data_2mwa_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mwa _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.764 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 21.1 m95 . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.934 -0.395 . . . . 15.0 109.934 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 90.8 m -89.47 126.19 35.48 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -89.25 110.52 21.27 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.707 -1.22 . . . . 15.0 107.707 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -130.9 89.86 2.81 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.88 -161.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 99.1 mttt -131.74 134.23 45.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.412 -168.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.9 p -137.77 150.22 47.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.672 . . . . 15.0 109.187 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.49 -4.23 2.66 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.961 0.41 . . . . 15.0 111.726 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.43 -2.71 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.473 0.654 . . . . 15.0 110.298 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 60.04 1.44 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.715 -0.675 . . . . 15.0 111.546 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 23.4 ttmm -128.39 112.8 14.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.053 -0.351 . . . . 15.0 110.053 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 78.4 m -121.38 89.96 3.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.874 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -123.54 129.52 51.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.293 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.702 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 60.2 m-85 -120.72 94.45 4.36 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.574 169.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -89.56 121.42 31.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.297 -0.865 . . . . 15.0 110.688 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.3 t30 -138.7 150.58 46.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.649 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.582 ' HA ' HD22 ' A' ' 453' ' ' LEU . 27.0 p30 -85.72 4.46 36.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.497 -163.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.764 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 10.9 mtp180 -31.62 -76.11 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.57 1.169 . . . . 15.0 111.772 170.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.625 HG21 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -120.09 0.59 10.75 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.859 -1.163 . . . . 15.0 107.859 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.582 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.7 mt 83.98 49.13 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 113.284 -1.78 . . . . 15.0 107.433 -158.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.625 ' HB2' HG21 ' A' ' 452' ' ' THR . 53.7 tt0 -89.83 110.65 21.57 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 113.763 -1.562 . . . . 15.0 108.937 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.463 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 63.0 m -93.21 111.03 22.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.845 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.9 OUTLIER -95.62 109.29 21.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.319 0.581 . . . . 15.0 110.926 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.874 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 57.4 m95 -99.39 -1.56 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.48 1.133 . . . . 15.0 108.478 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -108.7 130.01 55.35 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.287 -1.779 . . . . 15.0 107.027 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -59.94 118.66 34.38 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 15.0 111.539 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.462 -0.365 0 C-N-CA 122.901 2.401 . . . . 15.0 111.728 177.444 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.677 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 12.0 m95 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 96.4 m -89.59 130.87 35.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.874 -0.787 . . . . 15.0 108.874 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -89.05 111.24 21.93 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 124.902 1.376 . . . . 15.0 107.728 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.72 89.89 2.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.499 -1.228 . . . . 15.0 108.109 -162.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 85.7 mttt -136.91 135.39 37.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.838 -169.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.522 ' HG1' ' HB3' ' A' ' 444' ' ' LYS . 3.2 p -148.3 150.53 33.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.041 -0.726 . . . . 15.0 109.041 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -10.35 3.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.849 0.357 . . . . 15.0 111.902 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -11.24 5.39 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.678 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 32.69 9.46 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.774 -0.93 . . . . 15.0 110.774 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.0 ttmp? -99.64 110.26 22.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.962 -0.619 . . . . 15.0 109.95 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 83.3 m -116.24 91.1 3.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.854 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.0 tp -122.71 122.46 38.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 15.0 111.966 -171.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.426 ' N ' HD12 ' A' ' 446' ' ' LEU . 20.6 m-85 -108.36 90.24 3.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.12 168.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -89.69 118.02 28.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.901 0.382 . . . . 15.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.677 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 29.7 t30 -139.32 150.39 45.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.247 0.546 . . . . 15.0 110.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.878 ' HA ' HD21 ' A' ' 453' ' ' LEU . 8.1 p30 -92.29 6.3 47.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.985 -163.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.612 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 34.1 mtp180 -27.44 -77.24 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.732 1.27 . . . . 15.0 111.427 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 6.9 t -120.09 0.76 10.79 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.75 -1.574 . . . . 15.0 106.75 169.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.878 HD21 ' HA ' ' A' ' 450' ' ' ASN . 1.8 mt 83.62 75.2 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.647 -2.07 . . . . 15.0 108.757 -159.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -114.68 111.44 21.31 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.835 -1.53 . . . . 