.755 21.836 1
1 297 . 4 1 1 A 32 32 LYS H H 66 7.501 8.030 -0.529 1
1 298 . 4 1 1 A 32 32 LYS HA H 66 5.420 5.224 0.196 1
1 307 . 4 1 1 A 32 32 LYS CA C 66 53.900 55.275 -1.375 1
1 308 . 4 1 1 A 32 32 LYS CB C 66 36.200 35.877 0.323 1
1 312 . 4 1 1 A 32 32 LYS N N 66 118.738 120.278 -1.540 1
1 313 . 4 1 1 A 33 33 ILE H H 67 9.230 8.877 0.353 1
1 314 . 4 1 1 A 33 33 ILE HA H 67 5.030 4.526 0.504 1
1 324 . 4 1 1 A 33 33 ILE CA C 67 57.470 59.836 -2.366 1
1 325 . 4 1 1 A 33 33 ILE CB C 67 39.880 39.148 0.732 1
1 329 . 4 1 1 A 33 33 ILE N N 67 118.166 122.797 -4.631 1
1 330 . 4 1 1 A 34 34 THR H H 68 8.242 8.473 -0.231 1
1 331 . 4 1 1 A 34 34 THR HA H 68 4.560 4.629 -0.069 1
1 337 . 4 1 1 A 34 34 THR CA C 68 58.970 61.702 -2.732 1
1 338 . 4 1 1 A 34 34 THR CB C 68 69.910 69.785 0.125 1
1 340 . 4 1 1 A 34 34 THR N N 68 111.971 119.303 -7.332 1
1 341 . 4 1 1 A 35 35 GLY H H 69 8.987 8.465 0.522 1
1 342 . 4 1 1 A 35 35 GLY HA2 H 69 3.530 3.748 -0.218 1
1 343 . 4 1 1 A 35 35 GLY HA3 H 69 3.830 4.001 -0.171 1
1 344 . 4 1 1 A 35 35 GLY CA C 69 46.900 47.070 -0.170 1
1 345 . 4 1 1 A 35 35 GLY N N 69 110.332 114.004 -3.672 1
1 346 . 4 1 1 A 36 36 ALA H H 70 8.289 7.571 0.718 1
1 347 . 4 1 1 A 36 36 ALA HA H 70 3.890 3.958 -0.068 1
1 351 . 4 1 1 A 36 36 ALA CA C 70 53.830 54.817 -0.987 1
1 352 . 4 1 1 A 36 36 ALA CB C 70 16.900 18.413 -1.513 1
1 353 . 4 1 1 A 36 36 ALA N N 70 123.588 124.628 -1.040 1
1 354 . 4 1 1 A 37 37 ASN H H 71 7.550 7.530 0.020 1
1 355 . 4 1 1 A 37 37 ASN HA H 71 4.690 4.522 0.168 1
1 360 . 4 1 1 A 37 37 ASN CA C 71 54.000 55.514 -1.514 1
1 361 . 4 1 1 A 37 37 ASN CB C 71 36.300 38.206 -1.906 1
1 362 . 4 1 1 A 37 37 ASN N N 71 118.594 116.176 2.418 1
1 364 . 4 1 1 A 38 38 ALA H H 72 8.825 8.214 0.611 1
1 365 . 4 1 1 A 38 38 ALA HA H 72 4.110 4.147 -0.037 1
1 369 . 4 1 1 A 38 38 ALA CA C 72 54.340 55.665 -1.325 1
1 370 . 4 1 1 A 38 38 ALA CB C 72 17.970 18.801 -0.831 1
1 371 . 4 1 1 A 38 38 ALA N N 72 123.885 122.907 0.978 1
1 372 . 4 1 1 A 39 39 LYS H H 73 8.798 8.105 0.693 1
1 373 . 4 1 1 A 39 39 LYS HA H 73 3.940 3.912 0.028 1
1 382 . 4 1 1 A 39 39 LYS CA C 73 59.000 59.514 -0.514 1
1 383 . 4 1 1 A 39 39 LYS CB C 73 30.880 31.969 -1.089 1
1 387 . 4 1 1 A 39 39 LYS N N 73 120.109 118.563 1.546 1
1 388 . 4 1 1 A 40 40 LYS H H 74 7.295 8.095 -0.800 1
1 389 . 4 1 1 A 40 40 LYS HA H 74 3.990 3.954 0.036 1
1 398 . 4 1 1 A 40 40 LYS CA C 74 58.240 59.842 -1.602 1
1 399 . 4 1 1 A 40 40 LYS CB C 74 30.900 32.306 -1.406 1
1 403 . 4 1 1 A 40 40 LYS N N 74 118.573 118.694 -0.121 1
1 404 . 4 1 1 A 41 41 GLU H H 75 7.111 8.030 -0.919 1
1 405 . 4 1 1 A 41 41 GLU HA H 75 4.450 4.152 0.298 1
1 410 . 4 1 1 A 41 41 GLU CA C 75 56.260 59.480 -3.220 1
1 411 . 4 1 1 A 41 41 GLU CB C 75 28.900 29.216 -0.316 1
1 413 . 4 1 1 A 41 41 GLU N N 75 117.503 118.993 -1.490 1
1 414 . 4 1 1 A 42 42 MET H H 76 8.672 8.430 0.242 1
1 415 . 4 1 1 A 42 42 MET HA H 76 4.020 4.291 -0.271 1
1 423 . 4 1 1 A 42 42 MET CA C 76 58.980 58.706 0.274 1
1 424 . 4 1 1 A 42 42 MET CB C 76 33.270 31.902 1.368 1
1 427 . 4 1 1 A 42 42 MET N N 76 121.435 118.778 2.657 1
1 428 . 4 1 1 A 43 43 VAL H H 77 8.703 8.001 0.702 1
1 429 . 4 1 1 A 43 43 VAL HA H 77 4.070 3.961 0.109 1
1 437 . 4 1 1 A 43 43 VAL CA C 77 63.490 65.242 -1.752 1
1 438 . 4 1 1 A 43 43 VAL CB C 77 30.570 31.615 -1.045 1
1 441 . 4 1 1 A 43 43 VAL N N 77 117.135 115.005 2.130 1
1 442 . 4 1 1 A 44 44 LYS H H 78 7.475 7.729 -0.254 1
1 443 . 4 1 1 A 44 44 LYS HA H 78 4.130 4.182 -0.052 1
1 452 . 4 1 1 A 44 44 LYS CA C 78 57.760 59.037 -1.277 1
1 453 . 4 1 1 A 44 44 LYS CB C 78 30.990 32.050 -1.060 1
1 457 . 4 1 1 A 44 44 LYS N N 78 124.308 121.633 2.675 1
1 458 . 4 1 1 A 45 45 SER H H 79 7.534 7.567 -0.033 1
1 459 . 4 1 1 A 45 45 SER HA H 79 4.080 4.477 -0.397 1
1 462 . 4 1 1 A 45 45 SER CA C 79 59.440 58.509 0.931 1
1 463 . 4 1 1 A 45 45 SER CB C 79 64.580 63.296 1.284 1
1 464 . 4 1 1 A 45 45 SER N N 79 114.575 113.014 1.561 1
1 465 . 4 1 1 A 46 46 LYS H H 80 7.822 7.833 -0.011 1
1 466 . 4 1 1 A 46 46 LYS HA H 80 3.940 3.788 0.152 1
1 475 . 4 1 1 A 46 46 LYS CA C 80 57.020 57.386 -0.366 1
1 476 . 4 1 1 A 46 46 LYS CB C 80 27.840 29.090 -1.250 1
1 480 . 4 1 1 A 46 46 LYS N N 80 114.855 118.061 -3.206 1
1 481 . 4 1 1 A 47 47 LEU H H 81 7.486 7.819 -0.333 1
1 482 . 4 1 1 A 47 47 LEU HA H 81 4.490 4.813 -0.323 1
1 492 . 4 1 1 A 47 47 LEU CA C 81 52.000 51.922 0.078 1
1 493 . 4 1 1 A 47 47 LEU CB C 81 40.400 42.848 -2.448 1
1 497 . 4 1 1 A 47 47 LEU N N 81 122.848 118.957 3.891 1
1 498 . 4 1 1 A 48 48 PRO HA H 82 4.520 4.562 -0.042 1
1 505 . 4 1 1 A 48 48 PRO CA C 82 60.910 62.771 -1.861 1
1 506 . 4 1 1 A 48 48 PRO CB C 82 31.550 32.831 -1.281 1
1 509 . 4 1 1 A 49 49 ASN H H 83 7.580 8.775 -1.195 1
1 510 . 4 1 1 A 49 49 ASN HA H 83 4.270 4.378 -0.108 1
1 515 . 4 1 1 A 49 49 ASN CA C 83 56.000 55.952 0.048 1
1 516 . 4 1 1 A 49 49 ASN CB C 83 36.900 37.372 -0.472 1
1 518 . 4 1 1 A 50 50 THR H H 84 7.260 8.079 -0.819 1
1 519 . 4 1 1 A 50 50 THR HA H 84 4.020 3.945 0.075 1
1 524 . 4 1 1 A 50 50 THR CA C 84 63.474 67.191 -3.717 1
1 525 . 4 1 1 A 50 50 THR CB C 84 66.850 68.941 -2.091 1
1 527 . 4 1 1 A 51 51 VAL H H 85 6.887 8.124 -1.237 1
1 528 . 4 1 1 A 51 51 VAL HA H 85 3.660 3.671 -0.011 1
1 536 . 4 1 1 A 51 51 VAL CA C 85 64.300 66.936 -2.636 1
1 537 . 4 1 1 A 51 51 VAL CB C 85 30.500 31.543 -1.043 1
1 540 . 4 1 1 A 51 51 VAL N N 85 125.031 121.912 3.119 1
1 541 . 4 1 1 A 52 52 LEU H H 86 8.006 8.355 -0.349 1
1 542 . 4 1 1 A 52 52 LEU HA H 86 3.710 4.086 -0.376 1
1 552 . 4 1 1 A 52 52 LEU CA C 86 56.600 58.596 -1.996 1
1 553 . 4 1 1 A 52 52 LEU CB C 86 38.940 41.723 -2.783 1
1 557 . 4 1 1 A 52 52 LEU N N 86 121.391 120.395 0.996 1
1 558 . 4 1 1 A 53 53 GLY H H 87 8.438 8.517 -0.079 1
1 559 . 4 1 1 A 53 53 GLY HA2 H 87 3.850 3.811 0.039 1
1 560 . 4 1 1 A 53 53 GLY HA3 H 87 3.990 3.847 0.143 1
1 561 . 4 1 1 A 53 53 GLY CA C 87 46.200 47.160 -0.960 1
1 562 . 4 1 1 A 53 53 GLY N N 87 108.191 105.668 2.523 1
1 563 . 4 1 1 A 54 54 LYS H H 88 7.300 7.969 -0.669 1
1 564 . 4 1 1 A 54 54 LYS HA H 88 4.130 4.034 0.096 1
1 573 . 4 1 1 A 54 54 LYS CA C 88 57.890 59.515 -1.625 1
1 574 . 4 1 1 A 54 54 LYS CB C 88 31.000 32.291 -1.291 1
1 578 . 4 1 1 A 54 54 LYS N N 88 125.192 121.663 3.529 1
1 579 . 4 1 1 A 55 55 ILE H H 89 8.055 8.191 -0.136 1
1 580 . 4 1 1 A 55 55 ILE HA H 89 3.476 3.737 -0.261 1
1 590 . 4 1 1 A 55 55 ILE CA C 89 65.360 65.049 0.311 1
1 591 . 4 1 1 A 55 55 ILE CB C 89 36.300 37.412 -1.112 1
1 595 . 4 1 1 A 55 55 ILE N N 89 122.309 119.445 2.864 1
1 596 . 4 1 1 A 56 56 TRP H H 90 8.749 8.505 0.244 1
1 597 . 4 1 1 A 56 56 TRP HA H 90 3.880 4.175 -0.295 1
1 606 . 4 1 1 A 56 56 TRP CA C 90 60.260 60.635 -0.375 1
1 607 . 4 1 1 A 56 56 TRP CB C 90 27.660 30.034 -2.374 1
1 613 . 4 1 1 A 56 56 TRP N N 90 122.116 122.935 -0.819 1
1 615 . 4 1 1 A 57 57 LYS H H 91 7.581 8.129 -0.548 1
1 616 . 4 1 1 A 57 57 LYS HA H 91 3.910 4.237 -0.327 1
1 625 . 4 1 1 A 57 57 LYS CA C 91 57.790 57.917 -0.127 1
1 626 . 4 1 1 A 57 57 LYS CB C 91 31.300 32.056 -0.756 1
1 630 . 4 1 1 A 57 57 LYS N N 91 116.341 118.524 -2.183 1
1 631 . 4 1 1 A 58 58 LEU H H 92 7.580 7.555 0.025 1
1 632 . 4 1 1 A 58 58 LEU HA H 92 4.000 4.179 -0.179 1
1 642 . 4 1 1 A 58 58 LEU CA C 92 55.780 57.464 -1.684 1
1 643 . 4 1 1 A 58 58 LEU CB C 92 42.570 42.699 -0.129 1
1 647 . 4 1 1 A 58 58 LEU N N 92 119.793 118.484 1.309 1
1 648 . 4 1 1 A 59 59 ALA H H 93 8.157 8.282 -0.125 1
1 649 . 4 1 1 A 59 59 ALA HA H 93 4.130 4.126 0.004 1
1 653 . 4 1 1 A 59 59 ALA CA C 93 52.400 54.860 -2.460 1
1 654 . 4 1 1 A 59 59 ALA CB C 93 17.560 18.240 -0.680 1
1 655 . 4 1 1 A 59 59 ALA N N 93 120.126 121.340 -1.214 1
1 656 . 4 1 1 A 60 60 ASP H H 94 7.499 8.023 -0.524 1
1 657 . 4 1 1 A 60 60 ASP HA H 94 4.550 4.779 -0.229 1
1 660 . 4 1 1 A 60 60 ASP CA C 94 50.380 53.068 -2.688 1
1 661 . 4 1 1 A 60 60 ASP CB C 94 35.220 38.918 -3.698 1
1 662 . 4 1 1 A 60 60 ASP N N 94 115.431 117.509 -2.078 1
1 663 . 4 1 1 A 61 61 VAL H H 95 8.352 7.920 0.432 1
1 664 . 4 1 1 A 61 61 VAL HA H 95 3.510 3.656 -0.146 1
1 672 . 4 1 1 A 61 61 VAL CA C 95 64.360 64.636 -0.276 1
1 673 . 4 1 1 A 61 61 VAL CB C 95 31.330 31.253 0.077 1
1 676 . 4 1 1 A 61 61 VAL N N 95 129.573 122.734 6.839 1
1 677 . 4 1 1 A 62 62 ASP H H 96 7.927 8.024 -0.097 1
1 678 . 4 1 1 A 62 62 ASP HA H 96 4.540 4.615 -0.075 1
1 681 . 4 1 1 A 62 62 ASP CA C 96 51.630 55.152 -3.522 1
1 682 . 4 1 1 A 62 62 ASP CB C 96 38.300 41.430 -3.130 1
1 683 . 4 1 1 A 62 62 ASP N N 96 115.789 120.553 -4.764 1
1 684 . 4 1 1 A 63 63 LYS H H 97 7.551 7.508 0.043 1
1 685 . 4 1 1 A 63 63 LYS HA H 97 3.880 3.990 -0.110 1
1 694 . 4 1 1 A 63 63 LYS CA C 97 56.450 57.153 -0.703 1
1 695 . 4 1 1 A 63 63 LYS CB C 97 28.000 29.016 -1.016 1
1 699 . 4 1 1 A 63 63 LYS N N 97 115.740 117.288 -1.548 1
1 700 . 4 1 1 A 64 64 ASP H H 98 8.363 7.904 0.459 1
1 701 . 4 1 1 A 64 64 ASP HA H 98 4.660 4.712 -0.052 1
1 704 . 4 1 1 A 64 64 ASP CA C 98 52.060 52.906 -0.846 1
1 705 . 4 1 1 A 64 64 ASP CB C 98 39.500 40.760 -1.260 1
1 706 . 4 1 1 A 64 64 ASP N N 98 120.463 117.699 2.764 1
1 707 . 4 1 1 A 65 65 GLY H H 99 10.672 8.422 2.250 1
1 708 . 4 1 1 A 65 65 GLY HA2 H 99 3.910 4.076 -0.166 1
1 709 . 4 1 1 A 65 65 GLY HA3 H 99 4.320 4.293 0.027 1
1 710 . 4 1 1 A 65 65 GLY CA C 99 45.160 46.278 -1.118 1
1 711 . 4 1 1 A 65 65 GLY N N 99 115.823 111.094 4.729 1
1 712 . 4 1 1 A 66 66 LEU H H 100 8.127 7.778 0.349 1
1 713 . 4 1 1 A 66 66 LEU HA H 100 5.150 5.000 0.150 1
1 723 . 4 1 1 A 66 66 LEU CA C 100 52.200 53.295 -1.095 1
1 724 . 4 1 1 A 66 66 LEU CB C 100 44.490 45.076 -0.586 1
1 728 . 4 1 1 A 66 66 LEU N N 100 123.135 121.750 1.385 1
1 729 . 4 1 1 A 67 67 LEU H H 101 8.729 9.317 -0.588 1
1 730 . 4 1 1 A 67 67 LEU HA H 101 5.810 5.083 0.727 1
1 740 . 4 1 1 A 67 67 LEU CA C 101 51.600 53.778 -2.178 1
1 741 . 4 1 1 A 67 67 LEU CB C 101 42.100 43.059 -0.959 1
1 745 . 4 1 1 A 67 67 LEU N N 101 121.189 123.442 -2.253 1
1 746 . 4 1 1 A 68 68 ASP H H 102 9.236 8.554 0.682 1
1 747 . 4 1 1 A 68 68 ASP HA H 102 5.620 4.871 0.749 1
1 750 . 4 1 1 A 68 68 ASP CA C 102 51.160 54.167 -3.007 1
1 751 . 4 1 1 A 68 68 ASP CB C 102 39.750 41.967 -2.217 1
1 752 . 4 1 1 A 68 68 ASP N N 102 124.386 125.329 -0.943 1
1 753 . 4 1 1 A 69 69 ASP H H 103 8.539 8.760 -0.221 1
1 754 . 4 1 1 A 69 69 ASP HA H 103 2.830 3.638 -0.808 1
1 757 . 4 1 1 A 69 69 ASP CA C 103 56.160 56.375 -0.215 1
1 758 . 4 1 1 A 69 69 ASP CB C 103 37.160 39.404 -2.244 1
1 759 . 4 1 1 A 69 69 ASP N N 103 117.423 121.069 -3.646 1
1 760 . 4 1 1 A 70 70 GLU H H 104 7.997 8.075 -0.078 1
1 761 . 4 1 1 A 70 70 GLU HA H 104 4.075 4.350 -0.275 1
1 766 . 4 1 1 A 70 70 GLU CA C 104 58.950 59.511 -0.561 1
1 767 . 4 1 1 A 70 70 GLU CB C 104 29.134 29.192 -0.058 1
1 769 . 4 1 1 A 70 70 GLU N N 104 124.895 120.089 4.806 1
1 770 . 4 1 1 A 71 71 GLU H H 105 8.742 8.159 0.583 1
1 771 . 4 1 1 A 71 71 GLU HA H 105 4.048 4.121 -0.073 1
1 776 . 4 1 1 A 71 71 GLU CA C 105 58.570 59.221 -0.651 1
1 777 . 4 1 1 A 71 71 GLU CB C 105 30.270 29.458 0.812 1
1 779 . 4 1 1 A 71 71 GLU N N 105 123.465 120.338 3.127 1
1 780 . 4 1 1 A 72 72 PHE H H 106 9.426 8.781 0.645 1
1 781 . 4 1 1 A 72 72 PHE HA H 106 4.260 4.198 0.062 1
1 789 . 4 1 1 A 72 72 PHE CA C 106 60.000 61.504 -1.504 1
1 790 . 4 1 1 A 72 72 PHE CB C 106 38.440 39.429 -0.989 1
1 796 . 4 1 1 A 72 72 PHE N N 106 120.806 121.746 -0.940 1
1 797 . 4 1 1 A 73 73 ALA H H 107 8.097 8.010 0.087 1
1 798 . 4 1 1 A 73 73 ALA HA H 107 3.790 4.036 -0.246 1
1 802 . 4 1 1 A 73 73 ALA CA C 107 54.010 55.055 -1.045 1
1 803 . 4 1 1 A 73 73 ALA CB C 107 16.691 18.649 -1.958 1
1 804 . 4 1 1 A 73 73 ALA N N 107 126.845 121.197 5.648 1
1 805 . 4 1 1 A 74 74 LEU H H 108 8.431 8.283 0.148 1
1 806 . 4 1 1 A 74 74 LEU HA H 108 4.065 4.096 -0.031 1
1 816 . 4 1 1 A 74 74 LEU CA C 108 56.811 57.806 -0.995 1
1 817 . 4 1 1 A 74 74 LEU CB C 108 41.090 41.410 -0.320 1
1 821 . 4 1 1 A 74 74 LEU N N 108 121.250 120.135 1.115 1
1 822 . 4 1 1 A 75 75 ALA H H 109 8.663 8.310 0.353 1
1 823 . 4 1 1 A 75 75 ALA HA H 109 3.660 4.013 -0.353 1
1 827 . 4 1 1 A 75 75 ALA CA C 109 54.220 55.680 -1.460 1
1 828 . 4 1 1 A 75 75 ALA CB C 109 15.220 18.186 -2.966 1
1 829 . 4 1 1 A 75 75 ALA N N 109 122.981 120.930 2.051 1
1 830 . 4 1 1 A 76 76 ASN H H 110 7.249 7.821 -0.572 1
1 831 . 4 1 1 A 76 76 ASN HA H 110 3.800 4.117 -0.317 1
1 836 . 4 1 1 A 76 76 ASN CA C 110 55.500 55.809 -0.309 1
1 837 . 4 1 1 A 76 76 ASN CB C 110 36.610 36.835 -0.225 1
1 838 . 4 1 1 A 76 76 ASN N N 110 115.681 116.300 -0.619 1
1 840 . 4 1 1 A 77 77 HIS H H 111 8.345 7.957 0.388 1
1 841 . 4 1 1 A 77 77 HIS HA H 111 4.092 4.410 -0.318 1
1 846 . 4 1 1 A 77 77 HIS CA C 111 59.180 59.838 -0.658 1
1 847 . 4 1 1 A 77 77 HIS CB C 111 30.420 30.232 0.188 1
1 850 . 4 1 1 A 77 77 HIS N N 111 124.686 120.692 3.994 1
1 851 . 4 1 1 A 78 78 LEU H H 112 8.290 8.294 -0.004 1
1 852 . 4 1 1 A 78 78 LEU HA H 112 3.830 3.896 -0.066 1
1 862 . 4 1 1 A 78 78 LEU CA C 112 56.115 57.869 -1.754 1
1 863 . 4 1 1 A 78 78 LEU CB C 112 41.000 41.432 -0.432 1
1 867 . 4 1 1 A 78 78 LEU N N 112 119.085 119.577 -0.492 1
1 868 . 4 1 1 A 79 79 ILE H H 113 7.792 8.267 -0.475 1
1 869 . 4 1 1 A 79 79 ILE HA H 113 3.290 3.464 -0.174 1
1 879 . 4 1 1 A 79 79 ILE CA C 113 65.020 65.863 -0.843 1
1 880 . 4 1 1 A 79 79 ILE CB C 113 36.730 38.141 -1.411 1
1 884 . 4 1 1 A 79 79 ILE N N 113 121.304 119.863 1.441 1
1 885 . 4 1 1 A 80 80 LYS H H 114 7.537 8.284 -0.747 1
1 886 . 4 1 1 A 80 80 LYS HA H 114 3.830 4.040 -0.210 1
1 895 . 4 1 1 A 80 80 LYS CA C 114 58.970 59.029 -0.059 1
1 896 . 4 1 1 A 80 80 LYS CB C 114 30.470 31.662 -1.192 1
1 900 . 4 1 1 A 80 80 LYS N N 114 122.150 120.386 1.764 1
1 901 . 4 1 1 A 81 81 VAL H H 115 8.110 7.884 0.226 1
1 902 . 4 1 1 A 81 81 VAL HA H 115 3.740 3.568 0.172 1
1 910 . 4 1 1 A 81 81 VAL CA C 115 64.500 67.027 -2.527 1
1 911 . 4 1 1 A 81 81 VAL CB C 115 30.050 31.494 -1.444 1
1 914 . 4 1 1 A 81 81 VAL N N 115 118.999 120.308 -1.309 1
1 915 . 4 1 1 A 82 82 LYS H H 116 7.853 7.690 0.163 1
1 916 . 4 1 1 A 82 82 LYS HA H 116 4.550 4.105 0.445 1
1 925 . 4 1 1 A 82 82 LYS CA C 116 56.000 59.973 -3.973 1
1 926 . 4 1 1 A 82 82 LYS CB C 116 30.340 32.372 -2.032 1
1 930 . 4 1 1 A 82 82 LYS N N 116 123.030 118.817 4.213 1
1 931 . 4 1 1 A 83 83 LEU H H 117 8.959 8.362 0.597 1
1 932 . 4 1 1 A 83 83 LEU HA H 117 4.090 3.945 0.145 1
1 942 . 4 1 1 A 83 83 LEU CA C 117 56.620 58.054 -1.434 1
1 943 . 4 1 1 A 83 83 LEU CB C 117 40.361 41.443 -1.082 1
1 947 . 4 1 1 A 83 83 LEU N N 117 125.378 120.389 4.989 1
1 948 . 4 1 1 A 84 84 GLU H H 118 7.817 8.107 -0.290 1
1 949 . 4 1 1 A 84 84 GLU HA H 118 4.164 4.348 -0.184 1
1 954 . 4 1 1 A 84 84 GLU CA C 118 55.600 56.184 -0.584 1
1 955 . 4 1 1 A 84 84 GLU CB C 118 28.600 29.765 -1.165 1
1 957 . 4 1 1 A 84 84 GLU N N 118 119.766 115.906 3.860 1
1 958 . 4 1 1 A 85 85 GLY H H 119 7.862 7.950 -0.088 1
1 959 . 4 1 1 A 85 85 GLY HA2 H 119 3.650 3.710 -0.060 1
1 960 . 4 1 1 A 85 85 GLY HA3 H 119 4.140 3.791 0.349 1
1 961 . 4 1 1 A 85 85 GLY CA C 119 43.690 45.904 -2.214 1
1 962 . 4 1 1 A 85 85 GLY N N 119 107.902 107.994 -0.092 1
1 963 . 4 1 1 A 86 86 HIS H H 120 7.714 7.758 -0.044 1
1 964 . 4 1 1 A 86 86 HIS HA H 120 4.680 4.659 0.021 1
1 969 . 4 1 1 A 86 86 HIS CA C 120 53.900 55.538 -1.638 1
1 970 . 4 1 1 A 86 86 HIS CB C 120 29.390 31.651 -2.261 1
1 972 . 4 1 1 A 86 86 HIS N N 120 122.124 117.666 4.458 1
1 973 . 4 1 1 A 87 87 GLU H H 121 8.491 8.988 -0.497 1
1 974 . 4 1 1 A 87 87 GLU HA H 121 4.310 4.533 -0.223 1
1 979 . 4 1 1 A 87 87 GLU CA C 121 54.000 56.166 -2.166 1
1 980 . 4 1 1 A 87 87 GLU CB C 121 29.120 30.329 -1.209 1
1 982 . 4 1 1 A 87 87 GLU N N 121 121.826 124.414 -2.588 1
1 983 . 4 1 1 A 88 88 LEU H H 122 8.672 8.509 0.163 1
1 984 . 4 1 1 A 88 88 LEU HA H 122 4.420 4.710 -0.290 1
1 994 . 4 1 1 A 88 88 LEU CA C 122 50.777 53.298 -2.521 1
1 995 . 4 1 1 A 88 88 LEU CB C 122 39.986 41.748 -1.762 1
1 999 . 4 1 1 A 88 88 LEU N N 122 125.316 124.904 0.412 1
1 1000 . 4 1 1 A 89 89 PRO HA H 123 4.570 4.571 -0.001 1
1 1007 . 4 1 1 A 89 89 PRO CA C 123 60.690 63.603 -2.913 1
1 1008 . 4 1 1 A 89 89 PRO CB C 123 30.320 32.233 -1.913 1
1 1011 . 4 1 1 A 90 90 ALA H H 124 8.451 8.005 0.446 1
1 1012 . 4 1 1 A 90 90 ALA HA H 124 4.080 3.984 0.096 1
1 1016 . 4 1 1 A 90 90 ALA CA C 124 52.700 53.624 -0.924 1
1 1017 . 4 1 1 A 90 90 ALA CB C 124 17.760 17.930 -0.170 1
1 1018 . 4 1 1 A 90 90 ALA N N 124 123.603 120.203 3.400 1
1 1019 . 4 1 1 A 91 91 ASP H H 125 7.473 7.712 -0.239 1
1 1020 . 4 1 1 A 91 91 ASP HA H 125 4.640 5.207 -0.567 1
1 1023 . 4 1 1 A 91 91 ASP CA C 125 50.340 52.917 -2.577 1
1 1024 . 4 1 1 A 91 91 ASP CB C 125 42.620 44.326 -1.706 1
1 1025 . 4 1 1 A 91 91 ASP N N 125 115.317 117.003 -1.686 1
1 1026 . 4 1 1 A 92 92 LEU H H 126 8.883 8.925 -0.042 1
1 1027 . 4 1 1 A 92 92 LEU HA H 126 4.200 4.978 -0.778 1
1 1037 . 4 1 1 A 92 92 LEU CA C 126 51.930 51.301 0.629 1
1 1038 . 4 1 1 A 92 92 LEU CB C 126 41.032 43.781 -2.749 1
1 1042 . 4 1 1 A 92 92 LEU N N 126 125.329 123.736 1.593 1
1 1043 . 4 1 1 A 93 93 PRO HA H 127 4.870 4.479 0.391 1
1 1050 . 4 1 1 A 93 93 PRO CA C 127 59.820 61.717 -1.897 1
1 1051 . 4 1 1 A 93 93 PRO CB C 127 29.800 32.324 -2.524 1
1 1054 . 4 1 1 A 94 94 PRO HA H 128 4.230 4.165 0.065 1
1 1061 . 4 1 1 A 94 94 PRO CA C 128 64.560 65.024 -0.464 1
1 1062 . 4 1 1 A 94 94 PRO CB C 128 30.900 31.826 -0.926 1
1 1065 . 4 1 1 A 95 95 HIS H H 129 7.922 7.965 -0.043 1
1 1066 . 4 1 1 A 95 95 HIS HA H 129 4.650 4.551 0.099 1
1 1071 . 4 1 1 A 95 95 HIS CA C 129 56.810 56.214 0.596 1
1 1072 . 4 1 1 A 95 95 HIS CB C 129 28.100 29.864 -1.764 1
1 1075 . 4 1 1 A 95 95 HIS N N 129 112.757 115.065 -2.308 1
1 1076 . 4 1 1 A 96 96 LEU H H 130 7.709 7.811 -0.102 1
1 1077 . 4 1 1 A 96 96 LEU HA H 130 4.646 4.465 0.181 1
1 1087 . 4 1 1 A 96 96 LEU CA C 130 53.100 55.431 -2.331 1
1 1088 . 4 1 1 A 96 96 LEU CB C 130 42.210 43.494 -1.284 1
1 1092 . 4 1 1 A 96 96 LEU N N 130 121.128 119.384 1.744 1
1 1093 . 4 1 1 A 97 97 VAL H H 131 7.184 7.229 -0.045 1
1 1094 . 4 1 1 A 97 97 VAL HA H 131 3.730 4.449 -0.719 1
1 1102 . 4 1 1 A 97 97 VAL CA C 131 60.520 60.467 0.053 1
1 1103 . 4 1 1 A 97 97 VAL CB C 131 31.310 32.755 -1.445 1
1 1106 . 4 1 1 A 97 97 VAL N N 131 125.572 121.720 3.852 1
1 1107 . 4 1 1 A 98 98 PRO HA H 132 2.700 3.871 -1.171 1
1 1114 . 4 1 1 A 98 98 PRO CA C 132 59.400 62.169 -2.769 1
1 1115 . 4 1 1 A 98 98 PRO CB C 132 30.250 32.127 -1.877 1
1 1118 . 4 1 1 A 99 99 PRO HA H 133 3.620 4.177 -0.557 1
1 1125 . 4 1 1 A 99 99 PRO CA C 133 64.760 64.835 -0.075 1
1 1126 . 4 1 1 A 99 99 PRO CB C 133 30.770 31.675 -0.905 1
1 1129 . 4 1 1 A 100 100 SER H H 134 9.195 8.172 1.023 1
1 1130 . 4 1 1 A 100 100 SER HA H 134 4.150 4.422 -0.272 1
1 1133 . 4 1 1 A 100 100 SER CA C 134 59.660 59.494 0.166 1
1 1134 . 4 1 1 A 100 100 SER CB C 134 61.320 63.311 -1.991 1
1 1135 . 4 1 1 A 100 100 SER N N 134 115.005 112.617 2.388 1
1 1136 . 4 1 1 A 101 101 LYS H H 135 7.867 7.931 -0.064 1
1 1137 . 4 1 1 A 101 101 LYS HA H 135 4.480 4.464 0.016 1
1 1146 . 4 1 1 A 101 101 LYS CA C 135 52.490 55.865 -3.375 1
1 1147 . 4 1 1 A 101 101 LYS CB C 135 30.600 33.133 -2.533 1
1 1151 . 4 1 1 A 101 101 LYS N N 135 121.053 119.760 1.293 1
1 1152 . 4 1 1 A 102 102 ARG H H 136 7.077 7.645 -0.568 1
1 1153 . 4 1 1 A 102 102 ARG HA H 136 4.110 4.984 -0.874 1
1 1164 . 4 1 1 A 102 102 ARG CA C 136 55.440 55.188 0.252 1
1 1165 . 4 1 1 A 102 102 ARG CB C 136 29.100 32.766 -3.666 1
1 1168 . 4 1 1 A 102 102 ARG N N 136 121.939 117.412 4.527 1
1 1169 . 4 1 1 A 103 103 ARG H H 137 8.289 8.778 -0.489 1
1 1170 . 4 1 1 A 103 103 ARG HA H 137 4.300 5.233 -0.933 1
1 1181 . 4 1 1 A 103 103 ARG CA C 137 54.100 54.740 -0.640 1
1 1182 . 4 1 1 A 103 103 ARG CB C 137 29.700 33.704 -4.004 1
1 1185 . 4 1 1 A 103 103 ARG N N 137 123.504 121.463 2.041 1
1 1186 . 4 1 1 A 104 104 HIS H H 138 8.370 8.907 -0.537 1
1 1187 . 4 1 1 A 104 104 HIS HA H 138 4.678 5.338 -0.660 1
1 1192 . 4 1 1 A 104 104 HIS CA C 138 54.110 54.310 -0.200 1
1 1193 . 4 1 1 A 104 104 HIS CB C 138 28.730 33.107 -4.377 1
1 1 . 5 1 1 A 7 7 ASP H H 41 8.479 8.639 -0.160 1
1 2 . 5 1 1 A 7 7 ASP HA H 41 4.650 4.844 -0.194 1
1 5 . 5 1 1 A 7 7 ASP CA C 41 53.120 54.316 -1.196 1
1 6 . 5 1 1 A 7 7 ASP CB C 41 39.840 41.205 -1.365 1
1 7 . 5 1 1 A 7 7 ASP N N 41 124.447 127.229 -2.782 1
1 8 . 5 1 1 A 8 8 VAL H H 42 7.916 8.541 -0.625 1
1 9 . 5 1 1 A 8 8 VAL HA H 42 4.150 4.614 -0.464 1
1 17 . 5 1 1 A 8 8 VAL CA C 42 60.500 61.304 -0.804 1
1 18 . 5 1 1 A 8 8 VAL CB C 42 31.540 32.933 -1.393 1
1 21 . 5 1 1 A 8 8 VAL N N 42 120.853 125.760 -4.907 1
1 22 . 5 1 1 A 9 9 GLU H H 43 8.476 8.896 -0.420 1
1 23 . 5 1 1 A 9 9 GLU HA H 43 4.300 4.792 -0.492 1
1 28 . 5 1 1 A 9 9 GLU CA C 43 55.400 54.453 0.947 1
1 29 . 5 1 1 A 9 9 GLU CB C 43 29.120 30.803 -1.683 1
1 31 . 5 1 1 A 9 9 GLU N N 43 127.650 129.441 -1.791 1
1 32 . 5 1 1 A 10 10 TRP H H 44 8.839 9.019 -0.180 1
1 33 . 5 1 1 A 10 10 TRP HA H 44 5.240 4.935 0.305 1
1 42 . 5 1 1 A 10 10 TRP CA C 44 54.290 55.787 -1.497 1
1 43 . 5 1 1 A 10 10 TRP CB C 44 27.330 29.482 -2.152 1
1 49 . 5 1 1 A 10 10 TRP N N 44 126.406 130.445 -4.039 1
1 50 . 5 1 1 A 11 11 VAL H H 45 9.230 8.465 0.765 1
1 51 . 5 1 1 A 11 11 VAL HA H 45 3.900 3.653 0.247 1
1 59 . 5 1 1 A 11 11 VAL CA C 45 63.500 65.126 -1.626 1
1 60 . 5 1 1 A 11 11 VAL CB C 45 30.420 31.166 -0.746 1
1 63 . 5 1 1 A 11 11 VAL N N 45 131.353 126.226 5.127 1
1 64 . 5 1 1 A 12 12 VAL H H 46 5.020 7.063 -2.043 1
1 65 . 5 1 1 A 12 12 VAL HA H 46 3.050 3.500 -0.450 1
1 73 . 5 1 1 A 12 12 VAL CA C 46 60.540 65.077 -4.537 1
1 74 . 5 1 1 A 12 12 VAL CB C 46 29.280 30.725 -1.445 1
1 77 . 5 1 1 A 13 13 GLY H H 47 7.330 8.415 -1.085 1
1 78 . 5 1 1 A 13 13 GLY HA2 H 47 3.600 3.912 -0.312 1
1 79 . 5 1 1 A 13 13 GLY HA3 H 47 4.194 3.938 0.256 1
1 80 . 5 1 1 A 13 13 GLY CA C 47 46.400 46.839 -0.439 1
1 81 . 5 1 1 A 14 14 LYS H H 48 7.581 7.871 -0.290 1
1 82 . 5 1 1 A 14 14 LYS HA H 48 4.077 4.086 -0.009 1
1 91 . 5 1 1 A 14 14 LYS CA C 48 57.420 58.948 -1.528 1
1 92 . 5 1 1 A 14 14 LYS CB C 48 30.490 32.382 -1.892 1
1 96 . 5 1 1 A 14 14 LYS N N 48 121.084 120.795 0.289 1
1 97 . 5 1 1 A 15 15 ASP H H 49 7.309 7.594 -0.285 1
1 98 . 5 1 1 A 15 15 ASP HA H 49 4.770 4.782 -0.012 1
1 101 . 5 1 1 A 15 15 ASP CA C 49 52.880 52.405 0.475 1
1 102 . 5 1 1 A 15 15 ASP CB C 49 41.910 41.622 0.288 1
1 103 . 5 1 1 A 15 15 ASP N N 49 118.181 119.744 -1.563 1
1 104 . 5 1 1 A 16 16 LYS H H 50 7.506 7.607 -0.101 1
1 105 . 5 1 1 A 16 16 LYS HA H 50 4.068 3.877 0.191 1
1 114 . 5 1 1 A 16 16 LYS CA C 50 60.180 60.959 -0.779 1
1 115 . 5 1 1 A 16 16 LYS CB C 50 30.193 31.739 -1.546 1
1 119 . 5 1 1 A 16 16 LYS N N 50 123.633 121.268 2.365 1
1 120 . 5 1 1 A 17 17 PRO HA H 51 4.440 4.368 0.072 1
1 127 . 5 1 1 A 17 17 PRO CA C 51 65.660 65.625 0.035 1
1 128 . 5 1 1 A 17 17 PRO CB C 51 29.600 31.182 -1.582 1
1 131 . 5 1 1 A 18 18 THR H H 52 7.280 7.519 -0.239 1
1 132 . 5 1 1 A 18 18 THR HA H 52 3.980 4.047 -0.067 1
1 137 . 5 1 1 A 18 18 THR CA C 52 64.440 65.282 -0.842 1
1 138 . 5 1 1 A 18 18 THR CB C 52 67.210 68.170 -0.960 1
1 140 . 5 1 1 A 18 18 THR N N 52 115.095 111.428 3.667 1
1 141 . 5 1 1 A 19 19 TYR H H 53 7.083 7.313 -0.230 1
1 142 . 5 1 1 A 19 19 TYR HA H 53 4.728 4.453 0.275 1
1 149 . 5 1 1 A 19 19 TYR CA C 53 57.110 62.171 -5.061 1
1 150 . 5 1 1 A 19 19 TYR CB C 53 35.170 37.292 -2.122 1
1 155 . 5 1 1 A 19 19 TYR N N 53 125.380 119.462 5.918 1
1 156 . 5 1 1 A 20 20 ASP H H 54 9.588 8.853 0.735 1
1 157 . 5 1 1 A 20 20 ASP HA H 54 4.520 4.517 0.003 1
1 160 . 5 1 1 A 20 20 ASP CA C 54 55.515 57.822 -2.307 1
1 161 . 5 1 1 A 20 20 ASP CB C 54 38.740 41.396 -2.656 1
1 162 . 5 1 1 A 20 20 ASP N N 54 124.548 122.069 2.479 1
1 163 . 5 1 1 A 21 21 GLU H H 55 7.309 8.386 -1.077 1
1 164 . 5 1 1 A 21 21 GLU HA H 55 4.140 4.290 -0.150 1
1 169 . 5 1 1 A 21 21 GLU CA C 55 58.100 59.350 -1.250 1
1 170 . 5 1 1 A 21 21 GLU CB C 55 28.400 29.706 -1.306 1
1 172 . 5 1 1 A 21 21 GLU N N 55 118.181 119.301 -1.120 1
1 173 . 5 1 1 A 22 22 ILE H H 56 7.249 7.887 -0.638 1
1 174 . 5 1 1 A 22 22 ILE HA H 56 3.946 4.207 -0.261 1
1 184 . 5 1 1 A 22 22 ILE CA C 56 62.400 64.854 -2.454 1
1 185 . 5 1 1 A 22 22 ILE CB C 56 37.597 37.365 0.232 1
1 189 . 5 1 1 A 22 22 ILE N N 56 118.978 120.768 -1.790 1
1 190 . 5 1 1 A 23 23 PHE H H 57 9.117 8.738 0.379 1
1 191 . 5 1 1 A 23 23 PHE HA H 57 3.100 3.816 -0.716 1
1 199 . 5 1 1 A 23 23 PHE CA C 57 61.330 61.490 -0.160 1
1 200 . 5 1 1 A 23 23 PHE CB C 57 38.250 38.933 -0.683 1
1 206 . 5 1 1 A 23 23 PHE N N 57 127.639 121.855 5.784 1
1 207 . 5 1 1 A 24 24 TYR H H 58 7.903 8.276 -0.373 1
1 208 . 5 1 1 A 24 24 TYR HA H 58 4.000 4.411 -0.411 1
1 215 . 5 1 1 A 24 24 TYR CA C 58 60.480 61.237 -0.757 1
1 216 . 5 1 1 A 24 24 TYR CB C 58 36.086 38.304 -2.218 1
1 221 . 5 1 1 A 24 24 TYR N N 58 112.757 116.095 -3.338 1
1 222 . 5 1 1 A 25 25 THR H H 59 8.081 7.587 0.494 1
1 223 . 5 1 1 A 25 25 THR HA H 59 4.650 4.373 0.277 1
1 229 . 5 1 1 A 25 25 THR CA C 59 61.770 63.456 -1.686 1
1 230 . 5 1 1 A 25 25 THR CB C 59 68.700 69.186 -0.486 1
1 232 . 5 1 1 A 25 25 THR N N 59 112.676 113.303 -0.627 1
1 233 . 5 1 1 A 26 26 LEU H H 60 7.373 7.107 0.266 1
1 234 . 5 1 1 A 26 26 LEU HA H 60 4.470 4.347 0.123 1
1 244 . 5 1 1 A 26 26 LEU CA C 60 52.330 54.124 -1.794 1
1 245 . 5 1 1 A 26 26 LEU CB C 60 38.700 42.155 -3.455 1
1 249 . 5 1 1 A 26 26 LEU N N 60 125.808 120.737 5.071 1
1 250 . 5 1 1 A 27 27 SER H H 61 7.860 7.579 0.281 1
1 251 . 5 1 1 A 27 27 SER HA H 61 3.990 4.135 -0.145 1
1 254 . 5 1 1 A 27 27 SER CA C 61 56.300 58.601 -2.301 1
1 255 . 5 1 1 A 27 27 SER CB C 61 60.230 61.699 -1.469 1
1 256 . 5 1 1 A 27 27 SER N N 61 111.582 113.173 -1.591 1
1 257 . 5 1 1 A 28 28 PRO HA H 62 4.210 4.713 -0.503 1
1 264 . 5 1 1 A 28 28 PRO CA C 62 61.600 61.889 -0.289 1
1 265 . 5 1 1 A 28 28 PRO CB C 62 29.890 31.246 -1.356 1
1 268 . 5 1 1 A 29 29 VAL H H 63 8.750 8.184 0.566 1
1 269 . 5 1 1 A 29 29 VAL HA H 63 4.180 4.236 -0.056 1
1 277 . 5 1 1 A 29 29 VAL CA C 63 60.660 61.804 -1.144 1
1 278 . 5 1 1 A 29 29 VAL CB C 63 32.878 32.084 0.794 1