15.0 108.993 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.0 m -102.16 106.32 17.16 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.681 -0.691 . . . . 15.0 109.698 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.3 106.72 18.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.034 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.854 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.1 m95 -94.42 -3.03 50.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.422 1.106 . . . . 15.0 109.102 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.38 133.87 52.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.325 -1.761 . . . . 15.0 106.531 163.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.46 118.37 56.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 112.274 0.472 . . . . 15.0 112.274 -167.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo . . . . . 0 C--N 1.347 0.47 0 C-N-CA 123.114 2.542 . . . . 15.0 112.417 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.647 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 41.6 m95 . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 109.034 -0.728 . . . . 15.0 109.034 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.7 m -89.41 132.24 35.09 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.815 -0.809 . . . . 15.0 108.815 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -89.05 95.96 10.53 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.389 -1.338 . . . . 15.0 107.389 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.75 89.68 3.17 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.678 -1.601 . . . . 15.0 107.68 -163.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 94.3 mttt -137.8 134.8 35.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.393 -168.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.845 ' HG1' ' HB3' ' A' ' 442' ' ' ASP . 55.7 p -139.04 150.81 46.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -5.73 1.3 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.424 0.63 . . . . 15.0 111.113 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.845 ' HB3' ' HG1' ' A' ' 440' ' ' THR . 0.2 OUTLIER -67.63 -9.42 42.98 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.037 -0.983 . . . . 15.0 110.588 170.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 32.53 9.74 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.601 -0.599 . . . . 15.0 111.601 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.9 ttmp? -96.1 113.65 25.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.491 -0.355 . . . . 15.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 87.3 m -114.86 91.59 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.708 -0.479 . . . . 15.0 109.708 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.863 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.2 tp -127.44 125.77 41.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.486 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 446' ' ' LEU . 47.5 m-85 -110.98 89.85 3.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.418 -0.81 . . . . 15.0 109.037 169.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -89.87 118.55 29.54 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.968 -0.56 . . . . 15.0 111.597 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.724 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -133.46 150.4 51.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 15.0 110.268 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.654 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -88.01 5.45 40.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.347 -166.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.724 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 42.6 mtt180 -28.59 -77.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.727 1.267 . . . . 15.0 111.831 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 69.9 p -120.08 0.67 10.77 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.01 -1.45 . . . . 15.0 107.172 171.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.7 mt 79.88 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.839 -1.982 . . . . 15.0 107.632 -154.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.409 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 33.7 tt0 -110.32 103.18 11.81 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.492 -1.686 . . . . 15.0 108.715 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.5 m -100.23 109.44 21.68 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.08 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.421 ' HB ' ' HG3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -94.1 113.95 26.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.467 -178.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.863 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -97.54 6.23 48.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.275 1.036 . . . . 15.0 110.033 -178.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.06 136.05 54.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.413 -1.721 . . . . 15.0 106.584 165.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mtmm -59.85 115.99 15.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 117.928 0.331 . . . . 15.0 111.517 -171.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.421 ' HG3' ' HB ' ' A' ' 456' ' ' THR . 2.9 Cg_exo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 123.112 2.541 . . . . 15.0 112.427 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.764 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 26.1 m95 . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 109.813 -0.44 . . . . 15.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 71.3 m -89.22 125.27 35.01 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.654 -1.239 . . . . 15.0 107.654 176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.32 104.05 16.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.577 -1.268 . . . . 15.0 107.577 -171.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -122.46 89.96 3.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.178 -1.374 . . . . 15.0 109.061 -161.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 43.1 mttm -131.28 140.72 49.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.609 -1.178 . . . . 15.0 110.293 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.422 ' CG2' ' HB3' ' A' ' 444' ' ' LYS . 0.5 OUTLIER -150.05 149.08 29.82 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 176.577 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.91 -6.27 7.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.126 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.57 -0.32 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.088 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.77 -0.65 . . . . 15.0 112.64 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 ttmt -148.67 122.33 9.22 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.851 -0.205 . . . . 15.0 110.805 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 94.0 m -128.63 96.25 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 15.0 109.897 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.875 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.4 tp -127.52 136.51 51.83 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.732 -0.667 . . . . 15.0 111.0 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.641 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 97.4 m-85 -120.72 90.04 3.