1 281 . 5 1 1 A 29 29 VAL N N 63 124.299 122.898 1.401 1
1 282 . 5 1 1 A 30 30 ASN H H 64 9.713 9.522 0.191 1
1 283 . 5 1 1 A 30 30 ASN HA H 64 4.420 4.474 -0.054 1
1 288 . 5 1 1 A 30 30 ASN CA C 64 52.940 54.521 -1.581 1
1 289 . 5 1 1 A 30 30 ASN CB C 64 36.300 36.986 -0.686 1
1 290 . 5 1 1 A 30 30 ASN N N 64 129.729 127.165 2.564 1
1 292 . 5 1 1 A 31 31 GLY H H 65 8.862 8.737 0.125 1
1 293 . 5 1 1 A 31 31 GLY HA2 H 65 3.760 3.962 -0.202 1
1 294 . 5 1 1 A 31 31 GLY HA3 H 65 4.260 4.003 0.257 1
1 295 . 5 1 1 A 31 31 GLY CA C 65 44.260 45.715 -1.455 1
1 296 . 5 1 1 A 31 31 GLY N N 65 130.591 104.866 25.725 1
1 297 . 5 1 1 A 32 32 LYS H H 66 7.501 7.608 -0.107 1
1 298 . 5 1 1 A 32 32 LYS HA H 66 5.420 5.289 0.131 1
1 307 . 5 1 1 A 32 32 LYS CA C 66 53.900 54.297 -0.397 1
1 308 . 5 1 1 A 32 32 LYS CB C 66 36.200 35.972 0.228 1
1 312 . 5 1 1 A 32 32 LYS N N 66 118.738 119.715 -0.977 1
1 313 . 5 1 1 A 33 33 ILE H H 67 9.230 8.923 0.307 1
1 314 . 5 1 1 A 33 33 ILE HA H 67 5.030 4.647 0.383 1
1 324 . 5 1 1 A 33 33 ILE CA C 67 57.470 59.770 -2.300 1
1 325 . 5 1 1 A 33 33 ILE CB C 67 39.880 39.483 0.397 1
1 329 . 5 1 1 A 33 33 ILE N N 67 118.166 119.799 -1.633 1
1 330 . 5 1 1 A 34 34 THR H H 68 8.242 8.604 -0.362 1
1 331 . 5 1 1 A 34 34 THR HA H 68 4.560 4.580 -0.020 1
1 337 . 5 1 1 A 34 34 THR CA C 68 58.970 61.981 -3.011 1
1 338 . 5 1 1 A 34 34 THR CB C 68 69.910 69.554 0.356 1
1 340 . 5 1 1 A 34 34 THR N N 68 111.971 120.255 -8.284 1
1 341 . 5 1 1 A 35 35 GLY H H 69 8.987 8.481 0.506 1
1 342 . 5 1 1 A 35 35 GLY HA2 H 69 3.530 3.818 -0.288 1
1 343 . 5 1 1 A 35 35 GLY HA3 H 69 3.830 4.089 -0.259 1
1 344 . 5 1 1 A 35 35 GLY CA C 69 46.900 46.730 0.170 1
1 345 . 5 1 1 A 35 35 GLY N N 69 110.332 113.583 -3.251 1
1 346 . 5 1 1 A 36 36 ALA H H 70 8.289 7.956 0.333 1
1 347 . 5 1 1 A 36 36 ALA HA H 70 3.890 3.930 -0.040 1
1 351 . 5 1 1 A 36 36 ALA CA C 70 53.830 54.843 -1.013 1
1 352 . 5 1 1 A 36 36 ALA CB C 70 16.900 18.549 -1.649 1
1 353 . 5 1 1 A 36 36 ALA N N 70 123.588 123.881 -0.293 1
1 354 . 5 1 1 A 37 37 ASN H H 71 7.550 8.191 -0.641 1
1 355 . 5 1 1 A 37 37 ASN HA H 71 4.690 4.453 0.237 1
1 360 . 5 1 1 A 37 37 ASN CA C 71 54.000 55.673 -1.673 1
1 361 . 5 1 1 A 37 37 ASN CB C 71 36.300 37.257 -0.957 1
1 362 . 5 1 1 A 37 37 ASN N N 71 118.594 116.154 2.440 1
1 364 . 5 1 1 A 38 38 ALA H H 72 8.825 8.067 0.758 1
1 365 . 5 1 1 A 38 38 ALA HA H 72 4.110 4.135 -0.025 1
1 369 . 5 1 1 A 38 38 ALA CA C 72 54.340 55.634 -1.294 1
1 370 . 5 1 1 A 38 38 ALA CB C 72 17.970 18.704 -0.734 1
1 371 . 5 1 1 A 38 38 ALA N N 72 123.885 122.049 1.836 1
1 372 . 5 1 1 A 39 39 LYS H H 73 8.798 7.927 0.871 1
1 373 . 5 1 1 A 39 39 LYS HA H 73 3.940 3.861 0.079 1
1 382 . 5 1 1 A 39 39 LYS CA C 73 59.000 59.468 -0.468 1
1 383 . 5 1 1 A 39 39 LYS CB C 73 30.880 31.936 -1.056 1
1 387 . 5 1 1 A 39 39 LYS N N 73 120.109 118.333 1.776 1
1 388 . 5 1 1 A 40 40 LYS H H 74 7.295 7.893 -0.598 1
1 389 . 5 1 1 A 40 40 LYS HA H 74 3.990 3.965 0.025 1
1 398 . 5 1 1 A 40 40 LYS CA C 74 58.240 59.879 -1.639 1
1 399 . 5 1 1 A 40 40 LYS CB C 74 30.900 32.337 -1.437 1
1 403 . 5 1 1 A 40 40 LYS N N 74 118.573 118.670 -0.097 1
1 404 . 5 1 1 A 41 41 GLU H H 75 7.111 8.033 -0.922 1
1 405 . 5 1 1 A 41 41 GLU HA H 75 4.450 4.141 0.309 1
1 410 . 5 1 1 A 41 41 GLU CA C 75 56.260 59.520 -3.260 1
1 411 . 5 1 1 A 41 41 GLU CB C 75 28.900 29.223 -0.323 1
1 413 . 5 1 1 A 41 41 GLU N N 75 117.503 118.941 -1.438 1
1 414 . 5 1 1 A 42 42 MET H H 76 8.672 8.086 0.586 1
1 415 . 5 1 1 A 42 42 MET HA H 76 4.020 4.180 -0.160 1
1 423 . 5 1 1 A 42 42 MET CA C 76 58.980 58.882 0.098 1
1 424 . 5 1 1 A 42 42 MET CB C 76 33.270 32.429 0.841 1
1 427 . 5 1 1 A 42 42 MET N N 76 121.435 118.933 2.502 1
1 428 . 5 1 1 A 43 43 VAL H H 77 8.703 8.047 0.656 1
1 429 . 5 1 1 A 43 43 VAL HA H 77 4.070 3.941 0.129 1
1 437 . 5 1 1 A 43 43 VAL CA C 77 63.490 65.302 -1.812 1
1 438 . 5 1 1 A 43 43 VAL CB C 77 30.570 31.598 -1.028 1
1 441 . 5 1 1 A 43 43 VAL N N 77 117.135 114.784 2.351 1
1 442 . 5 1 1 A 44 44 LYS H H 78 7.475 7.785 -0.310 1
1 443 . 5 1 1 A 44 44 LYS HA H 78 4.130 4.155 -0.025 1
1 452 . 5 1 1 A 44 44 LYS CA C 78 57.760 59.545 -1.785 1
1 453 . 5 1 1 A 44 44 LYS CB C 78 30.990 32.073 -1.083 1
1 457 . 5 1 1 A 44 44 LYS N N 78 124.308 122.099 2.209 1
1 458 . 5 1 1 A 45 45 SER H H 79 7.534 7.592 -0.058 1
1 459 . 5 1 1 A 45 45 SER HA H 79 4.080 4.381 -0.301 1
1 462 . 5 1 1 A 45 45 SER CA C 79 59.440 61.390 -1.950 1
1 463 . 5 1 1 A 45 45 SER CB C 79 64.580 63.481 1.099 1
1 464 . 5 1 1 A 45 45 SER N N 79 114.575 114.889 -0.314 1
1 465 . 5 1 1 A 46 46 LYS H H 80 7.822 7.364 0.458 1
1 466 . 5 1 1 A 46 46 LYS HA H 80 3.940 3.877 0.063 1
1 475 . 5 1 1 A 46 46 LYS CA C 80 57.020 57.535 -0.515 1
1 476 . 5 1 1 A 46 46 LYS CB C 80 27.840 28.941 -1.101 1
1 480 . 5 1 1 A 46 46 LYS N N 80 114.855 117.315 -2.460 1
1 481 . 5 1 1 A 47 47 LEU H H 81 7.486 7.876 -0.390 1
1 482 . 5 1 1 A 47 47 LEU HA H 81 4.490 4.433 0.057 1
1 492 . 5 1 1 A 47 47 LEU CA C 81 52.000 53.208 -1.208 1
1 493 . 5 1 1 A 47 47 LEU CB C 81 40.400 40.703 -0.303 1
1 497 . 5 1 1 A 47 47 LEU N N 81 122.848 119.985 2.863 1
1 498 . 5 1 1 A 48 48 PRO HA H 82 4.520 4.559 -0.039 1
1 505 . 5 1 1 A 48 48 PRO CA C 82 60.910 62.858 -1.948 1
1 506 . 5 1 1 A 48 48 PRO CB C 82 31.550 32.504 -0.954 1
1 509 . 5 1 1 A 49 49 ASN H H 83 7.580 8.663 -1.083 1
1 510 . 5 1 1 A 49 49 ASN HA H 83 4.270 4.375 -0.105 1
1 515 . 5 1 1 A 49 49 ASN CA C 83 56.000 56.236 -0.236 1
1 516 . 5 1 1 A 49 49 ASN CB C 83 36.900 38.189 -1.289 1
1 518 . 5 1 1 A 50 50 THR H H 84 7.260 8.091 -0.831 1
1 519 . 5 1 1 A 50 50 THR HA H 84 4.020 4.016 0.004 1
1 524 . 5 1 1 A 50 50 THR CA C 84 63.474 65.735 -2.261 1
1 525 . 5 1 1 A 50 50 THR CB C 84 66.850 68.010 -1.160 1
1 527 . 5 1 1 A 51 51 VAL H H 85 6.887 8.206 -1.319 1
1 528 . 5 1 1 A 51 51 VAL HA H 85 3.660 3.681 -0.021 1
1 536 . 5 1 1 A 51 51 VAL CA C 85 64.300 67.204 -2.904 1
1 537 . 5 1 1 A 51 51 VAL CB C 85 30.500 31.654 -1.154 1
1 540 . 5 1 1 A 51 51 VAL N N 85 125.031 122.966 2.065 1
1 541 . 5 1 1 A 52 52 LEU H H 86 8.006 8.557 -0.551 1
1 542 . 5 1 1 A 52 52 LEU HA H 86 3.710 4.046 -0.336 1
1 552 . 5 1 1 A 52 52 LEU CA C 86 56.600 58.527 -1.927 1
1 553 . 5 1 1 A 52 52 LEU CB C 86 38.940 41.801 -2.861 1
1 557 . 5 1 1 A 52 52 LEU N N 86 121.391 120.170 1.221 1
1 558 . 5 1 1 A 53 53 GLY H H 87 8.438 8.673 -0.235 1
1 559 . 5 1 1 A 53 53 GLY HA2 H 87 3.850 3.817 0.033 1
1 560 . 5 1 1 A 53 53 GLY HA3 H 87 3.990 3.854 0.136 1
1 561 . 5 1 1 A 53 53 GLY CA C 87 46.200 47.161 -0.961 1
1 562 . 5 1 1 A 53 53 GLY N N 87 108.191 105.924 2.267 1
1 563 . 5 1 1 A 54 54 LYS H H 88 7.300 7.942 -0.642 1
1 564 . 5 1 1 A 54 54 LYS HA H 88 4.130 4.017 0.113 1
1 573 . 5 1 1 A 54 54 LYS CA C 88 57.890 59.432 -1.542 1
1 574 . 5 1 1 A 54 54 LYS CB C 88 31.000 32.467 -1.467 1
1 578 . 5 1 1 A 54 54 LYS N N 88 125.192 121.710 3.482 1
1 579 . 5 1 1 A 55 55 ILE H H 89 8.055 8.074 -0.019 1
1 580 . 5 1 1 A 55 55 ILE HA H 89 3.476 3.672 -0.196 1
1 590 . 5 1 1 A 55 55 ILE CA C 89 65.360 65.201 0.159 1
1 591 . 5 1 1 A 55 55 ILE CB C 89 36.300 37.722 -1.422 1
1 595 . 5 1 1 A 55 55 ILE N N 89 122.309 119.628 2.681 1
1 596 . 5 1 1 A 56 56 TRP H H 90 8.749 8.494 0.255 1
1 597 . 5 1 1 A 56 56 TRP HA H 90 3.880 4.145 -0.265 1
1 606 . 5 1 1 A 56 56 TRP CA C 90 60.260 60.512 -0.252 1
1 607 . 5 1 1 A 56 56 TRP CB C 90 27.660 29.841 -2.181 1
1 613 . 5 1 1 A 56 56 TRP N N 90 122.116 122.232 -0.116 1
1 615 . 5 1 1 A 57 57 LYS H H 91 7.581 8.375 -0.794 1
1 616 . 5 1 1 A 57 57 LYS HA H 91 3.910 4.102 -0.192 1
1 625 . 5 1 1 A 57 57 LYS CA C 91 57.790 58.452 -0.662 1
1 626 . 5 1 1 A 57 57 LYS CB C 91 31.300 32.544 -1.244 1
1 630 . 5 1 1 A 57 57 LYS N N 91 116.341 118.146 -1.805 1
1 631 . 5 1 1 A 58 58 LEU H H 92 7.580 7.482 0.098 1
1 632 . 5 1 1 A 58 58 LEU HA H 92 4.000 4.183 -0.183 1
1 642 . 5 1 1 A 58 58 LEU CA C 92 55.780 57.489 -1.709 1
1 643 . 5 1 1 A 58 58 LEU CB C 92 42.570 42.212 0.358 1
1 647 . 5 1 1 A 58 58 LEU N N 92 119.793 118.848 0.945 1
1 648 . 5 1 1 A 59 59 ALA H H 93 8.157 8.011 0.146 1
1 649 . 5 1 1 A 59 59 ALA HA H 93 4.130 4.171 -0.041 1
1 653 . 5 1 1 A 59 59 ALA CA C 93 52.400 54.119 -1.719 1
1 654 . 5 1 1 A 59 59 ALA CB C 93 17.560 18.268 -0.708 1
1 655 . 5 1 1 A 59 59 ALA N N 93 120.126 120.267 -0.141 1
1 656 . 5 1 1 A 60 60 ASP H H 94 7.499 7.524 -0.025 1
1 657 . 5 1 1 A 60 60 ASP HA H 94 4.550 4.900 -0.350 1
1 660 . 5 1 1 A 60 60 ASP CA C 94 50.380 53.079 -2.699 1
1 661 . 5 1 1 A 60 60 ASP CB C 94 35.220 39.903 -4.683 1
1 662 . 5 1 1 A 60 60 ASP N N 94 115.431 118.111 -2.680 1
1 663 . 5 1 1 A 61 61 VAL H H 95 8.352 8.405 -0.053 1
1 664 . 5 1 1 A 61 61 VAL HA H 95 3.510 3.818 -0.308 1
1 672 . 5 1 1 A 61 61 VAL CA C 95 64.360 64.804 -0.444 1
1 673 . 5 1 1 A 61 61 VAL CB C 95 31.330 31.409 -0.079 1
1 676 . 5 1 1 A 61 61 VAL N N 95 129.573 123.192 6.381 1
1 677 . 5 1 1 A 62 62 ASP H H 96 7.927 7.331 0.596 1
1 678 . 5 1 1 A 62 62 ASP HA H 96 4.540 4.571 -0.031 1
1 681 . 5 1 1 A 62 62 ASP CA C 96 51.630 55.040 -3.410 1
1 682 . 5 1 1 A 62 62 ASP CB C 96 38.300 41.190 -2.890 1
1 683 . 5 1 1 A 62 62 ASP N N 96 115.789 121.205 -5.416 1
1 684 . 5 1 1 A 63 63 LYS H H 97 7.551 7.709 -0.158 1
1 685 . 5 1 1 A 63 63 LYS HA H 97 3.880 3.999 -0.119 1
1 694 . 5 1 1 A 63 63 LYS CA C 97 56.450 57.150 -0.700 1
1 695 . 5 1 1 A 63 63 LYS CB C 97 28.000 29.064 -1.064 1
1 699 . 5 1 1 A 63 63 LYS N N 97 115.740 115.436 0.304 1
1 700 . 5 1 1 A 64 64 ASP H H 98 8.363 8.123 0.240 1
1 701 . 5 1 1 A 64 64 ASP HA H 98 4.660 4.779 -0.119 1
1 704 . 5 1 1 A 64 64 ASP CA C 98 52.060 52.971 -0.911 1
1 705 . 5 1 1 A 64 64 ASP CB C 98 39.500 41.624 -2.124 1
1 706 . 5 1 1 A 64 64 ASP N N 98 120.463 117.157 3.306 1
1 707 . 5 1 1 A 65 65 GLY H H 99 10.672 8.306 2.366 1
1 708 . 5 1 1 A 65 65 GLY HA2 H 99 3.910 4.210 -0.300 1
1 709 . 5 1 1 A 65 65 GLY HA3 H 99 4.320 4.403 -0.083 1
1 710 . 5 1 1 A 65 65 GLY CA C 99 45.160 46.222 -1.062 1
1 711 . 5 1 1 A 65 65 GLY N N 99 115.823 110.713 5.110 1
1 712 . 5 1 1 A 66 66 LEU H H 100 8.127 7.948 0.179 1
1 713 . 5 1 1 A 66 66 LEU HA H 100 5.150 4.583 0.567 1
1 723 . 5 1 1 A 66 66 LEU CA C 100 52.200 54.072 -1.872 1
1 724 . 5 1 1 A 66 66 LEU CB C 100 44.490 43.976 0.514 1
1 728 . 5 1 1 A 66 66 LEU N N 100 123.135 122.679 0.456 1
1 729 . 5 1 1 A 67 67 LEU H H 101 8.729 8.921 -0.192 1
1 730 . 5 1 1 A 67 67 LEU HA H 101 5.810 5.355 0.455 1
1 740 . 5 1 1 A 67 67 LEU CA C 101 51.600 53.698 -2.098 1
1 741 . 5 1 1 A 67 67 LEU CB C 101 42.100 42.889 -0.789 1
1 745 . 5 1 1 A 67 67 LEU N N 101 121.189 125.150 -3.961 1
1 746 . 5 1 1 A 68 68 ASP H H 102 9.236 9.162 0.074 1
1 747 . 5 1 1 A 68 68 ASP HA H 102 5.620 4.862 0.758 1
1 750 . 5 1 1 A 68 68 ASP CA C 102 51.160 54.179 -3.019 1
1 751 . 5 1 1 A 68 68 ASP CB C 102 39.750 42.043 -2.293 1
1 752 . 5 1 1 A 68 68 ASP N N 102 124.386 125.320 -0.934 1
1 753 . 5 1 1 A 69 69 ASP H H 103 8.539 8.819 -0.280 1
1 754 . 5 1 1 A 69 69 ASP HA H 103 2.830 3.262 -0.432 1
1 757 . 5 1 1 A 69 69 ASP CA C 103 56.160 56.062 0.098 1
1 758 . 5 1 1 A 69 69 ASP CB C 103 37.160 39.407 -2.247 1
1 759 . 5 1 1 A 69 69 ASP N N 103 117.423 121.123 -3.700 1
1 760 . 5 1 1 A 70 70 GLU H H 104 7.997 8.054 -0.057 1
1 761 . 5 1 1 A 70 70 GLU HA H 104 4.075 4.296 -0.221 1
1 766 . 5 1 1 A 70 70 GLU CA C 104 58.950 59.421 -0.471 1
1 767 . 5 1 1 A 70 70 GLU CB C 104 29.134 29.511 -0.377 1
1 769 . 5 1 1 A 70 70 GLU N N 104 124.895 120.441 4.454 1
1 770 . 5 1 1 A 71 71 GLU H H 105 8.742 8.127 0.615 1
1 771 . 5 1 1 A 71 71 GLU HA H 105 4.048 4.104 -0.056 1
1 776 . 5 1 1 A 71 71 GLU CA C 105 58.570 59.277 -0.707 1
1 777 . 5 1 1 A 71 71 GLU CB C 105 30.270 29.393 0.877 1
1 779 . 5 1 1 A 71 71 GLU N N 105 123.465 120.241 3.224 1
1 780 . 5 1 1 A 72 72 PHE H H 106 9.426 8.687 0.739 1
1 781 . 5 1 1 A 72 72 PHE HA H 106 4.260 4.261 -0.001 1
1 789 . 5 1 1 A 72 72 PHE CA C 106 60.000 61.641 -1.641 1
1 790 . 5 1 1 A 72 72 PHE CB C 106 38.440 39.410 -0.970 1
1 796 . 5 1 1 A 72 72 PHE N N 106 120.806 121.748 -0.942 1
1 797 . 5 1 1 A 73 73 ALA H H 107 8.097 8.212 -0.115 1
1 798 . 5 1 1 A 73 73 ALA HA H 107 3.790 4.121 -0.331 1
1 802 . 5 1 1 A 73 73 ALA CA C 107 54.010 55.396 -1.386 1
1 803 . 5 1 1 A 73 73 ALA CB C 107 16.691 18.087 -1.396 1
1 804 . 5 1 1 A 73 73 ALA N N 107 126.845 121.310 5.535 1
1 805 . 5 1 1 A 74 74 LEU H H 108 8.431 8.081 0.350 1
1 806 . 5 1 1 A 74 74 LEU HA H 108 4.065 3.921 0.144 1
1 816 . 5 1 1 A 74 74 LEU CA C 108 56.811 57.801 -0.990 1
1 817 . 5 1 1 A 74 74 LEU CB C 108 41.090 41.519 -0.429 1
1 821 . 5 1 1 A 74 74 LEU N N 108 121.250 118.846 2.404 1
1 822 . 5 1 1 A 75 75 ALA H H 109 8.663 8.476 0.187 1
1 823 . 5 1 1 A 75 75 ALA HA H 109 3.660 4.011 -0.351 1
1 827 . 5 1 1 A 75 75 ALA CA C 109 54.220 55.691 -1.471 1
1 828 . 5 1 1 A 75 75 ALA CB C 109 15.220 18.238 -3.018 1
1 829 . 5 1 1 A 75 75 ALA N N 109 122.981 122.231 0.750 1
1 830 . 5 1 1 A 76 76 ASN H H 110 7.249 7.879 -0.630 1
1 831 . 5 1 1 A 76 76 ASN HA H 110 3.800 4.077 -0.277 1
1 836 . 5 1 1 A 76 76 ASN CA C 110 55.500 55.853 -0.353 1
1 837 . 5 1 1 A 76 76 ASN CB C 110 36.610 36.703 -0.093 1
1 838 . 5 1 1 A 76 76 ASN N N 110 115.681 116.400 -0.719 1
1 840 . 5 1 1 A 77 77 HIS H H 111 8.345 7.950 0.395 1
1 841 . 5 1 1 A 77 77 HIS HA H 111 4.092 4.138 -0.046 1
1 846 . 5 1 1 A 77 77 HIS CA C 111 59.180 59.796 -0.616 1
1 847 . 5 1 1 A 77 77 HIS CB C 111 30.420 30.270 0.150 1
1 850 . 5 1 1 A 77 77 HIS N N 111 124.686 120.609 4.077 1
1 851 . 5 1 1 A 78 78 LEU H H 112 8.290 8.580 -0.290 1
1 852 . 5 1 1 A 78 78 LEU HA H 112 3.830 3.706 0.124 1
1 862 . 5 1 1 A 78 78 LEU CA C 112 56.115 57.484 -1.369 1
1 863 . 5 1 1 A 78 78 LEU CB C 112 41.000 41.133 -0.133 1
1 867 . 5 1 1 A 78 78 LEU N N 112 119.085 118.651 0.434 1
1 868 . 5 1 1 A 79 79 ILE H H 113 7.792 7.577 0.215 1
1 869 . 5 1 1 A 79 79 ILE HA H 113 3.290 3.814 -0.524 1
1 879 . 5 1 1 A 79 79 ILE CA C 113 65.020 63.787 1.233 1
1 880 . 5 1 1 A 79 79 ILE CB C 113 36.730 37.890 -1.160 1
1 884 . 5 1 1 A 79 79 ILE N N 113 121.304 120.801 0.503 1
1 885 . 5 1 1 A 80 80 LYS H H 114 7.537 8.153 -0.616 1
1 886 . 5 1 1 A 80 80 LYS HA H 114 3.830 4.013 -0.183 1
1 895 . 5 1 1 A 80 80 LYS CA C 114 58.970 59.083 -0.113 1
1 896 . 5 1 1 A 80 80 LYS CB C 114 30.470 32.044 -1.574 1
1 900 . 5 1 1 A 80 80 LYS N N 114 122.150 121.922 0.228 1
1 901 . 5 1 1 A 81 81 VAL H H 115 8.110 7.861 0.249 1
1 902 . 5 1 1 A 81 81 VAL HA H 115 3.740 3.371 0.369 1
1 910 . 5 1 1 A 81 81 VAL CA C 115 64.500 66.795 -2.295 1
1 911 . 5 1 1 A 81 81 VAL CB C 115 30.050 31.400 -1.350 1
1 914 . 5 1 1 A 81 81 VAL N N 115 118.999 119.988 -0.989 1
1 915 . 5 1 1 A 82 82 LYS H H 116 7.853 8.077 -0.224 1
1 916 . 5 1 1 A 82 82 LYS HA H 116 4.550 4.089 0.461 1
1 925 . 5 1 1 A 82 82 LYS CA C 116 56.000 59.790 -3.790 1
1 926 . 5 1 1 A 82 82 LYS CB C 116 30.340 31.882 -1.542 1
1 930 . 5 1 1 A 82 82 LYS N N 116 123.030 120.576 2.454 1
1 931 . 5 1 1 A 83 83 LEU H H 117 8.959 8.258 0.701 1
1 932 . 5 1 1 A 83 83 LEU HA H 117 4.090 4.036 0.054 1
1 942 . 5 1 1 A 83 83 LEU CA C 117 56.620 57.750 -1.130 1
1 943 . 5 1 1 A 83 83 LEU CB C 117 40.361 41.917 -1.556 1
1 947 . 5 1 1 A 83 83 LEU N N 117 125.378 120.563 4.815 1
1 948 . 5 1 1 A 84 84 GLU H H 118 7.817 7.842 -0.025 1
1 949 . 5 1 1 A 84 84 GLU HA H 118 4.164 4.389 -0.225 1
1 954 . 5 1 1 A 84 84 GLU CA C 118 55.600 56.431 -0.831 1
1 955 . 5 1 1 A 84 84 GLU CB C 118 28.600 29.959 -1.359 1
1 957 . 5 1 1 A 84 84 GLU N N 118 119.766 115.933 3.833 1
1 958 . 5 1 1 A 85 85 GLY H H 119 7.862 8.367 -0.505 1
1 959 . 5 1 1 A 85 85 GLY HA2 H 119 3.650 3.762 -0.112 1
1 960 . 5 1 1 A 85 85 GLY HA3 H 119 4.140 3.831 0.309 1
1 961 . 5 1 1 A 85 85 GLY CA C 119 43.690 45.953 -2.263 1
1 962 . 5 1 1 A 85 85 GLY N N 119 107.902 108.154 -0.252 1
1 963 . 5 1 1 A 86 86 HIS H H 120 7.714 7.525 0.189 1
1 964 . 5 1 1 A 86 86 HIS HA H 120 4.680 5.065 -0.385 1
1 969 . 5 1 1 A 86 86 HIS CA C 120 53.900 55.008 -1.108 1
1 970 . 5 1 1 A 86 86 HIS CB C 120 29.390 34.217 -4.827 1
1 972 . 5 1 1 A 86 86 HIS N N 120 122.124 116.813 5.311 1
1 973 . 5 1 1 A 87 87 GLU H H 121 8.491 8.782 -0.291 1
1 974 . 5 1 1 A 87 87 GLU HA H 121 4.310 4.770 -0.460 1
1 979 . 5 1 1 A 87 87 GLU CA C 121 54.000 54.896 -0.896 1
1 980 . 5 1 1 A 87 87 GLU CB C 121 29.120 33.909 -4.789 1
1 982 . 5 1 1 A 87 87 GLU N N 121 121.826 120.049 1.777 1
1 983 . 5 1 1 A 88 88 LEU H H 122 8.672 8.601 0.071 1
1 984 . 5 1 1 A 88 88 LEU HA H 122 4.420 4.966 -0.546 1
1 994 . 5 1 1 A 88 88 LEU CA C 122 50.777 51.352 -0.575 1
1 995 . 5 1 1 A 88 88 LEU CB C 122 39.986 43.492 -3.506 1
1 999 . 5 1 1 A 88 88 LEU N N 122 125.316 122.564 2.752 1
1 1000 . 5 1 1 A 89 89 PRO HA H 123 4.570 4.487 0.083 1
1 1007 . 5 1 1 A 89 89 PRO CA C 123 60.690 63.627 -2.937 1
1 1008 . 5 1 1 A 89 89 PRO CB C 123 30.320 32.099 -1.779 1
1 1011 . 5 1 1 A 90 90 ALA H H 124 8.451 7.981 0.470 1
1 1012 . 5 1 1 A 90 90 ALA HA H 124 4.080 3.946 0.134 1
1 1016 . 5 1 1 A 90 90 ALA CA C 124 52.700 53.415 -0.715 1
1 1017 . 5 1 1 A 90 90 ALA CB C 124 17.760 17.522 0.238 1
1 1018 . 5 1 1 A 90 90 ALA N N 124 123.603 120.017 3.586 1
1 1019 . 5 1 1 A 91 91 ASP H H 125 7.473 7.802 -0.329 1
1 1020 . 5 1 1 A 91 91 ASP HA H 125 4.640 5.058 -0.418 1
1 1023 . 5 1 1 A 91 91 ASP CA C 125 50.340 52.272 -1.932 1
1 1024 . 5 1 1 A 91 91 ASP CB C 125 42.620 43.926 -1.306 1
1 1025 . 5 1 1 A 91 91 ASP N N 125 115.317 116.263 -0.946 1
1 1026 . 5 1 1 A 92 92 LEU H H 126 8.883 8.819 0.064 1
1 1027 . 5 1 1 A 92 92 LEU HA H 126 4.200 4.983 -0.783 1
1 1037 . 5 1 1 A 92 92 LEU CA C 126 51.930 51.464 0.466 1
1 1038 . 5 1 1 A 92 92 LEU CB C 126 41.032 43.626 -2.594 1
1 1042 . 5 1 1 A 92 92 LEU N N 126 125.329 122.628 2.701 1
1 1043 . 5 1 1 A 93 93 PRO HA H 127 4.870 4.449 0.421 1
1 1050 . 5 1 1 A 93 93 PRO CA C 127 59.820 62.122 -2.302 1
1 1051 . 5 1 1 A 93 93 PRO CB C 127 29.800 32.205 -2.405 1
1 1054 . 5 1 1 A 94 94 PRO HA H 128 4.230 4.163 0.067 1
1 1061 . 5 1 1 A 94 94 PRO CA C 128 64.560 65.228 -0.668 1
1 1062 . 5 1 1 A 94 94 PRO CB C 128 30.900 31.815 -0.915 1
1 1065 . 5 1 1 A 95 95 HIS H H 129 7.922 7.969 -0.047 1
1 1066 . 5 1 1 A 95 95 HIS HA H 129 4.650 4.589 0.061 1
1 1071 . 5 1 1 A 95 95 HIS CA C 129 56.810 55.818 0.992 1
1 1072 . 5 1 1 A 95 95 HIS CB C 129 28.100 30.409 -2.309 1
1 1075 . 5 1 1 A 95 95 HIS N N 129 112.757 114.525 -1.768 1
1 1076 . 5 1 1 A 96 96 LEU H H 130 7.709 7.857 -0.148 1
1 1077 . 5 1 1 A 96 96 LEU HA H 130 4.646 4.658 -0.012 1
1 1087 . 5 1 1 A 96 96 LEU CA C 130 53.100 54.386 -1.286 1
1 1088 . 5 1 1 A 96 96 LEU CB C 130 42.210 42.817 -0.607 1
1 1092 . 5 1 1 A 96 96 LEU N N 130 121.128 118.840 2.288 1
1 1093 . 5 1 1 A 97 97 VAL H H 131 7.184 7.655 -0.471 1
1 1094 . 5 1 1 A 97 97 VAL HA H 131 3.730 4.184 -0.454 1
1 1102 . 5 1 1 A 97 97 VAL CA C 131 60.520 59.715 0.805 1
1 1103 . 5 1 1 A 97 97 VAL CB C 131 31.310 32.051 -0.741 1
1 1106 . 5 1 1 A 97 97 VAL N N 131 125.572 121.338 4.234 1
1 1107 . 5 1 1 A 98 98 PRO HA H 132 2.700 4.389 -1.689 1
1 1114 . 5 1 1 A 98 98 PRO CA C 132 59.400 61.757 -2.357 1
1 1115 . 5 1 1 A 98 98 PRO CB C 132 30.250 32.165 -1.915 1
1 1118 . 5 1 1 A 99 99 PRO HA H 133 3.620 4.305 -0.685 1
1 1125 . 5 1 1 A 99 99 PRO CA C 133 64.760 64.500 0.260 1
1 1126 . 5 1 1 A 99 99 PRO CB C 133 30.770 31.590 -0.820 1
1 1129 . 5 1 1 A 100 100 SER H H 134 9.195 8.168 1.027 1
1 1130 . 5 1 1 A 100 100 SER HA H 134 4.150 4.382 -0.232 1
1 1133 . 5 1 1 A 100 100 SER CA C 134 59.660 59.650 0.010 1
1 1134 . 5 1 1 A 100 100 SER CB C 134 61.320 63.267 -1.947 1
1 1135 . 5 1 1 A 100 100 SER N N 134 115.005 112.654 2.351 1
1 1136 . 5 1 1 A 101 101 LYS H H 135 7.867 7.458 0.409 1
1 1137 . 5 1 1 A 101 101 LYS HA H 135 4.480 4.475 0.005 1
1 1146 . 5 1 1 A 101 101 LYS CA C 135 52.490 55.537 -3.047 1
1 1147 . 5 1 1 A 101 101 LYS CB C 135 30.600 32.877 -2.277 1
1 1151 . 5 1 1 A 101 101 LYS N N 135 121.053 120.011 1.042 1
1 1152 . 5 1 1 A 102 102 ARG H H 136 7.077 7.397 -0.320 1
1 1153 . 5 1 1 A 102 102 ARG HA H 136 4.110 4.271 -0.161 1
1 1164 . 5 1 1 A 102 102 ARG CA C 136 55.440 56.107 -0.667 1
1 1165 . 5 1 1 A 102 102 ARG CB C 136 29.100 31.174 -2.074 1
1 1168 . 5 1 1 A 102 102 ARG N N 136 121.939 120.110 1.829 1
1 1169 . 5 1 1 A 103 103 ARG H H 137 8.289 8.726 -0.437 1
1 1170 . 5 1 1 A 103 103 ARG HA H 137 4.300 4.944 -0.644 1
1 1181 . 5 1 1 A 103 103 ARG CA C 137 54.100 54.288 -0.188 1
1 1182 . 5 1 1 A 103 103 ARG CB C 137 29.700 33.744 -4.044 1
1 1185 . 5 1 1 A 103 103 ARG N N 137 123.504 123.158 0.346 1
1 1186 . 5 1 1 A 104 104 HIS H H 138 8.370 8.709 -0.339 1
1 1187 . 5 1 1 A 104 104 HIS HA H 138 4.678 4.555 0.123 1
1 1192 . 5 1 1 A 104 104 HIS CA C 138 54.110 57.393 -3.283 1
1 1193 . 5 1 1 A 104 104 HIS CB C 138 28.730 29.850 -1.120 1
1 1 . 6 1 1 A 7 7 ASP H H 41 8.479 8.265 0.214 1
1 2 . 6 1 1 A 7 7 ASP HA H 41 4.650 5.065 -0.415 1
1 5 . 6 1 1 A 7 7 ASP CA C 41 53.120 53.212 -0.092 1
1 6 . 6 1 1 A 7 7 ASP CB C 41 39.840 40.666 -0.826 1
1 7 . 6 1 1 A 7 7 ASP N N 41 124.447 124.357 0.090 1
1 8 . 6 1 1 A 8 8 VAL H H 42 7.916 8.263 -0.347 1
1 9 . 6 1 1 A 8 8 VAL HA H 42 4.150 4.273 -0.123 1
1 17 . 6 1 1 A 8 8 VAL CA C 42 60.500 61.895 -1.395 1
1 18 . 6 1 1 A 8 8 VAL CB C 42 31.540 32.396 -0.856 1
1 21 . 6 1 1 A 8 8 VAL N N 42 120.853 121.144 -0.291 1
1 22 . 6 1 1 A 9 9 GLU H H 43 8.476 8.651 -0.175 1
1 23 . 6 1 1 A 9 9 GLU HA H 43 4.300 4.755 -0.455 1
1 28 . 6 1 1 A 9 9 GLU CA C 43 55.400 55.631 -0.231 1
1 29 . 6 1 1 A 9 9 GLU CB C 43 29.120 30.662 -1.542 1
1 31 . 6 1 1 A 9 9 GLU N N 43 127.650 125.948 1.702 1
1 32 . 6 1 1 A 10 10 TRP H H 44 8.839 8.888 -0.049 1
1 33 . 6 1 1 A 10 10 TRP HA H 44 5.240 4.827 0.413 1
1 42 . 6 1 1 A 10 10 TRP CA C 44 54.290 56.134 -1.844 1
1 43 . 6 1 1 A 10 10 TRP CB C 44 27.330 29.431 -2.101 1
1 49 . 6 1 1 A 10 10 TRP N N 44 126.406 127.489 -1.083 1
1 50 . 6 1 1 A 11 11 VAL H H 45 9.230 8.358 0.872 1
1 51 . 6 1 1 A 11 11 VAL HA H 45 3.900 3.830 0.070 1
1 59 . 6 1 1 A 11 11 VAL CA C 45 63.500 64.705 -1.205 1
1 60 . 6 1 1 A 11 11 VAL CB C 45 30.420 31.305 -0.885 1
1 63 . 6 1 1 A 11 11 VAL N N 45 131.353 125.817 5.536 1
1 64 . 6 1 1 A 12 12 VAL H H 46 5.020 7.151 -2.131 1
1 65 . 6 1 1 A 12 12 VAL HA H 46 3.050 3.876 -0.826 1
1 73 . 6 1 1 A 12 12 VAL CA C 46 60.540 64.671 -4.131 1
1 74 . 6 1 1 A 12 12 VAL CB C 46 29.280 31.498 -2.218 1
1 77 . 6 1 1 A 13 13 GLY H H 47 7.330 8.775 -1.445 1
1 78 . 6 1 1 A 13 13 GLY HA2 H 47 3.600 4.117 -0.517 1
1 79 . 6 1 1 A 13 13 GLY HA3 H 47 4.194 4.161 0.033 1
1 80 . 6 1 1 A 13 13 GLY CA C 47 46.400 46.763 -0.363 1
1 81 . 6 1 1 A 14 14 LYS H H 48 7.581 7.872 -0.291 1
1 82 . 6 1 1 A 14 14 LYS HA H 48 4.077 4.091 -0.014 1
1 91 . 6 1 1 A 14 14 LYS CA C 48 57.420 58.979 -1.559 1
1 92 . 6 1 1 A 14 14 LYS CB C 48 30.490 32.581 -2.091 1
1 96 . 6 1 1 A 14 14 LYS N N 48 121.084 120.325 0.759 1
1 97 . 6 1 1 A 15 15 ASP H H 49 7.309 7.623 -0.314 1
1 98 . 6 1 1 A 15 15 ASP HA H 49 4.770 4.805 -0.035 1
1 101 . 6 1 1 A 15 15 ASP CA C 49 52.880 52.353 0.527 1
1 102 . 6 1 1 A 15 15 ASP CB C 49 41.910 41.649 0.261 1
1 103 . 6 1 1 A 15 15 ASP N N 49 118.181 119.665 -1.484 1
1 104 . 6 1 1 A 16 16 LYS H H 50 7.506 8.062 -0.556 1
1 105 . 6 1 1 A 16 16 LYS HA H 50 4.068 4.184 -0.116 1
1 114 . 6 1 1 A 16 16 LYS CA C 50 60.180 61.463 -1.283 1
1 115 . 6 1 1 A 16 16 LYS CB C 50 30.193 30.247 -0.054 1
1 119 . 6 1 1 A 16 16 LYS N N 50 123.633 123.533 0.100 1
1 120 . 6 1 1 A 17 17 PRO HA H 51 4.440 4.402 0.038 1
1 127 . 6 1 1 A 17 17 PRO CA C 51 65.660 65.418 0.242 1
1 128 . 6 1 1 A 17 17 PRO CB C 51 29.600 31.348 -1.748 1
1 131 . 6 1 1 A 18 18 THR H H 52 7.280 7.549 -0.269 1
1 132 . 6 1 1 A 18 18 THR HA H 52 3.980 4.044 -0.064 1
1 137 . 6 1 1 A 18 18 THR CA C 52 64.440 65.249 -0.809 1
1 138 . 6 1 1 A 18 18 THR CB C 52 67.210 68.177 -0.967 1
1 140 . 6 1 1 A 18 18 THR N N 52 115.095 111.961 3.134 1
1 141 . 6 1 1 A 19 19 TYR H H 53 7.083 7.355 -0.272 1
1 142 . 6 1 1 A 19 19 TYR HA H 53 4.728 4.512 0.216 1
1 149 . 6 1 1 A 19 19 TYR CA C 53 57.110 62.170 -5.060 1
1 150 . 6 1 1 A 19 19 TYR CB C 53 35.170 37.245 -2.075 1
1 155 . 6 1 1 A 19 19 TYR N N 53 125.380 119.707 5.673 1
1 156 . 6 1 1 A 20 20 ASP H H 54 9.588 8.575 1.013 1
1 157 . 6 1 1 A 20 20 ASP HA H 54 4.520 4.589 -0.069 1
1 160 . 6 1 1 A 20 20 ASP CA C 54 55.515 57.821 -2.306 1
1 161 . 6 1 1 A 20 20 ASP CB C 54 38.740 41.513 -2.773 1
1 162 . 6 1 1 A 20 20 ASP N N 54 124.548 122.051 2.497 1
1 163 . 6 1 1 A 21 21 GLU H H 55 7.309 8.270 -0.961 1
1 164 . 6 1 1 A 21 21 GLU HA H 55 4.140 4.173 -0.033 1
1 169 . 6 1 1 A 21 21 GLU CA C 55 58.100 59.304 -1.204 1
1 170 . 6 1 1 A 21 21 GLU CB C 55 28.400 29.621 -1.221 1
1 172 . 6 1 1 A 21 21 GLU N N 55 118.181 119.224 -1.043 1
1 173 . 6 1 1 A 22 22 ILE H H 56 7.249 7.897 -0.648 1
1 174 . 6 1 1 A 22 22 ILE HA H 56 3.946 4.125 -0.179 1
1 184 . 6 1 1 A 22 22 ILE CA C 56 62.400 64.469 -2.069 1
1 185 . 6 1 1 A 22 22 ILE CB C 56 37.597 37.266 0.331 1
1 189 . 6 1 1 A 22 22 ILE N N 56 118.978 120.939 -1.961 1
1 190 . 6 1 1 A 23 23 PHE H H 57 9.117 8.787 0.330 1
1 191 . 6 1 1 A 23 23 PHE HA H 57 3.100 3.770 -0.670 1
1 199 . 6 1 1 A 23 23 PHE CA C 57 61.330 61.513 -0.183 1
1 200 . 6 1 1 A 23 23 PHE CB C 57 38.250 39.159 -0.909 1
1 206 . 6 1 1 A 23 23 PHE N N 57 127.639 122.271 5.368 1
1 207 . 6 1 1 A 24 24 TYR H H 58 7.903 8.719 -0.816 1
1 208 . 6 1 1 A 24 24 TYR HA H 58 4.000 4.590 -0.590 1
1 215 . 6 1 1 A 24 24 TYR CA C 58 60.480 61.179 -0.699 1
1 216 . 6 1 1 A 24 24 TYR CB C 58 36.086 37.990 -1.904 1
1 221 . 6 1 1 A 24 24 TYR N N 58 112.757 115.854 -3.097 1
1 222 . 6 1 1 A 25 25 THR H H 59 8.081 7.836 0.245 1
1 223 . 6 1 1 A 25 25 THR HA H 59 4.650 4.352 0.298 1
1 229 . 6 1 1 A 25 25 THR CA C 59 61.770 63.154 -1.384 1
1 230 . 6 1 1 A 25 25 THR CB C 59 68.700 69.297 -0.597 1
1 232 . 6 1 1 A 25 25 THR N N 59 112.676 111.196 1.480 1
1 233 . 6 1 1 A 26 26 LEU H H 60 7.373 7.259 0.114 1
1 234 . 6 1 1 A 26 26 LEU HA H 60 4.470 4.317 0.153 1
1 244 . 6 1 1 A 26 26 LEU CA C 60 52.330 54.179 -1.849 1
1 245 . 6 1 1 A 26 26 LEU CB C 60 38.700 42.061 -3.361 1
1 249 . 6 1 1 A 26 26 LEU N N 60 125.808 120.872 4.936 1
1 250 . 6 1 1 A 27 27 SER H H 61 7.860 7.903 -0.043 1
1 251 . 6 1 1 A 27 27 SER HA H 61 3.990 4.147 -0.157 1