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.609 169.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -89.95 121.39 32.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.466 -0.788 . . . . 15.0 111.353 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.665 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 30.3 t30 -136.78 150.44 48.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.117 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.743 ' HA ' HD22 ' A' ' 453' ' ' LEU . 4.2 p-10 -87.45 7.6 28.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.158 -166.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.764 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 14.8 mtp180 -28.7 -75.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.575 1.172 . . . . 15.0 111.731 165.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 82.7 p -120.23 0.8 10.72 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 169.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 81.06 48.02 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 113.246 -1.797 . . . . 15.0 107.51 -157.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -89.9 121.5 32.07 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 113.686 -1.597 . . . . 15.0 108.786 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.5 m -109.37 104.2 13.27 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.343 -0.844 . . . . 15.0 109.889 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m -92.06 121.69 33.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.072 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.875 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 69.9 m95 -106.74 -3.54 20.38 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.626 0.727 . . . . 15.0 110.33 -176.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.31 131.77 52.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.828 -1.545 . . . . 15.0 106.828 164.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -61.01 119.45 45.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 15.0 112.083 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 N--CA 1.461 -0.419 0 C-N-CA 123.051 2.501 . . . . 15.0 112.235 179.078 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.621 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 8.2 m95 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 39.3 m -89.7 129.33 36.14 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -89.25 100.57 13.32 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 107.573 -1.269 . . . . 15.0 107.573 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -118.93 90.02 3.25 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.338 -1.755 . . . . 15.0 107.227 -163.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -136.32 132.91 36.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.045 -0.979 . . . . 15.0 110.645 -165.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.9 p -135.13 150.23 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.125 -0.324 . . . . 15.0 110.125 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.24 -6.05 1.91 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 15.0 111.405 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.05 -6.7 49.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.505 -0.77 . . . . 15.0 110.085 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 63.68 1.25 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.652 -0.579 . . . . 15.0 111.652 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.4 ttmp? -130.23 113.05 13.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.45 . . . . 15.0 110.073 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 94.6 m -116.2 89.78 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 174.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.859 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -124.9 126.63 45.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.097 0.475 . . . . 15.0 111.839 -172.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.838 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 8.1 m-85 -111.73 92.27 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.681 168.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.8 116.12 27.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 15.0 110.682 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.683 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 36.7 t30 -134.63 150.51 50.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.599 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.78 ' HA ' HD22 ' A' ' 453' ' ' LEU . 9.1 p30 -88.08 -0.2 56.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.079 -163.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.683 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 51.6 mtp180 -24.16 -80.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.872 1.358 . . . . 15.0 112.001 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 7.5 t -117.62 0.76 12.14 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.687 -1.598 . . . . 15.0 106.687 167.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mt 84.77 74.93 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 112.646 -2.07 . . . . 15.0 108.384 -159.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -116.52 112.43 21.36 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 113.729 -1.578 . . . . 15.0 108.839 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 70.4 m -102.03 105.07 15.77 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.288 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.838 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 7.2 p -91.14 116.8 29.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.522 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.859 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 60.4 m95 -99.54 5.58 46.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.397 1.094 . . . . 15.0 108.588 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.43 124.1 46.84 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.211 -1.813 . . . . 15.0 107.123 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 459' ' ' LYS . 8.8 mtmp? -62.7 119.27 49.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.662 0.615 . . . . 15.0 112.662 -168.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 C--N 1.347 0.463 0 C-N-CA 123.539 2.826 . . . . 15.0 112.632 177.693 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 4.8 m95 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.055 -0.72 . . . . 15.0 109.055 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 30.0 m -89.01 120.96 30.9 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.979 -1.489 . . . . 15.0 106.979 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.44 102.32 15.0 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.422 -1.325 . . . . 15.0 107.422 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.684 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.82 91.31 3.53 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 113.715 -1.584 . . . . 15.0 108.326 -159.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.1 mttm -120.45 118.54 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.75 -1.113 . . . . 15.0 111.001 -168.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.566 ' OG1' ' HE2' ' A' ' 444' ' ' LYS . 30.9 p -134.23 150.51 51.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.664 -0.495 . . . . 