1 254 . 6 1 1 A 27 27 SER CA C 61 56.300 58.584 -2.284 1
1 255 . 6 1 1 A 27 27 SER CB C 61 60.230 61.708 -1.478 1
1 256 . 6 1 1 A 27 27 SER N N 61 111.582 113.066 -1.484 1
1 257 . 6 1 1 A 28 28 PRO HA H 62 4.210 4.412 -0.202 1
1 264 . 6 1 1 A 28 28 PRO CA C 62 61.600 62.129 -0.529 1
1 265 . 6 1 1 A 28 28 PRO CB C 62 29.890 32.275 -2.385 1
1 268 . 6 1 1 A 29 29 VAL H H 63 8.750 9.167 -0.417 1
1 269 . 6 1 1 A 29 29 VAL HA H 63 4.180 4.536 -0.356 1
1 277 . 6 1 1 A 29 29 VAL CA C 63 60.660 59.746 0.914 1
1 278 . 6 1 1 A 29 29 VAL CB C 63 32.878 34.355 -1.477 1
1 281 . 6 1 1 A 29 29 VAL N N 63 124.299 121.510 2.789 1
1 282 . 6 1 1 A 30 30 ASN H H 64 9.713 9.517 0.196 1
1 283 . 6 1 1 A 30 30 ASN HA H 64 4.420 4.471 -0.051 1
1 288 . 6 1 1 A 30 30 ASN CA C 64 52.940 54.597 -1.657 1
1 289 . 6 1 1 A 30 30 ASN CB C 64 36.300 37.046 -0.746 1
1 290 . 6 1 1 A 30 30 ASN N N 64 129.729 128.714 1.015 1
1 292 . 6 1 1 A 31 31 GLY H H 65 8.862 8.619 0.243 1
1 293 . 6 1 1 A 31 31 GLY HA2 H 65 3.760 3.902 -0.142 1
1 294 . 6 1 1 A 31 31 GLY HA3 H 65 4.260 3.936 0.324 1
1 295 . 6 1 1 A 31 31 GLY CA C 65 44.260 45.449 -1.189 1
1 296 . 6 1 1 A 31 31 GLY N N 65 130.591 104.621 25.970 1
1 297 . 6 1 1 A 32 32 LYS H H 66 7.501 8.047 -0.546 1
1 298 . 6 1 1 A 32 32 LYS HA H 66 5.420 5.126 0.294 1
1 307 . 6 1 1 A 32 32 LYS CA C 66 53.900 54.398 -0.498 1
1 308 . 6 1 1 A 32 32 LYS CB C 66 36.200 35.687 0.513 1
1 312 . 6 1 1 A 32 32 LYS N N 66 118.738 119.859 -1.121 1
1 313 . 6 1 1 A 33 33 ILE H H 67 9.230 9.122 0.108 1
1 314 . 6 1 1 A 33 33 ILE HA H 67 5.030 4.745 0.285 1
1 324 . 6 1 1 A 33 33 ILE CA C 67 57.470 59.553 -2.083 1
1 325 . 6 1 1 A 33 33 ILE CB C 67 39.880 40.237 -0.357 1
1 329 . 6 1 1 A 33 33 ILE N N 67 118.166 119.249 -1.083 1
1 330 . 6 1 1 A 34 34 THR H H 68 8.242 8.611 -0.369 1
1 331 . 6 1 1 A 34 34 THR HA H 68 4.560 4.578 -0.018 1
1 337 . 6 1 1 A 34 34 THR CA C 68 58.970 62.187 -3.217 1
1 338 . 6 1 1 A 34 34 THR CB C 68 69.910 69.535 0.375 1
1 340 . 6 1 1 A 34 34 THR N N 68 111.971 120.093 -8.122 1
1 341 . 6 1 1 A 35 35 GLY H H 69 8.987 8.524 0.463 1
1 342 . 6 1 1 A 35 35 GLY HA2 H 69 3.530 3.676 -0.146 1
1 343 . 6 1 1 A 35 35 GLY HA3 H 69 3.830 3.947 -0.117 1
1 344 . 6 1 1 A 35 35 GLY CA C 69 46.900 46.536 0.364 1
1 345 . 6 1 1 A 35 35 GLY N N 69 110.332 113.666 -3.334 1
1 346 . 6 1 1 A 36 36 ALA H H 70 8.289 7.901 0.388 1
1 347 . 6 1 1 A 36 36 ALA HA H 70 3.890 3.952 -0.062 1
1 351 . 6 1 1 A 36 36 ALA CA C 70 53.830 54.833 -1.003 1
1 352 . 6 1 1 A 36 36 ALA CB C 70 16.900 18.696 -1.796 1
1 353 . 6 1 1 A 36 36 ALA N N 70 123.588 123.404 0.184 1
1 354 . 6 1 1 A 37 37 ASN H H 71 7.550 8.385 -0.835 1
1 355 . 6 1 1 A 37 37 ASN HA H 71 4.690 4.409 0.281 1
1 360 . 6 1 1 A 37 37 ASN CA C 71 54.000 55.814 -1.814 1
1 361 . 6 1 1 A 37 37 ASN CB C 71 36.300 37.353 -1.053 1
1 362 . 6 1 1 A 37 37 ASN N N 71 118.594 116.051 2.543 1
1 364 . 6 1 1 A 38 38 ALA H H 72 8.825 8.116 0.709 1
1 365 . 6 1 1 A 38 38 ALA HA H 72 4.110 4.161 -0.051 1
1 369 . 6 1 1 A 38 38 ALA CA C 72 54.340 55.630 -1.290 1
1 370 . 6 1 1 A 38 38 ALA CB C 72 17.970 18.571 -0.601 1
1 371 . 6 1 1 A 38 38 ALA N N 72 123.885 121.656 2.229 1
1 372 . 6 1 1 A 39 39 LYS H H 73 8.798 7.819 0.979 1
1 373 . 6 1 1 A 39 39 LYS HA H 73 3.940 3.923 0.017 1
1 382 . 6 1 1 A 39 39 LYS CA C 73 59.000 59.497 -0.497 1
1 383 . 6 1 1 A 39 39 LYS CB C 73 30.880 31.995 -1.115 1
1 387 . 6 1 1 A 39 39 LYS N N 73 120.109 118.569 1.540 1
1 388 . 6 1 1 A 40 40 LYS H H 74 7.295 8.092 -0.797 1
1 389 . 6 1 1 A 40 40 LYS HA H 74 3.990 3.961 0.029 1
1 398 . 6 1 1 A 40 40 LYS CA C 74 58.240 59.838 -1.598 1
1 399 . 6 1 1 A 40 40 LYS CB C 74 30.900 32.356 -1.456 1
1 403 . 6 1 1 A 40 40 LYS N N 74 118.573 118.680 -0.107 1
1 404 . 6 1 1 A 41 41 GLU H H 75 7.111 8.033 -0.922 1
1 405 . 6 1 1 A 41 41 GLU HA H 75 4.450 4.129 0.321 1
1 410 . 6 1 1 A 41 41 GLU CA C 75 56.260 59.518 -3.258 1
1 411 . 6 1 1 A 41 41 GLU CB C 75 28.900 29.106 -0.206 1
1 413 . 6 1 1 A 41 41 GLU N N 75 117.503 118.866 -1.363 1
1 414 . 6 1 1 A 42 42 MET H H 76 8.672 8.180 0.492 1
1 415 . 6 1 1 A 42 42 MET HA H 76 4.020 4.198 -0.178 1
1 423 . 6 1 1 A 42 42 MET CA C 76 58.980 58.843 0.137 1
1 424 . 6 1 1 A 42 42 MET CB C 76 33.270 33.133 0.137 1
1 427 . 6 1 1 A 42 42 MET N N 76 121.435 119.033 2.402 1
1 428 . 6 1 1 A 43 43 VAL H H 77 8.703 8.076 0.627 1
1 429 . 6 1 1 A 43 43 VAL HA H 77 4.070 3.971 0.099 1
1 437 . 6 1 1 A 43 43 VAL CA C 77 63.490 65.246 -1.756 1
1 438 . 6 1 1 A 43 43 VAL CB C 77 30.570 31.358 -0.788 1
1 441 . 6 1 1 A 43 43 VAL N N 77 117.135 114.622 2.513 1
1 442 . 6 1 1 A 44 44 LYS H H 78 7.475 7.694 -0.219 1
1 443 . 6 1 1 A 44 44 LYS HA H 78 4.130 4.232 -0.102 1
1 452 . 6 1 1 A 44 44 LYS CA C 78 57.760 58.036 -0.276 1
1 453 . 6 1 1 A 44 44 LYS CB C 78 30.990 32.581 -1.591 1
1 457 . 6 1 1 A 44 44 LYS N N 78 124.308 120.638 3.670 1
1 458 . 6 1 1 A 45 45 SER H H 79 7.534 7.586 -0.052 1
1 459 . 6 1 1 A 45 45 SER HA H 79 4.080 4.531 -0.451 1
1 462 . 6 1 1 A 45 45 SER CA C 79 59.440 58.429 1.011 1
1 463 . 6 1 1 A 45 45 SER CB C 79 64.580 63.350 1.230 1
1 464 . 6 1 1 A 45 45 SER N N 79 114.575 112.423 2.152 1
1 465 . 6 1 1 A 46 46 LYS H H 80 7.822 7.877 -0.055 1
1 466 . 6 1 1 A 46 46 LYS HA H 80 3.940 3.932 0.008 1
1 475 . 6 1 1 A 46 46 LYS CA C 80 57.020 57.691 -0.671 1
1 476 . 6 1 1 A 46 46 LYS CB C 80 27.840 29.001 -1.161 1
1 480 . 6 1 1 A 46 46 LYS N N 80 114.855 117.532 -2.677 1
1 481 . 6 1 1 A 47 47 LEU H H 81 7.486 7.870 -0.384 1
1 482 . 6 1 1 A 47 47 LEU HA H 81 4.490 4.549 -0.059 1
1 492 . 6 1 1 A 47 47 LEU CA C 81 52.000 52.541 -0.541 1
1 493 . 6 1 1 A 47 47 LEU CB C 81 40.400 41.475 -1.075 1
1 497 . 6 1 1 A 47 47 LEU N N 81 122.848 120.164 2.684 1
1 498 . 6 1 1 A 48 48 PRO HA H 82 4.520 4.583 -0.063 1
1 505 . 6 1 1 A 48 48 PRO CA C 82 60.910 62.548 -1.638 1
1 506 . 6 1 1 A 48 48 PRO CB C 82 31.550 32.647 -1.097 1
1 509 . 6 1 1 A 49 49 ASN H H 83 7.580 8.722 -1.142 1
1 510 . 6 1 1 A 49 49 ASN HA H 83 4.270 4.387 -0.117 1
1 515 . 6 1 1 A 49 49 ASN CA C 83 56.000 56.278 -0.278 1
1 516 . 6 1 1 A 49 49 ASN CB C 83 36.900 38.185 -1.285 1
1 518 . 6 1 1 A 50 50 THR H H 84 7.260 8.073 -0.813 1
1 519 . 6 1 1 A 50 50 THR HA H 84 4.020 3.982 0.038 1
1 524 . 6 1 1 A 50 50 THR CA C 84 63.474 66.974 -3.500 1
1 525 . 6 1 1 A 50 50 THR CB C 84 66.850 68.718 -1.868 1
1 527 . 6 1 1 A 51 51 VAL H H 85 6.887 8.128 -1.241 1
1 528 . 6 1 1 A 51 51 VAL HA H 85 3.660 3.747 -0.087 1
1 536 . 6 1 1 A 51 51 VAL CA C 85 64.300 67.576 -3.276 1
1 537 . 6 1 1 A 51 51 VAL CB C 85 30.500 31.632 -1.132 1
1 540 . 6 1 1 A 51 51 VAL N N 85 125.031 121.756 3.275 1
1 541 . 6 1 1 A 52 52 LEU H H 86 8.006 8.357 -0.351 1
1 542 . 6 1 1 A 52 52 LEU HA H 86 3.710 4.071 -0.361 1
1 552 . 6 1 1 A 52 52 LEU CA C 86 56.600 58.521 -1.921 1
1 553 . 6 1 1 A 52 52 LEU CB C 86 38.940 41.858 -2.918 1
1 557 . 6 1 1 A 52 52 LEU N N 86 121.391 119.606 1.785 1
1 558 . 6 1 1 A 53 53 GLY H H 87 8.438 8.579 -0.141 1
1 559 . 6 1 1 A 53 53 GLY HA2 H 87 3.850 3.811 0.039 1
1 560 . 6 1 1 A 53 53 GLY HA3 H 87 3.990 3.830 0.160 1
1 561 . 6 1 1 A 53 53 GLY CA C 87 46.200 47.194 -0.994 1
1 562 . 6 1 1 A 53 53 GLY N N 87 108.191 105.926 2.265 1
1 563 . 6 1 1 A 54 54 LYS H H 88 7.300 8.119 -0.819 1
1 564 . 6 1 1 A 54 54 LYS HA H 88 4.130 4.082 0.048 1
1 573 . 6 1 1 A 54 54 LYS CA C 88 57.890 59.051 -1.161 1
1 574 . 6 1 1 A 54 54 LYS CB C 88 31.000 31.832 -0.832 1
1 578 . 6 1 1 A 54 54 LYS N N 88 125.192 121.058 4.134 1
1 579 . 6 1 1 A 55 55 ILE H H 89 8.055 8.276 -0.221 1
1 580 . 6 1 1 A 55 55 ILE HA H 89 3.476 3.675 -0.199 1
1 590 . 6 1 1 A 55 55 ILE CA C 89 65.360 65.486 -0.126 1
1 591 . 6 1 1 A 55 55 ILE CB C 89 36.300 37.815 -1.515 1
1 595 . 6 1 1 A 55 55 ILE N N 89 122.309 120.721 1.588 1
1 596 . 6 1 1 A 56 56 TRP H H 90 8.749 8.457 0.292 1
1 597 . 6 1 1 A 56 56 TRP HA H 90 3.880 4.224 -0.344 1
1 606 . 6 1 1 A 56 56 TRP CA C 90 60.260 60.633 -0.373 1
1 607 . 6 1 1 A 56 56 TRP CB C 90 27.660 29.818 -2.158 1
1 613 . 6 1 1 A 56 56 TRP N N 90 122.116 122.203 -0.087 1
1 615 . 6 1 1 A 57 57 LYS H H 91 7.581 8.127 -0.546 1
1 616 . 6 1 1 A 57 57 LYS HA H 91 3.910 4.114 -0.204 1
1 625 . 6 1 1 A 57 57 LYS CA C 91 57.790 58.930 -1.140 1
1 626 . 6 1 1 A 57 57 LYS CB C 91 31.300 32.010 -0.710 1
1 630 . 6 1 1 A 57 57 LYS N N 91 116.341 117.905 -1.564 1
1 631 . 6 1 1 A 58 58 LEU H H 92 7.580 7.376 0.204 1
1 632 . 6 1 1 A 58 58 LEU HA H 92 4.000 4.187 -0.187 1
1 642 . 6 1 1 A 58 58 LEU CA C 92 55.780 57.584 -1.804 1
1 643 . 6 1 1 A 58 58 LEU CB C 92 42.570 42.130 0.440 1
1 647 . 6 1 1 A 58 58 LEU N N 92 119.793 119.544 0.249 1
1 648 . 6 1 1 A 59 59 ALA H H 93 8.157 8.311 -0.154 1
1 649 . 6 1 1 A 59 59 ALA HA H 93 4.130 4.131 -0.001 1
1 653 . 6 1 1 A 59 59 ALA CA C 93 52.400 54.448 -2.048 1
1 654 . 6 1 1 A 59 59 ALA CB C 93 17.560 18.183 -0.623 1
1 655 . 6 1 1 A 59 59 ALA N N 93 120.126 121.259 -1.133 1
1 656 . 6 1 1 A 60 60 ASP H H 94 7.499 7.631 -0.132 1
1 657 . 6 1 1 A 60 60 ASP HA H 94 4.550 4.420 0.130 1
1 660 . 6 1 1 A 60 60 ASP CA C 94 50.380 53.574 -3.194 1
1 661 . 6 1 1 A 60 60 ASP CB C 94 35.220 40.002 -4.782 1
1 662 . 6 1 1 A 60 60 ASP N N 94 115.431 117.782 -2.351 1
1 663 . 6 1 1 A 61 61 VAL H H 95 8.352 8.518 -0.166 1
1 664 . 6 1 1 A 61 61 VAL HA H 95 3.510 3.915 -0.405 1
1 672 . 6 1 1 A 61 61 VAL CA C 95 64.360 65.490 -1.130 1
1 673 . 6 1 1 A 61 61 VAL CB C 95 31.330 30.805 0.525 1
1 676 . 6 1 1 A 61 61 VAL N N 95 129.573 124.876 4.697 1
1 677 . 6 1 1 A 62 62 ASP H H 96 7.927 7.638 0.289 1
1 678 . 6 1 1 A 62 62 ASP HA H 96 4.540 4.625 -0.085 1
1 681 . 6 1 1 A 62 62 ASP CA C 96 51.630 53.961 -2.331 1
1 682 . 6 1 1 A 62 62 ASP CB C 96 38.300 40.755 -2.455 1
1 683 . 6 1 1 A 62 62 ASP N N 96 115.789 119.927 -4.138 1
1 684 . 6 1 1 A 63 63 LYS H H 97 7.551 7.919 -0.368 1
1 685 . 6 1 1 A 63 63 LYS HA H 97 3.880 3.910 -0.030 1
1 694 . 6 1 1 A 63 63 LYS CA C 97 56.450 57.082 -0.632 1
1 695 . 6 1 1 A 63 63 LYS CB C 97 28.000 29.335 -1.335 1
1 699 . 6 1 1 A 63 63 LYS N N 97 115.740 116.567 -0.827 1
1 700 . 6 1 1 A 64 64 ASP H H 98 8.363 8.204 0.159 1
1 701 . 6 1 1 A 64 64 ASP HA H 98 4.660 4.702 -0.042 1
1 704 . 6 1 1 A 64 64 ASP CA C 98 52.060 52.993 -0.933 1
1 705 . 6 1 1 A 64 64 ASP CB C 98 39.500 40.522 -1.022 1
1 706 . 6 1 1 A 64 64 ASP N N 98 120.463 118.850 1.613 1
1 707 . 6 1 1 A 65 65 GLY H H 99 10.672 9.313 1.359 1
1 708 . 6 1 1 A 65 65 GLY HA2 H 99 3.910 4.098 -0.188 1
1 709 . 6 1 1 A 65 65 GLY HA3 H 99 4.320 4.380 -0.060 1
1 710 . 6 1 1 A 65 65 GLY CA C 99 45.160 45.800 -0.640 1
1 711 . 6 1 1 A 65 65 GLY N N 99 115.823 111.188 4.635 1
1 712 . 6 1 1 A 66 66 LEU H H 100 8.127 7.968 0.159 1
1 713 . 6 1 1 A 66 66 LEU HA H 100 5.150 5.232 -0.082 1
1 723 . 6 1 1 A 66 66 LEU CA C 100 52.200 53.179 -0.979 1
1 724 . 6 1 1 A 66 66 LEU CB C 100 44.490 44.409 0.081 1
1 728 . 6 1 1 A 66 66 LEU N N 100 123.135 122.855 0.280 1
1 729 . 6 1 1 A 67 67 LEU H H 101 8.729 9.296 -0.567 1
1 730 . 6 1 1 A 67 67 LEU HA H 101 5.810 5.260 0.550 1
1 740 . 6 1 1 A 67 67 LEU CA C 101 51.600 53.718 -2.118 1
1 741 . 6 1 1 A 67 67 LEU CB C 101 42.100 43.021 -0.921 1
1 745 . 6 1 1 A 67 67 LEU N N 101 121.189 123.369 -2.180 1
1 746 . 6 1 1 A 68 68 ASP H H 102 9.236 9.138 0.098 1
1 747 . 6 1 1 A 68 68 ASP HA H 102 5.620 4.985 0.635 1
1 750 . 6 1 1 A 68 68 ASP CA C 102 51.160 54.161 -3.001 1
1 751 . 6 1 1 A 68 68 ASP CB C 102 39.750 41.969 -2.219 1
1 752 . 6 1 1 A 68 68 ASP N N 102 124.386 124.961 -0.575 1
1 753 . 6 1 1 A 69 69 ASP H H 103 8.539 8.784 -0.245 1
1 754 . 6 1 1 A 69 69 ASP HA H 103 2.830 3.335 -0.505 1
1 757 . 6 1 1 A 69 69 ASP CA C 103 56.160 57.991 -1.831 1
1 758 . 6 1 1 A 69 69 ASP CB C 103 37.160 40.840 -3.680 1
1 759 . 6 1 1 A 69 69 ASP N N 103 117.423 123.123 -5.700 1
1 760 . 6 1 1 A 70 70 GLU H H 104 7.997 7.961 0.036 1
1 761 . 6 1 1 A 70 70 GLU HA H 104 4.075 4.216 -0.141 1
1 766 . 6 1 1 A 70 70 GLU CA C 104 58.950 59.474 -0.524 1
1 767 . 6 1 1 A 70 70 GLU CB C 104 29.134 28.976 0.158 1
1 769 . 6 1 1 A 70 70 GLU N N 104 124.895 118.532 6.363 1
1 770 . 6 1 1 A 71 71 GLU H H 105 8.742 7.917 0.825 1
1 771 . 6 1 1 A 71 71 GLU HA H 105 4.048 4.035 0.013 1
1 776 . 6 1 1 A 71 71 GLU CA C 105 58.570 59.124 -0.554 1
1 777 . 6 1 1 A 71 71 GLU CB C 105 30.270 29.300 0.970 1
1 779 . 6 1 1 A 71 71 GLU N N 105 123.465 120.566 2.899 1
1 780 . 6 1 1 A 72 72 PHE H H 106 9.426 8.794 0.632 1
1 781 . 6 1 1 A 72 72 PHE HA H 106 4.260 4.190 0.070 1
1 789 . 6 1 1 A 72 72 PHE CA C 106 60.000 61.617 -1.617 1
1 790 . 6 1 1 A 72 72 PHE CB C 106 38.440 39.554 -1.114 1
1 796 . 6 1 1 A 72 72 PHE N N 106 120.806 121.743 -0.937 1
1 797 . 6 1 1 A 73 73 ALA H H 107 8.097 8.270 -0.173 1
1 798 . 6 1 1 A 73 73 ALA HA H 107 3.790 3.792 -0.002 1
1 802 . 6 1 1 A 73 73 ALA CA C 107 54.010 55.216 -1.206 1
1 803 . 6 1 1 A 73 73 ALA CB C 107 16.691 18.230 -1.539 1
1 804 . 6 1 1 A 73 73 ALA N N 107 126.845 121.312 5.533 1
1 805 . 6 1 1 A 74 74 LEU H H 108 8.431 8.084 0.347 1
1 806 . 6 1 1 A 74 74 LEU HA H 108 4.065 3.792 0.273 1
1 816 . 6 1 1 A 74 74 LEU CA C 108 56.811 57.799 -0.988 1
1 817 . 6 1 1 A 74 74 LEU CB C 108 41.090 41.548 -0.458 1
1 821 . 6 1 1 A 74 74 LEU N N 108 121.250 118.481 2.769 1
1 822 . 6 1 1 A 75 75 ALA H H 109 8.663 8.341 0.322 1
1 823 . 6 1 1 A 75 75 ALA HA H 109 3.660 3.988 -0.328 1
1 827 . 6 1 1 A 75 75 ALA CA C 109 54.220 55.699 -1.479 1
1 828 . 6 1 1 A 75 75 ALA CB C 109 15.220 18.198 -2.978 1
1 829 . 6 1 1 A 75 75 ALA N N 109 122.981 121.997 0.984 1
1 830 . 6 1 1 A 76 76 ASN H H 110 7.249 8.025 -0.776 1
1 831 . 6 1 1 A 76 76 ASN HA H 110 3.800 4.170 -0.370 1
1 836 . 6 1 1 A 76 76 ASN CA C 110 55.500 55.873 -0.373 1
1 837 . 6 1 1 A 76 76 ASN CB C 110 36.610 36.862 -0.252 1
1 838 . 6 1 1 A 76 76 ASN N N 110 115.681 116.130 -0.449 1
1 840 . 6 1 1 A 77 77 HIS H H 111 8.345 7.916 0.429 1
1 841 . 6 1 1 A 77 77 HIS HA H 111 4.092 4.297 -0.205 1
1 846 . 6 1 1 A 77 77 HIS CA C 111 59.180 59.846 -0.666 1
1 847 . 6 1 1 A 77 77 HIS CB C 111 30.420 30.401 0.019 1
1 850 . 6 1 1 A 77 77 HIS N N 111 124.686 120.733 3.953 1
1 851 . 6 1 1 A 78 78 LEU H H 112 8.290 8.551 -0.261 1
1 852 . 6 1 1 A 78 78 LEU HA H 112 3.830 3.717 0.113 1
1 862 . 6 1 1 A 78 78 LEU CA C 112 56.115 57.969 -1.854 1
1 863 . 6 1 1 A 78 78 LEU CB C 112 41.000 41.456 -0.456 1
1 867 . 6 1 1 A 78 78 LEU N N 112 119.085 119.317 -0.232 1
1 868 . 6 1 1 A 79 79 ILE H H 113 7.792 8.237 -0.445 1
1 869 . 6 1 1 A 79 79 ILE HA H 113 3.290 3.454 -0.164 1
1 879 . 6 1 1 A 79 79 ILE CA C 113 65.020 65.839 -0.819 1
1 880 . 6 1 1 A 79 79 ILE CB C 113 36.730 38.106 -1.376 1
1 884 . 6 1 1 A 79 79 ILE N N 113 121.304 119.675 1.629 1
1 885 . 6 1 1 A 80 80 LYS H H 114 7.537 8.257 -0.720 1
1 886 . 6 1 1 A 80 80 LYS HA H 114 3.830 3.999 -0.169 1
1 895 . 6 1 1 A 80 80 LYS CA C 114 58.970 58.931 0.039 1
1 896 . 6 1 1 A 80 80 LYS CB C 114 30.470 31.671 -1.201 1
1 900 . 6 1 1 A 80 80 LYS N N 114 122.150 120.420 1.730 1
1 901 . 6 1 1 A 81 81 VAL H H 115 8.110 7.909 0.201 1
1 902 . 6 1 1 A 81 81 VAL HA H 115 3.740 3.618 0.122 1
1 910 . 6 1 1 A 81 81 VAL CA C 115 64.500 66.837 -2.337 1
1 911 . 6 1 1 A 81 81 VAL CB C 115 30.050 31.378 -1.328 1
1 914 . 6 1 1 A 81 81 VAL N N 115 118.999 120.464 -1.465 1
1 915 . 6 1 1 A 82 82 LYS H H 116 7.853 8.118 -0.265 1
1 916 . 6 1 1 A 82 82 LYS HA H 116 4.550 4.211 0.339 1
1 925 . 6 1 1 A 82 82 LYS CA C 116 56.000 59.799 -3.799 1
1 926 . 6 1 1 A 82 82 LYS CB C 116 30.340 31.906 -1.566 1
1 930 . 6 1 1 A 82 82 LYS N N 116 123.030 120.444 2.586 1
1 931 . 6 1 1 A 83 83 LEU H H 117 8.959 8.418 0.541 1
1 932 . 6 1 1 A 83 83 LEU HA H 117 4.090 4.012 0.078 1
1 942 . 6 1 1 A 83 83 LEU CA C 117 56.620 57.212 -0.592 1
1 943 . 6 1 1 A 83 83 LEU CB C 117 40.361 41.120 -0.759 1
1 947 . 6 1 1 A 83 83 LEU N N 117 125.378 119.167 6.211 1
1 948 . 6 1 1 A 84 84 GLU H H 118 7.817 7.774 0.043 1
1 949 . 6 1 1 A 84 84 GLU HA H 118 4.164 4.229 -0.065 1
1 954 . 6 1 1 A 84 84 GLU CA C 118 55.600 56.145 -0.545 1
1 955 . 6 1 1 A 84 84 GLU CB C 118 28.600 29.684 -1.084 1
1 957 . 6 1 1 A 84 84 GLU N N 118 119.766 117.080 2.686 1
1 958 . 6 1 1 A 85 85 GLY H H 119 7.862 8.254 -0.392 1
1 959 . 6 1 1 A 85 85 GLY HA2 H 119 3.650 3.754 -0.104 1
1 960 . 6 1 1 A 85 85 GLY HA3 H 119 4.140 3.813 0.327 1
1 961 . 6 1 1 A 85 85 GLY CA C 119 43.690 45.686 -1.996 1
1 962 . 6 1 1 A 85 85 GLY N N 119 107.902 107.968 -0.066 1
1 963 . 6 1 1 A 86 86 HIS H H 120 7.714 7.447 0.267 1
1 964 . 6 1 1 A 86 86 HIS HA H 120 4.680 4.931 -0.251 1
1 969 . 6 1 1 A 86 86 HIS CA C 120 53.900 55.484 -1.584 1
1 970 . 6 1 1 A 86 86 HIS CB C 120 29.390 33.859 -4.469 1
1 972 . 6 1 1 A 86 86 HIS N N 120 122.124 117.329 4.795 1
1 973 . 6 1 1 A 87 87 GLU H H 121 8.491 8.929 -0.438 1
1 974 . 6 1 1 A 87 87 GLU HA H 121 4.310 5.006 -0.696 1
1 979 . 6 1 1 A 87 87 GLU CA C 121 54.000 54.455 -0.455 1
1 980 . 6 1 1 A 87 87 GLU CB C 121 29.120 33.459 -4.339 1
1 982 . 6 1 1 A 87 87 GLU N N 121 121.826 120.763 1.063 1
1 983 . 6 1 1 A 88 88 LEU H H 122 8.672 8.837 -0.165 1
1 984 . 6 1 1 A 88 88 LEU HA H 122 4.420 4.815 -0.395 1
1 994 . 6 1 1 A 88 88 LEU CA C 122 50.777 52.773 -1.996 1
1 995 . 6 1 1 A 88 88 LEU CB C 122 39.986 42.156 -2.170 1
1 999 . 6 1 1 A 88 88 LEU N N 122 125.316 123.344 1.972 1
1 1000 . 6 1 1 A 89 89 PRO HA H 123 4.570 4.329 0.241 1
1 1007 . 6 1 1 A 89 89 PRO CA C 123 60.690 64.280 -3.590 1
1 1008 . 6 1 1 A 89 89 PRO CB C 123 30.320 31.793 -1.473 1
1 1011 . 6 1 1 A 90 90 ALA H H 124 8.451 7.959 0.492 1
1 1012 . 6 1 1 A 90 90 ALA HA H 124 4.080 3.944 0.136 1
1 1016 . 6 1 1 A 90 90 ALA CA C 124 52.700 53.582 -0.882 1
1 1017 . 6 1 1 A 90 90 ALA CB C 124 17.760 17.983 -0.223 1
1 1018 . 6 1 1 A 90 90 ALA N N 124 123.603 120.631 2.972 1
1 1019 . 6 1 1 A 91 91 ASP H H 125 7.473 7.563 -0.090 1
1 1020 . 6 1 1 A 91 91 ASP HA H 125 4.640 5.303 -0.663 1
1 1023 . 6 1 1 A 91 91 ASP CA C 125 50.340 52.778 -2.438 1
1 1024 . 6 1 1 A 91 91 ASP CB C 125 42.620 45.593 -2.973 1
1 1025 . 6 1 1 A 91 91 ASP N N 125 115.317 116.249 -0.932 1
1 1026 . 6 1 1 A 92 92 LEU H H 126 8.883 9.005 -0.122 1
1 1027 . 6 1 1 A 92 92 LEU HA H 126 4.200 4.857 -0.657 1
1 1037 . 6 1 1 A 92 92 LEU CA C 126 51.930 51.395 0.535 1
1 1038 . 6 1 1 A 92 92 LEU CB C 126 41.032 43.883 -2.851 1
1 1042 . 6 1 1 A 92 92 LEU N N 126 125.329 121.339 3.990 1
1 1043 . 6 1 1 A 93 93 PRO HA H 127 4.870 4.445 0.425 1
1 1050 . 6 1 1 A 93 93 PRO CA C 127 59.820 61.800 -1.980 1
1 1051 . 6 1 1 A 93 93 PRO CB C 127 29.800 32.159 -2.359 1
1 1054 . 6 1 1 A 94 94 PRO HA H 128 4.230 4.166 0.064 1
1 1061 . 6 1 1 A 94 94 PRO CA C 128 64.560 65.087 -0.527 1
1 1062 . 6 1 1 A 94 94 PRO CB C 128 30.900 31.936 -1.036 1
1 1065 . 6 1 1 A 95 95 HIS H H 129 7.922 8.082 -0.160 1
1 1066 . 6 1 1 A 95 95 HIS HA H 129 4.650 4.529 0.121 1
1 1071 . 6 1 1 A 95 95 HIS CA C 129 56.810 56.232 0.578 1
1 1072 . 6 1 1 A 95 95 HIS CB C 129 28.100 29.809 -1.709 1
1 1075 . 6 1 1 A 95 95 HIS N N 129 112.757 115.077 -2.320 1
1 1076 . 6 1 1 A 96 96 LEU H H 130 7.709 7.803 -0.094 1
1 1077 . 6 1 1 A 96 96 LEU HA H 130 4.646 4.488 0.158 1
1 1087 . 6 1 1 A 96 96 LEU CA C 130 53.100 55.201 -2.101 1
1 1088 . 6 1 1 A 96 96 LEU CB C 130 42.210 43.394 -1.184 1
1 1092 . 6 1 1 A 96 96 LEU N N 130 121.128 119.327 1.801 1
1 1093 . 6 1 1 A 97 97 VAL H H 131 7.184 7.316 -0.132 1
1 1094 . 6 1 1 A 97 97 VAL HA H 131 3.730 4.346 -0.616 1
1 1102 . 6 1 1 A 97 97 VAL CA C 131 60.520 61.035 -0.515 1
1 1103 . 6 1 1 A 97 97 VAL CB C 131 31.310 31.720 -0.410 1
1 1106 . 6 1 1 A 97 97 VAL N N 131 125.572 117.320 8.252 1
1 1107 . 6 1 1 A 98 98 PRO HA H 132 2.700 4.543 -1.843 1
1 1114 . 6 1 1 A 98 98 PRO CA C 132 59.400 61.757 -2.357 1
1 1115 . 6 1 1 A 98 98 PRO CB C 132 30.250 32.135 -1.885 1
1 1118 . 6 1 1 A 99 99 PRO HA H 133 3.620 4.147 -0.527 1
1 1125 . 6 1 1 A 99 99 PRO CA C 133 64.760 65.347 -0.587 1
1 1126 . 6 1 1 A 99 99 PRO CB C 133 30.770 31.918 -1.148 1
1 1129 . 6 1 1 A 100 100 SER H H 134 9.195 8.324 0.871 1
1 1130 . 6 1 1 A 100 100 SER HA H 134 4.150 4.358 -0.208 1
1 1133 . 6 1 1 A 100 100 SER CA C 134 59.660 59.890 -0.230 1
1 1134 . 6 1 1 A 100 100 SER CB C 134 61.320 62.529 -1.209 1
1 1135 . 6 1 1 A 100 100 SER N N 134 115.005 112.142 2.863 1
1 1136 . 6 1 1 A 101 101 LYS H H 135 7.867 7.991 -0.124 1
1 1137 . 6 1 1 A 101 101 LYS HA H 135 4.480 4.470 0.010 1
1 1146 . 6 1 1 A 101 101 LYS CA C 135 52.490 55.403 -2.913 1
1 1147 . 6 1 1 A 101 101 LYS CB C 135 30.600 33.141 -2.541 1
1 1151 . 6 1 1 A 101 101 LYS N N 135 121.053 117.548 3.505 1
1 1152 . 6 1 1 A 102 102 ARG H H 136 7.077 7.413 -0.336 1
1 1153 . 6 1 1 A 102 102 ARG HA H 136 4.110 4.216 -0.106 1
1 1164 . 6 1 1 A 102 102 ARG CA C 136 55.440 56.116 -0.676 1
1 1165 . 6 1 1 A 102 102 ARG CB C 136 29.100 30.977 -1.877 1
1 1168 . 6 1 1 A 102 102 ARG N N 136 121.939 121.984 -0.045 1
1 1169 . 6 1 1 A 103 103 ARG H H 137 8.289 8.933 -0.644 1
1 1170 . 6 1 1 A 103 103 ARG HA H 137 4.300 4.950 -0.650 1
1 1181 . 6 1 1 A 103 103 ARG CA C 137 54.100 54.337 -0.237 1
1 1182 . 6 1 1 A 103 103 ARG CB C 137 29.700 33.949 -4.249 1
1 1185 . 6 1 1 A 103 103 ARG N N 137 123.504 124.035 -0.531 1
1 1186 . 6 1 1 A 104 104 HIS H H 138 8.370 8.787 -0.417 1
1 1187 . 6 1 1 A 104 104 HIS HA H 138 4.678 5.278 -0.600 1
1 1192 . 6 1 1 A 104 104 HIS CA C 138 54.110 53.803 0.307 1
1 1193 . 6 1 1 A 104 104 HIS CB C 138 28.730 32.158 -3.428 1
1 1 . 7 1 1 A 7 7 ASP H H 41 8.479 8.825 -0.346 1
1 2 . 7 1 1 A 7 7 ASP HA H 41 4.650 4.911 -0.261 1
1 5 . 7 1 1 A 7 7 ASP CA C 41 53.120 54.166 -1.046 1
1 6 . 7 1 1 A 7 7 ASP CB C 41 39.840 42.034 -2.194 1
1 7 . 7 1 1 A 7 7 ASP N N 41 124.447 124.177 0.270 1
1 8 . 7 1 1 A 8 8 VAL H H 42 7.916 8.724 -0.808 1
1 9 . 7 1 1 A 8 8 VAL HA H 42 4.150 4.949 -0.799 1
1 17 . 7 1 1 A 8 8 VAL CA C 42 60.500 59.775 0.725 1
1 18 . 7 1 1 A 8 8 VAL CB C 42 31.540 34.189 -2.649 1
1 21 . 7 1 1 A 8 8 VAL N N 42 120.853 123.682 -2.829 1
1 22 . 7 1 1 A 9 9 GLU H H 43 8.476 8.724 -0.248 1
1 23 . 7 1 1 A 9 9 GLU HA H 43 4.300 4.717 -0.417 1
1 28 . 7 1 1 A 9 9 GLU CA C 43 55.400 56.090 -0.690 1
1 29 . 7 1 1 A 9 9 GLU CB C 43 29.120 30.773 -1.653 1
1 31 . 7 1 1 A 9 9 GLU N N 43 127.650 126.612 1.038 1
1 32 . 7 1 1 A 10 10 TRP H H 44 8.839 8.878 -0.039 1
1 33 . 7 1 1 A 10 10 TRP HA H 44 5.240 4.923 0.317 1
1 42 . 7 1 1 A 10 10 TRP CA C 44 54.290 56.736 -2.446 1
1 43 . 7 1 1 A 10 10 TRP CB C 44 27.330 30.686 -3.356 1
1 49 . 7 1 1 A 10 10 TRP N N 44 126.406 122.751 3.655 1
1 50 . 7 1 1 A 11 11 VAL H H 45 9.230 8.821 0.409 1
1 51 . 7 1 1 A 11 11 VAL HA H 45 3.900 4.043 -0.143 1
1 59 . 7 1 1 A 11 11 VAL CA C 45 63.500 63.991 -0.491 1
1 60 . 7 1 1 A 11 11 VAL CB C 45 30.420 31.634 -1.214 1
1 63 . 7 1 1 A 11 11 VAL N N 45 131.353 123.594 7.759 1
1 64 . 7 1 1 A 12 12 VAL H H 46 5.020 7.628 -2.608 1
1 65 . 7 1 1 A 12 12 VAL HA H 46 3.050 3.998 -0.948 1
1 73 . 7 1 1 A 12 12 VAL CA C 46 60.540 64.099 -3.559 1
1 74 . 7 1 1 A 12 12 VAL CB C 46 29.280 31.920 -2.640 1
1 77 . 7 1 1 A 13 13 GLY H H 47 7.330 8.588 -1.258 1
1 78 . 7 1 1 A 13 13 GLY HA2 H 47 3.600 3.999 -0.399 1
1 79 . 7 1 1 A 13 13 GLY HA3 H 47 4.194 4.064 0.130 1
1 80 . 7 1 1 A 13 13 GLY CA C 47 46.400 46.996 -0.596 1
1 81 . 7 1 1 A 14 14 LYS H H 48 7.581 8.946 -1.365 1
1 82 . 7 1 1 A 14 14 LYS HA H 48 4.077 4.139 -0.062 1
1 91 . 7 1 1 A 14 14 LYS CA C 48 57.420 58.858 -1.438 1
1 92 . 7 1 1 A 14 14 LYS CB C 48 30.490 31.562 -1.072 1
1 96 . 7 1 1 A 14 14 LYS N N 48 121.084 118.884 2.200 1
1 97 . 7 1 1 A 15 15 ASP H H 49 7.309 7.688 -0.379 1
1 98 . 7 1 1 A 15 15 ASP HA H 49 4.770 4.857 -0.087 1
1 101 . 7 1 1 A 15 15 ASP CA C 49 52.880 53.635 -0.755 1
1 102 . 7 1 1 A 15 15 ASP CB C 49 41.910 41.512 0.398 1
1 103 . 7 1 1 A 15 15 ASP N N 49 118.181 118.947 -0.766 1
1 104 . 7 1 1 A 16 16 LYS H H 50 7.506 7.714 -0.208 1
1 105 . 7 1 1 A 16 16 LYS HA H 50 4.068 4.223 -0.155 1
1 114 . 7 1 1 A 16 16 LYS CA C 50 60.180 61.496 -1.316 1
1 115 . 7 1 1 A 16 16 LYS CB C 50 30.193 31.351 -1.158 1
1 119 . 7 1 1 A 16 16 LYS N N 50 123.633 120.360 3.273 1
1 120 . 7 1 1 A 17 17 PRO HA H 51 4.440 4.485 -0.045 1
1 127 . 7 1 1 A 17 17 PRO CA C 51 65.660 65.084 0.576 1
1 128 . 7 1 1 A 17 17 PRO CB C 51 29.600 31.355 -1.755 1
1 131 . 7 1 1 A 18 18 THR H H 52 7.280 7.483 -0.203 1
1 132 . 7 1 1 A 18 18 THR HA H 52 3.980 4.017 -0.037 1
1 137 . 7 1 1 A 18 18 THR CA C 52 64.440 65.171 -0.731 1
1 138 . 7 1 1 A 18 18 THR CB C 52 67.210 68.089 -0.879 1
1 140 . 7 1 1 A 18 18 THR N N 52 115.095 111.473 3.622 1
1 141 . 7 1 1 A 19 19 TYR H H 53 7.083 7.351 -0.268 1
1 142 . 7 1 1 A 19 19 TYR HA H 53 4.728 4.499 0.229 1
1 149 . 7 1 1 A 19 19 TYR CA C 53 57.110 62.108 -4.998 1
1 150 . 7 1 1 A 19 19 TYR CB C 53 35.170 37.648 -2.478 1
1 155 . 7 1 1 A 19 19 TYR N N 53 125.380 119.132 6.248 1
1 156 . 7 1 1 A 20 20 ASP H H 54 9.588 8.814 0.774 1
1 157 . 7 1 1 A 20 20 ASP HA H 54 4.520 4.559 -0.039 1
1 160 . 7 1 1 A 20 20 ASP CA C 54 55.515 57.863 -2.348 1
1 161 . 7 1 1 A 20 20 ASP CB C 54 38.740 41.561 -2.821 1
1 162 . 7 1 1 A 20 20 ASP N N 54 124.548 121.990 2.558 1
1 163 . 7 1 1 A 21 21 GLU H H 55 7.309 8.368 -1.059 1
1 164 . 7 1 1 A 21 21 GLU HA H 55 4.140 4.190 -0.050 1
1 169 . 7 1 1 A 21 21 GLU CA C 55 58.100 59.235 -1.135 1
1 170 . 7 1 1 A 21 21 GLU CB C 55 28.400 29.616 -1.216 1
1 172 . 7 1 1 A 21 21 GLU N N 55 118.181 119.158 -0.977 1
1 173 . 7 1 1 A 22 22 ILE H H 56 7.249 8.031 -0.782 1
1 174 . 7 1 1 A 22 22 ILE HA H 56 3.946 4.069 -0.123 1
1 184 . 7 1 1 A 22 22 ILE CA C 56 62.400 65.545 -3.145 1
1 185 . 7 1 1 A 22 22 ILE CB C 56 37.597 38.043 -0.446 1
1 189 . 7 1 1 A 22 22 ILE N N 56 118.978 120.478 -1.500 1
1 190 . 7 1 1 A 23 23 PHE H H 57 9.117 8.767 0.350 1
1 191 . 7 1 1 A 23 23 PHE HA H 57 3.100 3.837 -0.737 1
1 199 . 7 1 1 A 23 23 PHE CA C 57 61.330 61.631 -0.301 1
1 200 . 7 1 1 A 23 23 PHE CB C 57 38.250 38.894 -0.644 1
1 206 . 7 1 1 A 23 23 PHE N N 57 127.639 121.568 6.071 1
1 207 . 7 1 1 A 24 24 TYR H H 58 7.903 8.300 -0.397 1
1 208 . 7 1 1 A 24 24 TYR HA H 58 4.000 4.361 -0.361 1
1 215 . 7 1 1 A 24 24 TYR CA C 58 60.480 61.170 -0.690 1
1 216 . 7 1 1 A 24 24 TYR CB C 58 36.086 38.325 -2.239 1
1 221 . 7 1 1 A 24 24 TYR N N 58 112.757 115.506 -2.749 1
1 222 . 7 1 1 A 25 25 THR H H 59 8.081 8.061 0.020 1
1 223 . 7 1 1 A 25 25 THR HA H 59 4.650 4.334 0.316 1
1 229 . 7 1 1 A 25 25 THR CA C 59 61.770 64.070 -2.300 1
1 230 . 7 1 1 A 25 25 THR CB C 59 68.700 69.026 -0.326 1
1 232 . 7 1 1 A 25 25 THR N N 59 112.676 113.511 -0.835 1
1 233 . 7 1 1 A 26 26 LEU H H 60 7.373 7.174 0.199 1
1 234 . 7 1 1 A 26 26 LEU HA H 60 4.470 4.327 0.143 1
1 244 . 7 1 1 A 26 26 LEU CA C 60 52.330 54.224 -1.894 1
1 245 . 7 1 1 A 26 26 LEU CB C 60 38.700 42.121 -3.421 1
1 249 . 7 1 1 A 26 26 LEU N N 60 125.808 120.214 5.594 1
1 250 . 7 1 1 A 27 27 SER H H 61 7.860 7.902 -0.042 1
1 251 . 7 1 1 A 27 27 SER HA H 61 3.990 4.145 -0.155 1
1 254 . 7 1 1 A 27 27 SER CA C 61 56.300 58.474 -2.174 1
1 255 . 7 1 1 A 27 27 SER CB C 61 60.230 61.722 -1.492 1
1 256 . 7 1 1 A 27 27 SER N N 61 111.582 113.150 -1.568 1
1 257 . 7 1 1 A 28 28 PRO HA H 62 4.210 4.420 -0.210 1
1 264 . 7 1 1 A 28 28 PRO CA C 62 61.600 61.980 -0.380 1
1 265 . 7 1 1 A 28 28 PRO CB C 62 29.890 32.032 -2.142 1
1 268 . 7 1 1 A 29 29 VAL H H 63 8.750 8.459 0.291 1
1 269 . 7 1 1 A 29 29 VAL HA H 63 4.180 4.549 -0.369 1
1 277 . 7 1 1 A 29 29 VAL CA C 63 60.660 60.381 0.279 1
1 278 . 7 1 1 A 29 29 VAL CB C 63 32.878 33.423 -0.545 1
1 281 . 7 1 1 A 29 29 VAL N N 63 124.299 117.106 7.193 1
1 282 . 7 1 1 A 30 30 ASN H H 64 9.713 9.550 0.163 1
1 283 . 7 1 1 A 30 30 ASN HA H 64 4.420 4.468 -0.048 1
1 288 . 7 1 1 A 30 30 ASN CA C 64 52.940 54.659 -1.719 1
1 289 . 7 1 1 A 30 30 ASN CB C 64 36.300 37.128 -0.828 1
1 290 . 7 1 1 A 30 30 ASN N N 64 129.729 122.013 7.716 1
1 292 . 7 1 1 A 31 31 GLY H H 65 8.862 8.512 0.350 1
1 293 . 7 1 1 A 31 31 GLY HA2 H 65 3.760 3.917 -0.157 1
1 294 . 7 1 1 A 31 31 GLY HA3 H 65 4.260 3.955 0.305 1
1 295 . 7 1 1 A 31 31 GLY CA C 65 44.260 45.570 -1.310 1
1 296 . 7 1 1 A 31 31 GLY N N 65 130.591 104.334 26.257 1
1 297 . 7 1 1 A 32 32 LYS H H 66 7.501 7.879 -0.378 1
1 298 . 7 1 1 A 32 32 LYS HA H 66 5.420 5.160 0.260 1
1 307 . 7 1 1 A 32 32 LYS CA C 66 53.900 54.367 -0.467 1
1 308 . 7 1 1 A 32 32 LYS CB C 66 36.200 35.484 0.716 1
1 312 . 7 1 1 A 32 32 LYS N N 66 118.738 119.927 -1.189 1
1 313 . 7 1 1 A 33 33 ILE H H 67 9.230 9.040 0.190 1
1 314 . 7 1 1 A 33 33 ILE HA H 67 5.030 4.613 0.417 1
1 324 . 7 1 1 A 33 33 ILE CA C 67 57.470 59.936 -2.466 1
1 325 . 7 1 1 A 33 33 ILE CB C 67 39.880 39.296 0.584 1
1 329 . 7 1 1 A 33 33 ILE N N 67 118.166 119.966 -1.800 1
1 330 . 7 1 1 A 34 34 THR H H 68 8.242 8.399 -0.157 1
1 331 . 7 1 1 A 34 34 THR HA H 68 4.560 4.649 -0.089 1
1 337 . 7 1 1 A 34 34 THR CA C 68 58.970 60.500 -1.530 1
1 338 . 7 1 1 A 34 34 THR CB C 68 69.910 71.033 -1.123 1
1 340 . 7 1 1 A 34 34 THR N N 68 111.971 114.214 -2.243 1
1 341 . 7 1 1 A 35 35 GLY H H 69 8.987 8.919 0.068 1
1 342 . 7 1 1 A 35 35 GLY HA2 H 69 3.530 3.727 -0.197 1
1 343 . 7 1 1 A 35 35 GLY HA3 H 69 3.830 4.048 -0.218 1
1 344 . 7 1 1 A 35 35 GLY CA C 69 46.900 47.049 -0.149 1
1 345 . 7 1 1 A 35 35 GLY N N 69 110.332 109.260 1.072 1
1 346 . 7 1 1 A 36 36 ALA H H 70 8.289 8.041 0.248 1
1 347 . 7 1 1 A 36 36 ALA HA H 70 3.890 3.961 -0.071 1
1 351 . 7 1 1 A 36 36 ALA CA C 70 53.830 54.569 -0.739 1
1 352 . 7 1 1 A 36 36 ALA CB C 70 16.900 18.862 -1.962 1
1 353 . 7 1 1 A 36 36 ALA N N 70 123.588 124.629 -1.041 1
1 354 . 7 1 1 A 37 37 ASN H H 71 7.550 7.699 -0.149 1
1 355 . 7 1 1 A 37 37 ASN HA H 71 4.690 4.539 0.151 1
1 360 . 7 1 1 A 37 37 ASN CA C 71 54.000 55.753 -1.753 1
1 361 . 7 1 1 A 37 37 ASN CB C 71 36.300 38.104 -1.804 1
1 362 . 7 1 1 A 37 37 ASN N N 71 118.594 117.300 1.294 1
1 364 . 7 1 1 A 38 38 ALA H H 72 8.825 8.113 0.712 1
1 365 . 7 1 1 A 38 38 ALA HA H 72 4.110 4.203 -0.093 1
1 369 . 7 1 1 A 38 38 ALA CA C 72 54.340 55.059 -0.719 1
1 370 . 7 1 1 A 38 38 ALA CB C 72 17.970 18.595 -0.625 1
1 371 . 7 1 1 A 38 38 ALA N N 72 123.885 122.560 1.325 1
1 372 . 7 1 1 A 39 39 LYS H H 73 8.798 8.074 0.724 1
1 373 . 7 1 1 A 39 39 LYS HA H 73 3.940 4.080 -0.140 1
1 382 . 7 1 1 A 39 39 LYS CA C 73 59.000 59.240 -0.240 1
1 383 . 7 1 1 A 39 39 LYS CB C 73 30.880 31.999 -1.119 1
1 387 . 7 1 1 A 39 39 LYS N N 73 120.109 118.312 1.797 1
1 388 . 7 1 1 A 40 40 LYS H H 74 7.295 7.797 -0.502 1
1 389 . 7 1 1 A 40 40 LYS HA H 74 3.990 3.915 0.075 1
1 398 . 7 1 1 A 40 40 LYS CA C 74 58.240 60.181 -1.941 1
1 399 . 7 1 1 A 40 40 LYS CB C 74 30.900 32.217 -1.317 1
1 403 . 7 1 1 A 40 40 LYS N N 74 118.573 118.389 0.184 1
1 404 . 7 1 1 A 41 41 GLU H H 75 7.111 8.215 -1.104 1
1 405 . 7 1 1 A 41 41 GLU HA H 75 4.450 4.138 0.312 1
1 410 . 7 1 1 A 41 41 GLU CA C 75 56.260 59.465 -3.205 1
1 411 . 7 1 1 A 41 41 GLU CB C 75 28.900 29.558 -0.658 1
1 413 . 7 1 1 A 41 41 GLU N N 75 117.503 119.845 -2.342 1
1 414 . 7 1 1 A 42 42 MET H H 76 8.672 8.334 0.338 1
1 415 . 7 1 1 A 42 42 MET HA H 76 4.020 4.220 -0.200 1
1 423 . 7 1 1 A 42 42 MET CA C 76 58.980 58.871 0.109 1
1 424 . 7 1 1 A 42 42 MET CB C 76 33.270 32.805 0.465 1
1 427 . 7 1 1 A 42 42 MET N N 76 121.435 119.093 2.342 1
1 428 . 7 1 1 A 43 43 VAL H H 77 8.703 8.545 0.158 1
1 429 . 7 1 1 A 43 43 VAL HA H 77 4.070 3.603 0.467 1
1 437 . 7 1 1 A 43 43 VAL CA C 77 63.490 66.999 -3.509 1
1 438 . 7 1 1 A 43 43 VAL CB C 77 30.570 31.455 -0.885 1
1 441 . 7 1 1 A 43 43 VAL N N 77 117.135 119.666 -2.531 1
1 442 . 7 1 1 A 44 44 LYS H H 78 7.475 7.821 -0.346 1
1 443 . 7 1 1 A 44 44 LYS HA H 78 4.130 4.182 -0.052 1
1 452 . 7 1 1 A 44 44 LYS CA C 78 57.760 59.384 -1.624 1
1 453 . 7 1 1 A 44 44 LYS CB C 78 30.990 31.949 -0.959 1
1 457 . 7 1 1 A 44 44 LYS N N 78 124.308 120.295 4.013 1
1 458 . 7 1 1 A 45 45 SER H H 79 7.534 7.790 -0.256 1
1 459 . 7 1 1 A 45 45 SER HA H 79 4.080 4.470 -0.390 1
1 462 . 7 1 1 A 45 45 SER CA C 79 59.440 58.542 0.898 1
1 463 . 7 1 1 A 45 45 SER CB C 79 64.580 63.453 1.127 1
1 464 . 7 1 1 A 45 45 SER N N 79 114.575 112.795 1.780 1
1 465 . 7 1 1 A 46 46 LYS H H 80 7.822 7.485 0.337 1
1 466 . 7 1 1 A 46 46 LYS HA H 80 3.940 3.927 0.013 1
1 475 . 7 1 1 A 46 46 LYS CA C 80 57.020 57.547 -0.527 1
1 476 . 7 1 1 A 46 46 LYS CB C 80 27.840 29.048 -1.208 1
1 480 . 7 1 1 A 46 46 LYS N N 80 114.855 117.887 -3.032 1
1 481 . 7 1 1 A 47 47 LEU H H 81 7.486 7.408 0.078 1
1 482 . 7 1 1 A 47 47 LEU HA H 81 4.490 4.487 0.003 1
1 492 . 7 1 1 A 47 47 LEU CA C 81 52.000 52.764 -0.764 1
1 493 . 7 1 1 A 47 47 LEU CB C 81 40.400 41.141 -0.741 1
1 497 . 7 1 1 A 47 47 LEU N N 81 122.848 119.956 2.892 1
1 498 . 7 1 1 A 48 48 PRO HA H 82 4.520 4.611 -0.091 1
1 505 . 7 1 1 A 48 48 PRO CA C 82 60.910 62.347 -1.437 1
1 506 . 7 1 1 A 48 48 PRO CB C 82 31.550 32.615 -1.065 1
1 509 . 7 1 1 A 49 49 ASN H H 83 7.580 8.732 -1.152 1
1 510 . 7 1 1 A 49 49 ASN HA H 83 4.270 4.388 -0.118 1
1 515 . 7 1 1 A 49 49 ASN CA C 83 56.000 56.499 -0.499 1
1 516 . 7 1 1 A 49 49 ASN CB C 83 36.900 38.141 -1.241 1
1 518 . 7 1 1 A 50 50 THR H H 84 7.260 8.178 -0.918 1
1 519 . 7 1 1 A 50 50 THR HA H 84 4.020 4.024 -0.004 1
1 524 . 7 1 1 A 50 50 THR CA C 84 63.474 65.538 -2.064 1
1 525 . 7 1 1 A 50 50 THR CB C 84 66.850 67.956 -1.106 1
1 527 . 7 1 1 A 51 51 VAL H H 85 6.887 8.122 -1.235 1
1 528 . 7 1 1 A 51 51 VAL HA H 85 3.660 3.792 -0.132 1
1 536 . 7 1 1 A 51 51 VAL CA C 85 64.300 67.423 -3.123 1
1 537 . 7 1 1 A 51 51 VAL CB C 85 30.500 31.508 -1.008 1
1 540 . 7 1 1 A 51 51 VAL N N 85 125.031 122.529 2.502 1
1 541 . 7 1 1 A 52 52 LEU H H 86 8.006 8.300 -0.294 1
1 542 . 7 1 1 A 52 52 LEU HA H 86 3.710 4.054 -0.344 1
1 552 . 7 1 1 A 52 52 LEU CA C 86 56.600 57.989 -1.389 1
1 553 . 7 1 1 A 52 52 LEU CB C 86 38.940 41.668 -2.728 1
1 557 . 7 1 1 A 52 52 LEU N N 86 121.391 119.311 2.080 1
1 558 . 7 1 1 A 53 53 GLY H H 87 8.438 8.474 -0.036 1
1 559 . 7 1 1 A 53 53 GLY HA2 H 87 3.850 3.831 0.019 1
1 560 . 7 1 1 A 53 53 GLY HA3 H 87 3.990 3.848 0.142 1
1 561 . 7 1 1 A 53 53 GLY CA C 87 46.200 47.148 -0.948 1
1 562 . 7 1 1 A 53 53 GLY N N 87 108.191 107.204 0.987 1
1 563 . 7 1 1 A 54 54 LYS H H 88 7.300 8.119 -0.819 1
1 564 . 7 1 1 A 54 54 LYS HA H 88 4.130 4.084 0.046 1
1 573 . 7 1 1 A 54 54 LYS CA C 88 57.890 59.051 -1.161 1
1 574 . 7 1 1 A 54 54 LYS CB C 88 31.000 31.868 -0.868 1
1 578 . 7 1 1 A 54 54 LYS N N 88 125.192 121.025 4.167 1
1 579 . 7 1 1 A 55 55 ILE H H 89 8.055 8.304 -0.249 1
1 580 . 7 1 1 A 55 55 ILE HA H 89 3.476 3.638 -0.162 1
1 590 . 7 1 1 A 55 55 ILE CA C 89 65.360 65.469 -0.109 1
1 591 . 7 1 1 A 55 55 ILE CB C 89 36.300 37.808 -1.508 1
1 595 . 7 1 1 A 55 55 ILE N N 89 122.309 120.465 1.844 1
1 596 . 7 1 1 A 56 56 TRP H H 90 8.749 8.658 0.091 1
1 597 . 7 1 1 A 56 56 TRP HA H 90 3.880 4.197 -0.317 1
1 606 . 7 1 1 A 56 56 TRP CA C 90 60.260 60.406 -0.146 1
1 607 . 7 1 1 A 56 56 TRP CB C 90 27.660 29.680 -2.020 1
1 613 . 7 1 1 A 56 56 TRP N N 90 122.116 122.017 0.099 1
1 615 . 7 1 1 A 57 57 LYS H H 91 7.581 8.198 -0.617 1
1 616 . 7 1 1 A 57 57 LYS HA H 91 3.910 4.229 -0.319 1
1 625 . 7 1 1 A 57 57 LYS CA C 91 57.790 58.476 -0.686 1
1 626 . 7 1 1 A 57 57 LYS CB C 91 31.300 32.483 -1.183 1
1 630 . 7 1 1 A 57 57 LYS N N 91 116.341 118.110 -1.769 1
1 631 . 7 1 1 A 58 58 LEU H H 92 7.580 7.423 0.157 1
1 632 . 7 1 1 A 58 58 LEU HA H 92 4.000 4.144 -0.144 1
1 642 . 7 1 1 A 58 58 LEU CA C 92 55.780 57.553 -1.773 1
1 643 . 7 1 1 A 58 58 LEU CB C 92 42.570 42.391 0.179 1
1 647 . 7 1 1 A 58 58 LEU N N 92 119.793 118.623 1.170 1
1 648 . 7 1 1 A 59 59 ALA H H 93 8.157 8.324 -0.167 1
1 649 . 7 1 1 A 59 59 ALA HA H 93 4.130 4.113 0.017 1
1 653 . 7 1 1 A 59 59 ALA CA C 93 52.400 54.554 -2.154 1
1 654 . 7 1 1 A 59 59 ALA CB C 93 17.560 18.148 -0.588 1
1 655 . 7 1 1 A 59 59 ALA N N 93 120.126 121.222 -1.096 1
1 656 . 7 1 1 A 60 60 ASP H H 94 7.499 7.980 -0.481 1
1 657 . 7 1 1 A 60 60 ASP HA H 94 4.550 4.705 -0.155 1
1 660 . 7 1 1 A 60 60 ASP CA C 94 50.380 53.635 -3.255 1
1 661 . 7 1 1 A 60 60 ASP CB C 94 35.220 39.746 -4.526 1
1 662 . 7 1 1 A 60 60 ASP N N 94 115.431 117.522 -2.091 1
1 663 . 7 1 1 A 61 61 VAL H H 95 8.352 8.063 0.289 1
1 664 . 7 1 1 A 61 61 VAL HA H 95 3.510 3.617 -0.107 1
1 672 . 7 1 1 A 61 61 VAL CA C 95 64.360 64.855 -0.495 1
1 673 . 7 1 1 A 61 61 VAL CB C 95 31.330 31.415 -0.085 1
1 676 . 7 1 1 A 61 61 VAL N N 95 129.573 123.181 6.392 1
1 677 . 7 1 1 A 62 62 ASP H H 96 7.927 7.471 0.456 1
1 678 . 7 1 1 A 62 62 ASP HA H 96 4.540 4.573 -0.033 1
1 681 . 7 1 1 A 62 62 ASP CA C 96 51.630 55.268 -3.638 1
1 682 . 7 1 1 A 62 62 ASP CB C 96 38.300 41.096 -2.796 1
1 683 . 7 1 1 A 62 62 ASP N N 96 115.789 121.321 -5.532 1
1 684 . 7 1 1 A 63 63 LYS H H 97 7.551 7.483 0.068 1
1 685 . 7 1 1 A 63 63 LYS HA H 97 3.880 4.020 -0.140 1
1 694 . 7 1 1 A 63 63 LYS CA C 97 56.450 57.330 -0.880 1
1 695 . 7 1 1 A 63 63 LYS CB C 97 28.000 29.266 -1.266 1
1 699 . 7 1 1 A 63 63 LYS N N 97 115.740 115.083 0.657 1
1 700 . 7 1 1 A 64 64 ASP H H 98 8.363 8.052 0.311 1
1 701 . 7 1 1 A 64 64 ASP HA H 98 4.660 4.709 -0.049 1
1 704 . 7 1 1 A 64 64 ASP CA C 98 52.060 53.014 -0.954 1
1 705 . 7 1 1 A 64 64 ASP CB C 98 39.500 40.445 -0.945 1
1 706 . 7 1 1 A 64 64 ASP N N 98 120.463 118.270 2.193 1
1 707 . 7 1 1 A 65 65 GLY H H 99 10.672 8.398 2.274 1
1 708 . 7 1 1 A 65 65 GLY HA2 H 99 3.910 4.144 -0.234 1
1 709 . 7 1 1 A 65 65 GLY HA3 H 99 4.320 4.495 -0.175 1
1 710 . 7 1 1 A 65 65 GLY CA C 99 45.160 46.567 -1.407 1
1 711 . 7 1 1 A 65 65 GLY N N 99 115.823 110.709 5.114 1
1 712 . 7 1 1 A 66 66 LEU H H 100 8.127 7.800 0.327 1
1 713 . 7 1 1 A 66 66 LEU HA H 100 5.150 5.056 0.094 1
1 723 . 7 1 1 A 66 66 LEU CA C 100 52.200 53.409 -1.209 1
1 724 . 7 1 1 A 66 66 LEU CB C 100 44.490 46.139 -1.649 1
1 728 . 7 1 1 A 66 66 LEU N N 100 123.135 120.722 2.413 1
1 729 . 7 1 1 A 67 67 LEU H H 101 8.729 9.027 -0.298 1
1 730 . 7 1 1 A 67 67 LEU HA H 101 5.810 5.099 0.711 1
1 740 . 7 1 1 A 67 67 LEU CA C 101 51.600 53.641 -2.041 1
1 741 . 7 1 1 A 67 67 LEU CB C 101 42.100 43.807 -1.707 1
1 745 . 7 1 1 A 67 67 LEU N N 101 121.189 123.011 -1.822 1
1 746 . 7 1 1 A 68 68 ASP H H 102 9.236 8.396 0.840 1
1 747 . 7 1 1 A 68 68 ASP HA H 102 5.620 5.101 0.519 1
1 750 . 7 1 1 A 68 68 ASP CA C 102 51.160 52.716 -1.556 1
1 751 . 7 1 1 A 68 68 ASP CB C 102 39.750 41.350 -1.600 1
1 752 . 7 1 1 A 68 68 ASP N N 102 124.386 125.626 -1.240 1
1 753 . 7 1 1 A 69 69 ASP H H 103 8.539 8.458 0.081 1
1 754 . 7 1 1 A 69 69 ASP HA H 103 2.830 3.470 -0.640 1
1 757 . 7 1 1 A 69 69 ASP CA C 103 56.160 56.070 0.090 1
1 758 . 7 1 1 A 69 69 ASP CB C 103 37.160 39.557 -2.397 1
1 759 . 7 1 1 A 69 69 ASP N N 103 117.423 117.967 -0.544 1
1 760 . 7 1 1 A 70 70 GLU H H 104 7.997 7.475 0.522 1
1 761 . 7 1 1 A 70 70 GLU HA H 104 4.075 4.358 -0.283 1
1 766 . 7 1 1 A 70 70 GLU CA C 104 58.950 59.514 -0.564 1
1 767 . 7 1 1 A 70 70 GLU CB C 104 29.134 29.632 -0.498 1
1 769 . 7 1 1 A 70 70 GLU N N 104 124.895 120.484 4.411 1
1 770 . 7 1 1 A 71 71 GLU H H 105 8.742 7.980 0.762 1
1 771 . 7 1 1 A 71 71 GLU HA H 105 4.048 4.117 -0.069 1
1 776 . 7 1 1 A 71 71 GLU CA C 105 58.570 59.175 -0.605 1
1 777 . 7 1 1 A 71 71 GLU CB C 105 30.270 29.364 0.906 1
1 779 . 7 1 1 A 71 71 GLU N N 105 123.465 120.218 3.247 1
1 780 . 7 1 1 A 72 72 PHE H H 106 9.426 8.747 0.679 1
1 781 . 7 1 1 A 72 72 PHE HA H 106 4.260 4.117 0.143 1
1 789 . 7 1 1 A 72 72 PHE CA C 106 60.000 61.637 -1.637 1
1 790 . 7 1 1 A 72 72 PHE CB C 106 38.440 39.301 -0.861 1
1 796 . 7 1 1 A 72 72 PHE N N 106 120.806 121.412 -0.606 1
1 797 . 7 1 1 A 73 73 ALA H H 107 8.097 8.047 0.050 1
1 798 . 7 1 1 A 73 73 ALA HA H 107 3.790 3.835 -0.045 1
1 802 . 7 1 1 A 73 73 ALA CA C 107 54.010 54.887 -0.877 1
1 803 . 7 1 1 A 73 73 ALA CB C 107 16.691 18.620 -1.929 1
1 804 . 7 1 1 A 73 73 ALA N N 107 126.845 121.255 5.590 1
1 805 . 7 1 1 A 74 74 LEU H H 108 8.431 8.163 0.268 1
1 806 . 7 1 1 A 74 74 LEU HA H 108 4.065 3.659 0.406 1
1 816 . 7 1 1 A 74 74 LEU CA C 108 56.811 57.559 -0.748 1
1 817 . 7 1 1 A 74 74 LEU CB C 108 41.090 41.094 -0.004 1
1 821 . 7 1 1 A 74 74 LEU N N 108 121.250 120.169 1.081 1
1 822 . 7 1 1 A 75 75 ALA H H 109 8.663 8.306 0.357 1
1 823 . 7 1 1 A 75 75 ALA HA H 109 3.660 3.968 -0.308 1
1 827 . 7 1 1 A 75 75 ALA CA C 109 54.220 55.643 -1.423 1
1 828 . 7 1 1 A 75 75 ALA CB C 109 15.220 17.994 -2.774 1
1 829 . 7 1 1 A 75 75 ALA N N 109 122.981 120.674 2.307 1
1 830 . 7 1 1 A 76 76 ASN H H 110 7.249 7.881 -0.632 1
1 831 . 7 1 1 A 76 76 ASN HA H 110 3.800 4.142 -0.342 1
1 836 . 7 1 1 A 76 76 ASN CA C 110 55.500 55.734 -0.234 1
1 837 . 7 1 1 A 76 76 ASN CB C 110 36.610 36.848 -0.238 1
1 838 . 7 1 1 A 76 76 ASN N N 110 115.681 116.345 -0.664 1
1 840 . 7 1 1 A 77 77 HIS H H 111 8.345 7.799 0.546 1
1 841 . 7 1 1 A 77 77 HIS HA H 111 4.092 4.285 -0.193 1
1 846 . 7 1 1 A 77 77 HIS CA C 111 59.180 59.774 -0.594 1
1 847 . 7 1 1 A 77 77 HIS CB C 111 30.420 30.302 0.118 1
1 850 . 7 1 1 A 77 77 HIS N N 111 124.686 121.286 3.400 1
1 851 . 7 1 1 A 78 78 LEU H H 112 8.290 8.276 0.014 1
1 852 . 7 1 1 A 78 78 LEU HA H 112 3.830 3.736 0.094 1
1 862 . 7 1 1 A 78 78 LEU CA C 112 56.115 57.989 -1.874 1
1 863 . 7 1 1 A 78 78 LEU CB C 112 41.000 41.651 -0.651 1
1 867 . 7 1 1 A 78 78 LEU N N 112 119.085 119.441 -0.356 1
1 868 . 7 1 1 A 79 79 ILE H H 113 7.792 8.282 -0.490 1
1 869 . 7 1 1 A 79 79 ILE HA H 113 3.290 3.439 -0.149 1
1 879 . 7 1 1 A 79 79 ILE CA C 113 65.020 65.882 -0.862 1
1 880 . 7 1 1 A 79 79 ILE CB C 113 36.730 38.033 -1.303 1
1 884 . 7 1 1 A 79 79 ILE N N 113 121.304 119.708 1.596 1
1 885 . 7 1 1 A 80 80 LYS H H 114 7.537 8.274 -0.737 1
1 886 . 7 1 1 A 80 80 LYS HA H 114 3.830 4.063 -0.233 1
1 895 . 7 1 1 A 80 80 LYS CA C 114 58.970 58.864 0.106 1
1 896 . 7 1 1 A 80 80 LYS CB C 114 30.470 31.677 -1.207 1
1 900 . 7 1 1 A 80 80 LYS N N 114 122.150 120.416 1.734 1
1 901 . 7 1 1 A 81 81 VAL H H 115 8.110 8.016 0.094 1
1 902 . 7 1 1 A 81 81 VAL HA H 115 3.740 3.481 0.259 1
1 910 . 7 1 1 A 81 81 VAL CA C 115 64.500 66.765 -2.265 1
1 911 . 7 1 1 A 81 81 VAL CB C 115 30.050 31.267 -1.217 1
1 914 . 7 1 1 A 81 81 VAL N N 115 118.999 119.715 -0.716 1
1 915 . 7 1 1 A 82 82 LYS H H 116 7.853 7.772 0.081 1
1 916 . 7 1 1 A 82 82 LYS HA H 116 4.550 4.030 0.520 1
1 925 . 7 1 1 A 82 82 LYS CA C 116 56.000 59.562 -3.562 1
1 926 . 7 1 1 A 82 82 LYS CB C 116 30.340 31.994 -1.654 1
1 930 . 7 1 1 A 82 82 LYS N N 116 123.030 119.087 3.943 1
1 931 . 7 1 1 A 83 83 LEU H H 117 8.959 8.186 0.773 1
1 932 . 7 1 1 A 83 83 LEU HA H 117 4.090 4.065 0.025 1
1 942 . 7 1 1 A 83 83 LEU CA C 117 56.620 57.833 -1.213 1
1 943 . 7 1 1 A 83 83 LEU CB C 117 40.361 41.844 -1.483 1
1 947 . 7 1 1 A 83 83 LEU N N 117 125.378 121.701 3.677 1
1 948 . 7 1 1 A 84 84 GLU H H 118 7.817 8.195 -0.378 1
1 949 . 7 1 1 A 84 84 GLU HA H 118 4.164 4.214 -0.050 1
1 954 . 7 1 1 A 84 84 GLU CA C 118 55.600 56.584 -0.984 1
1 955 . 7 1 1 A 84 84 GLU CB C 118 28.600 29.971 -1.371 1
1 957 . 7 1 1 A 84 84 GLU N N 118 119.766 115.978 3.788 1
1 958 . 7 1 1 A 85 85 GLY H H 119 7.862 7.610 0.252 1
1 959 . 7 1 1 A 85 85 GLY HA2 H 119 3.650 3.846 -0.196 1
1 960 . 7 1 1 A 85 85 GLY HA3 H 119 4.140 3.910 0.230 1
1 961 . 7 1 1 A 85 85 GLY CA C 119 43.690 45.468 -1.778 1
1 962 . 7 1 1 A 85 85 GLY N N 119 107.902 107.834 0.068 1
1 963 . 7 1 1 A 86 86 HIS H H 120 7.714 7.887 -0.173 1
1 964 . 7 1 1 A 86 86 HIS HA H 120 4.680 4.840 -0.160 1
1 969 . 7 1 1 A 86 86 HIS CA C 120 53.900 55.618 -1.718 1
1 970 . 7 1 1 A 86 86 HIS CB C 120 29.390 33.465 -4.075 1
1 972 . 7 1 1 A 86 86 HIS N N 120 122.124 117.259 4.865 1
1 973 . 7 1 1 A 87 87 GLU H H 121 8.491 8.867 -0.376 1
1 974 . 7 1 1 A 87 87 GLU HA H 121 4.310 5.117 -0.807 1
1 979 . 7 1 1 A 87 87 GLU CA C 121 54.000 55.121 -1.121 1
1 980 . 7 1 1 A 87 87 GLU CB C 121 29.120 32.343 -3.223 1
1 982 . 7 1 1 A 87 87 GLU N N 121 121.826 119.639 2.187 1
1 983 . 7 1 1 A 88 88 LEU H H 122 8.672 8.780 -0.108 1
1 984 . 7 1 1 A 88 88 LEU HA H 122 4.420 4.958 -0.538 1
1 994 . 7 1 1 A 88 88 LEU CA C 122 50.777 50.902 -0.125 1
1 995 . 7 1 1 A 88 88 LEU CB C 122 39.986 44.231 -4.245 1
1 999 . 7 1 1 A 88 88 LEU N N 122 125.316 119.336 5.980 1
1 1000 . 7 1 1 A 89 89 PRO HA H 123 4.570 4.419 0.151 1
1 1007 . 7 1 1 A 89 89 PRO CA C 123 60.690 63.937 -3.247 1
1 1008 . 7 1 1 A 89 89 PRO CB C 123 30.320 31.907 -1.587 1
1 1011 . 7 1 1 A 90 90 ALA H H 124 8.451 7.998 0.453 1
1 1012 . 7 1 1 A 90 90 ALA HA H 124 4.080 3.940 0.140 1
1 1016 . 7 1 1 A 90 90 ALA CA C 124 52.700 53.609 -0.909 1
1 1017 . 7 1 1 A 90 90 ALA CB C 124 17.760 17.895 -0.135 1
1 1018 . 7 1 1 A 90 90 ALA N N 124 123.603 120.327 3.276 1
1 1019 . 7 1 1 A 91 91 ASP H H 125 7.473 7.804 -0.331 1
1 1020 . 7 1 1 A 91 91 ASP HA H 125 4.640 5.079 -0.439 1
1 1023 . 7 1 1 A 91 91 ASP CA C 125 50.340 52.870 -2.530 1
1 1024 . 7 1 1 A 91 91 ASP CB C 125 42.620 43.115 -0.495 1
1 1025 . 7 1 1 A 91 91 ASP N N 125 115.317 117.270 -1.953 1
1 1026 . 7 1 1 A 92 92 LEU H H 126 8.883 8.679 0.204 1
1 1027 . 7 1 1 A 92 92 LEU HA H 126 4.200 4.924 -0.724 1
1 1037 . 7 1 1 A 92 92 LEU CA C 126 51.930 51.349 0.581 1
1 1038 . 7 1 1 A 92 92 LEU CB C 126 41.032 44.038 -3.006 1
1 1042 . 7 1 1 A 92 92 LEU N N 126 125.329 123.262 2.067 1
1 1043 . 7 1 1 A 93 93 PRO HA H 127 4.870 4.668 0.202 1
1 1050 . 7 1 1 A 93 93 PRO CA C 127 59.820 61.613 -1.793 1
1 1051 . 7 1 1 A 93 93 PRO CB C 127 29.800 32.232 -2.432 1
1 1054 . 7 1 1 A 94 94 PRO HA H 128 4.230 4.212 0.018 1
1 1061 . 7 1 1 A 94 94 PRO CA C 128 64.560 65.258 -0.698 1
1 1062 . 7 1 1 A 94 94 PRO CB C 128 30.900 31.846 -0.946 1
1 1065 . 7 1 1 A 95 95 HIS H H 129 7.922 8.267 -0.345 1
1 1066 . 7 1 1 A 95 95 HIS HA H 129 4.650 4.563 0.087 1
1 1071 . 7 1 1 A 95 95 HIS CA C 129 56.810 56.127 0.683 1
1 1072 . 7 1 1 A 95 95 HIS CB C 129 28.100 29.792 -1.692 1
1 1075 . 7 1 1 A 95 95 HIS N N 129 112.757 114.279 -1.522 1
1 1076 . 7 1 1 A 96 96 LEU H H 130 7.709 7.601 0.108 1
1 1077 . 7 1 1 A 96 96 LEU HA H 130 4.646 4.449 0.197 1
1 1087 . 7 1 1 A 96 96 LEU CA C 130 53.100 54.389 -1.289 1
1 1088 . 7 1 1 A 96 96 LEU CB C 130 42.210 43.246 -1.036 1
1 1092 . 7 1 1 A 96 96 LEU N N 130 121.128 118.855 2.273 1
1 1093 . 7 1 1 A 97 97 VAL H H 131 7.184 7.559 -0.375 1
1 1094 . 7 1 1 A 97 97 VAL HA H 131 3.730 4.322 -0.592 1
1 1102 . 7 1 1 A 97 97 VAL CA C 131 60.520 59.427 1.093 1
1 1103 . 7 1 1 A 97 97 VAL CB C 131 31.310 32.206 -0.896 1
1 1106 . 7 1 1 A 97 97 VAL N N 131 125.572 120.835 4.737 1
1 1107 . 7 1 1 A 98 98 PRO HA H 132 2.700 4.515 -1.815 1
1 1114 . 7 1 1 A 98 98 PRO CA C 132 59.400 61.600 -2.200 1
1 1115 . 7 1 1 A 98 98 PRO CB C 132 30.250 32.045 -1.795 1
1 1118 . 7 1 1 A 99 99 PRO HA H 133 3.620 4.326 -0.706 1
1 1125 . 7 1 1 A 99 99 PRO CA C 133 64.760 64.302 0.458 1
1 1126 . 7 1 1 A 99 99 PRO CB C 133 30.770 31.617 -0.847 1
1 1129 . 7 1 1 A 100 100 SER H H 134 9.195 8.276 0.919 1
1 1130 . 7 1 1 A 100 100 SER HA H 134 4.150 4.309 -0.159 1
1 1133 . 7 1 1 A 100 100 SER CA C 134 59.660 60.472 -0.812 1
1 1134 . 7 1 1 A 100 100 SER CB C 134 61.320 63.187 -1.867 1
1 1135 . 7 1 1 A 100 100 SER N N 134 115.005 113.504 1.501 1
1 1136 . 7 1 1 A 101 101 LYS H H 135 7.867 7.348 0.519 1
1 1137 . 7 1 1 A 101 101 LYS HA H 135 4.480 4.367 0.113 1
1 1146 . 7 1 1 A 101 101 LYS CA C 135 52.490 56.108 -3.618 1
1 1147 . 7 1 1 A 101 101 LYS CB C 135 30.600 32.983 -2.383 1
1 1151 . 7 1 1 A 101 101 LYS N N 135 121.053 117.303 3.750 1
1 1152 . 7 1 1 A 102 102 ARG H H 136 7.077 7.617 -0.540 1
1 1153 . 7 1 1 A 102 102 ARG HA H 136 4.110 4.873 -0.763 1
1 1164 . 7 1 1 A 102 102 ARG CA C 136 55.440 55.390 0.050 1
1 1165 . 7 1 1 A 102 102 ARG CB C 136 29.100 31.323 -2.223 1
1 1168 . 7 1 1 A 102 102 ARG N N 136 121.939 117.493 4.446 1
1 1169 . 7 1 1 A 103 103 ARG H H 137 8.289 9.024 -0.735 1
1 1170 . 7 1 1 A 103 103 ARG HA H 137 4.300 5.272 -0.972 1
1 1181 . 7 1 1 A 103 103 ARG CA C 137 54.100 54.936 -0.836 1
1 1182 . 7 1 1 A 103 103 ARG CB C 137 29.700 33.014 -3.314 1
1 1185 . 7 1 1 A 103 103 ARG N N 137 123.504 124.367 -0.863 1
1 1186 . 7 1 1 A 104 104 HIS H H 138 8.370 8.962 -0.592 1
1 1187 . 7 1 1 A 104 104 HIS HA H 138 4.678 4.953 -0.275 1
1 1192 . 7 1 1 A 104 104 HIS CA C 138 54.110 54.447 -0.337 1
1 1193 . 7 1 1 A 104 104 HIS CB C 138 28.730 33.248 -4.518 1
1 1 . 8 1 1 A 7 7 ASP H H 41 8.479 8.601 -0.122 1
1 2 . 8 1 1 A 7 7 ASP HA H 41 4.650 4.762 -0.112 1
1 5 . 8 1 1 A 7 7 ASP CA C 41 53.120 54.303 -1.183 1
1 6 . 8 1 1 A 7 7 ASP CB C 41 39.840 41.078 -1.238 1
1 7 . 8 1 1 A 7 7 ASP N N 41 124.447 123.055 1.392 1
1 8 . 8 1 1 A 8 8 VAL H H 42 7.916 8.897 -0.981 1
1 9 . 8 1 1 A 8 8 VAL HA H 42 4.150 4.746 -0.596 1
1 17 . 8 1 1 A 8 8 VAL CA C 42 60.500 60.393 0.107 1
1 18 . 8 1 1 A 8 8 VAL CB C 42 31.540 34.065 -2.525 1
1 21 . 8 1 1 A 8 8 VAL N N 42 120.853 125.004 -4.151 1
1 22 . 8 1 1 A 9 9 GLU H H 43 8.476 8.736 -0.260 1
1 23 . 8 1 1 A 9 9 GLU HA H 43 4.300 4.566 -0.266 1
1 28 . 8 1 1 A 9 9 GLU CA C 43 55.400 56.134 -0.734 1
1 29 . 8 1 1 A 9 9 GLU CB C 43 29.120 30.029 -0.909 1
1 31 . 8 1 1 A 9 9 GLU N N 43 127.650 128.542 -0.892 1
1 32 . 8 1 1 A 10 10 TRP H H 44 8.839 8.840 -0.001 1
1 33 . 8 1 1 A 10 10 TRP HA H 44 5.240 4.783 0.457 1
1 42 . 8 1 1 A 10 10 TRP CA C 44 54.290 56.669 -2.379 1
1 43 . 8 1 1 A 10 10 TRP CB C 44 27.330 30.569 -3.239 1
1 49 . 8 1 1 A 10 10 TRP N N 44 126.406 125.728 0.678 1
1 50 . 8 1 1 A 11 11 VAL H H 45 9.230 8.528 0.702 1
1 51 . 8 1 1 A 11 11 VAL HA H 45 3.900 3.569 0.331 1
1 59 . 8 1 1 A 11 11 VAL CA C 45 63.500 66.419 -2.919 1
1 60 . 8 1 1 A 11 11 VAL CB C 45 30.420 31.422 -1.002 1
1 63 . 8 1 1 A 11 11 VAL N N 45 131.353 126.890 4.463 1
1 64 . 8 1 1 A 12 12 VAL H H 46 5.020 7.044 -2.024 1
1 65 . 8 1 1 A 12 12 VAL HA H 46 3.050 3.321 -0.271 1
1 73 . 8 1 1 A 12 12 VAL CA C 46 60.540 65.726 -5.186 1
1 74 . 8 1 1 A 12 12 VAL CB C 46 29.280 30.323 -1.043 1
1 77 . 8 1 1 A 13 13 GLY H H 47 7.330 8.268 -0.938 1
1 78 . 8 1 1 A 13 13 GLY HA2 H 47 3.600 3.982 -0.382 1
1 79 . 8 1 1 A 13 13 GLY HA3 H 47 4.194 4.029 0.165 1
1 80 . 8 1 1 A 13 13 GLY CA C 47 46.400 46.527 -0.127 1
1 81 . 8 1 1 A 14 14 LYS H H 48 7.581 7.468 0.113 1
1 82 . 8 1 1 A 14 14 LYS HA H 48 4.077 4.061 0.016 1
1 91 . 8 1 1 A 14 14 LYS CA C 48 57.420 58.926 -1.506 1
1 92 . 8 1 1 A 14 14 LYS CB C 48 30.490 32.495 -2.005 1
1 96 . 8 1 1 A 14 14 LYS N N 48 121.084 119.849 1.235 1
1 97 . 8 1 1 A 15 15 ASP H H 49 7.309 7.654 -0.345 1
1 98 . 8 1 1 A 15 15 ASP HA H 49 4.770 4.801 -0.031 1
1 101 . 8 1 1 A 15 15 ASP CA C 49 52.880 52.446 0.434 1
1 102 . 8 1 1 A 15 15 ASP CB C 49 41.910 41.633 0.277 1
1 103 . 8 1 1 A 15 15 ASP N N 49 118.181 119.460 -1.279 1
1 104 . 8 1 1 A 16 16 LYS H H 50 7.506 7.633 -0.127 1
1 105 . 8 1 1 A 16 16 LYS HA H 50 4.068 3.935 0.133 1
1 114 . 8 1 1 A 16 16 LYS CA C 50 60.180 60.885 -0.705 1
1 115 . 8 1 1 A 16 16 LYS CB C 50 30.193 31.783 -1.590 1
1 119 . 8 1 1 A 16 16 LYS N N 50 123.633 121.465 2.168 1
1 120 . 8 1 1 A 17 17 PRO HA H 51 4.440 4.422 0.018 1
1 127 . 8 1 1 A 17 17 PRO CA C 51 65.660 65.353 0.307 1
1 128 . 8 1 1 A 17 17 PRO CB C 51 29.600 31.171 -1.571 1
1 131 . 8 1 1 A 18 18 THR H H 52 7.280 7.523 -0.243 1
1 132 . 8 1 1 A 18 18 THR HA H 52 3.980 4.048 -0.068 1
1 137 . 8 1 1 A 18 18 THR CA C 52 64.440 65.201 -0.761 1
1 138 . 8 1 1 A 18 18 THR CB C 52 67.210 68.179 -0.969 1
1 140 . 8 1 1 A 18 18 THR N N 52 115.095 111.888 3.207 1
1 141 . 8 1 1 A 19 19 TYR H H 53 7.083 7.484 -0.401 1
1 142 . 8 1 1 A 19 19 TYR HA H 53 4.728 4.411 0.317 1
1 149 . 8 1 1 A 19 19 TYR CA C 53 57.110 62.168 -5.058 1
1 150 . 8 1 1 A 19 19 TYR CB C 53 35.170 37.100 -1.930 1
1 155 . 8 1 1 A 19 19 TYR N N 53 125.380 119.649 5.731 1
1 156 . 8 1 1 A 20 20 ASP H H 54 9.588 8.687 0.901 1
1 157 . 8 1 1 A 20 20 ASP HA H 54 4.520 4.598 -0.078 1
1 160 . 8 1 1 A 20 20 ASP CA C 54 55.515 57.902 -2.387 1
1 161 . 8 1 1 A 20 20 ASP CB C 54 38.740 41.587 -2.847 1
1 162 . 8 1 1 A 20 20 ASP N N 54 124.548 122.044 2.504 1
1 163 . 8 1 1 A 21 21 GLU H H 55 7.309 8.216 -0.907 1
1 164 . 8 1 1 A 21 21 GLU HA H 55 4.140 4.202 -0.062 1
1 169 . 8 1 1 A 21 21 GLU CA C 55 58.100 59.377 -1.277 1
1 170 . 8 1 1 A 21 21 GLU CB C 55 28.400 29.596 -1.196 1
1 172 . 8 1 1 A 21 21 GLU N N 55 118.181 118.996 -0.815 1
1 173 . 8 1 1 A 22 22 ILE H H 56 7.249 7.855 -0.606 1
1 174 . 8 1 1 A 22 22 ILE HA H 56 3.946 4.088 -0.142 1
1 184 . 8 1 1 A 22 22 ILE CA C 56 62.400 64.648 -2.248 1
1 185 . 8 1 1 A 22 22 ILE CB C 56 37.597 37.261 0.336 1
1 189 . 8 1 1 A 22 22 ILE N N 56 118.978 120.883 -1.905 1