15.0 109.664 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.98 -7.43 1.75 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.51 -7.83 22.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.675 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.62 8.09 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.636 -0.985 . . . . 15.0 110.636 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.566 ' HE2' ' OG1' ' A' ' 440' ' ' THR . 14.4 ttmm -97.42 112.41 24.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.578 . . . . 15.0 111.086 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 0.7 OUTLIER -114.29 89.6 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.778 169.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.843 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.0 tp -119.89 127.25 52.54 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.952 0.406 . . . . 15.0 110.959 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.489 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 38.3 m-85 -116.64 89.88 3.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.352 169.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -92.01 122.06 34.17 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.122 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.748 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -139.67 150.43 44.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.147 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.872 ' HA ' HD23 ' A' ' 453' ' ' LEU . 26.7 p-10 -90.65 6.99 41.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.498 -166.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.748 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.5 mtt180 -34.76 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.154 0.908 . . . . 15.0 110.73 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 23.6 p -120.13 0.68 10.75 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.242 -1.345 . . . . 15.0 109.064 173.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 73.76 51.22 0.12 Allowed 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 113.873 -1.512 . . . . 15.0 108.433 -159.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.1 108.23 19.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.846 -1.525 . . . . 15.0 108.89 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 m -97.01 101.63 13.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.057 -0.72 . . . . 15.0 109.057 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 458' ' ' GLU . 7.2 m -97.25 123.87 41.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.296 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.843 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 65.4 m95 -106.36 -0.17 24.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.706 0.765 . . . . 15.0 110.57 -172.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.427 ' O ' HG22 ' A' ' 456' ' ' THR . 45.2 mt-10 -113.52 127.57 56.13 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 165.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.475 ' HB2' ' HZ2' ' A' ' 459' ' ' LYS . 8.6 mtmp? -59.87 119.29 39.82 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 112.889 0.7 . . . . 15.0 112.889 -163.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.46 -0.487 0 C-N-CA 123.244 2.629 . . . . 15.0 111.889 177.544 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.75 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 6.7 m95 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 86.0 m -89.63 129.79 36.02 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.487 -0.931 . . . . 15.0 108.487 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 2.1 mm-40 -89.18 108.09 19.41 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.974 1.421 . . . . 15.0 108.386 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.77 89.83 2.49 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 -162.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.696 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 54.5 mttp -136.61 114.32 11.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.949 -170.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 442' ' ' ASP . 40.8 p -119.07 150.42 40.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.651 -0.5 . . . . 15.0 109.651 174.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.75 15.31 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.454 0.539 . . . . 15.0 112.454 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 440' ' ' THR . 36.1 t70 -97.23 8.88 43.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.698 . . . . 15.0 109.331 176.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.4 34.89 7.72 Favored Glycine 0 N--CA 1.453 -0.211 0 CA-C-N 115.664 -0.698 . . . . 15.0 112.469 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.696 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.2 ttmt -107.1 106.88 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.582 0.23 . . . . 15.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.465 HG22 ' HE3' ' A' ' 439' ' ' LYS . 39.5 m -117.31 89.95 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.05 -0.722 . . . . 15.0 109.05 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.829 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.7 tp -123.44 126.96 47.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 15.0 111.827 -170.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.693 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 14.2 m-85 -113.46 90.17 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.343 170.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -89.63 121.29 31.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.169 -0.468 . . . . 15.0 111.278 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.464 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.4 t30 -133.14 150.52 52.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 15.0 111.603 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.731 ' HA ' HD22 ' A' ' 453' ' ' LEU . 9.0 p30 -89.6 3.38 52.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.079 -0.964 . . . . 15.0 110.621 -167.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.75 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 5.0 mtp180 -36.11 -72.98 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.002 0.814 . . . . 15.0 111.613 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.8 p -119.78 0.52 10.91 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 80.97 40.91 0.06 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 113.706 -1.588 . . . . 15.0 107.739 -159.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.408 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 73.5 tt0 -89.74 117.85 28.91 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 113.551 -1.658 . . . . 15.0 108.968 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 65.5 m -108.88 114.91 29.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.513 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.693 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 20.7 p -91.82 119.14 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.741 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.829 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.6 m95 -99.62 2.67 44.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.11 0.957 . . . . 15.0 109.436 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -110.4 132.2 54.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.092 -1.413 . . . . 15.0 107.203 162.