1 190 . 8 1 1 A 23 23 PHE H H 57 9.117 8.864 0.253 1
1 191 . 8 1 1 A 23 23 PHE HA H 57 3.100 3.922 -0.822 1
1 199 . 8 1 1 A 23 23 PHE CA C 57 61.330 61.527 -0.197 1
1 200 . 8 1 1 A 23 23 PHE CB C 57 38.250 39.056 -0.806 1
1 206 . 8 1 1 A 23 23 PHE N N 57 127.639 122.962 4.677 1
1 207 . 8 1 1 A 24 24 TYR H H 58 7.903 8.389 -0.486 1
1 208 . 8 1 1 A 24 24 TYR HA H 58 4.000 4.513 -0.513 1
1 215 . 8 1 1 A 24 24 TYR CA C 58 60.480 59.555 0.925 1
1 216 . 8 1 1 A 24 24 TYR CB C 58 36.086 37.659 -1.573 1
1 221 . 8 1 1 A 24 24 TYR N N 58 112.757 115.358 -2.601 1
1 222 . 8 1 1 A 25 25 THR H H 59 8.081 7.455 0.626 1
1 223 . 8 1 1 A 25 25 THR HA H 59 4.650 4.637 0.013 1
1 229 . 8 1 1 A 25 25 THR CA C 59 61.770 61.267 0.503 1
1 230 . 8 1 1 A 25 25 THR CB C 59 68.700 70.112 -1.412 1
1 232 . 8 1 1 A 25 25 THR N N 59 112.676 109.666 3.010 1
1 233 . 8 1 1 A 26 26 LEU H H 60 7.373 7.163 0.210 1
1 234 . 8 1 1 A 26 26 LEU HA H 60 4.470 4.335 0.135 1
1 244 . 8 1 1 A 26 26 LEU CA C 60 52.330 54.020 -1.690 1
1 245 . 8 1 1 A 26 26 LEU CB C 60 38.700 41.790 -3.090 1
1 249 . 8 1 1 A 26 26 LEU N N 60 125.808 120.510 5.298 1
1 250 . 8 1 1 A 27 27 SER H H 61 7.860 7.930 -0.070 1
1 251 . 8 1 1 A 27 27 SER HA H 61 3.990 4.050 -0.060 1
1 254 . 8 1 1 A 27 27 SER CA C 61 56.300 58.997 -2.697 1
1 255 . 8 1 1 A 27 27 SER CB C 61 60.230 61.588 -1.358 1
1 256 . 8 1 1 A 27 27 SER N N 61 111.582 113.941 -2.359 1
1 257 . 8 1 1 A 28 28 PRO HA H 62 4.210 4.491 -0.281 1
1 264 . 8 1 1 A 28 28 PRO CA C 62 61.600 62.174 -0.574 1
1 265 . 8 1 1 A 28 28 PRO CB C 62 29.890 31.615 -1.725 1
1 268 . 8 1 1 A 29 29 VAL H H 63 8.750 8.843 -0.093 1
1 269 . 8 1 1 A 29 29 VAL HA H 63 4.180 4.467 -0.287 1
1 277 . 8 1 1 A 29 29 VAL CA C 63 60.660 61.104 -0.444 1
1 278 . 8 1 1 A 29 29 VAL CB C 63 32.878 32.370 0.508 1
1 281 . 8 1 1 A 29 29 VAL N N 63 124.299 123.416 0.883 1
1 282 . 8 1 1 A 30 30 ASN H H 64 9.713 9.550 0.163 1
1 283 . 8 1 1 A 30 30 ASN HA H 64 4.420 4.497 -0.077 1
1 288 . 8 1 1 A 30 30 ASN CA C 64 52.940 54.556 -1.616 1
1 289 . 8 1 1 A 30 30 ASN CB C 64 36.300 36.907 -0.607 1
1 290 . 8 1 1 A 30 30 ASN N N 64 129.729 127.845 1.884 1
1 292 . 8 1 1 A 31 31 GLY H H 65 8.862 8.573 0.289 1
1 293 . 8 1 1 A 31 31 GLY HA2 H 65 3.760 3.927 -0.167 1
1 294 . 8 1 1 A 31 31 GLY HA3 H 65 4.260 3.980 0.280 1
1 295 . 8 1 1 A 31 31 GLY CA C 65 44.260 45.585 -1.325 1
1 296 . 8 1 1 A 31 31 GLY N N 65 130.591 104.411 26.180 1
1 297 . 8 1 1 A 32 32 LYS H H 66 7.501 7.670 -0.169 1
1 298 . 8 1 1 A 32 32 LYS HA H 66 5.420 5.005 0.415 1
1 307 . 8 1 1 A 32 32 LYS CA C 66 53.900 54.460 -0.560 1
1 308 . 8 1 1 A 32 32 LYS CB C 66 36.200 35.126 1.074 1
1 312 . 8 1 1 A 32 32 LYS N N 66 118.738 119.960 -1.222 1
1 313 . 8 1 1 A 33 33 ILE H H 67 9.230 8.877 0.353 1
1 314 . 8 1 1 A 33 33 ILE HA H 67 5.030 4.653 0.377 1
1 324 . 8 1 1 A 33 33 ILE CA C 67 57.470 59.463 -1.993 1
1 325 . 8 1 1 A 33 33 ILE CB C 67 39.880 39.415 0.465 1
1 329 . 8 1 1 A 33 33 ILE N N 67 118.166 119.726 -1.560 1
1 330 . 8 1 1 A 34 34 THR H H 68 8.242 8.179 0.063 1
1 331 . 8 1 1 A 34 34 THR HA H 68 4.560 4.686 -0.126 1
1 337 . 8 1 1 A 34 34 THR CA C 68 58.970 59.910 -0.940 1
1 338 . 8 1 1 A 34 34 THR CB C 68 69.910 71.195 -1.285 1
1 340 . 8 1 1 A 34 34 THR N N 68 111.971 113.144 -1.173 1
1 341 . 8 1 1 A 35 35 GLY H H 69 8.987 8.933 0.054 1
1 342 . 8 1 1 A 35 35 GLY HA2 H 69 3.530 3.778 -0.248 1
1 343 . 8 1 1 A 35 35 GLY HA3 H 69 3.830 4.112 -0.282 1
1 344 . 8 1 1 A 35 35 GLY CA C 69 46.900 46.965 -0.065 1
1 345 . 8 1 1 A 35 35 GLY N N 69 110.332 109.130 1.202 1
1 346 . 8 1 1 A 36 36 ALA H H 70 8.289 7.986 0.303 1
1 347 . 8 1 1 A 36 36 ALA HA H 70 3.890 3.935 -0.045 1
1 351 . 8 1 1 A 36 36 ALA CA C 70 53.830 54.565 -0.735 1
1 352 . 8 1 1 A 36 36 ALA CB C 70 16.900 18.807 -1.907 1
1 353 . 8 1 1 A 36 36 ALA N N 70 123.588 124.568 -0.980 1
1 354 . 8 1 1 A 37 37 ASN H H 71 7.550 7.592 -0.042 1
1 355 . 8 1 1 A 37 37 ASN HA H 71 4.690 4.529 0.161 1
1 360 . 8 1 1 A 37 37 ASN CA C 71 54.000 55.793 -1.793 1
1 361 . 8 1 1 A 37 37 ASN CB C 71 36.300 38.153 -1.853 1
1 362 . 8 1 1 A 37 37 ASN N N 71 118.594 117.170 1.424 1
1 364 . 8 1 1 A 38 38 ALA H H 72 8.825 7.993 0.832 1
1 365 . 8 1 1 A 38 38 ALA HA H 72 4.110 4.292 -0.182 1
1 369 . 8 1 1 A 38 38 ALA CA C 72 54.340 55.615 -1.275 1
1 370 . 8 1 1 A 38 38 ALA CB C 72 17.970 18.658 -0.688 1
1 371 . 8 1 1 A 38 38 ALA N N 72 123.885 122.679 1.206 1
1 372 . 8 1 1 A 39 39 LYS H H 73 8.798 8.237 0.561 1
1 373 . 8 1 1 A 39 39 LYS HA H 73 3.940 3.934 0.006 1
1 382 . 8 1 1 A 39 39 LYS CA C 73 59.000 59.747 -0.747 1
1 383 . 8 1 1 A 39 39 LYS CB C 73 30.880 32.241 -1.361 1
1 387 . 8 1 1 A 39 39 LYS N N 73 120.109 118.506 1.603 1
1 388 . 8 1 1 A 40 40 LYS H H 74 7.295 8.007 -0.712 1
1 389 . 8 1 1 A 40 40 LYS HA H 74 3.990 3.953 0.037 1
1 398 . 8 1 1 A 40 40 LYS CA C 74 58.240 59.837 -1.597 1
1 399 . 8 1 1 A 40 40 LYS CB C 74 30.900 32.433 -1.533 1
1 403 . 8 1 1 A 40 40 LYS N N 74 118.573 119.154 -0.581 1
1 404 . 8 1 1 A 41 41 GLU H H 75 7.111 7.984 -0.873 1
1 405 . 8 1 1 A 41 41 GLU HA H 75 4.450 4.120 0.330 1
1 410 . 8 1 1 A 41 41 GLU CA C 75 56.260 59.519 -3.259 1
1 411 . 8 1 1 A 41 41 GLU CB C 75 28.900 29.119 -0.219 1
1 413 . 8 1 1 A 41 41 GLU N N 75 117.503 118.857 -1.354 1
1 414 . 8 1 1 A 42 42 MET H H 76 8.672 8.429 0.243 1
1 415 . 8 1 1 A 42 42 MET HA H 76 4.020 4.213 -0.193 1
1 423 . 8 1 1 A 42 42 MET CA C 76 58.980 58.749 0.231 1
1 424 . 8 1 1 A 42 42 MET CB C 76 33.270 31.595 1.675 1
1 427 . 8 1 1 A 42 42 MET N N 76 121.435 119.027 2.408 1
1 428 . 8 1 1 A 43 43 VAL H H 77 8.703 8.198 0.505 1
1 429 . 8 1 1 A 43 43 VAL HA H 77 4.070 3.622 0.448 1
1 437 . 8 1 1 A 43 43 VAL CA C 77 63.490 66.903 -3.413 1
1 438 . 8 1 1 A 43 43 VAL CB C 77 30.570 31.549 -0.979 1
1 441 . 8 1 1 A 43 43 VAL N N 77 117.135 120.667 -3.532 1
1 442 . 8 1 1 A 44 44 LYS H H 78 7.475 7.922 -0.447 1
1 443 . 8 1 1 A 44 44 LYS HA H 78 4.130 4.229 -0.099 1
1 452 . 8 1 1 A 44 44 LYS CA C 78 57.760 59.318 -1.558 1
1 453 . 8 1 1 A 44 44 LYS CB C 78 30.990 32.362 -1.372 1
1 457 . 8 1 1 A 44 44 LYS N N 78 124.308 120.329 3.979 1
1 458 . 8 1 1 A 45 45 SER H H 79 7.534 7.434 0.100 1
1 459 . 8 1 1 A 45 45 SER HA H 79 4.080 4.471 -0.391 1
1 462 . 8 1 1 A 45 45 SER CA C 79 59.440 59.519 -0.079 1
1 463 . 8 1 1 A 45 45 SER CB C 79 64.580 63.562 1.018 1
1 464 . 8 1 1 A 45 45 SER N N 79 114.575 113.196 1.379 1
1 465 . 8 1 1 A 46 46 LYS H H 80 7.822 7.711 0.111 1
1 466 . 8 1 1 A 46 46 LYS HA H 80 3.940 3.912 0.028 1
1 475 . 8 1 1 A 46 46 LYS CA C 80 57.020 57.563 -0.543 1
1 476 . 8 1 1 A 46 46 LYS CB C 80 27.840 29.150 -1.310 1
1 480 . 8 1 1 A 46 46 LYS N N 80 114.855 118.471 -3.616 1
1 481 . 8 1 1 A 47 47 LEU H H 81 7.486 7.881 -0.395 1
1 482 . 8 1 1 A 47 47 LEU HA H 81 4.490 4.469 0.021 1
1 492 . 8 1 1 A 47 47 LEU CA C 81 52.000 52.785 -0.785 1
1 493 . 8 1 1 A 47 47 LEU CB C 81 40.400 41.375 -0.975 1
1 497 . 8 1 1 A 47 47 LEU N N 81 122.848 120.024 2.824 1
1 498 . 8 1 1 A 48 48 PRO HA H 82 4.520 4.564 -0.044 1
1 505 . 8 1 1 A 48 48 PRO CA C 82 60.910 62.851 -1.941 1
1 506 . 8 1 1 A 48 48 PRO CB C 82 31.550 32.793 -1.243 1
1 509 . 8 1 1 A 49 49 ASN H H 83 7.580 8.666 -1.086 1
1 510 . 8 1 1 A 49 49 ASN HA H 83 4.270 4.374 -0.104 1
1 515 . 8 1 1 A 49 49 ASN CA C 83 56.000 56.330 -0.330 1
1 516 . 8 1 1 A 49 49 ASN CB C 83 36.900 38.187 -1.287 1
1 518 . 8 1 1 A 50 50 THR H H 84 7.260 8.006 -0.746 1
1 519 . 8 1 1 A 50 50 THR HA H 84 4.020 3.973 0.047 1
1 524 . 8 1 1 A 50 50 THR CA C 84 63.474 67.045 -3.571 1
1 525 . 8 1 1 A 50 50 THR CB C 84 66.850 68.167 -1.317 1
1 527 . 8 1 1 A 51 51 VAL H H 85 6.887 7.734 -0.847 1
1 528 . 8 1 1 A 51 51 VAL HA H 85 3.660 3.616 0.044 1
1 536 . 8 1 1 A 51 51 VAL CA C 85 64.300 66.716 -2.416 1
1 537 . 8 1 1 A 51 51 VAL CB C 85 30.500 31.500 -1.000 1
1 540 . 8 1 1 A 51 51 VAL N N 85 125.031 122.036 2.995 1
1 541 . 8 1 1 A 52 52 LEU H H 86 8.006 8.511 -0.505 1
1 542 . 8 1 1 A 52 52 LEU HA H 86 3.710 4.077 -0.367 1
1 552 . 8 1 1 A 52 52 LEU CA C 86 56.600 58.527 -1.927 1
1 553 . 8 1 1 A 52 52 LEU CB C 86 38.940 41.702 -2.762 1
1 557 . 8 1 1 A 52 52 LEU N N 86 121.391 120.292 1.099 1
1 558 . 8 1 1 A 53 53 GLY H H 87 8.438 8.684 -0.246 1
1 559 . 8 1 1 A 53 53 GLY HA2 H 87 3.850 3.783 0.067 1
1 560 . 8 1 1 A 53 53 GLY HA3 H 87 3.990 3.814 0.176 1
1 561 . 8 1 1 A 53 53 GLY CA C 87 46.200 47.222 -1.022 1
1 562 . 8 1 1 A 53 53 GLY N N 87 108.191 105.379 2.812 1
1 563 . 8 1 1 A 54 54 LYS H H 88 7.300 8.187 -0.887 1
1 564 . 8 1 1 A 54 54 LYS HA H 88 4.130 4.088 0.042 1
1 573 . 8 1 1 A 54 54 LYS CA C 88 57.890 59.124 -1.234 1
1 574 . 8 1 1 A 54 54 LYS CB C 88 31.000 31.793 -0.793 1
1 578 . 8 1 1 A 54 54 LYS N N 88 125.192 121.218 3.974 1
1 579 . 8 1 1 A 55 55 ILE H H 89 8.055 8.071 -0.016 1
1 580 . 8 1 1 A 55 55 ILE HA H 89 3.476 3.751 -0.275 1
1 590 . 8 1 1 A 55 55 ILE CA C 89 65.360 65.089 0.271 1
1 591 . 8 1 1 A 55 55 ILE CB C 89 36.300 37.525 -1.225 1
1 595 . 8 1 1 A 55 55 ILE N N 89 122.309 120.724 1.585 1
1 596 . 8 1 1 A 56 56 TRP H H 90 8.749 8.464 0.285 1
1 597 . 8 1 1 A 56 56 TRP HA H 90 3.880 4.165 -0.285 1
1 606 . 8 1 1 A 56 56 TRP CA C 90 60.260 60.512 -0.252 1
1 607 . 8 1 1 A 56 56 TRP CB C 90 27.660 29.843 -2.183 1
1 613 . 8 1 1 A 56 56 TRP N N 90 122.116 122.364 -0.248 1
1 615 . 8 1 1 A 57 57 LYS H H 91 7.581 8.605 -1.024 1
1 616 . 8 1 1 A 57 57 LYS HA H 91 3.910 4.203 -0.293 1
1 625 . 8 1 1 A 57 57 LYS CA C 91 57.790 58.260 -0.470 1
1 626 . 8 1 1 A 57 57 LYS CB C 91 31.300 32.417 -1.117 1
1 630 . 8 1 1 A 57 57 LYS N N 91 116.341 118.219 -1.878 1
1 631 . 8 1 1 A 58 58 LEU H H 92 7.580 7.363 0.217 1
1 632 . 8 1 1 A 58 58 LEU HA H 92 4.000 4.187 -0.187 1
1 642 . 8 1 1 A 58 58 LEU CA C 92 55.780 57.465 -1.685 1
1 643 . 8 1 1 A 58 58 LEU CB C 92 42.570 42.618 -0.048 1
1 647 . 8 1 1 A 58 58 LEU N N 92 119.793 118.072 1.721 1
1 648 . 8 1 1 A 59 59 ALA H H 93 8.157 8.190 -0.033 1
1 649 . 8 1 1 A 59 59 ALA HA H 93 4.130 4.166 -0.036 1
1 653 . 8 1 1 A 59 59 ALA CA C 93 52.400 54.575 -2.175 1
1 654 . 8 1 1 A 59 59 ALA CB C 93 17.560 18.202 -0.642 1
1 655 . 8 1 1 A 59 59 ALA N N 93 120.126 120.676 -0.550 1
1 656 . 8 1 1 A 60 60 ASP H H 94 7.499 7.909 -0.410 1
1 657 . 8 1 1 A 60 60 ASP HA H 94 4.550 4.368 0.182 1
1 660 . 8 1 1 A 60 60 ASP CA C 94 50.380 53.475 -3.095 1
1 661 . 8 1 1 A 60 60 ASP CB C 94 35.220 39.656 -4.436 1
1 662 . 8 1 1 A 60 60 ASP N N 94 115.431 117.774 -2.343 1
1 663 . 8 1 1 A 61 61 VAL H H 95 8.352 7.901 0.451 1
1 664 . 8 1 1 A 61 61 VAL HA H 95 3.510 3.622 -0.112 1
1 672 . 8 1 1 A 61 61 VAL CA C 95 64.360 64.653 -0.293 1
1 673 . 8 1 1 A 61 61 VAL CB C 95 31.330 31.333 -0.003 1
1 676 . 8 1 1 A 61 61 VAL N N 95 129.573 123.058 6.515 1
1 677 . 8 1 1 A 62 62 ASP H H 96 7.927 8.061 -0.134 1
1 678 . 8 1 1 A 62 62 ASP HA H 96 4.540 4.573 -0.033 1
1 681 . 8 1 1 A 62 62 ASP CA C 96 51.630 54.619 -2.989 1
1 682 . 8 1 1 A 62 62 ASP CB C 96 38.300 41.047 -2.747 1
1 683 . 8 1 1 A 62 62 ASP N N 96 115.789 121.058 -5.269 1
1 684 . 8 1 1 A 63 63 LYS H H 97 7.551 7.764 -0.213 1
1 685 . 8 1 1 A 63 63 LYS HA H 97 3.880 4.209 -0.329 1
1 694 . 8 1 1 A 63 63 LYS CA C 97 56.450 57.204 -0.754 1
1 695 . 8 1 1 A 63 63 LYS CB C 97 28.000 28.952 -0.952 1
1 699 . 8 1 1 A 63 63 LYS N N 97 115.740 115.105 0.635 1
1 700 . 8 1 1 A 64 64 ASP H H 98 8.363 8.308 0.055 1
1 701 . 8 1 1 A 64 64 ASP HA H 98 4.660 4.672 -0.012 1
1 704 . 8 1 1 A 64 64 ASP CA C 98 52.060 53.133 -1.073 1
1 705 . 8 1 1 A 64 64 ASP CB C 98 39.500 40.213 -0.713 1
1 706 . 8 1 1 A 64 64 ASP N N 98 120.463 118.196 2.267 1
1 707 . 8 1 1 A 65 65 GLY H H 99 10.672 8.321 2.351 1
1 708 . 8 1 1 A 65 65 GLY HA2 H 99 3.910 4.074 -0.164 1
1 709 . 8 1 1 A 65 65 GLY HA3 H 99 4.320 4.369 -0.049 1
1 710 . 8 1 1 A 65 65 GLY CA C 99 45.160 46.268 -1.108 1
1 711 . 8 1 1 A 65 65 GLY N N 99 115.823 110.852 4.971 1
1 712 . 8 1 1 A 66 66 LEU H H 100 8.127 7.869 0.258 1
1 713 . 8 1 1 A 66 66 LEU HA H 100 5.150 4.938 0.212 1
1 723 . 8 1 1 A 66 66 LEU CA C 100 52.200 53.527 -1.327 1
1 724 . 8 1 1 A 66 66 LEU CB C 100 44.490 44.874 -0.384 1
1 728 . 8 1 1 A 66 66 LEU N N 100 123.135 121.950 1.185 1
1 729 . 8 1 1 A 67 67 LEU H H 101 8.729 9.067 -0.338 1
1 730 . 8 1 1 A 67 67 LEU HA H 101 5.810 5.082 0.728 1
1 740 . 8 1 1 A 67 67 LEU CA C 101 51.600 53.860 -2.260 1
1 741 . 8 1 1 A 67 67 LEU CB C 101 42.100 43.073 -0.973 1
1 745 . 8 1 1 A 67 67 LEU N N 101 121.189 123.839 -2.650 1
1 746 . 8 1 1 A 68 68 ASP H H 102 9.236 8.612 0.624 1
1 747 . 8 1 1 A 68 68 ASP HA H 102 5.620 4.933 0.687 1
1 750 . 8 1 1 A 68 68 ASP CA C 102 51.160 53.857 -2.697 1
1 751 . 8 1 1 A 68 68 ASP CB C 102 39.750 41.951 -2.201 1
1 752 . 8 1 1 A 68 68 ASP N N 102 124.386 125.028 -0.642 1
1 753 . 8 1 1 A 69 69 ASP H H 103 8.539 8.715 -0.176 1
1 754 . 8 1 1 A 69 69 ASP HA H 103 2.830 3.288 -0.458 1
1 757 . 8 1 1 A 69 69 ASP CA C 103 56.160 58.320 -2.160 1
1 758 . 8 1 1 A 69 69 ASP CB C 103 37.160 41.290 -4.130 1
1 759 . 8 1 1 A 69 69 ASP N N 103 117.423 122.586 -5.163 1
1 760 . 8 1 1 A 70 70 GLU H H 104 7.997 7.911 0.086 1
1 761 . 8 1 1 A 70 70 GLU HA H 104 4.075 4.256 -0.181 1
1 766 . 8 1 1 A 70 70 GLU CA C 104 58.950 59.429 -0.479 1
1 767 . 8 1 1 A 70 70 GLU CB C 104 29.134 28.952 0.182 1
1 769 . 8 1 1 A 70 70 GLU N N 104 124.895 118.522 6.373 1
1 770 . 8 1 1 A 71 71 GLU H H 105 8.742 8.160 0.582 1
1 771 . 8 1 1 A 71 71 GLU HA H 105 4.048 4.106 -0.058 1
1 776 . 8 1 1 A 71 71 GLU CA C 105 58.570 59.109 -0.539 1
1 777 . 8 1 1 A 71 71 GLU CB C 105 30.270 29.456 0.814 1
1 779 . 8 1 1 A 71 71 GLU N N 105 123.465 120.032 3.433 1
1 780 . 8 1 1 A 72 72 PHE H H 106 9.426 8.656 0.770 1
1 781 . 8 1 1 A 72 72 PHE HA H 106 4.260 4.195 0.065 1
1 789 . 8 1 1 A 72 72 PHE CA C 106 60.000 61.303 -1.303 1
1 790 . 8 1 1 A 72 72 PHE CB C 106 38.440 39.293 -0.853 1
1 796 . 8 1 1 A 72 72 PHE N N 106 120.806 121.913 -1.107 1
1 797 . 8 1 1 A 73 73 ALA H H 107 8.097 8.032 0.065 1
1 798 . 8 1 1 A 73 73 ALA HA H 107 3.790 3.964 -0.174 1
1 802 . 8 1 1 A 73 73 ALA CA C 107 54.010 54.989 -0.979 1
1 803 . 8 1 1 A 73 73 ALA CB C 107 16.691 18.578 -1.887 1
1 804 . 8 1 1 A 73 73 ALA N N 107 126.845 121.286 5.559 1
1 805 . 8 1 1 A 74 74 LEU H H 108 8.431 8.332 0.099 1
1 806 . 8 1 1 A 74 74 LEU HA H 108 4.065 3.941 0.124 1
1 816 . 8 1 1 A 74 74 LEU CA C 108 56.811 57.648 -0.837 1
1 817 . 8 1 1 A 74 74 LEU CB C 108 41.090 41.435 -0.345 1
1 821 . 8 1 1 A 74 74 LEU N N 108 121.250 120.396 0.854 1
1 822 . 8 1 1 A 75 75 ALA H H 109 8.663 8.357 0.306 1
1 823 . 8 1 1 A 75 75 ALA HA H 109 3.660 3.971 -0.311 1
1 827 . 8 1 1 A 75 75 ALA CA C 109 54.220 55.714 -1.494 1
1 828 . 8 1 1 A 75 75 ALA CB C 109 15.220 18.133 -2.913 1
1 829 . 8 1 1 A 75 75 ALA N N 109 122.981 120.936 2.045 1
1 830 . 8 1 1 A 76 76 ASN H H 110 7.249 7.794 -0.545 1
1 831 . 8 1 1 A 76 76 ASN HA H 110 3.800 4.138 -0.338 1
1 836 . 8 1 1 A 76 76 ASN CA C 110 55.500 55.791 -0.291 1
1 837 . 8 1 1 A 76 76 ASN CB C 110 36.610 36.754 -0.144 1
1 838 . 8 1 1 A 76 76 ASN N N 110 115.681 116.100 -0.419 1
1 840 . 8 1 1 A 77 77 HIS H H 111 8.345 7.706 0.639 1
1 841 . 8 1 1 A 77 77 HIS HA H 111 4.092 4.272 -0.180 1
1 846 . 8 1 1 A 77 77 HIS CA C 111 59.180 59.721 -0.541 1
1 847 . 8 1 1 A 77 77 HIS CB C 111 30.420 30.112 0.308 1
1 850 . 8 1 1 A 77 77 HIS N N 111 124.686 120.833 3.853 1
1 851 . 8 1 1 A 78 78 LEU H H 112 8.290 8.180 0.110 1
1 852 . 8 1 1 A 78 78 LEU HA H 112 3.830 3.938 -0.108 1
1 862 . 8 1 1 A 78 78 LEU CA C 112 56.115 57.846 -1.731 1
1 863 . 8 1 1 A 78 78 LEU CB C 112 41.000 41.413 -0.413 1
1 867 . 8 1 1 A 78 78 LEU N N 112 119.085 119.512 -0.427 1
1 868 . 8 1 1 A 79 79 ILE H H 113 7.792 8.341 -0.549 1
1 869 . 8 1 1 A 79 79 ILE HA H 113 3.290 3.474 -0.184 1
1 879 . 8 1 1 A 79 79 ILE CA C 113 65.020 65.819 -0.799 1
1 880 . 8 1 1 A 79 79 ILE CB C 113 36.730 37.998 -1.268 1
1 884 . 8 1 1 A 79 79 ILE N N 113 121.304 119.874 1.430 1
1 885 . 8 1 1 A 80 80 LYS H H 114 7.537 8.151 -0.614 1
1 886 . 8 1 1 A 80 80 LYS HA H 114 3.830 4.073 -0.243 1
1 895 . 8 1 1 A 80 80 LYS CA C 114 58.970 59.123 -0.153 1
1 896 . 8 1 1 A 80 80 LYS CB C 114 30.470 31.888 -1.418 1
1 900 . 8 1 1 A 80 80 LYS N N 114 122.150 120.265 1.885 1
1 901 . 8 1 1 A 81 81 VAL H H 115 8.110 7.932 0.178 1
1 902 . 8 1 1 A 81 81 VAL HA H 115 3.740 3.914 -0.174 1
1 910 . 8 1 1 A 81 81 VAL CA C 115 64.500 65.301 -0.801 1
1 911 . 8 1 1 A 81 81 VAL CB C 115 30.050 31.406 -1.356 1
1 914 . 8 1 1 A 81 81 VAL N N 115 118.999 119.066 -0.067 1
1 915 . 8 1 1 A 82 82 LYS H H 116 7.853 8.035 -0.182 1
1 916 . 8 1 1 A 82 82 LYS HA H 116 4.550 4.216 0.334 1
1 925 . 8 1 1 A 82 82 LYS CA C 116 56.000 59.359 -3.359 1
1 926 . 8 1 1 A 82 82 LYS CB C 116 30.340 32.157 -1.817 1
1 930 . 8 1 1 A 82 82 LYS N N 116 123.030 121.370 1.660 1
1 931 . 8 1 1 A 83 83 LEU H H 117 8.959 8.095 0.864 1
1 932 . 8 1 1 A 83 83 LEU HA H 117 4.090 4.040 0.050 1
1 942 . 8 1 1 A 83 83 LEU CA C 117 56.620 57.825 -1.205 1
1 943 . 8 1 1 A 83 83 LEU CB C 117 40.361 42.017 -1.656 1
1 947 . 8 1 1 A 83 83 LEU N N 117 125.378 121.316 4.062 1
1 948 . 8 1 1 A 84 84 GLU H H 118 7.817 8.085 -0.268 1
1 949 . 8 1 1 A 84 84 GLU HA H 118 4.164 4.286 -0.122 1
1 954 . 8 1 1 A 84 84 GLU CA C 118 55.600 56.200 -0.600 1
1 955 . 8 1 1 A 84 84 GLU CB C 118 28.600 29.835 -1.235 1
1 957 . 8 1 1 A 84 84 GLU N N 118 119.766 115.731 4.035 1
1 958 . 8 1 1 A 85 85 GLY H H 119 7.862 7.908 -0.046 1
1 959 . 8 1 1 A 85 85 GLY HA2 H 119 3.650 3.801 -0.151 1
1 960 . 8 1 1 A 85 85 GLY HA3 H 119 4.140 3.878 0.262 1
1 961 . 8 1 1 A 85 85 GLY CA C 119 43.690 45.427 -1.737 1
1 962 . 8 1 1 A 85 85 GLY N N 119 107.902 107.683 0.219 1
1 963 . 8 1 1 A 86 86 HIS H H 120 7.714 7.696 0.018 1
1 964 . 8 1 1 A 86 86 HIS HA H 120 4.680 4.545 0.135 1
1 969 . 8 1 1 A 86 86 HIS CA C 120 53.900 56.123 -2.223 1
1 970 . 8 1 1 A 86 86 HIS CB C 120 29.390 30.983 -1.593 1
1 972 . 8 1 1 A 86 86 HIS N N 120 122.124 117.832 4.292 1
1 973 . 8 1 1 A 87 87 GLU H H 121 8.491 8.916 -0.425 1
1 974 . 8 1 1 A 87 87 GLU HA H 121 4.310 4.511 -0.201 1
1 979 . 8 1 1 A 87 87 GLU CA C 121 54.000 56.153 -2.153 1
1 980 . 8 1 1 A 87 87 GLU CB C 121 29.120 29.866 -0.746 1
1 982 . 8 1 1 A 87 87 GLU N N 121 121.826 124.441 -2.615 1
1 983 . 8 1 1 A 88 88 LEU H H 122 8.672 8.509 0.163 1
1 984 . 8 1 1 A 88 88 LEU HA H 122 4.420 4.477 -0.057 1
1 994 . 8 1 1 A 88 88 LEU CA C 122 50.777 53.368 -2.591 1
1 995 . 8 1 1 A 88 88 LEU CB C 122 39.986 41.999 -2.013 1
1 999 . 8 1 1 A 88 88 LEU N N 122 125.316 124.747 0.569 1
1 1000 . 8 1 1 A 89 89 PRO HA H 123 4.570 4.478 0.092 1
1 1007 . 8 1 1 A 89 89 PRO CA C 123 60.690 63.705 -3.015 1
1 1008 . 8 1 1 A 89 89 PRO CB C 123 30.320 32.090 -1.770 1
1 1011 . 8 1 1 A 90 90 ALA H H 124 8.451 7.992 0.459 1
1 1012 . 8 1 1 A 90 90 ALA HA H 124 4.080 3.971 0.109 1
1 1016 . 8 1 1 A 90 90 ALA CA C 124 52.700 53.389 -0.689 1
1 1017 . 8 1 1 A 90 90 ALA CB C 124 17.760 17.539 0.221 1
1 1018 . 8 1 1 A 90 90 ALA N N 124 123.603 120.071 3.532 1
1 1019 . 8 1 1 A 91 91 ASP H H 125 7.473 7.801 -0.328 1
1 1020 . 8 1 1 A 91 91 ASP HA H 125 4.640 5.105 -0.465 1
1 1023 . 8 1 1 A 91 91 ASP CA C 125 50.340 52.462 -2.122 1
1 1024 . 8 1 1 A 91 91 ASP CB C 125 42.620 44.453 -1.833 1
1 1025 . 8 1 1 A 91 91 ASP N N 125 115.317 116.314 -0.997 1
1 1026 . 8 1 1 A 92 92 LEU H H 126 8.883 8.815 0.068 1
1 1027 . 8 1 1 A 92 92 LEU HA H 126 4.200 4.930 -0.730 1
1 1037 . 8 1 1 A 92 92 LEU CA C 126 51.930 51.525 0.405 1
1 1038 . 8 1 1 A 92 92 LEU CB C 126 41.032 43.743 -2.711 1
1 1042 . 8 1 1 A 92 92 LEU N N 126 125.329 123.109 2.220 1
1 1043 . 8 1 1 A 93 93 PRO HA H 127 4.870 4.524 0.346 1
1 1050 . 8 1 1 A 93 93 PRO CA C 127 59.820 61.778 -1.958 1
1 1051 . 8 1 1 A 93 93 PRO CB C 127 29.800 32.454 -2.654 1
1 1054 . 8 1 1 A 94 94 PRO HA H 128 4.230 4.153 0.077 1
1 1061 . 8 1 1 A 94 94 PRO CA C 128 64.560 65.207 -0.647 1
1 1062 . 8 1 1 A 94 94 PRO CB C 128 30.900 31.953 -1.053 1
1 1065 . 8 1 1 A 95 95 HIS H H 129 7.922 8.195 -0.273 1
1 1066 . 8 1 1 A 95 95 HIS HA H 129 4.650 4.523 0.127 1
1 1071 . 8 1 1 A 95 95 HIS CA C 129 56.810 56.356 0.454 1
1 1072 . 8 1 1 A 95 95 HIS CB C 129 28.100 29.720 -1.620 1
1 1075 . 8 1 1 A 95 95 HIS N N 129 112.757 114.233 -1.476 1
1 1076 . 8 1 1 A 96 96 LEU H H 130 7.709 7.897 -0.188 1
1 1077 . 8 1 1 A 96 96 LEU HA H 130 4.646 4.513 0.133 1
1 1087 . 8 1 1 A 96 96 LEU CA C 130 53.100 54.282 -1.182 1
1 1088 . 8 1 1 A 96 96 LEU CB C 130 42.210 42.918 -0.708 1
1 1092 . 8 1 1 A 96 96 LEU N N 130 121.128 119.255 1.873 1
1 1093 . 8 1 1 A 97 97 VAL H H 131 7.184 7.343 -0.159 1
1 1094 . 8 1 1 A 97 97 VAL HA H 131 3.730 4.124 -0.394 1
1 1102 . 8 1 1 A 97 97 VAL CA C 131 60.520 61.198 -0.678 1
1 1103 . 8 1 1 A 97 97 VAL CB C 131 31.310 32.323 -1.013 1
1 1106 . 8 1 1 A 97 97 VAL N N 131 125.572 121.648 3.924 1
1 1107 . 8 1 1 A 98 98 PRO HA H 132 2.700 3.731 -1.031 1
1 1114 . 8 1 1 A 98 98 PRO CA C 132 59.400 61.532 -2.132 1
1 1115 . 8 1 1 A 98 98 PRO CB C 132 30.250 32.126 -1.876 1
1 1118 . 8 1 1 A 99 99 PRO HA H 133 3.620 4.172 -0.552 1
1 1125 . 8 1 1 A 99 99 PRO CA C 133 64.760 64.178 0.582 1
1 1126 . 8 1 1 A 99 99 PRO CB C 133 30.770 31.501 -0.731 1
1 1129 . 8 1 1 A 100 100 SER H H 134 9.195 8.158 1.037 1
1 1130 . 8 1 1 A 100 100 SER HA H 134 4.150 4.233 -0.083 1
1 1133 . 8 1 1 A 100 100 SER CA C 134 59.660 60.602 -0.942 1
1 1134 . 8 1 1 A 100 100 SER CB C 134 61.320 63.035 -1.715 1
1 1135 . 8 1 1 A 100 100 SER N N 134 115.005 113.432 1.573 1
1 1136 . 8 1 1 A 101 101 LYS H H 135 7.867 7.461 0.406 1
1 1137 . 8 1 1 A 101 101 LYS HA H 135 4.480 4.328 0.152 1
1 1146 . 8 1 1 A 101 101 LYS CA C 135 52.490 56.444 -3.954 1
1 1147 . 8 1 1 A 101 101 LYS CB C 135 30.600 32.641 -2.041 1
1 1151 . 8 1 1 A 101 101 LYS N N 135 121.053 120.536 0.517 1
1 1152 . 8 1 1 A 102 102 ARG H H 136 7.077 7.575 -0.498 1
1 1153 . 8 1 1 A 102 102 ARG HA H 136 4.110 4.300 -0.190 1
1 1164 . 8 1 1 A 102 102 ARG CA C 136 55.440 55.854 -0.414 1
1 1165 . 8 1 1 A 102 102 ARG CB C 136 29.100 31.090 -1.990 1
1 1168 . 8 1 1 A 102 102 ARG N N 136 121.939 120.499 1.440 1
1 1169 . 8 1 1 A 103 103 ARG H H 137 8.289 8.846 -0.557 1
1 1170 . 8 1 1 A 103 103 ARG HA H 137 4.300 4.789 -0.489 1
1 1181 . 8 1 1 A 103 103 ARG CA C 137 54.100 55.799 -1.699 1
1 1182 . 8 1 1 A 103 103 ARG CB C 137 29.700 32.064 -2.364 1
1 1185 . 8 1 1 A 103 103 ARG N N 137 123.504 125.100 -1.596 1
1 1186 . 8 1 1 A 104 104 HIS H H 138 8.370 8.850 -0.480 1
1 1187 . 8 1 1 A 104 104 HIS HA H 138 4.678 5.167 -0.489 1
1 1192 . 8 1 1 A 104 104 HIS CA C 138 54.110 53.788 0.322 1
1 1193 . 8 1 1 A 104 104 HIS CB C 138 28.730 31.985 -3.255 1
1 1 . 9 1 1 A 7 7 ASP H H 41 8.479 8.892 -0.413 1
1 2 . 9 1 1 A 7 7 ASP HA H 41 4.650 5.188 -0.538 1
1 5 . 9 1 1 A 7 7 ASP CA C 41 53.120 53.073 0.047 1
1 6 . 9 1 1 A 7 7 ASP CB C 41 39.840 41.845 -2.005 1
1 7 . 9 1 1 A 7 7 ASP N N 41 124.447 124.903 -0.456 1
1 8 . 9 1 1 A 8 8 VAL H H 42 7.916 9.087 -1.171 1
1 9 . 9 1 1 A 8 8 VAL HA H 42 4.150 4.523 -0.373 1
1 17 . 9 1 1 A 8 8 VAL CA C 42 60.500 61.998 -1.498 1
1 18 . 9 1 1 A 8 8 VAL CB C 42 31.540 31.021 0.519 1
1 21 . 9 1 1 A 8 8 VAL N N 42 120.853 125.015 -4.162 1
1 22 . 9 1 1 A 9 9 GLU H H 43 8.476 8.513 -0.037 1
1 23 . 9 1 1 A 9 9 GLU HA H 43 4.300 5.126 -0.826 1
1 28 . 9 1 1 A 9 9 GLU CA C 43 55.400 55.182 0.218 1
1 29 . 9 1 1 A 9 9 GLU CB C 43 29.120 31.005 -1.885 1
1 31 . 9 1 1 A 9 9 GLU N N 43 127.650 126.591 1.059 1
1 32 . 9 1 1 A 10 10 TRP H H 44 8.839 8.922 -0.083 1
1 33 . 9 1 1 A 10 10 TRP HA H 44 5.240 4.794 0.446 1
1 42 . 9 1 1 A 10 10 TRP CA C 44 54.290 55.971 -1.681 1
1 43 . 9 1 1 A 10 10 TRP CB C 44 27.330 29.381 -2.051 1
1 49 . 9 1 1 A 10 10 TRP N N 44 126.406 128.025 -1.619 1
1 50 . 9 1 1 A 11 11 VAL H H 45 9.230 8.414 0.816 1
1 51 . 9 1 1 A 11 11 VAL HA H 45 3.900 3.718 0.182 1
1 59 . 9 1 1 A 11 11 VAL CA C 45 63.500 64.739 -1.239 1
1 60 . 9 1 1 A 11 11 VAL CB C 45 30.420 31.267 -0.847 1
1 63 . 9 1 1 A 11 11 VAL N N 45 131.353 125.818 5.535 1
1 64 . 9 1 1 A 12 12 VAL H H 46 5.020 6.675 -1.655 1
1 65 . 9 1 1 A 12 12 VAL HA H 46 3.050 3.731 -0.681 1
1 73 . 9 1 1 A 12 12 VAL CA C 46 60.540 64.068 -3.528 1
1 74 . 9 1 1 A 12 12 VAL CB C 46 29.280 31.143 -1.863 1
1 77 . 9 1 1 A 13 13 GLY H H 47 7.330 8.219 -0.889 1
1 78 . 9 1 1 A 13 13 GLY HA2 H 47 3.600 3.840 -0.240 1
1 79 . 9 1 1 A 13 13 GLY HA3 H 47 4.194 3.929 0.265 1
1 80 . 9 1 1 A 13 13 GLY CA C 47 46.400 46.802 -0.402 1
1 81 . 9 1 1 A 14 14 LYS H H 48 7.581 7.769 -0.188 1
1 82 . 9 1 1 A 14 14 LYS HA H 48 4.077 4.064 0.013 1
1 91 . 9 1 1 A 14 14 LYS CA C 48 57.420 58.880 -1.460 1
1 92 . 9 1 1 A 14 14 LYS CB C 48 30.490 32.387 -1.897 1
1 96 . 9 1 1 A 14 14 LYS N N 48 121.084 120.540 0.544 1
1 97 . 9 1 1 A 15 15 ASP H H 49 7.309 7.253 0.056 1
1 98 . 9 1 1 A 15 15 ASP HA H 49 4.770 4.862 -0.092 1
1 101 . 9 1 1 A 15 15 ASP CA C 49 52.880 53.373 -0.493 1
1 102 . 9 1 1 A 15 15 ASP CB C 49 41.910 41.499 0.411 1
1 103 . 9 1 1 A 15 15 ASP N N 49 118.181 116.052 2.129 1
1 104 . 9 1 1 A 16 16 LYS H H 50 7.506 7.635 -0.129 1
1 105 . 9 1 1 A 16 16 LYS HA H 50 4.068 4.108 -0.040 1
1 114 . 9 1 1 A 16 16 LYS CA C 50 60.180 61.091 -0.911 1
1 115 . 9 1 1 A 16 16 LYS CB C 50 30.193 31.957 -1.764 1
1 119 . 9 1 1 A 16 16 LYS N N 50 123.633 120.520 3.113 1
1 120 . 9 1 1 A 17 17 PRO HA H 51 4.440 4.359 0.081 1
1 127 . 9 1 1 A 17 17 PRO CA C 51 65.660 65.525 0.135 1
1 128 . 9 1 1 A 17 17 PRO CB C 51 29.600 30.923 -1.323 1
1 131 . 9 1 1 A 18 18 THR H H 52 7.280 7.559 -0.279 1
1 132 . 9 1 1 A 18 18 THR HA H 52 3.980 4.033 -0.053 1
1 137 . 9 1 1 A 18 18 THR CA C 52 64.440 65.246 -0.806 1
1 138 . 9 1 1 A 18 18 THR CB C 52 67.210 68.121 -0.911 1
1 140 . 9 1 1 A 18 18 THR N N 52 115.095 111.495 3.600 1
1 141 . 9 1 1 A 19 19 TYR H H 53 7.083 7.343 -0.260 1
1 142 . 9 1 1 A 19 19 TYR HA H 53 4.728 4.430 0.298 1
1 149 . 9 1 1 A 19 19 TYR CA C 53 57.110 62.041 -4.931 1
1 150 . 9 1 1 A 19 19 TYR CB C 53 35.170 37.177 -2.007 1
1 155 . 9 1 1 A 19 19 TYR N N 53 125.380 119.579 5.801 1
1 156 . 9 1 1 A 20 20 ASP H H 54 9.588 8.901 0.687 1
1 157 . 9 1 1 A 20 20 ASP HA H 54 4.520 4.590 -0.070 1
1 160 . 9 1 1 A 20 20 ASP CA C 54 55.515 57.859 -2.344 1
1 161 . 9 1 1 A 20 20 ASP CB C 54 38.740 41.352 -2.612 1
1 162 . 9 1 1 A 20 20 ASP N N 54 124.548 122.034 2.514 1
1 163 . 9 1 1 A 21 21 GLU H H 55 7.309 8.318 -1.009 1
1 164 . 9 1 1 A 21 21 GLU HA H 55 4.140 4.249 -0.109 1
1 169 . 9 1 1 A 21 21 GLU CA C 55 58.100 59.263 -1.163 1
1 170 . 9 1 1 A 21 21 GLU CB C 55 28.400 29.647 -1.247 1
1 172 . 9 1 1 A 21 21 GLU N N 55 118.181 119.428 -1.247 1
1 173 . 9 1 1 A 22 22 ILE H H 56 7.249 7.898 -0.649 1
1 174 . 9 1 1 A 22 22 ILE HA H 56 3.946 4.089 -0.143 1
1 184 . 9 1 1 A 22 22 ILE CA C 56 62.400 65.421 -3.021 1
1 185 . 9 1 1 A 22 22 ILE CB C 56 37.597 37.923 -0.326 1
1 189 . 9 1 1 A 22 22 ILE N N 56 118.978 120.585 -1.607 1
1 190 . 9 1 1 A 23 23 PHE H H 57 9.117 8.822 0.295 1
1 191 . 9 1 1 A 23 23 PHE HA H 57 3.100 4.002 -0.902 1
1 199 . 9 1 1 A 23 23 PHE CA C 57 61.330 61.610 -0.280 1
1 200 . 9 1 1 A 23 23 PHE CB C 57 38.250 39.180 -0.930 1
1 206 . 9 1 1 A 23 23 PHE N N 57 127.639 121.644 5.995 1
1 207 . 9 1 1 A 24 24 TYR H H 58 7.903 8.516 -0.613 1
1 208 . 9 1 1 A 24 24 TYR HA H 58 4.000 4.489 -0.489 1
1 215 . 9 1 1 A 24 24 TYR CA C 58 60.480 61.435 -0.955 1
1 216 . 9 1 1 A 24 24 TYR CB C 58 36.086 38.288 -2.202 1
1 221 . 9 1 1 A 24 24 TYR N N 58 112.757 116.378 -3.621 1
1 222 . 9 1 1 A 25 25 THR H H 59 8.081 7.758 0.323 1
1 223 . 9 1 1 A 25 25 THR HA H 59 4.650 4.394 0.256 1
1 229 . 9 1 1 A 25 25 THR CA C 59 61.770 63.530 -1.760 1
1 230 . 9 1 1 A 25 25 THR CB C 59 68.700 69.229 -0.529 1
1 232 . 9 1 1 A 25 25 THR N N 59 112.676 113.123 -0.447 1
1 233 . 9 1 1 A 26 26 LEU H H 60 7.373 7.159 0.214 1
1 234 . 9 1 1 A 26 26 LEU HA H 60 4.470 4.378 0.092 1
1 244 . 9 1 1 A 26 26 LEU CA C 60 52.330 54.096 -1.766 1
1 245 . 9 1 1 A 26 26 LEU CB C 60 38.700 41.917 -3.217 1
1 249 . 9 1 1 A 26 26 LEU N N 60 125.808 120.769 5.039 1
1 250 . 9 1 1 A 27 27 SER H H 61 7.860 7.581 0.279 1
1 251 . 9 1 1 A 27 27 SER HA H 61 3.990 4.199 -0.209 1
1 254 . 9 1 1 A 27 27 SER CA C 61 56.300 58.525 -2.225 1
1 255 . 9 1 1 A 27 27 SER CB C 61 60.230 61.859 -1.629 1
1 256 . 9 1 1 A 27 27 SER N N 61 111.582 113.155 -1.573 1
1 257 . 9 1 1 A 28 28 PRO HA H 62 4.210 4.629 -0.419 1
1 264 . 9 1 1 A 28 28 PRO CA C 62 61.600 62.263 -0.663 1
1 265 . 9 1 1 A 28 28 PRO CB C 62 29.890 32.072 -2.182 1
1 268 . 9 1 1 A 29 29 VAL H H 63 8.750 8.387 0.363 1
1 269 . 9 1 1 A 29 29 VAL HA H 63 4.180 4.522 -0.342 1
1 277 . 9 1 1 A 29 29 VAL CA C 63 60.660 60.122 0.538 1
1 278 . 9 1 1 A 29 29 VAL CB C 63 32.878 33.897 -1.019 1
1 281 . 9 1 1 A 29 29 VAL N N 63 124.299 116.797 7.502 1
1 282 . 9 1 1 A 30 30 ASN H H 64 9.713 9.511 0.202 1
1 283 . 9 1 1 A 30 30 ASN HA H 64 4.420 4.457 -0.037 1
1 288 . 9 1 1 A 30 30 ASN CA C 64 52.940 54.487 -1.547 1
1 289 . 9 1 1 A 30 30 ASN CB C 64 36.300 36.956 -0.656 1
1 290 . 9 1 1 A 30 30 ASN N N 64 129.729 121.392 8.337 1
1 292 . 9 1 1 A 31 31 GLY H H 65 8.862 8.583 0.279 1
1 293 . 9 1 1 A 31 31 GLY HA2 H 65 3.760 3.885 -0.125 1
1 294 . 9 1 1 A 31 31 GLY HA3 H 65 4.260 3.902 0.358 1
1 295 . 9 1 1 A 31 31 GLY CA C 65 44.260 45.520 -1.260 1
1 296 . 9 1 1 A 31 31 GLY N N 65 130.591 104.691 25.900 1
1 297 . 9 1 1 A 32 32 LYS H H 66 7.501 7.860 -0.359 1
1 298 . 9 1 1 A 32 32 LYS HA H 66 5.420 5.123 0.297 1
1 307 . 9 1 1 A 32 32 LYS CA C 66 53.900 54.256 -0.356 1
1 308 . 9 1 1 A 32 32 LYS CB C 66 36.200 36.004 0.196 1
1 312 . 9 1 1 A 32 32 LYS N N 66 118.738 119.211 -0.473 1
1 313 . 9 1 1 A 33 33 ILE H H 67 9.230 8.628 0.602 1
1 314 . 9 1 1 A 33 33 ILE HA H 67 5.030 4.590 0.440 1
1 324 . 9 1 1 A 33 33 ILE CA C 67 57.470 59.517 -2.047 1
1 325 . 9 1 1 A 33 33 ILE CB C 67 39.880 40.122 -0.242 1
1 329 . 9 1 1 A 33 33 ILE N N 67 118.166 118.788 -0.622 1
1 330 . 9 1 1 A 34 34 THR H H 68 8.242 8.663 -0.421 1
1 331 . 9 1 1 A 34 34 THR HA H 68 4.560 4.595 -0.035 1
1 337 . 9 1 1 A 34 34 THR CA C 68 58.970 60.764 -1.794 1
1 338 . 9 1 1 A 34 34 THR CB C 68 69.910 70.718 -0.808 1
1 340 . 9 1 1 A 34 34 THR N N 68 111.971 115.642 -3.671 1
1 341 . 9 1 1 A 35 35 GLY H H 69 8.987 8.899 0.088 1
1 342 . 9 1 1 A 35 35 GLY HA2 H 69 3.530 3.739 -0.209 1
1 343 . 9 1 1 A 35 35 GLY HA3 H 69 3.830 4.094 -0.264 1
1 344 . 9 1 1 A 35 35 GLY CA C 69 46.900 46.908 -0.008 1
1 345 . 9 1 1 A 35 35 GLY N N 69 110.332 109.813 0.519 1
1 346 . 9 1 1 A 36 36 ALA H H 70 8.289 7.913 0.376 1
1 347 . 9 1 1 A 36 36 ALA HA H 70 3.890 3.948 -0.058 1
1 351 . 9 1 1 A 36 36 ALA CA C 70 53.830 54.873 -1.043 1
1 352 . 9 1 1 A 36 36 ALA CB C 70 16.900 18.675 -1.775 1
1 353 . 9 1 1 A 36 36 ALA N N 70 123.588 123.753 -0.165 1
1 354 . 9 1 1 A 37 37 ASN H H 71 7.550 8.206 -0.656 1
1 355 . 9 1 1 A 37 37 ASN HA H 71 4.690 4.411 0.279 1
1 360 . 9 1 1 A 37 37 ASN CA C 71 54.000 55.613 -1.613 1
1 361 . 9 1 1 A 37 37 ASN CB C 71 36.300 37.194 -0.894 1
1 362 . 9 1 1 A 37 37 ASN N N 71 118.594 116.174 2.420 1
1 364 . 9 1 1 A 38 38 ALA H H 72 8.825 8.206 0.619 1
1 365 . 9 1 1 A 38 38 ALA HA H 72 4.110 3.995 0.115 1
1 369 . 9 1 1 A 38 38 ALA CA C 72 54.340 55.685 -1.345 1
1 370 . 9 1 1 A 38 38 ALA CB C 72 17.970 18.557 -0.587 1
1 371 . 9 1 1 A 38 38 ALA N N 72 123.885 121.896 1.989 1
1 372 . 9 1 1 A 39 39 LYS H H 73 8.798 7.789 1.009 1
1 373 . 9 1 1 A 39 39 LYS HA H 73 3.940 4.019 -0.079 1
1 382 . 9 1 1 A 39 39 LYS CA C 73 59.000 59.525 -0.525 1
1 383 . 9 1 1 A 39 39 LYS CB C 73 30.880 31.975 -1.095 1
1 387 . 9 1 1 A 39 39 LYS N N 73 120.109 118.569 1.540 1
1 388 . 9 1 1 A 40 40 LYS H H 74 7.295 7.788 -0.493 1
1 389 . 9 1 1 A 40 40 LYS HA H 74 3.990 3.957 0.033 1
1 398 . 9 1 1 A 40 40 LYS CA C 74 58.240 60.212 -1.972 1
1 399 . 9 1 1 A 40 40 LYS CB C 74 30.900 32.179 -1.279 1
1 403 . 9 1 1 A 40 40 LYS N N 74 118.573 118.064 0.509 1
1 404 . 9 1 1 A 41 41 GLU H H 75 7.111 7.998 -0.887 1
1 405 . 9 1 1 A 41 41 GLU HA H 75 4.450 4.214 0.236 1
1 410 . 9 1 1 A 41 41 GLU CA C 75 56.260 59.368 -3.108 1
1 411 . 9 1 1 A 41 41 GLU CB C 75 28.900 29.267 -0.367 1
1 413 . 9 1 1 A 41 41 GLU N N 75 117.503 119.474 -1.971 1
1 414 . 9 1 1 A 42 42 MET H H 76 8.672 8.313 0.359 1
1 415 . 9 1 1 A 42 42 MET HA H 76 4.020 4.220 -0.200 1
1 423 . 9 1 1 A 42 42 MET CA C 76 58.980 58.667 0.313 1
1 424 . 9 1 1 A 42 42 MET CB C 76 33.270 31.883 1.387 1
1 427 . 9 1 1 A 42 42 MET N N 76 121.435 118.982 2.453 1
1 428 . 9 1 1 A 43 43 VAL H H 77 8.703 8.075 0.628 1
1 429 . 9 1 1 A 43 43 VAL HA H 77 4.070 3.922 0.148 1
1 437 . 9 1 1 A 43 43 VAL CA C 77 63.490 65.351 -1.861 1
1 438 . 9 1 1 A 43 43 VAL CB C 77 30.570 31.383 -0.813 1
1 441 . 9 1 1 A 43 43 VAL N N 77 117.135 115.270 1.865 1
1 442 . 9 1 1 A 44 44 LYS H H 78 7.475 7.863 -0.388 1
1 443 . 9 1 1 A 44 44 LYS HA H 78 4.130 4.164 -0.034 1
1 452 . 9 1 1 A 44 44 LYS CA C 78 57.760 59.531 -1.771 1
1 453 . 9 1 1 A 44 44 LYS CB C 78 30.990 32.022 -1.032 1
1 457 . 9 1 1 A 44 44 LYS N N 78 124.308 122.231 2.077 1
1 458 . 9 1 1 A 45 45 SER H H 79 7.534 7.542 -0.008 1
1 459 . 9 1 1 A 45 45 SER HA H 79 4.080 4.461 -0.381 1
1 462 . 9 1 1 A 45 45 SER CA C 79 59.440 59.785 -0.345 1
1 463 . 9 1 1 A 45 45 SER CB C 79 64.580 63.466 1.114 1
1 464 . 9 1 1 A 45 45 SER N N 79 114.575 114.345 0.230 1
1 465 . 9 1 1 A 46 46 LYS H H 80 7.822 7.614 0.208 1
1 466 . 9 1 1 A 46 46 LYS HA H 80 3.940 3.916 0.024 1
1 475 . 9 1 1 A 46 46 LYS CA C 80 57.020 57.611 -0.591 1
1 476 . 9 1 1 A 46 46 LYS CB C 80 27.840 29.004 -1.164 1
1 480 . 9 1 1 A 46 46 LYS N N 80 114.855 117.863 -3.008 1
1 481 . 9 1 1 A 47 47 LEU H H 81 7.486 7.922 -0.436 1
1 482 . 9 1 1 A 47 47 LEU HA H 81 4.490 4.524 -0.034 1
1 492 . 9 1 1 A 47 47 LEU CA C 81 52.000 52.686 -0.686 1
1 493 . 9 1 1 A 47 47 LEU CB C 81 40.400 41.281 -0.881 1
1 497 . 9 1 1 A 47 47 LEU N N 81 122.848 120.018 2.830 1
1 498 . 9 1 1 A 48 48 PRO HA H 82 4.520 4.572 -0.052 1
1 505 . 9 1 1 A 48 48 PRO CA C 82 60.910 62.834 -1.924 1
1 506 . 9 1 1 A 48 48 PRO CB C 82 31.550 32.818 -1.268 1
1 509 . 9 1 1 A 49 49 ASN H H 83 7.580 9.039 -1.459 1
1 510 . 9 1 1 A 49 49 ASN HA H 83 4.270 4.452 -0.182 1
1 515 . 9 1 1 A 49 49 ASN CA C 83 56.000 56.103 -0.103 1
1 516 . 9 1 1 A 49 49 ASN CB C 83 36.900 38.444 -1.544 1
1 518 . 9 1 1 A 50 50 THR H H 84 7.260 8.111 -0.851 1
1 519 . 9 1 1 A 50 50 THR HA H 84 4.020 3.920 0.100 1
1 524 . 9 1 1 A 50 50 THR CA C 84 63.474 67.214 -3.740 1
1 525 . 9 1 1 A 50 50 THR CB C 84 66.850 68.538 -1.688 1
1 527 . 9 1 1 A 51 51 VAL H H 85 6.887 8.173 -1.286 1
1 528 . 9 1 1 A 51 51 VAL HA H 85 3.660 3.668 -0.008 1
1 536 . 9 1 1 A 51 51 VAL CA C 85 64.300 66.888 -2.588 1
1 537 . 9 1 1 A 51 51 VAL CB C 85 30.500 31.554 -1.054 1
1 540 . 9 1 1 A 51 51 VAL N N 85 125.031 122.148 2.883 1
1 541 . 9 1 1 A 52 52 LEU H H 86 8.006 8.431 -0.425 1
1 542 . 9 1 1 A 52 52 LEU HA H 86 3.710 4.066 -0.356 1
1 552 . 9 1 1 A 52 52 LEU CA C 86 56.600 58.527 -1.927 1
1 553 . 9 1 1 A 52 52 LEU CB C 86 38.940 41.794 -2.854 1
1 557 . 9 1 1 A 52 52 LEU N N 86 121.391 120.392 0.999 1
1 558 . 9 1 1 A 53 53 GLY H H 87 8.438 8.442 -0.004 1
1 559 . 9 1 1 A 53 53 GLY HA2 H 87 3.850 3.778 0.072 1
1 560 . 9 1 1 A 53 53 GLY HA3 H 87 3.990 3.805 0.185 1
1 561 . 9 1 1 A 53 53 GLY CA C 87 46.200 47.144 -0.944 1
1 562 . 9 1 1 A 53 53 GLY N N 87 108.191 106.043 2.148 1
1 563 . 9 1 1 A 54 54 LYS H H 88 7.300 7.891 -0.591 1
1 564 . 9 1 1 A 54 54 LYS HA H 88 4.130 4.036 0.094 1
1 573 . 9 1 1 A 54 54 LYS CA C 88 57.890 59.464 -1.574 1
1 574 . 9 1 1 A 54 54 LYS CB C 88 31.000 32.339 -1.339 1
1 578 . 9 1 1 A 54 54 LYS N N 88 125.192 121.951 3.241 1
1 579 . 9 1 1 A 55 55 ILE H H 89 8.055 8.458 -0.403 1
1 580 . 9 1 1 A 55 55 ILE HA H 89 3.476 3.722 -0.246 1
1 590 . 9 1 1 A 55 55 ILE CA C 89 65.360 65.554 -0.194 1
1 591 . 9 1 1 A 55 55 ILE CB C 89 36.300 38.108 -1.808 1
1 595 . 9 1 1 A 55 55 ILE N N 89 122.309 120.374 1.935 1
1 596 . 9 1 1 A 56 56 TRP H H 90 8.749 8.517 0.232 1
1 597 . 9 1 1 A 56 56 TRP HA H 90 3.880 4.168 -0.288 1
1 606 . 9 1 1 A 56 56 TRP CA C 90 60.260 60.704 -0.444 1
1 607 . 9 1 1 A 56 56 TRP CB C 90 27.660 29.736 -2.076 1
1 613 . 9 1 1 A 56 56 TRP N N 90 122.116 121.485 0.631 1
1 615 . 9 1 1 A 57 57 LYS H H 91 7.581 8.289 -0.708 1
1 616 . 9 1 1 A 57 57 LYS HA H 91 3.910 4.287 -0.377 1
1 625 . 9 1 1 A 57 57 LYS CA C 91 57.790 58.433 -0.643 1
1 626 . 9 1 1 A 57 57 LYS CB C 91 31.300 32.485 -1.185 1
1 630 . 9 1 1 A 57 57 LYS N N 91 116.341 118.333 -1.992 1
1 631 . 9 1 1 A 58 58 LEU H H 92 7.580 7.478 0.102 1
1 632 . 9 1 1 A 58 58 LEU HA H 92 4.000 4.210 -0.210 1
1 642 . 9 1 1 A 58 58 LEU CA C 92 55.780 56.969 -1.189 1
1 643 . 9 1 1 A 58 58 LEU CB C 92 42.570 42.402 0.168 1
1 647 . 9 1 1 A 58 58 LEU N N 92 119.793 118.067 1.726 1
1 648 . 9 1 1 A 59 59 ALA H H 93 8.157 7.900 0.257 1
1 649 . 9 1 1 A 59 59 ALA HA H 93 4.130 4.216 -0.086 1
1 653 . 9 1 1 A 59 59 ALA CA C 93 52.400 54.770 -2.370 1
1 654 . 9 1 1 A 59 59 ALA CB C 93 17.560 18.267 -0.707 1
1 655 . 9 1 1 A 59 59 ALA N N 93 120.126 120.877 -0.751 1
1 656 . 9 1 1 A 60 60 ASP H H 94 7.499 8.277 -0.778 1
1 657 . 9 1 1 A 60 60 ASP HA H 94 4.550 4.846 -0.296 1
1 660 . 9 1 1 A 60 60 ASP CA C 94 50.380 53.120 -2.740 1
1 661 . 9 1 1 A 60 60 ASP CB C 94 35.220 39.100 -3.880 1
1 662 . 9 1 1 A 60 60 ASP N N 94 115.431 117.510 -2.079 1
1 663 . 9 1 1 A 61 61 VAL H H 95 8.352 7.967 0.385 1
1 664 . 9 1 1 A 61 61 VAL HA H 95 3.510 3.868 -0.358 1
1 672 . 9 1 1 A 61 61 VAL CA C 95 64.360 64.707 -0.347 1
1 673 . 9 1 1 A 61 61 VAL CB C 95 31.330 31.446 -0.116 1
1 676 . 9 1 1 A 61 61 VAL N N 95 129.573 122.711 6.862 1
1 677 . 9 1 1 A 62 62 ASP H H 96 7.927 8.244 -0.317 1
1 678 . 9 1 1 A 62 62 ASP HA H 96 4.540 4.654 -0.114 1
1 681 . 9 1 1 A 62 62 ASP CA C 96 51.630 55.305 -3.675 1
1 682 . 9 1 1 A 62 62 ASP CB C 96 38.300 41.456 -3.156 1
1 683 . 9 1 1 A 62 62 ASP N N 96 115.789 120.947 -5.158 1
1 684 . 9 1 1 A 63 63 LYS H H 97 7.551 7.623 -0.072 1
1 685 . 9 1 1 A 63 63 LYS HA H 97 3.880 4.041 -0.161 1
1 694 . 9 1 1 A 63 63 LYS CA C 97 56.450 57.309 -0.859 1
1 695 . 9 1 1 A 63 63 LYS CB C 97 28.000 29.153 -1.153 1
1 699 . 9 1 1 A 63 63 LYS N N 97 115.740 117.374 -1.634 1
1 700 . 9 1 1 A 64 64 ASP H H 98 8.363 8.020 0.343 1
1 701 . 9 1 1 A 64 64 ASP HA H 98 4.660 4.722 -0.062 1
1 704 . 9 1 1 A 64 64 ASP CA C 98 52.060 52.956 -0.896 1
1 705 . 9 1 1 A 64 64 ASP CB C 98 39.500 40.649 -1.149 1
1 706 . 9 1 1 A 64 64 ASP N N 98 120.463 118.209 2.254 1
1 707 . 9 1 1 A 65 65 GLY H H 99 10.672 8.823 1.849 1
1 708 . 9 1 1 A 65 65 GLY HA2 H 99 3.910 4.057 -0.147 1
1 709 . 9 1 1 A 65 65 GLY HA3 H 99 4.320 4.281 0.039 1
1 710 . 9 1 1 A 65 65 GLY CA C 99 45.160 45.841 -0.681 1
1 711 . 9 1 1 A 65 65 GLY N N 99 115.823 110.901 4.922 1
1 712 . 9 1 1 A 66 66 LEU H H 100 8.127 7.983 0.144 1
1 713 . 9 1 1 A 66 66 LEU HA H 100 5.150 4.794 0.356 1
1 723 . 9 1 1 A 66 66 LEU CA C 100 52.200 53.685 -1.485 1
1 724 . 9 1 1 A 66 66 LEU CB C 100 44.490 44.341 0.149 1
1 728 . 9 1 1 A 66 66 LEU N N 100 123.135 123.025 0.110 1
1 729 . 9 1 1 A 67 67 LEU H H 101 8.729 8.771 -0.042 1
1 730 . 9 1 1 A 67 67 LEU HA H 101 5.810 4.473 1.337 1
1 740 . 9 1 1 A 67 67 LEU CA C 101 51.600 53.954 -2.354 1
1 741 . 9 1 1 A 67 67 LEU CB C 101 42.100 41.394 0.706 1
1 745 . 9 1 1 A 67 67 LEU N N 101 121.189 124.797 -3.608 1
1 746 . 9 1 1 A 68 68 ASP H H 102 9.236 8.758 0.478 1
1 747 . 9 1 1 A 68 68 ASP HA H 102 5.620 4.871 0.749 1
1 750 . 9 1 1 A 68 68 ASP CA C 102 51.160 54.093 -2.933 1
1 751 . 9 1 1 A 68 68 ASP CB C 102 39.750 42.015 -2.265 1
1 752 . 9 1 1 A 68 68 ASP N N 102 124.386 125.817 -1.431 1
1 753 . 9 1 1 A 69 69 ASP H H 103 8.539 8.803 -0.264 1
1 754 . 9 1 1 A 69 69 ASP HA H 103 2.830 3.625 -0.795 1
1 757 . 9 1 1 A 69 69 ASP CA C 103 56.160 56.711 -0.551 1
1 758 . 9 1 1 A 69 69 ASP CB C 103 37.160 39.594 -2.434 1
1 759 . 9 1 1 A 69 69 ASP N N 103 117.423 121.119 -3.696 1
1 760 . 9 1 1 A 70 70 GLU H H 104 7.997 7.962 0.035 1
1 761 . 9 1 1 A 70 70 GLU HA H 104 4.075 4.306 -0.231 1
1 766 . 9 1 1 A 70 70 GLU CA C 104 58.950 59.389 -0.439 1
1 767 . 9 1 1 A 70 70 GLU CB C 104 29.134 29.099 0.035 1
1 769 . 9 1 1 A 70 70 GLU N N 104 124.895 119.990 4.905 1
1 770 . 9 1 1 A 71 71 GLU H H 105 8.742 8.107 0.635 1
1 771 . 9 1 1 A 71 71 GLU HA H 105 4.048 4.080 -0.032 1
1 776 . 9 1 1 A 71 71 GLU CA C 105 58.570 59.168 -0.598 1
1 777 . 9 1 1 A 71 71 GLU CB C 105 30.270 29.358 0.912 1
1 779 . 9 1 1 A 71 71 GLU N N 105 123.465 120.723 2.742 1
1 780 . 9 1 1 A 72 72 PHE H H 106 9.426 8.735 0.691 1
1 781 . 9 1 1 A 72 72 PHE HA H 106 4.260 4.143 0.117 1
1 789 . 9 1 1 A 72 72 PHE CA C 106 60.000 61.360 -1.360 1
1 790 . 9 1 1 A 72 72 PHE CB C 106 38.440 39.324 -0.884 1
1 796 . 9 1 1 A 72 72 PHE N N 106 120.806 121.727 -0.921 1
1 797 . 9 1 1 A 73 73 ALA H H 107 8.097 7.894 0.203 1
1 798 . 9 1 1 A 73 73 ALA HA H 107 3.790 4.010 -0.220 1
1 802 . 9 1 1 A 73 73 ALA CA C 107 54.010 55.006 -0.996 1
1 803 . 9 1 1 A 73 73 ALA CB C 107 16.691 18.755 -2.064 1
1 804 . 9 1 1 A 73 73 ALA N N 107 126.845 121.200 5.645 1
1 805 . 9 1 1 A 74 74 LEU H H 108 8.431 8.472 -0.041 1
1 806 . 9 1 1 A 74 74 LEU HA H 108 4.065 4.049 0.016 1
1 816 . 9 1 1 A 74 74 LEU CA C 108 56.811 57.730 -0.919 1
1 817 . 9 1 1 A 74 74 LEU CB C 108 41.090 41.589 -0.499 1
1 821 . 9 1 1 A 74 74 LEU N N 108 121.250 120.534 0.716 1
1 822 . 9 1 1 A 75 75 ALA H H 109 8.663 8.447 0.216 1
1 823 . 9 1 1 A 75 75 ALA HA H 109 3.660 4.029 -0.369 1
1 827 . 9 1 1 A 75 75 ALA CA C 109 54.220 55.699 -1.479 1
1 828 . 9 1 1 A 75 75 ALA CB C 109 15.220 18.178 -2.958 1
1 829 . 9 1 1 A 75 75 ALA N N 109 122.981 121.137 1.844 1
1 830 . 9 1 1 A 76 76 ASN H H 110 7.249 7.835 -0.586 1
1 831 . 9 1 1 A 76 76 ASN HA H 110 3.800 4.169 -0.369 1
1 836 . 9 1 1 A 76 76 ASN CA C 110 55.500 55.836 -0.336 1
1 837 . 9 1 1 A 76 76 ASN CB C 110 36.610 36.800 -0.190 1
1 838 . 9 1 1 A 76 76 ASN N N 110 115.681 116.268 -0.587 1
1 840 . 9 1 1 A 77 77 HIS H H 111 8.345 7.855 0.490 1
1 841 . 9 1 1 A 77 77 HIS HA H 111 4.092 4.260 -0.168 1
1 846 . 9 1 1 A 77 77 HIS CA C 111 59.180 59.920 -0.740 1
1 847 . 9 1 1 A 77 77 HIS CB C 111 30.420 30.307 0.113 1
1 850 . 9 1 1 A 77 77 HIS N N 111 124.686 121.165 3.521 1
1 851 . 9 1 1 A 78 78 LEU H H 112 8.290 8.376 -0.086 1
1 852 . 9 1 1 A 78 78 LEU HA H 112 3.830 3.849 -0.019 1
1 862 . 9 1 1 A 78 78 LEU CA C 112 56.115 57.582 -1.467 1
1 863 . 9 1 1 A 78 78 LEU CB C 112 41.000 41.140 -0.140 1
1 867 . 9 1 1 A 78 78 LEU N N 112 119.085 119.329 -0.244 1
1 868 . 9 1 1 A 79 79 ILE H H 113 7.792 8.048 -0.256 1
1 869 . 9 1 1 A 79 79 ILE HA H 113 3.290 3.439 -0.149 1
1 879 . 9 1 1 A 79 79 ILE CA C 113 65.020 66.029 -1.009 1
1 880 . 9 1 1 A 79 79 ILE CB C 113 36.730 38.124 -1.394 1
1 884 . 9 1 1 A 79 79 ILE N N 113 121.304 120.645 0.659 1
1 885 . 9 1 1 A 80 80 LYS H H 114 7.537 8.059 -0.522 1
1 886 . 9 1 1 A 80 80 LYS HA H 114 3.830 4.016 -0.186 1
1 895 . 9 1 1 A 80 80 LYS CA C 114 58.970 58.973 -0.003 1
1 896 . 9 1 1 A 80 80 LYS CB C 114 30.470 31.980 -1.510 1
1 900 . 9 1 1 A 80 80 LYS N N 114 122.150 120.406 1.744 1
1 901 . 9 1 1 A 81 81 VAL H H 115 8.110 7.860 0.250 1
1 902 . 9 1 1 A 81 81 VAL HA H 115 3.740 3.535 0.205 1
1 910 . 9 1 1 A 81 81 VAL CA C 115 64.500 66.934 -2.434 1
1 911 . 9 1 1 A 81 81 VAL CB C 115 30.050 31.485 -1.435 1
1 914 . 9 1 1 A 81 81 VAL N N 115 118.999 120.667 -1.668 1
1 915 . 9 1 1 A 82 82 LYS H H 116 7.853 8.209 -0.356 1
1 916 . 9 1 1 A 82 82 LYS HA H 116 4.550 4.692 -0.142 1
1 925 . 9 1 1 A 82 82 LYS CA C 116 56.000 59.968 -3.968 1
1 926 . 9 1 1 A 82 82 LYS CB C 116 30.340 32.480 -2.140 1
1 930 . 9 1 1 A 82 82 LYS N N 116 123.030 120.456 2.574 1
1 931 . 9 1 1 A 83 83 LEU H H 117 8.959 8.235 0.724 1
1 932 . 9 1 1 A 83 83 LEU HA H 117 4.090 4.068 0.022 1
1 942 . 9 1 1 A 83 83 LEU CA C 117 56.620 57.803 -1.183 1
1 943 . 9 1 1 A 83 83 LEU CB C 117 40.361 41.256 -0.895 1
1 947 . 9 1 1 A 83 83 LEU N N 117 125.378 120.353 5.025 1
1 948 . 9 1 1 A 84 84 GLU H H 118 7.817 8.144 -0.327 1
1 949 . 9 1 1 A 84 84 GLU HA H 118 4.164 4.359 -0.195 1
1 954 . 9 1 1 A 84 84 GLU CA C 118 55.600 56.396 -0.796 1
1 955 . 9 1 1 A 84 84 GLU CB C 118 28.600 29.941 -1.341 1
1 957 . 9 1 1 A 84 84 GLU N N 118 119.766 115.956 3.810 1
1 958 . 9 1 1 A 85 85 GLY H H 119 7.862 8.620 -0.758 1
1 959 . 9 1 1 A 85 85 GLY HA2 H 119 3.650 3.739 -0.089 1
1 960 . 9 1 1 A 85 85 GLY HA3 H 119 4.140 3.837 0.303 1
1 961 . 9 1 1 A 85 85 GLY CA C 119 43.690 45.496 -1.806 1
1 962 . 9 1 1 A 85 85 GLY N N 119 107.902 107.926 -0.024 1
1 963 . 9 1 1 A 86 86 HIS H H 120 7.714 7.741 -0.027 1
1 964 . 9 1 1 A 86 86 HIS HA H 120 4.680 5.103 -0.423 1
1 969 . 9 1 1 A 86 86 HIS CA C 120 53.900 54.575 -0.675 1
1 970 . 9 1 1 A 86 86 HIS CB C 120 29.390 34.528 -5.138 1
1 972 . 9 1 1 A 86 86 HIS N N 120 122.124 116.902 5.222 1
1 973 . 9 1 1 A 87 87 GLU H H 121 8.491 8.809 -0.318 1
1 974 . 9 1 1 A 87 87 GLU HA H 121 4.310 4.999 -0.689 1
1 979 . 9 1 1 A 87 87 GLU CA C 121 54.000 54.951 -0.951 1
1 980 . 9 1 1 A 87 87 GLU CB C 121 29.120 33.415 -4.295 1
1 982 . 9 1 1 A 87 87 GLU N N 121 121.826 119.381 2.445 1
1 983 . 9 1 1 A 88 88 LEU H H 122 8.672 8.983 -0.311 1
1 984 . 9 1 1 A 88 88 LEU HA H 122 4.420 4.790 -0.370 1
1 994 . 9 1 1 A 88 88 LEU CA C 122 50.777 51.676 -0.899 1
1 995 . 9 1 1 A 88 88 LEU CB C 122 39.986 41.924 -1.938 1
1 999 . 9 1 1 A 88 88 LEU N N 122 125.316 123.398 1.918 1
1 1000 . 9 1 1 A 89 89 PRO HA H 123 4.570 4.418 0.152 1
1 1007 . 9 1 1 A 89 89 PRO CA C 123 60.690 63.874 -3.184 1
1 1008 . 9 1 1 A 89 89 PRO CB C 123 30.320 31.916 -1.596 1
1 1011 . 9 1 1 A 90 90 ALA H H 124 8.451 7.975 0.476 1
1 1012 . 9 1 1 A 90 90 ALA HA H 124 4.080 3.962 0.118 1
1 1016 . 9 1 1 A 90 90 ALA CA C 124 52.700 53.595 -0.895 1
1 1017 . 9 1 1 A 90 90 ALA CB C 124 17.760 18.020 -0.260 1
1 1018 . 9 1 1 A 90 90 ALA N N 124 123.603 120.327 3.276 1
1 1019 . 9 1 1 A 91 91 ASP H H 125 7.473 7.646 -0.173 1
1 1020 . 9 1 1 A 91 91 ASP HA H 125 4.640 5.264 -0.624 1
1 1023 . 9 1 1 A 91 91 ASP CA C 125 50.340 52.880 -2.540 1
1 1024 . 9 1 1 A 91 91 ASP CB C 125 42.620 45.039 -2.419 1
1 1025 . 9 1 1 A 91 91 ASP N N 125 115.317 116.844 -1.527 1
1 1026 . 9 1 1 A 92 92 LEU H H 126 8.883 8.892 -0.009 1
1 1027 . 9 1 1 A 92 92 LEU HA H 126 4.200 4.965 -0.765 1
1 1037 . 9 1 1 A 92 92 LEU CA C 126 51.930 51.430 0.500 1
1 1038 . 9 1 1 A 92 92 LEU CB C 126 41.032 43.712 -2.680 1
1 1042 . 9 1 1 A 92 92 LEU N N 126 125.329 122.668 2.661 1
1 1043 . 9 1 1 A 93 93 PRO HA H 127 4.870 4.543 0.327 1
1 1050 . 9 1 1 A 93 93 PRO CA C 127 59.820 61.753 -1.933 1
1 1051 . 9 1 1 A 93 93 PRO CB C 127 29.800 32.263 -2.463 1
1 1054 . 9 1 1 A 94 94 PRO HA H 128 4.230 4.215 0.015 1
1 1061 . 9 1 1 A 94 94 PRO CA C 128 64.560 65.004 -0.444 1
1 1062 . 9 1 1 A 94 94 PRO CB C 128 30.900 31.921 -1.021 1
1 1065 . 9 1 1 A 95 95 HIS H H 129 7.922 7.757 0.165 1
1 1066 . 9 1 1 A 95 95 HIS HA H 129 4.650 4.588 0.062 1
1 1071 . 9 1 1 A 95 95 HIS CA C 129 56.810 55.613 1.197 1
1 1072 . 9 1 1 A 95 95 HIS CB C 129 28.100 30.443 -2.343 1
1 1075 . 9 1 1 A 95 95 HIS N N 129 112.757 114.394 -1.637 1
1 1076 . 9 1 1 A 96 96 LEU H H 130 7.709 7.553 0.156 1
1 1077 . 9 1 1 A 96 96 LEU HA H 130 4.646 4.675 -0.029 1
1 1087 . 9 1 1 A 96 96 LEU CA C 130 53.100 54.474 -1.374 1
1 1088 . 9 1 1 A 96 96 LEU CB C 130 42.210 43.362 -1.152 1
1 1092 . 9 1 1 A 96 96 LEU N N 130 121.128 118.768 2.360 1
1 1093 . 9 1 1 A 97 97 VAL H H 131 7.184 7.476 -0.292 1
1 1094 . 9 1 1 A 97 97 VAL HA H 131 3.730 4.283 -0.553 1
1 1102 . 9 1 1 A 97 97 VAL CA C 131 60.520 60.417 0.103 1
1 1103 . 9 1 1 A 97 97 VAL CB C 131 31.310 31.957 -0.647 1
1 1106 . 9 1 1 A 97 97 VAL N N 131 125.572 118.444 7.128 1
1 1107 . 9 1 1 A 98 98 PRO HA H 132 2.700 3.348 -0.648 1
1 1114 . 9 1 1 A 98 98 PRO CA C 132 59.400 60.947 -1.547 1
1 1115 . 9 1 1 A 98 98 PRO CB C 132 30.250 31.669 -1.419 1
1 1118 . 9 1 1 A 99 99 PRO HA H 133 3.620 4.029 -0.409 1
1 1125 . 9 1 1 A 99 99 PRO CA C 133 64.760 65.260 -0.500 1
1 1126 . 9 1 1 A 99 99 PRO CB C 133 30.770 31.687 -0.917 1
1 1129 . 9 1 1 A 100 100 SER H H 134 9.195 8.210 0.985 1
1 1130 . 9 1 1 A 100 100 SER HA H 134 4.150 4.415 -0.265 1
1 1133 . 9 1 1 A 100 100 SER CA C 134 59.660 59.279 0.381 1
1 1134 . 9 1 1 A 100 100 SER CB C 134 61.320 62.640 -1.320 1
1 1135 . 9 1 1 A 100 100 SER N N 134 115.005 112.108 2.897 1
1 1136 . 9 1 1 A 101 101 LYS H H 135 7.867 7.871 -0.004 1
1 1137 . 9 1 1 A 101 101 LYS HA H 135 4.480 4.446 0.034 1
1 1146 . 9 1 1 A 101 101 LYS CA C 135 52.490 55.698 -3.208 1
1 1147 . 9 1 1 A 101 101 LYS CB C 135 30.600 32.727 -2.127 1
1 1151 . 9 1 1 A 101 101 LYS N N 135 121.053 121.413 -0.360 1
1 1152 . 9 1 1 A 102 102 ARG H H 136 7.077 7.187 -0.110 1
1 1153 . 9 1 1 A 102 102 ARG HA H 136 4.110 4.425 -0.315 1
1 1164 . 9 1 1 A 102 102 ARG CA C 136 55.440 56.012 -0.572 1
1 1165 . 9 1 1 A 102 102 ARG CB C 136 29.100 31.119 -2.019 1
1 1168 . 9 1 1 A 102 102 ARG N N 136 121.939 120.372 1.567 1
1 1169 . 9 1 1 A 103 103 ARG H H 137 8.289 8.706 -0.417 1
1 1170 . 9 1 1 A 103 103 ARG HA H 137 4.300 4.711 -0.411 1
1 1181 . 9 1 1 A 103 103 ARG CA C 137 54.100 56.095 -1.995 1
1 1182 . 9 1 1 A 103 103 ARG CB C 137 29.700 31.196 -1.496 1
1 1185 . 9 1 1 A 103 103 ARG N N 137 123.504 125.794 -2.290 1
1 1186 . 9 1 1 A 104 104 HIS H H 138 8.370 8.785 -0.415 1
1 1187 . 9 1 1 A 104 104 HIS HA H 138 4.678 5.236 -0.558 1
1 1192 . 9 1 1 A 104 104 HIS CA C 138 54.110 53.825 0.285 1
1 1193 . 9 1 1 A 104 104 HIS CB C 138 28.730 31.872 -3.142 1
1 1 . 10 1 1 A 7 7 ASP H H 41 8.479 8.867 -0.388 1
1 2 . 10 1 1 A 7 7 ASP HA H 41 4.650 4.985 -0.335 1
1 5 . 10 1 1 A 7 7 ASP CA C 41 53.120 53.925 -0.805 1
1 6 . 10 1 1 A 7 7 ASP CB C 41 39.840 41.240 -1.400 1
1 7 . 10 1 1 A 7 7 ASP N N 41 124.447 125.461 -1.014 1
1 8 . 10 1 1 A 8 8 VAL H H 42 7.916 8.726 -0.810 1
1 9 . 10 1 1 A 8 8 VAL HA H 42 4.150 4.739 -0.589 1
1 17 . 10 1 1 A 8 8 VAL CA C 42 60.500 59.908 0.592 1
1 18 . 10 1 1 A 8 8 VAL CB C 42 31.540 34.068 -2.528 1
1 21 . 10 1 1 A 8 8 VAL N N 42 120.853 123.758 -2.905 1
1 22 . 10 1 1 A 9 9 GLU H H 43 8.476 8.700 -0.224 1
1 23 . 10 1 1 A 9 9 GLU HA H 43 4.300 4.735 -0.435 1
1 28 . 10 1 1 A 9 9 GLU CA C 43 55.400 55.628 -0.228 1
1 29 . 10 1 1 A 9 9 GLU CB C 43 29.120 30.433 -1.313 1
1 31 . 10 1 1 A 9 9 GLU N N 43 127.650 126.672 0.978 1
1 32 . 10 1 1 A 10 10 TRP H H 44 8.839 8.879 -0.040 1
1 33 . 10 1 1 A 10 10 TRP HA H 44 5.240 4.809 0.431 1
1 42 . 10 1 1 A 10 10 TRP CA C 44 54.290 55.963 -1.673 1
1 43 . 10 1 1 A 10 10 TRP CB C 44 27.330 29.333 -2.003 1
1 49 . 10 1 1 A 10 10 TRP N N 44 126.406 127.718 -1.312 1
1 50 . 10 1 1 A 11 11 VAL H H 45 9.230 8.395 0.835 1
1 51 . 10 1 1 A 11 11 VAL HA H 45 3.900 3.680 0.220 1
1 59 . 10 1 1 A 11 11 VAL CA C 45 63.500 64.687 -1.187 1
1 60 . 10 1 1 A 11 11 VAL CB C 45 30.420 31.228 -0.808 1
1 63 . 10 1 1 A 11 11 VAL N N 45 131.353 125.756 5.597 1
1 64 . 10 1 1 A 12 12 VAL H H 46 5.020 6.905 -1.885 1
1 65 . 10 1 1 A 12 12 VAL HA H 46 3.050 3.509 -0.459 1
1 73 . 10 1 1 A 12 12 VAL CA C 46 60.540 65.053 -4.513 1
1 74 . 10 1 1 A 12 12 VAL CB C 46 29.280 30.820 -1.540 1
1 77 . 10 1 1 A 13 13 GLY H H 47 7.330 8.182 -0.852 1
1 78 . 10 1 1 A 13 13 GLY HA2 H 47 3.600 3.888 -0.288 1
1 79 . 10 1 1 A 13 13 GLY HA3 H 47 4.194 4.095 0.099 1
1 80 . 10 1 1 A 13 13 GLY CA C 47 46.400 46.969 -0.569 1
1 81 . 10 1 1 A 14 14 LYS H H 48 7.581 8.755 -1.174 1
1 82 . 10 1 1 A 14 14 LYS HA H 48 4.077 4.155 -0.078 1
1 91 . 10 1 1 A 14 14 LYS CA C 48 57.420 58.381 -0.961 1
1 92 . 10 1 1 A 14 14 LYS CB C 48 30.490 31.324 -0.834 1
1 96 . 10 1 1 A 14 14 LYS N N 48 121.084 118.435 2.649 1
1 97 . 10 1 1 A 15 15 ASP H H 49 7.309 7.599 -0.290 1
1 98 . 10 1 1 A 15 15 ASP HA H 49 4.770 4.859 -0.089 1
1 101 . 10 1 1 A 15 15 ASP CA C 49 52.880 52.477 0.403 1
1 102 . 10 1 1 A 15 15 ASP CB C 49 41.910 41.679 0.231 1
1 103 . 10 1 1 A 15 15 ASP N N 49 118.181 119.251 -1.070 1
1 104 . 10 1 1 A 16 16 LYS H H 50 7.506 7.676 -0.170 1
1 105 . 10 1 1 A 16 16 LYS HA H 50 4.068 4.041 0.027 1
1 114 . 10 1 1 A 16 16 LYS CA C 50 60.180 61.136 -0.956 1
1 115 . 10 1 1 A 16 16 LYS CB C 50 30.193 31.504 -1.311 1
1 119 . 10 1 1 A 16 16 LYS N N 50 123.633 121.740 1.893 1
1 120 . 10 1 1 A 17 17 PRO HA H 51 4.440 4.334 0.106 1
1 127 . 10 1 1 A 17 17 PRO CA C 51 65.660 65.735 -0.075 1
1 128 . 10 1 1 A 17 17 PRO CB C 51 29.600 30.865 -1.265 1
1 131 . 10 1 1 A 18 18 THR H H 52 7.280 7.560 -0.280 1
1 132 . 10 1 1 A 18 18 THR HA H 52 3.980 4.036 -0.056 1
1 137 . 10 1 1 A 18 18 THR CA C 52 64.440 65.267 -0.827 1