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -66.96 117.67 47.82 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.338 0.496 . . . . 15.0 112.338 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 123.662 2.908 . . . . 15.0 112.731 -179.445 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.69 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.9 m95 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.014 -0.736 . . . . 15.0 109.014 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.0 m -89.47 129.32 35.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -89.29 94.12 9.79 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.185 -1.413 . . . . 15.0 107.185 -175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -115.38 89.68 3.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.81 -1.552 . . . . 15.0 106.81 -163.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 87.5 mttt -138.0 119.28 14.65 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.503 -163.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 442' ' ' ASP . 32.7 p -140.77 150.79 43.82 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.24 1.11 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.004 0.431 . . . . 15.0 112.067 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 440' ' ' THR . 0.6 OUTLIER -66.82 -10.33 46.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.471 0.708 . . . . 15.0 110.463 170.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.38 11.03 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.672 -0.971 . . . . 15.0 110.672 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HB2' ' HZ2' ' A' ' 444' ' ' LYS . 4.3 ttmp? -100.49 107.22 18.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.087 -0.556 . . . . 15.0 111.022 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 52.2 m -112.64 89.95 3.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.862 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.9 tp -128.84 125.92 38.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.764 -0.653 . . . . 15.0 111.604 -167.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.4 m-85 -113.62 90.15 3.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.459 170.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -90.45 119.63 30.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.984 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.69 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 38.8 t30 -135.23 150.2 50.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 15.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.717 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.2 p-10 -85.4 -0.85 56.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.685 -165.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.658 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 18.6 mtp180 -32.64 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.247 0.967 . . . . 15.0 111.849 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.0 p -119.96 0.58 10.82 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.516 -1.22 . . . . 15.0 108.495 174.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mt 74.5 47.42 0.13 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 113.702 -1.59 . . . . 15.0 108.136 -161.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 29.0 tt0 -89.59 113.8 25.29 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.037 -1.438 . . . . 15.0 109.308 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.421 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 57.2 m -97.35 108.69 21.46 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.46 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.7 116.9 29.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.1 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.862 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 71.4 m95 -103.39 3.34 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.174 0.987 . . . . 15.0 110.156 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -111.14 150.1 29.94 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.781 -1.554 . . . . 15.0 106.915 163.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -76.87 116.45 57.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.584 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 123.378 2.719 . . . . 15.0 112.06 179.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.454 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 23.2 m95 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.523 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 23.7 m -89.73 128.75 36.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 176.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.33 92.45 9.16 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.424 -1.325 . . . . 15.0 107.424 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.49 89.93 3.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.539 -1.664 . . . . 15.0 108.957 -162.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.501 ' HD2' HG21 ' A' ' 445' ' ' THR . 19.3 mtmm -143.61 138.25 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.413 -171.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.523 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 36.5 p -130.4 150.37 51.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.63 -6.94 6.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -87.5 12.92 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.386 0.613 . . . . 15.0 110.245 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 69.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.011 -0.614 . . . . 15.0 112.925 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.523 ' HB3' ' H ' ' A' ' 440' ' ' THR . 23.5 ttmm -144.6 127.4 16.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.501 HG21 ' HD2' ' A' ' 439' ' ' LYS . 93.6 m -136.92 93.86 2.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.408 0.623 . . . . 15.0 109.827 172.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.4 tp -126.12 129.4 49.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.949 . . . . 15.0 110.733 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.3 m-85 -117.99 91.81 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.383 0.611 . . . . 15.0 109.459 169.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -89.84 124.74 34.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.824 -1.08 . . . . 15.0 111.51 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.762 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.4 t30 -138.26 150.65 46.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.501 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.564 ' HA ' HD21 ' A' ' 453' ' ' LEU . 6.6 p30 -87.28 5.05 40.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 15.0 110.349 -167.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.762 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 36.7 mtt180 -31.51 -77.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.666 1.228 . . . . 15.0 111.689 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -120.07 0.98 10.84 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.451 -1.314 . . . . 15.0 107.451 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.564 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 86.55 51.85 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.031 -1.895 . . . . 15.0 107.694 -158.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -89.88 101.94 14.65 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.496 -1.684 . . . . 15.0 108.639 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.7 m -101.02 112.0 24.34 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.8 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.2 p -91.65 112.95 25.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.7 m95 -99.88 -2.55 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.108 0.956 . . . . 15.0 108.58 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.91 134.75 54.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 105.899 -1.889 . . . . 15.0 105.899 162.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.651 ' HZ2' ' HB2' ' A' ' 459' ' ' LYS . 9.4 mtmp? -60.2 126.56 84.35 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 15.0 112.919 -164.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.343 0.245 0 C-N-CA 123.239 2.626 . . . . 15.0 111.382 174.72 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.714 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 7.0 m95 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.063 -0.717 . . . . 15.0 109.063 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.8 m -89.51 135.22 33.72 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.051 -0.352 . . . . 15.0 110.051 -173.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.22 107.89 19.31 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.23 1.581 . . . . 15.0 108.007 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.632 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -134.12 90.02 2.63 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.853 -1.067 . . . . 15.0 108.152 -162.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 58.4 mttm -135.6 126.01 26.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 15.0 111.457 -168.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.0 p -139.52 150.55 45.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.79 -0.448 . . . . 15.0 109.79 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -3.68 1.26 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.33 0.586 . . . . 15.0 111.123 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.97 -5.9 34.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.53 -0.759 . . . . 15.0 110.541 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 56.18 1.86 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.782 -0.927 . . . . 15.0 110.782 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 13.9 ttmm -133.61 115.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 15.0 110.657 -173.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 39.0 m -127.61 90.34 3.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 171.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.7 tp -117.19 128.79 55.45 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.085 -173.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.87 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 34.7 m-85 -108.35 89.78 3.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.186 166.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -89.84 115.62 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.177 -0.919 . . . . 15.0 111.195 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.726 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -130.7 150.21 51.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 15.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.743 ' HA ' HD21 ' A' ' 453' ' ' LEU . 29.9 p30 -89.84 4.76 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.619 -166.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.726 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 21.4 mtp180 -35.95 -75.78 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.102 0.876 . . . . 15.0 111.323 169.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.476 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.9 p -120.17 0.84 10.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.359 -1.291 . . . . 15.0 108.572 174.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.2 mt 75.26 45.76 0.13 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 113.819 -1.537 . . . . 15.0 108.238 -161.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 34.2 tt0 -89.76 119.12 29.88 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.166 -1.379 . . . . 15.0 108.433 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.66 14.57 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.351 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.87 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 15.3 p -94.58 117.46 30.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.055 -0.52 . . . . 15.0 110.568 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 53.5 m95 -99.37 4.17 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.848 1.309 . . . . 15.0 108.205 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 2.4 pt-20 -117.81 132.19 56.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.661 -2.063 . . . . 15.0 106.977 166.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 35.0 mtpt -60.03 128.84 87.7 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 113.02 0.748 . . . . 15.0 113.02 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 N--CA 1.45 -1.032 0 C-N-CA 123.372 2.715 . . . . 15.0 111.214 175.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.795 ' HH2' HH11 ' A' ' 451' ' ' ARG . 9.2 m95 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 87.5 m -89.44 131.56 35.43 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 109.535 -0.543 . . . . 15.0 109.535 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.13 106.81 18.68 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 125.081 1.488 . . . . 15.0 108.313 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -132.42 89.97 2.73 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.34 -1.754 . . . . 15.0 108.151 -162.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.765 ' HE3' HG22 ' A' ' 445' ' ' THR . 65.3 mttp -138.03 136.63 37.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.174 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 75.0 p -131.41 150.1 52.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.325 -0.62 . . . . 15.0 109.325 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.97 14.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.436 0.532 . . . . 15.0 112.436 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -82.46 5.27 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 15.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 69.54 1.22 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.466 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 19.8 ttmm -134.69 108.8 8.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.765 HG22 ' HE3' ' A' ' 439' ' ' LYS . 36.9 m -115.16 91.1 3.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.064 0.459 . . . . 15.0 110.026 176.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.1 tp -120.52 126.99 51.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.933 -0.576 . . . . 15.0 111.496 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.443 ' N ' HD12 ' A' ' 446' ' ' LEU . 8.7 m-85 -110.19 89.75 3.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.548 -0.751 . . . . 15.0 108.982 168.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -90.18 120.9 31.73 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.092 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.707 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.0 t30 -136.72 150.36 48.