1 138 . 10 1 1 A 18 18 THR CB C 52 67.210 68.141 -0.931 1
1 140 . 10 1 1 A 18 18 THR N N 52 115.095 110.891 4.204 1
1 141 . 10 1 1 A 19 19 TYR H H 53 7.083 7.471 -0.388 1
1 142 . 10 1 1 A 19 19 TYR HA H 53 4.728 4.475 0.253 1
1 149 . 10 1 1 A 19 19 TYR CA C 53 57.110 62.277 -5.167 1
1 150 . 10 1 1 A 19 19 TYR CB C 53 35.170 37.344 -2.174 1
1 155 . 10 1 1 A 19 19 TYR N N 53 125.380 119.498 5.882 1
1 156 . 10 1 1 A 20 20 ASP H H 54 9.588 8.888 0.700 1
1 157 . 10 1 1 A 20 20 ASP HA H 54 4.520 4.552 -0.032 1
1 160 . 10 1 1 A 20 20 ASP CA C 54 55.515 57.805 -2.290 1
1 161 . 10 1 1 A 20 20 ASP CB C 54 38.740 41.609 -2.869 1
1 162 . 10 1 1 A 20 20 ASP N N 54 124.548 122.228 2.320 1
1 163 . 10 1 1 A 21 21 GLU H H 55 7.309 8.345 -1.036 1
1 164 . 10 1 1 A 21 21 GLU HA H 55 4.140 4.202 -0.062 1
1 169 . 10 1 1 A 21 21 GLU CA C 55 58.100 59.313 -1.213 1
1 170 . 10 1 1 A 21 21 GLU CB C 55 28.400 29.634 -1.234 1
1 172 . 10 1 1 A 21 21 GLU N N 55 118.181 119.381 -1.200 1
1 173 . 10 1 1 A 22 22 ILE H H 56 7.249 7.850 -0.601 1
1 174 . 10 1 1 A 22 22 ILE HA H 56 3.946 4.127 -0.181 1
1 184 . 10 1 1 A 22 22 ILE CA C 56 62.400 65.656 -3.256 1
1 185 . 10 1 1 A 22 22 ILE CB C 56 37.597 38.041 -0.444 1
1 189 . 10 1 1 A 22 22 ILE N N 56 118.978 120.667 -1.689 1
1 190 . 10 1 1 A 23 23 PHE H H 57 9.117 8.745 0.372 1
1 191 . 10 1 1 A 23 23 PHE HA H 57 3.100 3.895 -0.795 1
1 199 . 10 1 1 A 23 23 PHE CA C 57 61.330 61.481 -0.151 1
1 200 . 10 1 1 A 23 23 PHE CB C 57 38.250 39.559 -1.309 1
1 206 . 10 1 1 A 23 23 PHE N N 57 127.639 121.274 6.365 1
1 207 . 10 1 1 A 24 24 TYR H H 58 7.903 7.924 -0.021 1
1 208 . 10 1 1 A 24 24 TYR HA H 58 4.000 4.347 -0.347 1
1 215 . 10 1 1 A 24 24 TYR CA C 58 60.480 61.006 -0.526 1
1 216 . 10 1 1 A 24 24 TYR CB C 58 36.086 39.132 -3.046 1
1 221 . 10 1 1 A 24 24 TYR N N 58 112.757 114.188 -1.431 1
1 222 . 10 1 1 A 25 25 THR H H 59 8.081 8.102 -0.021 1
1 223 . 10 1 1 A 25 25 THR HA H 59 4.650 4.284 0.366 1
1 229 . 10 1 1 A 25 25 THR CA C 59 61.770 64.444 -2.674 1
1 230 . 10 1 1 A 25 25 THR CB C 59 68.700 68.958 -0.258 1
1 232 . 10 1 1 A 25 25 THR N N 59 112.676 113.705 -1.029 1
1 233 . 10 1 1 A 26 26 LEU H H 60 7.373 7.092 0.281 1
1 234 . 10 1 1 A 26 26 LEU HA H 60 4.470 4.323 0.147 1
1 244 . 10 1 1 A 26 26 LEU CA C 60 52.330 54.154 -1.824 1
1 245 . 10 1 1 A 26 26 LEU CB C 60 38.700 41.925 -3.225 1
1 249 . 10 1 1 A 26 26 LEU N N 60 125.808 120.337 5.471 1
1 250 . 10 1 1 A 27 27 SER H H 61 7.860 7.731 0.129 1
1 251 . 10 1 1 A 27 27 SER HA H 61 3.990 4.139 -0.149 1
1 254 . 10 1 1 A 27 27 SER CA C 61 56.300 58.436 -2.136 1
1 255 . 10 1 1 A 27 27 SER CB C 61 60.230 61.811 -1.581 1
1 256 . 10 1 1 A 27 27 SER N N 61 111.582 113.158 -1.576 1
1 257 . 10 1 1 A 28 28 PRO HA H 62 4.210 4.214 -0.004 1
1 264 . 10 1 1 A 28 28 PRO CA C 62 61.600 61.735 -0.135 1
1 265 . 10 1 1 A 28 28 PRO CB C 62 29.890 30.500 -0.610 1
1 268 . 10 1 1 A 29 29 VAL H H 63 8.750 8.063 0.687 1
1 269 . 10 1 1 A 29 29 VAL HA H 63 4.180 4.191 -0.011 1
1 277 . 10 1 1 A 29 29 VAL CA C 63 60.660 61.504 -0.844 1
1 278 . 10 1 1 A 29 29 VAL CB C 63 32.878 31.872 1.006 1
1 281 . 10 1 1 A 29 29 VAL N N 63 124.299 118.232 6.067 1
1 282 . 10 1 1 A 30 30 ASN H H 64 9.713 9.490 0.223 1
1 283 . 10 1 1 A 30 30 ASN HA H 64 4.420 4.469 -0.049 1
1 288 . 10 1 1 A 30 30 ASN CA C 64 52.940 54.528 -1.588 1
1 289 . 10 1 1 A 30 30 ASN CB C 64 36.300 37.027 -0.727 1
1 290 . 10 1 1 A 30 30 ASN N N 64 129.729 121.466 8.263 1
1 292 . 10 1 1 A 31 31 GLY H H 65 8.862 8.691 0.171 1
1 293 . 10 1 1 A 31 31 GLY HA2 H 65 3.760 3.953 -0.193 1
1 294 . 10 1 1 A 31 31 GLY HA3 H 65 4.260 4.045 0.215 1
1 295 . 10 1 1 A 31 31 GLY CA C 65 44.260 45.668 -1.408 1
1 296 . 10 1 1 A 31 31 GLY N N 65 130.591 104.700 25.891 1
1 297 . 10 1 1 A 32 32 LYS H H 66 7.501 7.735 -0.234 1
1 298 . 10 1 1 A 32 32 LYS HA H 66 5.420 5.168 0.252 1
1 307 . 10 1 1 A 32 32 LYS CA C 66 53.900 54.449 -0.549 1
1 308 . 10 1 1 A 32 32 LYS CB C 66 36.200 36.097 0.103 1
1 312 . 10 1 1 A 32 32 LYS N N 66 118.738 119.724 -0.986 1
1 313 . 10 1 1 A 33 33 ILE H H 67 9.230 9.234 -0.004 1
1 314 . 10 1 1 A 33 33 ILE HA H 67 5.030 4.773 0.257 1
1 324 . 10 1 1 A 33 33 ILE CA C 67 57.470 58.953 -1.483 1
1 325 . 10 1 1 A 33 33 ILE CB C 67 39.880 41.051 -1.171 1
1 329 . 10 1 1 A 33 33 ILE N N 67 118.166 118.921 -0.755 1
1 330 . 10 1 1 A 34 34 THR H H 68 8.242 8.797 -0.555 1
1 331 . 10 1 1 A 34 34 THR HA H 68 4.560 4.571 -0.011 1
1 337 . 10 1 1 A 34 34 THR CA C 68 58.970 60.836 -1.866 1
1 338 . 10 1 1 A 34 34 THR CB C 68 69.910 70.855 -0.945 1
1 340 . 10 1 1 A 34 34 THR N N 68 111.971 115.830 -3.859 1
1 341 . 10 1 1 A 35 35 GLY H H 69 8.987 8.932 0.055 1
1 342 . 10 1 1 A 35 35 GLY HA2 H 69 3.530 3.834 -0.304 1
1 343 . 10 1 1 A 35 35 GLY HA3 H 69 3.830 4.131 -0.301 1
1 344 . 10 1 1 A 35 35 GLY CA C 69 46.900 46.888 0.012 1
1 345 . 10 1 1 A 35 35 GLY N N 69 110.332 109.540 0.792 1
1 346 . 10 1 1 A 36 36 ALA H H 70 8.289 8.024 0.265 1
1 347 . 10 1 1 A 36 36 ALA HA H 70 3.890 3.975 -0.085 1
1 351 . 10 1 1 A 36 36 ALA CA C 70 53.830 54.735 -0.905 1
1 352 . 10 1 1 A 36 36 ALA CB C 70 16.900 18.579 -1.679 1
1 353 . 10 1 1 A 36 36 ALA N N 70 123.588 124.431 -0.843 1
1 354 . 10 1 1 A 37 37 ASN H H 71 7.550 8.156 -0.606 1
1 355 . 10 1 1 A 37 37 ASN HA H 71 4.690 4.525 0.165 1
1 360 . 10 1 1 A 37 37 ASN CA C 71 54.000 55.722 -1.722 1
1 361 . 10 1 1 A 37 37 ASN CB C 71 36.300 37.829 -1.529 1
1 362 . 10 1 1 A 37 37 ASN N N 71 118.594 117.337 1.257 1
1 364 . 10 1 1 A 38 38 ALA H H 72 8.825 7.933 0.892 1
1 365 . 10 1 1 A 38 38 ALA HA H 72 4.110 4.320 -0.210 1
1 369 . 10 1 1 A 38 38 ALA CA C 72 54.340 55.709 -1.369 1
1 370 . 10 1 1 A 38 38 ALA CB C 72 17.970 18.494 -0.524 1
1 371 . 10 1 1 A 38 38 ALA N N 72 123.885 123.064 0.821 1
1 372 . 10 1 1 A 39 39 LYS H H 73 8.798 8.261 0.537 1
1 373 . 10 1 1 A 39 39 LYS HA H 73 3.940 3.932 0.008 1
1 382 . 10 1 1 A 39 39 LYS CA C 73 59.000 59.570 -0.570 1
1 383 . 10 1 1 A 39 39 LYS CB C 73 30.880 32.044 -1.164 1
1 387 . 10 1 1 A 39 39 LYS N N 73 120.109 118.584 1.525 1
1 388 . 10 1 1 A 40 40 LYS H H 74 7.295 8.135 -0.840 1
1 389 . 10 1 1 A 40 40 LYS HA H 74 3.990 3.967 0.023 1
1 398 . 10 1 1 A 40 40 LYS CA C 74 58.240 59.852 -1.612 1
1 399 . 10 1 1 A 40 40 LYS CB C 74 30.900 32.295 -1.395 1
1 403 . 10 1 1 A 40 40 LYS N N 74 118.573 118.908 -0.335 1
1 404 . 10 1 1 A 41 41 GLU H H 75 7.111 8.064 -0.953 1
1 405 . 10 1 1 A 41 41 GLU HA H 75 4.450 4.148 0.302 1
1 410 . 10 1 1 A 41 41 GLU CA C 75 56.260 59.502 -3.242 1
1 411 . 10 1 1 A 41 41 GLU CB C 75 28.900 29.314 -0.414 1
1 413 . 10 1 1 A 41 41 GLU N N 75 117.503 118.776 -1.273 1
1 414 . 10 1 1 A 42 42 MET H H 76 8.672 8.139 0.533 1
1 415 . 10 1 1 A 42 42 MET HA H 76 4.020 4.236 -0.216 1
1 423 . 10 1 1 A 42 42 MET CA C 76 58.980 58.386 0.594 1
1 424 . 10 1 1 A 42 42 MET CB C 76 33.270 31.704 1.566 1
1 427 . 10 1 1 A 42 42 MET N N 76 121.435 119.014 2.421 1
1 428 . 10 1 1 A 43 43 VAL H H 77 8.703 8.005 0.698 1
1 429 . 10 1 1 A 43 43 VAL HA H 77 4.070 3.922 0.148 1
1 437 . 10 1 1 A 43 43 VAL CA C 77 63.490 65.269 -1.779 1
1 438 . 10 1 1 A 43 43 VAL CB C 77 30.570 31.374 -0.804 1
1 441 . 10 1 1 A 43 43 VAL N N 77 117.135 115.144 1.991 1
1 442 . 10 1 1 A 44 44 LYS H H 78 7.475 7.879 -0.404 1
1 443 . 10 1 1 A 44 44 LYS HA H 78 4.130 4.163 -0.033 1
1 452 . 10 1 1 A 44 44 LYS CA C 78 57.760 59.394 -1.634 1
1 453 . 10 1 1 A 44 44 LYS CB C 78 30.990 31.926 -0.936 1
1 457 . 10 1 1 A 44 44 LYS N N 78 124.308 121.997 2.311 1
1 458 . 10 1 1 A 45 45 SER H H 79 7.534 7.643 -0.109 1
1 459 . 10 1 1 A 45 45 SER HA H 79 4.080 4.454 -0.374 1
1 462 . 10 1 1 A 45 45 SER CA C 79 59.440 60.025 -0.585 1
1 463 . 10 1 1 A 45 45 SER CB C 79 64.580 63.527 1.053 1
1 464 . 10 1 1 A 45 45 SER N N 79 114.575 114.379 0.196 1
1 465 . 10 1 1 A 46 46 LYS H H 80 7.822 7.825 -0.003 1
1 466 . 10 1 1 A 46 46 LYS HA H 80 3.940 3.790 0.150 1
1 475 . 10 1 1 A 46 46 LYS CA C 80 57.020 57.407 -0.387 1
1 476 . 10 1 1 A 46 46 LYS CB C 80 27.840 29.164 -1.324 1
1 480 . 10 1 1 A 46 46 LYS N N 80 114.855 118.000 -3.145 1
1 481 . 10 1 1 A 47 47 LEU H H 81 7.486 7.823 -0.337 1
1 482 . 10 1 1 A 47 47 LEU HA H 81 4.490 4.648 -0.158 1
1 492 . 10 1 1 A 47 47 LEU CA C 81 52.000 52.595 -0.595 1
1 493 . 10 1 1 A 47 47 LEU CB C 81 40.400 41.601 -1.201 1
1 497 . 10 1 1 A 47 47 LEU N N 81 122.848 119.696 3.152 1
1 498 . 10 1 1 A 48 48 PRO HA H 82 4.520 4.614 -0.094 1
1 505 . 10 1 1 A 48 48 PRO CA C 82 60.910 62.852 -1.942 1
1 506 . 10 1 1 A 48 48 PRO CB C 82 31.550 32.623 -1.073 1
1 509 . 10 1 1 A 49 49 ASN H H 83 7.580 8.982 -1.402 1
1 510 . 10 1 1 A 49 49 ASN HA H 83 4.270 4.455 -0.185 1
1 515 . 10 1 1 A 49 49 ASN CA C 83 56.000 56.040 -0.040 1
1 516 . 10 1 1 A 49 49 ASN CB C 83 36.900 37.992 -1.092 1
1 518 . 10 1 1 A 50 50 THR H H 84 7.260 8.121 -0.861 1
1 519 . 10 1 1 A 50 50 THR HA H 84 4.020 4.019 0.001 1
1 524 . 10 1 1 A 50 50 THR CA C 84 63.474 65.694 -2.220 1
1 525 . 10 1 1 A 50 50 THR CB C 84 66.850 67.910 -1.060 1
1 527 . 10 1 1 A 51 51 VAL H H 85 6.887 8.151 -1.264 1
1 528 . 10 1 1 A 51 51 VAL HA H 85 3.660 3.719 -0.059 1
1 536 . 10 1 1 A 51 51 VAL CA C 85 64.300 67.279 -2.979 1
1 537 . 10 1 1 A 51 51 VAL CB C 85 30.500 31.646 -1.146 1
1 540 . 10 1 1 A 51 51 VAL N N 85 125.031 122.789 2.242 1
1 541 . 10 1 1 A 52 52 LEU H H 86 8.006 8.368 -0.362 1
1 542 . 10 1 1 A 52 52 LEU HA H 86 3.710 4.009 -0.299 1
1 552 . 10 1 1 A 52 52 LEU CA C 86 56.600 58.423 -1.823 1
1 553 . 10 1 1 A 52 52 LEU CB C 86 38.940 42.436 -3.496 1
1 557 . 10 1 1 A 52 52 LEU N N 86 121.391 119.840 1.551 1
1 558 . 10 1 1 A 53 53 GLY H H 87 8.438 8.551 -0.113 1
1 559 . 10 1 1 A 53 53 GLY HA2 H 87 3.850 3.784 0.066 1
1 560 . 10 1 1 A 53 53 GLY HA3 H 87 3.990 3.812 0.178 1
1 561 . 10 1 1 A 53 53 GLY CA C 87 46.200 47.181 -0.981 1
1 562 . 10 1 1 A 53 53 GLY N N 87 108.191 105.141 3.050 1
1 563 . 10 1 1 A 54 54 LYS H H 88 7.300 8.085 -0.785 1
1 564 . 10 1 1 A 54 54 LYS HA H 88 4.130 4.061 0.069 1
1 573 . 10 1 1 A 54 54 LYS CA C 88 57.890 59.000 -1.110 1
1 574 . 10 1 1 A 54 54 LYS CB C 88 31.000 32.267 -1.267 1
1 578 . 10 1 1 A 54 54 LYS N N 88 125.192 121.461 3.731 1
1 579 . 10 1 1 A 55 55 ILE H H 89 8.055 8.210 -0.155 1
1 580 . 10 1 1 A 55 55 ILE HA H 89 3.476 3.684 -0.208 1
1 590 . 10 1 1 A 55 55 ILE CA C 89 65.360 65.119 0.241 1
1 591 . 10 1 1 A 55 55 ILE CB C 89 36.300 37.626 -1.326 1
1 595 . 10 1 1 A 55 55 ILE N N 89 122.309 119.460 2.849 1
1 596 . 10 1 1 A 56 56 TRP H H 90 8.749 8.392 0.357 1
1 597 . 10 1 1 A 56 56 TRP HA H 90 3.880 4.167 -0.287 1
1 606 . 10 1 1 A 56 56 TRP CA C 90 60.260 60.511 -0.251 1
1 607 . 10 1 1 A 56 56 TRP CB C 90 27.660 29.809 -2.149 1
1 613 . 10 1 1 A 56 56 TRP N N 90 122.116 122.334 -0.218 1
1 615 . 10 1 1 A 57 57 LYS H H 91 7.581 8.377 -0.796 1
1 616 . 10 1 1 A 57 57 LYS HA H 91 3.910 4.176 -0.266 1
1 625 . 10 1 1 A 57 57 LYS CA C 91 57.790 58.491 -0.701 1
1 626 . 10 1 1 A 57 57 LYS CB C 91 31.300 32.607 -1.307 1
1 630 . 10 1 1 A 57 57 LYS N N 91 116.341 117.818 -1.477 1
1 631 . 10 1 1 A 58 58 LEU H H 92 7.580 7.388 0.192 1
1 632 . 10 1 1 A 58 58 LEU HA H 92 4.000 4.198 -0.198 1
1 642 . 10 1 1 A 58 58 LEU CA C 92 55.780 57.381 -1.601 1
1 643 . 10 1 1 A 58 58 LEU CB C 92 42.570 42.368 0.202 1
1 647 . 10 1 1 A 58 58 LEU N N 92 119.793 118.486 1.307 1
1 648 . 10 1 1 A 59 59 ALA H H 93 8.157 7.863 0.294 1
1 649 . 10 1 1 A 59 59 ALA HA H 93 4.130 4.164 -0.034 1
1 653 . 10 1 1 A 59 59 ALA CA C 93 52.400 53.968 -1.568 1
1 654 . 10 1 1 A 59 59 ALA CB C 93 17.560 18.657 -1.097 1
1 655 . 10 1 1 A 59 59 ALA N N 93 120.126 120.387 -0.261 1
1 656 . 10 1 1 A 60 60 ASP H H 94 7.499 7.747 -0.248 1
1 657 . 10 1 1 A 60 60 ASP HA H 94 4.550 4.347 0.203 1
1 660 . 10 1 1 A 60 60 ASP CA C 94 50.380 53.608 -3.228 1
1 661 . 10 1 1 A 60 60 ASP CB C 94 35.220 39.756 -4.536 1
1 662 . 10 1 1 A 60 60 ASP N N 94 115.431 118.242 -2.811 1
1 663 . 10 1 1 A 61 61 VAL H H 95 8.352 7.873 0.479 1
1 664 . 10 1 1 A 61 61 VAL HA H 95 3.510 3.726 -0.216 1
1 672 . 10 1 1 A 61 61 VAL CA C 95 64.360 64.744 -0.384 1
1 673 . 10 1 1 A 61 61 VAL CB C 95 31.330 31.346 -0.016 1
1 676 . 10 1 1 A 61 61 VAL N N 95 129.573 122.691 6.882 1
1 677 . 10 1 1 A 62 62 ASP H H 96 7.927 7.978 -0.051 1
1 678 . 10 1 1 A 62 62 ASP HA H 96 4.540 4.617 -0.077 1
1 681 . 10 1 1 A 62 62 ASP CA C 96 51.630 54.107 -2.477 1
1 682 . 10 1 1 A 62 62 ASP CB C 96 38.300 40.969 -2.669 1
1 683 . 10 1 1 A 62 62 ASP N N 96 115.789 120.698 -4.909 1
1 684 . 10 1 1 A 63 63 LYS H H 97 7.551 7.776 -0.225 1
1 685 . 10 1 1 A 63 63 LYS HA H 97 3.880 4.015 -0.135 1
1 694 . 10 1 1 A 63 63 LYS CA C 97 56.450 57.182 -0.732 1
1 695 . 10 1 1 A 63 63 LYS CB C 97 28.000 28.942 -0.942 1
1 699 . 10 1 1 A 63 63 LYS N N 97 115.740 115.190 0.550 1
1 700 . 10 1 1 A 64 64 ASP H H 98 8.363 8.210 0.153 1
1 701 . 10 1 1 A 64 64 ASP HA H 98 4.660 4.666 -0.006 1
1 704 . 10 1 1 A 64 64 ASP CA C 98 52.060 53.020 -0.960 1
1 705 . 10 1 1 A 64 64 ASP CB C 98 39.500 40.258 -0.758 1
1 706 . 10 1 1 A 64 64 ASP N N 98 120.463 117.872 2.591 1
1 707 . 10 1 1 A 65 65 GLY H H 99 10.672 8.911 1.761 1
1 708 . 10 1 1 A 65 65 GLY HA2 H 99 3.910 4.151 -0.241 1
1 709 . 10 1 1 A 65 65 GLY HA3 H 99 4.320 4.423 -0.103 1
1 710 . 10 1 1 A 65 65 GLY CA C 99 45.160 46.510 -1.350 1
1 711 . 10 1 1 A 65 65 GLY N N 99 115.823 111.065 4.758 1
1 712 . 10 1 1 A 66 66 LEU H H 100 8.127 7.557 0.570 1
1 713 . 10 1 1 A 66 66 LEU HA H 100 5.150 5.073 0.077 1
1 723 . 10 1 1 A 66 66 LEU CA C 100 52.200 53.730 -1.530 1
1 724 . 10 1 1 A 66 66 LEU CB C 100 44.490 45.749 -1.259 1
1 728 . 10 1 1 A 66 66 LEU N N 100 123.135 116.707 6.428 1
1 729 . 10 1 1 A 67 67 LEU H H 101 8.729 9.112 -0.383 1
1 730 . 10 1 1 A 67 67 LEU HA H 101 5.810 5.415 0.395 1
1 740 . 10 1 1 A 67 67 LEU CA C 101 51.600 53.597 -1.997 1
1 741 . 10 1 1 A 67 67 LEU CB C 101 42.100 43.075 -0.975 1
1 745 . 10 1 1 A 67 67 LEU N N 101 121.189 125.672 -4.483 1
1 746 . 10 1 1 A 68 68 ASP H H 102 9.236 9.052 0.184 1
1 747 . 10 1 1 A 68 68 ASP HA H 102 5.620 4.972 0.648 1
1 750 . 10 1 1 A 68 68 ASP CA C 102 51.160 53.702 -2.542 1
1 751 . 10 1 1 A 68 68 ASP CB C 102 39.750 42.044 -2.294 1
1 752 . 10 1 1 A 68 68 ASP N N 102 124.386 123.492 0.894 1
1 753 . 10 1 1 A 69 69 ASP H H 103 8.539 8.861 -0.322 1
1 754 . 10 1 1 A 69 69 ASP HA H 103 2.830 3.028 -0.198 1
1 757 . 10 1 1 A 69 69 ASP CA C 103 56.160 58.187 -2.027 1
1 758 . 10 1 1 A 69 69 ASP CB C 103 37.160 41.076 -3.916 1
1 759 . 10 1 1 A 69 69 ASP N N 103 117.423 122.679 -5.256 1
1 760 . 10 1 1 A 70 70 GLU H H 104 7.997 7.909 0.088 1
1 761 . 10 1 1 A 70 70 GLU HA H 104 4.075 4.341 -0.266 1
1 766 . 10 1 1 A 70 70 GLU CA C 104 58.950 59.315 -0.365 1
1 767 . 10 1 1 A 70 70 GLU CB C 104 29.134 29.548 -0.414 1
1 769 . 10 1 1 A 70 70 GLU N N 104 124.895 118.659 6.236 1
1 770 . 10 1 1 A 71 71 GLU H H 105 8.742 8.167 0.575 1
1 771 . 10 1 1 A 71 71 GLU HA H 105 4.048 4.084 -0.036 1
1 776 . 10 1 1 A 71 71 GLU CA C 105 58.570 59.246 -0.676 1
1 777 . 10 1 1 A 71 71 GLU CB C 105 30.270 29.415 0.855 1
1 779 . 10 1 1 A 71 71 GLU N N 105 123.465 120.675 2.790 1
1 780 . 10 1 1 A 72 72 PHE H H 106 9.426 8.749 0.677 1
1 781 . 10 1 1 A 72 72 PHE HA H 106 4.260 4.204 0.056 1
1 789 . 10 1 1 A 72 72 PHE CA C 106 60.000 61.653 -1.653 1
1 790 . 10 1 1 A 72 72 PHE CB C 106 38.440 39.196 -0.756 1
1 796 . 10 1 1 A 72 72 PHE N N 106 120.806 121.753 -0.947 1
1 797 . 10 1 1 A 73 73 ALA H H 107 8.097 8.116 -0.019 1
1 798 . 10 1 1 A 73 73 ALA HA H 107 3.790 3.961 -0.171 1
1 802 . 10 1 1 A 73 73 ALA CA C 107 54.010 55.206 -1.196 1
1 803 . 10 1 1 A 73 73 ALA CB C 107 16.691 17.948 -1.257 1
1 804 . 10 1 1 A 73 73 ALA N N 107 126.845 121.160 5.685 1
1 805 . 10 1 1 A 74 74 LEU H H 108 8.431 7.955 0.476 1
1 806 . 10 1 1 A 74 74 LEU HA H 108 4.065 3.783 0.282 1
1 816 . 10 1 1 A 74 74 LEU CA C 108 56.811 57.892 -1.081 1
1 817 . 10 1 1 A 74 74 LEU CB C 108 41.090 41.688 -0.598 1
1 821 . 10 1 1 A 74 74 LEU N N 108 121.250 118.566 2.684 1
1 822 . 10 1 1 A 75 75 ALA H H 109 8.663 8.413 0.250 1
1 823 . 10 1 1 A 75 75 ALA HA H 109 3.660 3.969 -0.309 1
1 827 . 10 1 1 A 75 75 ALA CA C 109 54.220 55.627 -1.407 1
1 828 . 10 1 1 A 75 75 ALA CB C 109 15.220 18.284 -3.064 1
1 829 . 10 1 1 A 75 75 ALA N N 109 122.981 121.596 1.385 1
1 830 . 10 1 1 A 76 76 ASN H H 110 7.249 7.978 -0.729 1
1 831 . 10 1 1 A 76 76 ASN HA H 110 3.800 4.052 -0.252 1
1 836 . 10 1 1 A 76 76 ASN CA C 110 55.500 55.810 -0.310 1
1 837 . 10 1 1 A 76 76 ASN CB C 110 36.610 36.669 -0.059 1
1 838 . 10 1 1 A 76 76 ASN N N 110 115.681 116.182 -0.501 1
1 840 . 10 1 1 A 77 77 HIS H H 111 8.345 7.591 0.754 1
1 841 . 10 1 1 A 77 77 HIS HA H 111 4.092 4.219 -0.127 1
1 846 . 10 1 1 A 77 77 HIS CA C 111 59.180 59.539 -0.359 1
1 847 . 10 1 1 A 77 77 HIS CB C 111 30.420 30.419 0.001 1
1 850 . 10 1 1 A 77 77 HIS N N 111 124.686 120.784 3.902 1
1 851 . 10 1 1 A 78 78 LEU H H 112 8.290 8.552 -0.262 1
1 852 . 10 1 1 A 78 78 LEU HA H 112 3.830 3.743 0.087 1
1 862 . 10 1 1 A 78 78 LEU CA C 112 56.115 58.169 -2.054 1
1 863 . 10 1 1 A 78 78 LEU CB C 112 41.000 41.883 -0.883 1
1 867 . 10 1 1 A 78 78 LEU N N 112 119.085 119.508 -0.423 1
1 868 . 10 1 1 A 79 79 ILE H H 113 7.792 8.336 -0.544 1
1 869 . 10 1 1 A 79 79 ILE HA H 113 3.290 3.456 -0.166 1
1 879 . 10 1 1 A 79 79 ILE CA C 113 65.020 65.715 -0.695 1
1 880 . 10 1 1 A 79 79 ILE CB C 113 36.730 37.952 -1.222 1
1 884 . 10 1 1 A 79 79 ILE N N 113 121.304 119.526 1.778 1
1 885 . 10 1 1 A 80 80 LYS H H 114 7.537 8.140 -0.603 1
1 886 . 10 1 1 A 80 80 LYS HA H 114 3.830 4.026 -0.196 1
1 895 . 10 1 1 A 80 80 LYS CA C 114 58.970 59.087 -0.117 1
1 896 . 10 1 1 A 80 80 LYS CB C 114 30.470 31.684 -1.214 1
1 900 . 10 1 1 A 80 80 LYS N N 114 122.150 120.364 1.786 1
1 901 . 10 1 1 A 81 81 VAL H H 115 8.110 8.034 0.076 1
1 902 . 10 1 1 A 81 81 VAL HA H 115 3.740 3.457 0.283 1
1 910 . 10 1 1 A 81 81 VAL CA C 115 64.500 66.563 -2.063 1
1 911 . 10 1 1 A 81 81 VAL CB C 115 30.050 31.261 -1.211 1
1 914 . 10 1 1 A 81 81 VAL N N 115 118.999 120.424 -1.425 1
1 915 . 10 1 1 A 82 82 LYS H H 116 7.853 7.736 0.117 1
1 916 . 10 1 1 A 82 82 LYS HA H 116 4.550 4.056 0.494 1
1 925 . 10 1 1 A 82 82 LYS CA C 116 56.000 59.870 -3.870 1
1 926 . 10 1 1 A 82 82 LYS CB C 116 30.340 32.287 -1.947 1
1 930 . 10 1 1 A 82 82 LYS N N 116 123.030 119.266 3.764 1
1 931 . 10 1 1 A 83 83 LEU H H 117 8.959 7.961 0.998 1
1 932 . 10 1 1 A 83 83 LEU HA H 117 4.090 4.149 -0.059 1
1 942 . 10 1 1 A 83 83 LEU CA C 117 56.620 57.590 -0.970 1
1 943 . 10 1 1 A 83 83 LEU CB C 117 40.361 41.299 -0.938 1
1 947 . 10 1 1 A 83 83 LEU N N 117 125.378 121.056 4.322 1
1 948 . 10 1 1 A 84 84 GLU H H 118 7.817 8.111 -0.294 1
1 949 . 10 1 1 A 84 84 GLU HA H 118 4.164 4.215 -0.051 1
1 954 . 10 1 1 A 84 84 GLU CA C 118 55.600 56.632 -1.032 1
1 955 . 10 1 1 A 84 84 GLU CB C 118 28.600 29.983 -1.383 1
1 957 . 10 1 1 A 84 84 GLU N N 118 119.766 115.788 3.978 1
1 958 . 10 1 1 A 85 85 GLY H H 119 7.862 7.802 0.060 1
1 959 . 10 1 1 A 85 85 GLY HA2 H 119 3.650 3.871 -0.221 1
1 960 . 10 1 1 A 85 85 GLY HA3 H 119 4.140 3.937 0.203 1
1 961 . 10 1 1 A 85 85 GLY CA C 119 43.690 45.300 -1.610 1
1 962 . 10 1 1 A 85 85 GLY N N 119 107.902 107.785 0.117 1
1 963 . 10 1 1 A 86 86 HIS H H 120 7.714 7.706 0.008 1
1 964 . 10 1 1 A 86 86 HIS HA H 120 4.680 4.710 -0.030 1
1 969 . 10 1 1 A 86 86 HIS CA C 120 53.900 55.879 -1.979 1
1 970 . 10 1 1 A 86 86 HIS CB C 120 29.390 33.001 -3.611 1
1 972 . 10 1 1 A 86 86 HIS N N 120 122.124 117.784 4.340 1
1 973 . 10 1 1 A 87 87 GLU H H 121 8.491 8.861 -0.370 1
1 974 . 10 1 1 A 87 87 GLU HA H 121 4.310 4.823 -0.513 1
1 979 . 10 1 1 A 87 87 GLU CA C 121 54.000 55.324 -1.324 1
1 980 . 10 1 1 A 87 87 GLU CB C 121 29.120 32.480 -3.360 1
1 982 . 10 1 1 A 87 87 GLU N N 121 121.826 120.537 1.289 1
1 983 . 10 1 1 A 88 88 LEU H H 122 8.672 8.817 -0.145 1
1 984 . 10 1 1 A 88 88 LEU HA H 122 4.420 4.787 -0.367 1
1 994 . 10 1 1 A 88 88 LEU CA C 122 50.777 53.153 -2.376 1
1 995 . 10 1 1 A 88 88 LEU CB C 122 39.986 41.831 -1.845 1
1 999 . 10 1 1 A 88 88 LEU N N 122 125.316 122.992 2.324 1
1 1000 . 10 1 1 A 89 89 PRO HA H 123 4.570 4.380 0.190 1
1 1007 . 10 1 1 A 89 89 PRO CA C 123 60.690 63.955 -3.265 1
1 1008 . 10 1 1 A 89 89 PRO CB C 123 30.320 31.922 -1.602 1
1 1011 . 10 1 1 A 90 90 ALA H H 124 8.451 7.996 0.455 1
1 1012 . 10 1 1 A 90 90 ALA HA H 124 4.080 3.952 0.128 1
1 1016 . 10 1 1 A 90 90 ALA CA C 124 52.700 53.526 -0.826 1
1 1017 . 10 1 1 A 90 90 ALA CB C 124 17.760 18.011 -0.251 1
1 1018 . 10 1 1 A 90 90 ALA N N 124 123.603 120.323 3.280 1
1 1019 . 10 1 1 A 91 91 ASP H H 125 7.473 7.558 -0.085 1
1 1020 . 10 1 1 A 91 91 ASP HA H 125 4.640 5.291 -0.651 1
1 1023 . 10 1 1 A 91 91 ASP CA C 125 50.340 52.807 -2.467 1
1 1024 . 10 1 1 A 91 91 ASP CB C 125 42.620 45.434 -2.814 1
1 1025 . 10 1 1 A 91 91 ASP N N 125 115.317 116.460 -1.143 1
1 1026 . 10 1 1 A 92 92 LEU H H 126 8.883 8.910 -0.027 1
1 1027 . 10 1 1 A 92 92 LEU HA H 126 4.200 4.961 -0.761 1
1 1037 . 10 1 1 A 92 92 LEU CA C 126 51.930 51.432 0.498 1
1 1038 . 10 1 1 A 92 92 LEU CB C 126 41.032 43.816 -2.784 1
1 1042 . 10 1 1 A 92 92 LEU N N 126 125.329 122.609 2.720 1
1 1043 . 10 1 1 A 93 93 PRO HA H 127 4.870 4.527 0.343 1
1 1050 . 10 1 1 A 93 93 PRO CA C 127 59.820 61.598 -1.778 1
1 1051 . 10 1 1 A 93 93 PRO CB C 127 29.800 31.933 -2.133 1
1 1054 . 10 1 1 A 94 94 PRO HA H 128 4.230 4.167 0.063 1
1 1061 . 10 1 1 A 94 94 PRO CA C 128 64.560 65.054 -0.494 1
1 1062 . 10 1 1 A 94 94 PRO CB C 128 30.900 31.829 -0.929 1
1 1065 . 10 1 1 A 95 95 HIS H H 129 7.922 7.882 0.040 1
1 1066 . 10 1 1 A 95 95 HIS HA H 129 4.650 4.608 0.042 1
1 1071 . 10 1 1 A 95 95 HIS CA C 129 56.810 55.772 1.038 1
1 1072 . 10 1 1 A 95 95 HIS CB C 129 28.100 30.452 -2.352 1
1 1075 . 10 1 1 A 95 95 HIS N N 129 112.757 114.131 -1.374 1
1 1076 . 10 1 1 A 96 96 LEU H H 130 7.709 7.711 -0.002 1
1 1077 . 10 1 1 A 96 96 LEU HA H 130 4.646 5.011 -0.365 1
1 1087 . 10 1 1 A 96 96 LEU CA C 130 53.100 54.680 -1.580 1
1 1088 . 10 1 1 A 96 96 LEU CB C 130 42.210 43.580 -1.370 1
1 1092 . 10 1 1 A 96 96 LEU N N 130 121.128 118.993 2.135 1
1 1093 . 10 1 1 A 97 97 VAL H H 131 7.184 7.177 0.007 1
1 1094 . 10 1 1 A 97 97 VAL HA H 131 3.730 4.162 -0.432 1
1 1102 . 10 1 1 A 97 97 VAL CA C 131 60.520 59.789 0.731 1
1 1103 . 10 1 1 A 97 97 VAL CB C 131 31.310 32.090 -0.780 1
1 1106 . 10 1 1 A 97 97 VAL N N 131 125.572 121.191 4.381 1
1 1107 . 10 1 1 A 98 98 PRO HA H 132 2.700 4.062 -1.362 1
1 1114 . 10 1 1 A 98 98 PRO CA C 132 59.400 61.617 -2.217 1
1 1115 . 10 1 1 A 98 98 PRO CB C 132 30.250 32.321 -2.071 1
1 1118 . 10 1 1 A 99 99 PRO HA H 133 3.620 4.043 -0.423 1
1 1125 . 10 1 1 A 99 99 PRO CA C 133 64.760 65.110 -0.350 1
1 1126 . 10 1 1 A 99 99 PRO CB C 133 30.770 31.752 -0.982 1
1 1129 . 10 1 1 A 100 100 SER H H 134 9.195 8.201 0.994 1
1 1130 . 10 1 1 A 100 100 SER HA H 134 4.150 4.231 -0.081 1
1 1133 . 10 1 1 A 100 100 SER CA C 134 59.660 59.710 -0.050 1
1 1134 . 10 1 1 A 100 100 SER CB C 134 61.320 62.420 -1.100 1
1 1135 . 10 1 1 A 100 100 SER N N 134 115.005 112.021 2.984 1
1 1136 . 10 1 1 A 101 101 LYS H H 135 7.867 7.628 0.239 1
1 1137 . 10 1 1 A 101 101 LYS HA H 135 4.480 4.578 -0.098 1
1 1146 . 10 1 1 A 101 101 LYS CA C 135 52.490 55.089 -2.599 1
1 1147 . 10 1 1 A 101 101 LYS CB C 135 30.600 32.458 -1.858 1
1 1151 . 10 1 1 A 101 101 LYS N N 135 121.053 117.488 3.565 1
1 1152 . 10 1 1 A 102 102 ARG H H 136 7.077 7.449 -0.372 1
1 1153 . 10 1 1 A 102 102 ARG HA H 136 4.110 4.872 -0.762 1
1 1164 . 10 1 1 A 102 102 ARG CA C 136 55.440 54.236 1.204 1
1 1165 . 10 1 1 A 102 102 ARG CB C 136 29.100 32.789 -3.689 1
1 1168 . 10 1 1 A 102 102 ARG N N 136 121.939 119.354 2.585 1
1 1169 . 10 1 1 A 103 103 ARG H H 137 8.289 8.476 -0.187 1
1 1170 . 10 1 1 A 103 103 ARG HA H 137 4.300 4.443 -0.143 1
1 1181 . 10 1 1 A 103 103 ARG CA C 137 54.100 55.744 -1.644 1
1 1182 . 10 1 1 A 103 103 ARG CB C 137 29.700 30.798 -1.098 1
1 1185 . 10 1 1 A 103 103 ARG N N 137 123.504 121.913 1.591 1
1 1186 . 10 1 1 A 104 104 HIS H H 138 8.370 8.627 -0.257 1
1 1187 . 10 1 1 A 104 104 HIS HA H 138 4.678 5.549 -0.871 1
1 1192 . 10 1 1 A 104 104 HIS CA C 138 54.110 54.113 -0.003 1
1 1193 . 10 1 1 A 104 104 HIS CB C 138 28.730 31.387 -2.657 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 98 1.715 1
3 1 1 1 "RMS(OBS, PRED)" CB 92 1.937 1
4 1 1 1 "RMS(OBS, PRED)" H 90 0.594 1
5 1 1 1 "RMS(OBS, PRED)" HA 104 0.336 1
6 1 1 1 "RMS(OBS, PRED)" N 85 4.069 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.805 1
9 1 2 1 "RMS(OBS, PRED)" CB 92 1.817 1
10 1 2 1 "RMS(OBS, PRED)" H 90 0.607 1
11 1 2 1 "RMS(OBS, PRED)" HA 104 0.374 1
12 1 2 1 "RMS(OBS, PRED)" N 85 3.835 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.736 1
15 1 3 1 "RMS(OBS, PRED)" CB 92 1.826 1
16 1 3 1 "RMS(OBS, PRED)" H 90 0.633 1
17 1 3 1 "RMS(OBS, PRED)" HA 104 0.359 1
18 1 3 1 "RMS(OBS, PRED)" N 85 3.922 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.805 1
21 1 4 1 "RMS(OBS, PRED)" CB 92 1.741 1
22 1 4 1 "RMS(OBS, PRED)" H 90 0.574 1
23 1 4 1 "RMS(OBS, PRED)" HA 104 0.344 1
24 1 4 1 "RMS(OBS, PRED)" N 85 3.939 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.740 1
27 1 5 1 "RMS(OBS, PRED)" CB 92 1.779 1
28 1 5 1 "RMS(OBS, PRED)" H 90 0.594 1
29 1 5 1 "RMS(OBS, PRED)" HA 104 0.340 1
30 1 5 1 "RMS(OBS, PRED)" N 85 4.116 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.719 1
33 1 6 1 "RMS(OBS, PRED)" CB 92 1.809 1
34 1 6 1 "RMS(OBS, PRED)" H 90 0.580 1
35 1 6 1 "RMS(OBS, PRED)" HA 104 0.350 1
36 1 6 1 "RMS(OBS, PRED)" N 85 4.150 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.697 1
39 1 7 1 "RMS(OBS, PRED)" CB 92 1.842 1
40 1 7 1 "RMS(OBS, PRED)" H 90 0.638 1
41 1 7 1 "RMS(OBS, PRED)" HA 104 0.377 1
42 1 7 1 "RMS(OBS, PRED)" N 85 4.294 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.775 1
45 1 8 1 "RMS(OBS, PRED)" CB 92 1.672 1
46 1 8 1 "RMS(OBS, PRED)" H 90 0.583 1
47 1 8 1 "RMS(OBS, PRED)" HA 104 0.297 1
48 1 8 1 "RMS(OBS, PRED)" N 85 3.992 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.685 1
51 1 9 1 "RMS(OBS, PRED)" CB 92 1.746 1
52 1 9 1 "RMS(OBS, PRED)" H 90 0.572 1
53 1 9 1 "RMS(OBS, PRED)" HA 104 0.349 1