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 15.0 111.451 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.613 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.7 p-10 -86.04 -1.0 56.95 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.894 -167.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.795 HH11 ' HH2' ' A' ' 435' ' ' TRP . 13.9 mtp180 -39.0 -73.71 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.902 0.858 . . . . 15.0 111.917 170.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.611 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 1.2 p -120.18 0.74 10.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.453 -1.249 . . . . 15.0 109.278 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 70.4 48.51 0.47 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.598 -159.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.611 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 10.1 tt0 -89.59 116.68 27.92 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.827 -1.533 . . . . 15.0 108.639 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.461 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.9 m -102.23 100.29 10.48 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.285 -0.87 . . . . 15.0 109.744 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.71 100.18 12.94 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.27 -177.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 67.7 m95 -88.52 2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.172 0.987 . . . . 15.0 109.415 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -110.33 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.669 -1.605 . . . . 15.0 107.108 165.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -72.37 114.83 33.15 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 120.862 0.363 . . . . 15.0 111.976 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 CA--C 1.534 0.517 0 C-N-CA 123.19 2.593 . . . . 15.0 113.941 -176.818 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.889 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 13.8 m95 . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 107.949 -1.13 . . . . 15.0 107.949 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.676 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.3 m -89.2 129.57 35.76 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.934 -0.765 . . . . 15.0 108.934 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.23 92.35 9.14 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -109.2 89.99 3.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.833 -1.985 . . . . 15.0 107.738 -165.192 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -132.12 126.98 35.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.348 -167.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.594 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 19.9 p -127.81 150.43 49.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.01 -21.11 60.91 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.523 0.515 . . . . 15.0 112.108 -172.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -91.87 63.73 4.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.987 0.422 . . . . 15.0 110.479 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 54.14 70.03 1.06 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.733 -0.667 . . . . 15.0 114.678 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.7 ttmp? -138.88 108.7 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.291 0.546 . . . . 15.0 110.589 172.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 27.2 m -119.16 90.0 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 172.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.859 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.5 tp -125.85 133.17 52.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.187 -172.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.676 ' HA ' ' O ' ' A' ' 436' ' ' THR . 59.1 m-85 -117.28 89.99 3.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.952 0.406 . . . . 15.0 110.255 169.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -89.7 123.5 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.787 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.889 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 18.2 t30 -137.3 150.07 47.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.758 -0.201 . . . . 15.0 111.431 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.47 ' HA ' HD22 ' A' ' 453' ' ' LEU . 30.8 p30 -81.47 -9.49 59.7 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.05 0.452 . . . . 15.0 110.647 -171.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.509 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 20.3 mtt180 -41.5 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.247 -0.888 . . . . 15.0 112.671 167.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.755 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 0.3 OUTLIER -120.12 0.38 10.7 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.039 -177.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 57.03 39.85 29.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 -155.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.755 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 24.9 tt0 -89.83 122.6 33.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 112.98 -1.918 . . . . 15.0 107.909 -172.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.609 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 97.3 p -117.03 106.04 12.95 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.975 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.478 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 10.6 p -90.03 127.73 36.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.316 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.859 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.5 m95 -106.41 1.08 25.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.576 1.179 . . . . 15.0 108.794 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.57 134.74 53.94 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.029 -1.896 . . . . 15.0 107.414 163.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.62 124.07 88.37 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.709 -0.397 . . . . 15.0 111.835 -173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo . . . . . 0 C--N 1.345 0.378 0 C-N-CA 123.395 2.73 . . . . 15.0 112.491 -179.424 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.735 ' HH2' HH11 ' A' ' 451' ' ' ARG . 4.0 m95 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 109.717 -0.475 . . . . 15.0 109.717 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 61.0 m -89.78 123.66 33.97 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.281 -1.007 . . . . 15.0 108.281 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -89.11 104.98 17.49 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.224 -1.399 . . . . 15.0 107.224 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.488 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.5 90.07 3.25 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.419 -1.264 . . . . 15.0 108.03 -162.194 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 96.5 mttt -125.08 131.06 53.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.415 -170.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.437 HG23 ' HB3' ' A' ' 444' ' ' LYS . 2.0 t -150.2 150.29 31.39 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.04 -5.67 1.1 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.515 0.51 . . . . 15.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.26 -10.07 51.