54 1 9 1 "RMS(OBS, PRED)" N 85 4.225 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.699 1
57 1 10 1 "RMS(OBS, PRED)" CB 92 1.748 1
58 1 10 1 "RMS(OBS, PRED)" H 90 0.586 1
59 1 10 1 "RMS(OBS, PRED)" HA 104 0.318 1
60 1 10 1 "RMS(OBS, PRED)" N 85 4.272 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 7 7 ASP H H 41 8.479 8.684 -0.205 2
1 2 . 1 1 A 7 7 ASP HA H 41 4.650 5.047 -0.397 2
1 5 . 1 1 A 7 7 ASP CA C 41 53.120 53.673 -0.553 2
1 6 . 1 1 A 7 7 ASP CB C 41 39.840 41.832 -1.992 2
1 7 . 1 1 A 7 7 ASP N N 41 124.447 124.887 -0.440 2
1 8 . 1 1 A 8 8 VAL H H 42 7.916 8.771 -0.855 2
1 9 . 1 1 A 8 8 VAL HA H 42 4.150 4.622 -0.472 2
1 17 . 1 1 A 8 8 VAL CA C 42 60.500 60.928 -0.428 2
1 18 . 1 1 A 8 8 VAL CB C 42 31.540 33.358 -1.819 2
1 21 . 1 1 A 8 8 VAL N N 42 120.853 124.018 -3.165 2
1 22 . 1 1 A 9 9 GLU H H 43 8.476 8.704 -0.228 2
1 23 . 1 1 A 9 9 GLU HA H 43 4.300 4.649 -0.349 2
1 28 . 1 1 A 9 9 GLU CA C 43 55.400 55.894 -0.494 2
1 29 . 1 1 A 9 9 GLU CB C 43 29.120 30.257 -1.137 2
1 31 . 1 1 A 9 9 GLU N N 43 127.650 126.864 0.786 2
1 32 . 1 1 A 10 10 TRP H H 44 8.839 8.883 -0.043 2
1 33 . 1 1 A 10 10 TRP HA H 44 5.240 4.865 0.375 2
1 42 . 1 1 A 10 10 TRP CA C 44 54.290 56.283 -1.993 2
1 43 . 1 1 A 10 10 TRP CB C 44 27.330 29.826 -2.496 2
1 49 . 1 1 A 10 10 TRP N N 44 126.406 127.020 -0.614 2
1 50 . 1 1 A 11 11 VAL H H 45 9.230 8.379 0.851 2
1 51 . 1 1 A 11 11 VAL HA H 45 3.900 3.675 0.225 2
1 59 . 1 1 A 11 11 VAL CA C 45 63.500 65.385 -1.885 2
1 60 . 1 1 A 11 11 VAL CB C 45 30.420 31.384 -0.964 2
1 63 . 1 1 A 11 11 VAL N N 45 131.353 125.896 5.457 2
1 64 . 1 1 A 12 12 VAL H H 46 5.020 7.009 -1.989 2
1 65 . 1 1 A 12 12 VAL HA H 46 3.050 3.544 -0.494 2
1 73 . 1 1 A 12 12 VAL CA C 46 60.540 64.868 -4.327 2
1 74 . 1 1 A 12 12 VAL CB C 46 29.280 30.808 -1.528 2
1 77 . 1 1 A 13 13 GLY H H 47 7.330 8.240 -0.910 2
1 78 . 1 1 A 13 13 GLY HA2 H 47 3.600 3.941 -0.341 2
1 79 . 1 1 A 13 13 GLY HA3 H 47 4.194 4.036 0.158 2
1 80 . 1 1 A 13 13 GLY CA C 47 46.400 46.596 -0.196 2
1 81 . 1 1 A 14 14 LYS H H 48 7.581 7.878 -0.297 2
1 82 . 1 1 A 14 14 LYS HA H 48 4.077 4.115 -0.038 2
1 91 . 1 1 A 14 14 LYS CA C 48 57.420 58.656 -1.236 2
1 92 . 1 1 A 14 14 LYS CB C 48 30.490 32.407 -1.917 2
1 96 . 1 1 A 14 14 LYS N N 48 121.084 119.937 1.147 2
1 97 . 1 1 A 15 15 ASP H H 49 7.309 7.628 -0.319 2
1 98 . 1 1 A 15 15 ASP HA H 49 4.770 4.818 -0.048 2
1 101 . 1 1 A 15 15 ASP CA C 49 52.880 52.635 0.245 2
1 102 . 1 1 A 15 15 ASP CB C 49 41.910 41.386 0.524 2
1 103 . 1 1 A 15 15 ASP N N 49 118.181 118.433 -0.252 2
1 104 . 1 1 A 16 16 LYS H H 50 7.506 7.691 -0.185 2
1 105 . 1 1 A 16 16 LYS HA H 50 4.068 4.048 0.020 2
1 114 . 1 1 A 16 16 LYS CA C 50 60.180 61.205 -1.024 2
1 115 . 1 1 A 16 16 LYS CB C 50 30.193 31.341 -1.148 2
1 119 . 1 1 A 16 16 LYS N N 50 123.633 121.367 2.266 2
1 120 . 1 1 A 17 17 PRO HA H 51 4.440 4.378 0.062 2
1 127 . 1 1 A 17 17 PRO CA C 51 65.660 65.521 0.139 2
1 128 . 1 1 A 17 17 PRO CB C 51 29.600 31.104 -1.504 2
1 131 . 1 1 A 18 18 THR H H 52 7.280 7.489 -0.209 2
1 132 . 1 1 A 18 18 THR HA H 52 3.980 4.033 -0.053 2
1 137 . 1 1 A 18 18 THR CA C 52 64.440 65.240 -0.800 2
1 138 . 1 1 A 18 18 THR CB C 52 67.210 68.143 -0.933 2
1 140 . 1 1 A 18 18 THR N N 52 115.095 111.455 3.640 2
1 141 . 1 1 A 19 19 TYR H H 53 7.083 7.439 -0.355 2
1 142 . 1 1 A 19 19 TYR HA H 53 4.728 4.437 0.291 2
1 149 . 1 1 A 19 19 TYR CA C 53 57.110 62.119 -5.009 2
1 150 . 1 1 A 19 19 TYR CB C 53 35.170 37.237 -2.067 2
1 155 . 1 1 A 19 19 TYR N N 53 125.380 119.574 5.806 2
1 156 . 1 1 A 20 20 ASP H H 54 9.588 8.768 0.820 2
1 157 . 1 1 A 20 20 ASP HA H 54 4.520 4.550 -0.030 2
1 160 . 1 1 A 20 20 ASP CA C 54 55.515 57.817 -2.302 2
1 161 . 1 1 A 20 20 ASP CB C 54 38.740 41.451 -2.711 2
1 162 . 1 1 A 20 20 ASP N N 54 124.548 122.034 2.514 2
1 163 . 1 1 A 21 21 GLU H H 55 7.309 8.309 -1.000 2
1 164 . 1 1 A 21 21 GLU HA H 55 4.140 4.195 -0.055 2
1 169 . 1 1 A 21 21 GLU CA C 55 58.100 59.293 -1.193 2
1 170 . 1 1 A 21 21 GLU CB C 55 28.400 29.658 -1.258 2
1 172 . 1 1 A 21 21 GLU N N 55 118.181 119.256 -1.075 2
1 173 . 1 1 A 22 22 ILE H H 56 7.249 7.949 -0.700 2
1 174 . 1 1 A 22 22 ILE HA H 56 3.946 4.128 -0.182 2
1 184 . 1 1 A 22 22 ILE CA C 56 62.400 65.284 -2.884 2
1 185 . 1 1 A 22 22 ILE CB C 56 37.597 37.818 -0.221 2
1 189 . 1 1 A 22 22 ILE N N 56 118.978 120.628 -1.650 2
1 190 . 1 1 A 23 23 PHE H H 57 9.117 8.795 0.322 2
1 191 . 1 1 A 23 23 PHE HA H 57 3.100 3.880 -0.780 2
1 199 . 1 1 A 23 23 PHE CA C 57 61.330 61.564 -0.234 2
1 200 . 1 1 A 23 23 PHE CB C 57 38.250 39.177 -0.927 2
1 206 . 1 1 A 23 23 PHE N N 57 127.639 121.770 5.869 2
1 207 . 1 1 A 24 24 TYR H H 58 7.903 8.295 -0.392 2
1 208 . 1 1 A 24 24 TYR HA H 58 4.000 4.453 -0.453 2
1 215 . 1 1 A 24 24 TYR CA C 58 60.480 60.753 -0.273 2
1 216 . 1 1 A 24 24 TYR CB C 58 36.086 38.388 -2.302 2
1 221 . 1 1 A 24 24 TYR N N 58 112.757 115.361 -2.604 2
1 222 . 1 1 A 25 25 THR H H 59 8.081 7.808 0.273 2
1 223 . 1 1 A 25 25 THR HA H 59 4.650 4.408 0.242 2
1 229 . 1 1 A 25 25 THR CA C 59 61.770 63.260 -1.490 2
1 230 . 1 1 A 25 25 THR CB C 59 68.700 69.358 -0.658 2
1 232 . 1 1 A 25 25 THR N N 59 112.676 112.456 0.221 2
1 233 . 1 1 A 26 26 LEU H H 60 7.373 7.242 0.131 2
1 234 . 1 1 A 26 26 LEU HA H 60 4.470 4.359 0.111 2
1 244 . 1 1 A 26 26 LEU CA C 60 52.330 54.054 -1.724 2
1 245 . 1 1 A 26 26 LEU CB C 60 38.700 41.909 -3.209 2
1 249 . 1 1 A 26 26 LEU N N 60 125.808 120.378 5.430 2
1 250 . 1 1 A 27 27 SER H H 61 7.860 7.818 0.042 2
1 251 . 1 1 A 27 27 SER HA H 61 3.990 4.155 -0.165 2
1 254 . 1 1 A 27 27 SER CA C 61 56.300 58.572 -2.272 2
1 255 . 1 1 A 27 27 SER CB C 61 60.230 61.726 -1.496 2
1 256 . 1 1 A 27 27 SER N N 61 111.582 112.951 -1.369 2
1 257 . 1 1 A 28 28 PRO HA H 62 4.210 4.453 -0.243 2
1 264 . 1 1 A 28 28 PRO CA C 62 61.600 62.026 -0.426 2
1 265 . 1 1 A 28 28 PRO CB C 62 29.890 31.691 -1.801 2
1 268 . 1 1 A 29 29 VAL H H 63 8.750 8.435 0.315 2
1 269 . 1 1 A 29 29 VAL HA H 63 4.180 4.371 -0.191 2
1 277 . 1 1 A 29 29 VAL CA C 63 60.660 60.928 -0.268 2
1 278 . 1 1 A 29 29 VAL CB C 63 32.878 32.754 0.124 2
1 281 . 1 1 A 29 29 VAL N N 63 124.299 120.824 3.475 2
1 282 . 1 1 A 30 30 ASN H H 64 9.713 9.424 0.289 2
1 283 . 1 1 A 30 30 ASN HA H 64 4.420 4.478 -0.058 2
1 288 . 1 1 A 30 30 ASN CA C 64 52.940 54.435 -1.495 2
1 289 . 1 1 A 30 30 ASN CB C 64 36.300 36.835 -0.535 2
1 290 . 1 1 A 30 30 ASN N N 64 129.729 125.614 4.115 2
1 292 . 1 1 A 31 31 GLY H H 65 8.862 8.618 0.244 2
1 293 . 1 1 A 31 31 GLY HA2 H 65 3.760 3.928 -0.168 2
1 294 . 1 1 A 31 31 GLY HA3 H 65 4.260 3.976 0.284 2
1 295 . 1 1 A 31 31 GLY CA C 65 44.260 45.584 -1.324 2
1 296 . 1 1 A 31 31 GLY N N 65 130.591 105.466 25.125 2
1 297 . 1 1 A 32 32 LYS H H 66 7.501 7.819 -0.319 2
1 298 . 1 1 A 32 32 LYS HA H 66 5.420 5.176 0.244 2
1 307 . 1 1 A 32 32 LYS CA C 66 53.900 54.704 -0.804 2
1 308 . 1 1 A 32 32 LYS CB C 66 36.200 35.751 0.449 2
1 312 . 1 1 A 32 32 LYS N N 66 118.738 119.969 -1.231 2
1 313 . 1 1 A 33 33 ILE H H 67 9.230 8.857 0.373 2
1 314 . 1 1 A 33 33 ILE HA H 67 5.030 4.620 0.410 2
1 324 . 1 1 A 33 33 ILE CA C 67 57.470 59.620 -2.150 2
1 325 . 1 1 A 33 33 ILE CB C 67 39.880 39.597 0.283 2
1 329 . 1 1 A 33 33 ILE N N 67 118.166 120.426 -2.260 2
1 330 . 1 1 A 34 34 THR H H 68 8.242 8.504 -0.262 2
1 331 . 1 1 A 34 34 THR HA H 68 4.560 4.638 -0.078 2
1 337 . 1 1 A 34 34 THR CA C 68 58.970 61.055 -2.085 2
1 338 . 1 1 A 34 34 THR CB C 68 69.910 70.510 -0.599 2
1 340 . 1 1 A 34 34 THR N N 68 111.971 116.521 -4.550 2
1 341 . 1 1 A 35 35 GLY H H 69 8.987 8.744 0.243 2
1 342 . 1 1 A 35 35 GLY HA2 H 69 3.530 3.773 -0.243 2
1 343 . 1 1 A 35 35 GLY HA3 H 69 3.830 4.079 -0.248 2
1 344 . 1 1 A 35 35 GLY CA C 69 46.900 46.861 0.039 2
1 345 . 1 1 A 35 35 GLY N N 69 110.332 111.183 -0.851 2
1 346 . 1 1 A 36 36 ALA H H 70 8.289 7.932 0.357 2
1 347 . 1 1 A 36 36 ALA HA H 70 3.890 3.954 -0.064 2
1 351 . 1 1 A 36 36 ALA CA C 70 53.830 54.749 -0.919 2
1 352 . 1 1 A 36 36 ALA CB C 70 16.900 18.663 -1.763 2
1 353 . 1 1 A 36 36 ALA N N 70 123.588 124.196 -0.608 2
1 354 . 1 1 A 37 37 ASN H H 71 7.550 8.014 -0.464 2
1 355 . 1 1 A 37 37 ASN HA H 71 4.690 4.485 0.205 2
1 360 . 1 1 A 37 37 ASN CA C 71 54.000 55.729 -1.729 2
1 361 . 1 1 A 37 37 ASN CB C 71 36.300 37.731 -1.431 2
1 362 . 1 1 A 37 37 ASN N N 71 118.594 116.659 1.935 2
1 364 . 1 1 A 38 38 ALA H H 72 8.825 8.060 0.765 2
1 365 . 1 1 A 38 38 ALA HA H 72 4.110 4.185 -0.075 2
1 369 . 1 1 A 38 38 ALA CA C 72 54.340 55.616 -1.276 2
1 370 . 1 1 A 38 38 ALA CB C 72 17.970 18.650 -0.680 2
1 371 . 1 1 A 38 38 ALA N N 72 123.885 122.434 1.451 2
1 372 . 1 1 A 39 39 LYS H H 73 8.798 8.016 0.782 2
1 373 . 1 1 A 39 39 LYS HA H 73 3.940 3.966 -0.026 2
1 382 . 1 1 A 39 39 LYS CA C 73 59.000 59.497 -0.497 2
1 383 . 1 1 A 39 39 LYS CB C 73 30.880 32.027 -1.147 2
1 387 . 1 1 A 39 39 LYS N N 73 120.109 118.498 1.611 2
1 388 . 1 1 A 40 40 LYS H H 74 7.295 7.925 -0.629 2
1 389 . 1 1 A 40 40 LYS HA H 74 3.990 3.977 0.013 2
1 398 . 1 1 A 40 40 LYS CA C 74 58.240 59.906 -1.666 2
1 399 . 1 1 A 40 40 LYS CB C 74 30.900 32.273 -1.373 2
1 403 . 1 1 A 40 40 LYS N N 74 118.573 118.662 -0.089 2
1 404 . 1 1 A 41 41 GLU H H 75 7.111 8.048 -0.937 2
1 405 . 1 1 A 41 41 GLU HA H 75 4.450 4.147 0.303 2
1 410 . 1 1 A 41 41 GLU CA C 75 56.260 59.475 -3.216 2
1 411 . 1 1 A 41 41 GLU CB C 75 28.900 29.293 -0.393 2
1 413 . 1 1 A 41 41 GLU N N 75 117.503 119.237 -1.734 2
1 414 . 1 1 A 42 42 MET H H 76 8.672 8.312 0.360 2
1 415 . 1 1 A 42 42 MET HA H 76 4.020 4.255 -0.235 2
1 423 . 1 1 A 42 42 MET CA C 76 58.980 58.761 0.218 2
1 424 . 1 1 A 42 42 MET CB C 76 33.270 32.111 1.159 2
1 427 . 1 1 A 42 42 MET N N 76 121.435 118.951 2.484 2
1 428 . 1 1 A 43 43 VAL H H 77 8.703 8.104 0.599 2
1 429 . 1 1 A 43 43 VAL HA H 77 4.070 3.869 0.201 2
1 437 . 1 1 A 43 43 VAL CA C 77 63.490 65.570 -2.080 2
1 438 . 1 1 A 43 43 VAL CB C 77 30.570 31.479 -0.909 2
1 441 . 1 1 A 43 43 VAL N N 77 117.135 116.430 0.705 2
1 442 . 1 1 A 44 44 LYS H H 78 7.475 7.854 -0.380 2
1 443 . 1 1 A 44 44 LYS HA H 78 4.130 4.187 -0.057 2
1 452 . 1 1 A 44 44 LYS CA C 78 57.760 59.171 -1.411 2
1 453 . 1 1 A 44 44 LYS CB C 78 30.990 32.126 -1.136 2
1 457 . 1 1 A 44 44 LYS N N 78 124.308 121.567 2.741 2
1 458 . 1 1 A 45 45 SER H H 79 7.534 7.607 -0.073 2
1 459 . 1 1 A 45 45 SER HA H 79 4.080 4.458 -0.378 2
1 462 . 1 1 A 45 45 SER CA C 79 59.440 59.729 -0.289 2
1 463 . 1 1 A 45 45 SER CB C 79 64.580 63.417 1.162 2
1 464 . 1 1 A 45 45 SER N N 79 114.575 113.747 0.828 2
1 465 . 1 1 A 46 46 LYS H H 80 7.822 7.688 0.134 2
1 466 . 1 1 A 46 46 LYS HA H 80 3.940 3.873 0.067 2
1 475 . 1 1 A 46 46 LYS CA C 80 57.020 57.517 -0.497 2
1 476 . 1 1 A 46 46 LYS CB C 80 27.840 29.051 -1.211 2
1 480 . 1 1 A 46 46 LYS N N 80 114.855 117.785 -2.930 2
1 481 . 1 1 A 47 47 LEU H H 81 7.486 7.820 -0.334 2
1 482 . 1 1 A 47 47 LEU HA H 81 4.490 4.582 -0.092 2
1 492 . 1 1 A 47 47 LEU CA C 81 52.000 52.603 -0.603 2
1 493 . 1 1 A 47 47 LEU CB C 81 40.400 41.560 -1.161 2
1 497 . 1 1 A 47 47 LEU N N 81 122.848 119.774 3.074 2
1 498 . 1 1 A 48 48 PRO HA H 82 4.520 4.581 -0.061 2
1 505 . 1 1 A 48 48 PRO CA C 82 60.910 62.699 -1.789 2
1 506 . 1 1 A 48 48 PRO CB C 82 31.550 32.709 -1.159 2
1 509 . 1 1 A 49 49 ASN H H 83 7.580 8.773 -1.193 2
1 510 . 1 1 A 49 49 ASN HA H 83 4.270 4.404 -0.134 2
1 515 . 1 1 A 49 49 ASN CA C 83 56.000 56.104 -0.104 2
1 516 . 1 1 A 49 49 ASN CB C 83 36.900 38.080 -1.180 2
1 518 . 1 1 A 50 50 THR H H 84 7.260 8.077 -0.817 2
1 519 . 1 1 A 50 50 THR HA H 84 4.020 3.975 0.045 2
1 524 . 1 1 A 50 50 THR CA C 84 63.474 66.692 -3.218 2
1 525 . 1 1 A 50 50 THR CB C 84 66.850 68.463 -1.613 2
1 527 . 1 1 A 51 51 VAL H H 85 6.887 8.095 -1.208 2
1 528 . 1 1 A 51 51 VAL HA H 85 3.660 3.709 -0.049 2
1 536 . 1 1 A 51 51 VAL CA C 85 64.300 67.192 -2.892 2
1 537 . 1 1 A 51 51 VAL CB C 85 30.500 31.577 -1.077 2
1 540 . 1 1 A 51 51 VAL N N 85 125.031 122.208 2.823 2
1 541 . 1 1 A 52 52 LEU H H 86 8.006 8.418 -0.412 2
1 542 . 1 1 A 52 52 LEU HA H 86 3.710 4.060 -0.350 2
1 552 . 1 1 A 52 52 LEU CA C 86 56.600 58.434 -1.834 2
1 553 . 1 1 A 52 52 LEU CB C 86 38.940 41.812 -2.872 2
1 557 . 1 1 A 52 52 LEU N N 86 121.391 119.942 1.449 2
1 558 . 1 1 A 53 53 GLY H H 87 8.438 8.596 -0.158 2
1 559 . 1 1 A 53 53 GLY HA2 H 87 3.850 3.805 0.045 2
1 560 . 1 1 A 53 53 GLY HA3 H 87 3.990 3.833 0.157 2
1 561 . 1 1 A 53 53 GLY CA C 87 46.200 47.174 -0.974 2
1 562 . 1 1 A 53 53 GLY N N 87 108.191 106.026 2.165 2
1 563 . 1 1 A 54 54 LYS H H 88 7.300 8.053 -0.753 2
1 564 . 1 1 A 54 54 LYS HA H 88 4.130 4.055 0.075 2
1 573 . 1 1 A 54 54 LYS CA C 88 57.890 59.238 -1.348 2
1 574 . 1 1 A 54 54 LYS CB C 88 31.000 32.122 -1.122 2
1 578 . 1 1 A 54 54 LYS N N 88 125.192 121.410 3.782 2
1 579 . 1 1 A 55 55 ILE H H 89 8.055 8.226 -0.171 2
1 580 . 1 1 A 55 55 ILE HA H 89 3.476 3.678 -0.202 2
1 590 . 1 1 A 55 55 ILE CA C 89 65.360 65.352 0.008 2
1 591 . 1 1 A 55 55 ILE CB C 89 36.300 37.753 -1.453 2
1 595 . 1 1 A 55 55 ILE N N 89 122.309 120.021 2.288 2
1 596 . 1 1 A 56 56 TRP H H 90 8.749 8.496 0.253 2
1 597 . 1 1 A 56 56 TRP HA H 90 3.880 4.171 -0.291 2
1 606 . 1 1 A 56 56 TRP CA C 90 60.260 60.577 -0.317 2
1 607 . 1 1 A 56 56 TRP CB C 90 27.660 29.806 -2.146 2
1 613 . 1 1 A 56 56 TRP N N 90 122.116 122.086 0.030 2
1 615 . 1 1 A 57 57 LYS H H 91 7.581 8.275 -0.694 2
1 616 . 1 1 A 57 57 LYS HA H 91 3.910 4.201 -0.291 2
1 625 . 1 1 A 57 57 LYS CA C 91 57.790 58.418 -0.628 2
1 626 . 1 1 A 57 57 LYS CB C 91 31.300 32.378 -1.078 2
1 630 . 1 1 A 57 57 LYS N N 91 116.341 118.170 -1.829 2
1 631 . 1 1 A 58 58 LEU H H 92 7.580 7.477 0.103 2
1 632 . 1 1 A 58 58 LEU HA H 92 4.000 4.187 -0.187 2
1 642 . 1 1 A 58 58 LEU CA C 92 55.780 57.255 -1.475 2
1 643 . 1 1 A 58 58 LEU CB C 92 42.570 42.343 0.227 2
1 647 . 1 1 A 58 58 LEU N N 92 119.793 118.350 1.443 2
1 648 . 1 1 A 59 59 ALA H H 93 8.157 8.057 0.100 2
1 649 . 1 1 A 59 59 ALA HA H 93 4.130 4.179 -0.049 2
1 653 . 1 1 A 59 59 ALA CA C 93 52.400 54.245 -1.845 2
1 654 . 1 1 A 59 59 ALA CB C 93 17.560 18.514 -0.954 2
1 655 . 1 1 A 59 59 ALA N N 93 120.126 120.874 -0.748 2
1 656 . 1 1 A 60 60 ASP H H 94 7.499 7.881 -0.382 2
1 657 . 1 1 A 60 60 ASP HA H 94 4.550 4.583 -0.034 2
1 660 . 1 1 A 60 60 ASP CA C 94 50.380 53.381 -3.001 2
1 661 . 1 1 A 60 60 ASP CB C 94 35.220 39.616 -4.396 2
1 662 . 1 1 A 60 60 ASP N N 94 115.431 117.827 -2.396 2
1 663 . 1 1 A 61 61 VAL H H 95 8.352 8.100 0.252 2
1 664 . 1 1 A 61 61 VAL HA H 95 3.510 3.707 -0.197 2
1 672 . 1 1 A 61 61 VAL CA C 95 64.360 64.960 -0.600 2
1 673 . 1 1 A 61 61 VAL CB C 95 31.330 31.355 -0.025 2
1 676 . 1 1 A 61 61 VAL N N 95 129.573 123.316 6.257 2
1 677 . 1 1 A 62 62 ASP H H 96 7.927 7.875 0.052 2
1 678 . 1 1 A 62 62 ASP HA H 96 4.540 4.593 -0.052 2
1 681 . 1 1 A 62 62 ASP CA C 96 51.630 55.005 -3.375 2
1 682 . 1 1 A 62 62 ASP CB C 96 38.300 41.154 -2.854 2
1 683 . 1 1 A 62 62 ASP N N 96 115.789 120.624 -4.835 2
1 684 . 1 1 A 63 63 LYS H H 97 7.551 7.664 -0.113 2
1 685 . 1 1 A 63 63 LYS HA H 97 3.880 4.083 -0.203 2
1 694 . 1 1 A 63 63 LYS CA C 97 56.450 57.227 -0.777 2
1 695 . 1 1 A 63 63 LYS CB C 97 28.000 29.104 -1.103 2
1 699 . 1 1 A 63 63 LYS N N 97 115.740 115.995 -0.255 2
1 700 . 1 1 A 64 64 ASP H H 98 8.363 8.126 0.237 2
1 701 . 1 1 A 64 64 ASP HA H 98 4.660 4.711 -0.051 2
1 704 . 1 1 A 64 64 ASP CA C 98 52.060 53.008 -0.948 2
1 705 . 1 1 A 64 64 ASP CB C 98 39.500 40.652 -1.152 2
1 706 . 1 1 A 64 64 ASP N N 98 120.463 118.008 2.454 2
1 707 . 1 1 A 65 65 GLY H H 99 10.672 8.553 2.119 2
1 708 . 1 1 A 65 65 GLY HA2 H 99 3.910 4.109 -0.199 2
1 709 . 1 1 A 65 65 GLY HA3 H 99 4.320 4.377 -0.057 2
1 710 . 1 1 A 65 65 GLY CA C 99 45.160 46.247 -1.087 2
1 711 . 1 1 A 65 65 GLY N N 99 115.823 110.900 4.923 2
1 712 . 1 1 A 66 66 LEU H H 100 8.127 7.829 0.298 2
1 713 . 1 1 A 66 66 LEU HA H 100 5.150 4.984 0.166 2
1 723 . 1 1 A 66 66 LEU CA C 100 52.200 53.449 -1.249 2
1 724 . 1 1 A 66 66 LEU CB C 100 44.490 45.103 -0.613 2
1 728 . 1 1 A 66 66 LEU N N 100 123.135 121.380 1.755 2
1 729 . 1 1 A 67 67 LEU H H 101 8.729 9.105 -0.376 2
1 730 . 1 1 A 67 67 LEU HA H 101 5.810 5.123 0.687 2
1 740 . 1 1 A 67 67 LEU CA C 101 51.600 53.700 -2.101 2
1 741 . 1 1 A 67 67 LEU CB C 101 42.100 43.022 -0.922 2
1 745 . 1 1 A 67 67 LEU N N 101 121.189 123.750 -2.561 2
1 746 . 1 1 A 68 68 ASP H H 102 9.236 8.816 0.420 2
1 747 . 1 1 A 68 68 ASP HA H 102 5.620 4.917 0.703 2
1 750 . 1 1 A 68 68 ASP CA C 102 51.160 53.824 -2.664 2
1 751 . 1 1 A 68 68 ASP CB C 102 39.750 41.973 -2.223 2
1 752 . 1 1 A 68 68 ASP N N 102 124.386 125.080 -0.694 2
1 753 . 1 1 A 69 69 ASP H H 103 8.539 8.734 -0.195 2
1 754 . 1 1 A 69 69 ASP HA H 103 2.830 3.431 -0.601 2
1 757 . 1 1 A 69 69 ASP CA C 103 56.160 57.017 -0.856 2
1 758 . 1 1 A 69 69 ASP CB C 103 37.160 40.098 -2.938 2
1 759 . 1 1 A 69 69 ASP N N 103 117.423 121.603 -4.180 2
1 760 . 1 1 A 70 70 GLU H H 104 7.997 7.936 0.061 2
1 761 . 1 1 A 70 70 GLU HA H 104 4.075 4.312 -0.237 2
1 766 . 1 1 A 70 70 GLU CA C 104 58.950 59.439 -0.489 2
1 767 . 1 1 A 70 70 GLU CB C 104 29.134 29.273 -0.139 2
1 769 . 1 1 A 70 70 GLU N N 104 124.895 119.573 5.322 2
1 770 . 1 1 A 71 71 GLU H H 105 8.742 8.099 0.643 2
1 771 . 1 1 A 71 71 GLU HA H 105 4.048 4.102 -0.054 2
1 776 . 1 1 A 71 71 GLU CA C 105 58.570 59.161 -0.591 2
1 777 . 1 1 A 71 71 GLU CB C 105 30.270 29.409 0.861 2
1 779 . 1 1 A 71 71 GLU N N 105 123.465 120.365 3.100 2
1 780 . 1 1 A 72 72 PHE H H 106 9.426 8.753 0.673 2
1 781 . 1 1 A 72 72 PHE HA H 106 4.260 4.180 0.080 2
1 789 . 1 1 A 72 72 PHE CA C 106 60.000 61.574 -1.573 2
1 790 . 1 1 A 72 72 PHE CB C 106 38.440 39.349 -0.909 2
1 796 . 1 1 A 72 72 PHE N N 106 120.806 121.723 -0.917 2
1 797 . 1 1 A 73 73 ALA H H 107 8.097 8.079 0.018 2
1 798 . 1 1 A 73 73 ALA HA H 107 3.790 3.938 -0.147 2
1 802 . 1 1 A 73 73 ALA CA C 107 54.010 55.074 -1.064 2
1 803 . 1 1 A 73 73 ALA CB C 107 16.691 18.381 -1.690 2
1 804 . 1 1 A 73 73 ALA N N 107 126.845 121.232 5.613 2
1 805 . 1 1 A 74 74 LEU H H 108 8.431 8.175 0.256 2
1 806 . 1 1 A 74 74 LEU HA H 108 4.065 3.866 0.199 2
1 816 . 1 1 A 74 74 LEU CA C 108 56.811 57.756 -0.945 2
1 817 . 1 1 A 74 74 LEU CB C 108 41.090 41.492 -0.402 2
1 821 . 1 1 A 74 74 LEU N N 108 121.250 119.446 1.804 2
1 822 . 1 1 A 75 75 ALA H H 109 8.663 8.385 0.278 2
1 823 . 1 1 A 75 75 ALA HA H 109 3.660 3.993 -0.333 2
1 827 . 1 1 A 75 75 ALA CA C 109 54.220 55.673 -1.453 2
1 828 . 1 1 A 75 75 ALA CB C 109 15.220 18.204 -2.984 2
1 829 . 1 1 A 75 75 ALA N N 109 122.981 121.424 1.557 2
1 830 . 1 1 A 76 76 ASN H H 110 7.249 7.895 -0.646 2
1 831 . 1 1 A 76 76 ASN HA H 110 3.800 4.145 -0.345 2
1 836 . 1 1 A 76 76 ASN CA C 110 55.500 55.853 -0.353 2
1 837 . 1 1 A 76 76 ASN CB C 110 36.610 36.869 -0.259 2
1 838 . 1 1 A 76 76 ASN N N 110 115.681 116.276 -0.595 2
1 840 . 1 1 A 77 77 HIS H H 111 8.345 7.797 0.548 2
1 841 . 1 1 A 77 77 HIS HA H 111 4.092 4.243 -0.151 2
1 846 . 1 1 A 77 77 HIS CA C 111 59.180 59.707 -0.527 2
1 847 . 1 1 A 77 77 HIS CB C 111 30.420 30.178 0.242 2
1 850 . 1 1 A 77 77 HIS N N 111 124.686 120.838 3.848 2
1 851 . 1 1 A 78 78 LEU H H 112 8.290 8.351 -0.061 2
1 852 . 1 1 A 78 78 LEU HA H 112 3.830 3.801 0.029 2
1 862 . 1 1 A 78 78 LEU CA C 112 56.115 57.802 -1.687 2
1 863 . 1 1 A 78 78 LEU CB C 112 41.000 41.419 -0.419 2
1 867 . 1 1 A 78 78 LEU N N 112 119.085 119.297 -0.212 2
1 868 . 1 1 A 79 79 ILE H H 113 7.792 8.117 -0.325 2
1 869 . 1 1 A 79 79 ILE HA H 113 3.290 3.533 -0.243 2
1 879 . 1 1 A 79 79 ILE CA C 113 65.020 65.412 -0.392 2
1 880 . 1 1 A 79 79 ILE CB C 113 36.730 37.981 -1.251 2
1 884 . 1 1 A 79 79 ILE N N 113 121.304 120.089 1.215 2
1 885 . 1 1 A 80 80 LYS H H 114 7.537 8.173 -0.636 2
1 886 . 1 1 A 80 80 LYS HA H 114 3.830 4.029 -0.199 2
1 895 . 1 1 A 80 80 LYS CA C 114 58.970 59.026 -0.055 2
1 896 . 1 1 A 80 80 LYS CB C 114 30.470 31.807 -1.337 2
1 900 . 1 1 A 80 80 LYS N N 114 122.150 120.736 1.414 2
1 901 . 1 1 A 81 81 VAL H H 115 8.110 7.960 0.150 2
1 902 . 1 1 A 81 81 VAL HA H 115 3.740 3.595 0.145 2
1 910 . 1 1 A 81 81 VAL CA C 115 64.500 66.203 -1.702 2
1 911 . 1 1 A 81 81 VAL CB C 115 30.050 31.307 -1.257 2
1 914 . 1 1 A 81 81 VAL N N 115 118.999 119.815 -0.816 2
1 915 . 1 1 A 82 82 LYS H H 116 7.853 7.870 -0.017 2
1 916 . 1 1 A 82 82 LYS HA H 116 4.550 4.195 0.355 2
1 925 . 1 1 A 82 82 LYS CA C 116 56.000 59.806 -3.806 2
1 926 . 1 1 A 82 82 LYS CB C 116 30.340 32.183 -1.843 2
1 930 . 1 1 A 82 82 LYS N N 116 123.030 120.489 2.541 2
1 931 . 1 1 A 83 83 LEU H H 117 8.959 8.177 0.782 2
1 932 . 1 1 A 83 83 LEU HA H 117 4.090 4.047 0.043 2
1 942 . 1 1 A 83 83 LEU CA C 117 56.620 57.741 -1.121 2
1 943 . 1 1 A 83 83 LEU CB C 117 40.361 41.697 -1.337 2
1 947 . 1 1 A 83 83 LEU N N 117 125.378 120.730 4.648 2
1 948 . 1 1 A 84 84 GLU H H 118 7.817 8.071 -0.254 2
1 949 . 1 1 A 84 84 GLU HA H 118 4.164 4.304 -0.140 2
1 954 . 1 1 A 84 84 GLU CA C 118 55.600 56.375 -0.775 2
1 955 . 1 1 A 84 84 GLU CB C 118 28.600 29.889 -1.289 2
1 957 . 1 1 A 84 84 GLU N N 118 119.766 115.990 3.776 2
1 958 . 1 1 A 85 85 GLY H H 119 7.862 8.141 -0.279 2
1 959 . 1 1 A 85 85 GLY HA2 H 119 3.650 3.783 -0.133 2
1 960 . 1 1 A 85 85 GLY HA3 H 119 4.140 3.855 0.285 2
1 961 . 1 1 A 85 85 GLY CA C 119 43.690 45.640 -1.950 2
1 962 . 1 1 A 85 85 GLY N N 119 107.902 108.006 -0.104 2
1 963 . 1 1 A 86 86 HIS H H 120 7.714 7.689 0.025 2
1 964 . 1 1 A 86 86 HIS HA H 120 4.680 4.870 -0.190 2
1 969 . 1 1 A 86 86 HIS CA C 120 53.900 55.427 -1.527 2
1 970 . 1 1 A 86 86 HIS CB C 120 29.390 33.383 -3.993 2
1 972 . 1 1 A 86 86 HIS N N 120 122.124 117.261 4.863 2
1 973 . 1 1 A 87 87 GLU H H 121 8.491 8.882 -0.391 2
1 974 . 1 1 A 87 87 GLU HA H 121 4.310 4.876 -0.566 2
1 979 . 1 1 A 87 87 GLU CA C 121 54.000 55.121 -1.121 2
1 980 . 1 1 A 87 87 GLU CB C 121 29.120 32.602 -3.482 2
1 982 . 1 1 A 87 87 GLU N N 121 121.826 120.924 0.902 2
1 983 . 1 1 A 88 88 LEU H H 122 8.672 8.777 -0.105 2
1 984 . 1 1 A 88 88 LEU HA H 122 4.420 4.827 -0.408 2
1 994 . 1 1 A 88 88 LEU CA C 122 50.777 52.243 -1.466 2
1 995 . 1 1 A 88 88 LEU CB C 122 39.986 42.552 -2.566 2
1 999 . 1 1 A 88 88 LEU N N 122 125.316 123.026 2.290 2
1 1000 . 1 1 A 89 89 PRO HA H 123 4.570 4.444 0.126 2
1 1007 . 1 1 A 89 89 PRO CA C 123 60.690 63.811 -3.121 2
1 1008 . 1 1 A 89 89 PRO CB C 123 30.320 32.114 -1.794 2
1 1011 . 1 1 A 90 90 ALA H H 124 8.451 7.981 0.470 2
1 1012 . 1 1 A 90 90 ALA HA H 124 4.080 3.955 0.125 2
1 1016 . 1 1 A 90 90 ALA CA C 124 52.700 53.518 -0.818 2
1 1017 . 1 1 A 90 90 ALA CB C 124 17.760 17.825 -0.065 2
1 1018 . 1 1 A 90 90 ALA N N 124 123.603 120.202 3.401 2
1 1019 . 1 1 A 91 91 ASP H H 125 7.473 7.715 -0.242 2
1 1020 . 1 1 A 91 91 ASP HA H 125 4.640 5.181 -0.541 2
1 1023 . 1 1 A 91 91 ASP CA C 125 50.340 52.723 -2.383 2
1 1024 . 1 1 A 91 91 ASP CB C 125 42.620 44.440 -1.820 2
1 1025 . 1 1 A 91 91 ASP N N 125 115.317 116.525 -1.208 2
1 1026 . 1 1 A 92 92 LEU H H 126 8.883 8.903 -0.020 2
1 1027 . 1 1 A 92 92 LEU HA H 126 4.200 4.950 -0.750 2
1 1037 . 1 1 A 92 92 LEU CA C 126 51.930 51.410 0.520 2
1 1038 . 1 1 A 92 92 LEU CB C 126 41.032 43.781 -2.749 2
1 1042 . 1 1 A 92 92 LEU N N 126 125.329 122.842 2.487 2
1 1043 . 1 1 A 93 93 PRO HA H 127 4.870 4.527 0.343 2
1 1050 . 1 1 A 93 93 PRO CA C 127 59.820 61.788 -1.968 2
1 1051 . 1 1 A 93 93 PRO CB C 127 29.800 32.255 -2.455 2
1 1054 . 1 1 A 94 94 PRO HA H 128 4.230 4.182 0.048 2
1 1061 . 1 1 A 94 94 PRO CA C 128 64.560 65.134 -0.574 2
1 1062 . 1 1 A 94 94 PRO CB C 128 30.900 31.862 -0.962 2
1 1065 . 1 1 A 95 95 HIS H H 129 7.922 8.030 -0.108 2
1 1066 . 1 1 A 95 95 HIS HA H 129 4.650 4.575 0.075 2
1 1071 . 1 1 A 95 95 HIS CA C 129 56.810 55.963 0.847 2
1 1072 . 1 1 A 95 95 HIS CB C 129 28.100 30.154 -2.054 2
1 1075 . 1 1 A 95 95 HIS N N 129 112.757 114.580 -1.823 2
1 1076 . 1 1 A 96 96 LEU H H 130 7.709 7.758 -0.049 2
1 1077 . 1 1 A 96 96 LEU HA H 130 4.646 4.520 0.126 2
1 1087 . 1 1 A 96 96 LEU CA C 130 53.100 54.876 -1.776 2
1 1088 . 1 1 A 96 96 LEU CB C 130 42.210 43.316 -1.106 2
1 1092 . 1 1 A 96 96 LEU N N 130 121.128 119.127 2.001 2
1 1093 . 1 1 A 97 97 VAL H H 131 7.184 7.394 -0.210 2
1 1094 . 1 1 A 97 97 VAL HA H 131 3.730 4.323 -0.593 2
1 1102 . 1 1 A 97 97 VAL CA C 131 60.520 60.296 0.224 2
1 1103 . 1 1 A 97 97 VAL CB C 131 31.310 32.379 -1.069 2
1 1106 . 1 1 A 97 97 VAL N N 131 125.572 120.641 4.931 2
1 1107 . 1 1 A 98 98 PRO HA H 132 2.700 4.106 -1.406 2
1 1114 . 1 1 A 98 98 PRO CA C 132 59.400 61.628 -2.228 2
1 1115 . 1 1 A 98 98 PRO CB C 132 30.250 32.081 -1.831 2
1 1118 . 1 1 A 99 99 PRO HA H 133 3.620 4.210 -0.590 2
1 1125 . 1 1 A 99 99 PRO CA C 133 64.760 64.670 0.090 2
1 1126 . 1 1 A 99 99 PRO CB C 133 30.770 31.672 -0.902 2
1 1129 . 1 1 A 100 100 SER H H 134 9.195 8.191 1.004 2
1 1130 . 1 1 A 100 100 SER HA H 134 4.150 4.338 -0.188 2
1 1133 . 1 1 A 100 100 SER CA C 134 59.660 59.847 -0.187 2
1 1134 . 1 1 A 100 100 SER CB C 134 61.320 63.013 -1.693 2
1 1135 . 1 1 A 100 100 SER N N 134 115.005 112.893 2.112 2
1 1136 . 1 1 A 101 101 LYS H H 135 7.867 7.601 0.266 2
1 1137 . 1 1 A 101 101 LYS HA H 135 4.480 4.453 0.027 2
1 1146 . 1 1 A 101 101 LYS CA C 135 52.490 55.702 -3.212 2
1 1147 . 1 1 A 101 101 LYS CB C 135 30.600 32.883 -2.283 2
1 1151 . 1 1 A 101 101 LYS N N 135 121.053 119.322 1.731 2
1 1152 . 1 1 A 102 102 ARG H H 136 7.077 7.487 -0.410 2
1 1153 . 1 1 A 102 102 ARG HA H 136 4.110 4.578 -0.468 2
1 1164 . 1 1 A 102 102 ARG CA C 136 55.440 55.547 -0.107 2
1 1165 . 1 1 A 102 102 ARG CB C 136 29.100 31.621 -2.521 2
1 1168 . 1 1 A 102 102 ARG N N 136 121.939 119.466 2.473 2
1 1169 . 1 1 A 103 103 ARG H H 137 8.289 8.684 -0.395 2
1 1170 . 1 1 A 103 103 ARG HA H 137 4.300 4.798 -0.498 2
1 1181 . 1 1 A 103 103 ARG CA C 137 54.100 55.313 -1.213 2
1 1182 . 1 1 A 103 103 ARG CB C 137 29.700 32.311 -2.611 2
1 1185 . 1 1 A 103 103 ARG N N 137 123.504 123.342 0.162 2
1 1186 . 1 1 A 104 104 HIS H H 138 8.370 8.806 -0.436 2
1 1187 . 1 1 A 104 104 HIS HA H 138 4.678 5.184 -0.506 2
1 1192 . 1 1 A 104 104 HIS CA C 138 54.110 54.383 -0.273 2
1 1193 . 1 1 A 104 104 HIS CB C 138 28.730 31.973 -3.243 2
stop_
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