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.352 0.596 . . . . 15.0 110.502 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 48.05 3.69 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.544 -0.623 . . . . 15.0 111.544 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.681 ' HZ1' ' HB2' ' A' ' 444' ' ' LYS . 4.8 ttmp? -119.26 120.45 37.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.591 -0.305 . . . . 15.0 110.513 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 80.5 m -125.27 89.99 3.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.187 -0.671 . . . . 15.0 109.187 173.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.876 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.6 tp -125.37 130.69 52.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.263 -171.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 436' ' ' THR . 14.4 m-85 -116.13 89.87 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.99 -0.55 . . . . 15.0 109.645 170.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.61 122.96 33.24 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.069 -0.514 . . . . 15.0 111.028 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.677 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.1 t30 -137.88 150.42 47.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.114 0.483 . . . . 15.0 111.638 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.75 ' HA ' HD22 ' A' ' 453' ' ' LEU . 8.9 p30 -86.94 0.86 54.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.223 -0.898 . . . . 15.0 110.581 -167.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.735 HH11 ' HH2' ' A' ' 435' ' ' TRP . 21.6 mtp180 -35.02 -74.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 O-C-N 124.233 0.958 . . . . 15.0 111.523 171.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 20.3 p -120.01 0.5 10.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.731 -1.122 . . . . 15.0 108.401 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 450' ' ' ASN . 2.8 mt 77.83 43.06 0.1 Allowed 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 113.608 -1.633 . . . . 15.0 108.381 -160.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.472 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 31.5 tt0 -89.71 116.67 28.0 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 114.065 -1.425 . . . . 15.0 108.456 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 24.6 m -104.79 111.02 23.6 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.859 -178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.92 116.13 27.75 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.324 0.583 . . . . 15.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.876 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.1 m95 -98.33 10.48 40.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.681 1.229 . . . . 15.0 108.506 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.667 -2.06 . . . . 15.0 107.36 169.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.593 ' HB3' ' HZ3' ' A' ' 459' ' ' LYS . 9.5 mtpm? -65.17 124.8 87.88 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -173.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 95.0 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 C-N-CA 123.64 2.893 . . . . 15.0 112.426 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.828 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 9.3 m95 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.1 m -89.45 124.96 34.96 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.33 100.55 13.32 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 89.82 3.21 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.711 -1.586 . . . . 15.0 108.958 -161.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.9 mttp -124.74 123.92 41.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.534 -0.757 . . . . 15.0 110.431 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 442' ' ' ASP . 77.0 p -115.9 150.39 37.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.658 -0.497 . . . . 15.0 109.658 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 3.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 15.0 111.87 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.7 t70 -89.26 -2.13 58.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.674 . . . . 15.0 109.732 174.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 52.1 2.6 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.211 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.7 ttmt -114.69 119.32 36.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 57.1 m -120.06 92.57 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 15.0 109.983 174.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.884 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.3 tp -127.39 137.74 52.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.024 -172.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.736 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 75.5 m-85 -124.34 89.75 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.404 0.621 . . . . 15.0 110.083 172.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -89.71 120.74 31.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.466 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.692 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 23.3 t30 -131.03 150.25 52.23 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.99 0.424 . . . . 15.0 111.41 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.704 ' HA ' HD22 ' A' ' 453' ' ' LEU . 5.1 p-10 -89.07 8.3 30.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.848 -167.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.828 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 8.7 mtp180 -38.0 -75.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.936 0.773 . . . . 15.0 110.785 165.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 55.2 p -120.17 0.6 10.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.479 171.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 80.35 40.18 0.08 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.41 -1.268 . . . . 15.0 107.995 -162.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.455 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 39.4 tt0 -90.11 114.76 26.75 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.885 -1.507 . . . . 15.0 109.161 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.7 m -97.19 111.63 23.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.427 -0.806 . . . . 15.0 110.589 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.736 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 21.7 p -92.58 110.85 22.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.508 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.884 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 62.8 m95 -93.33 0.87 57.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.083 0.944 . . . . 15.0 109.278 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.47 135.78 54.61 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.957 -1.498 . . . . 15.0 106.957 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 49.8 mtpt -60.43 126.75 85.34 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 112.665 0.617 . . . . 15.0 112.665 -169.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 65.2 Cg_endo . . . . . 0 N--CA 1.457 -0.661 0 C-N-CA 123.325 2.683 . . . . 15.0 112.178 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.63 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 24.4 m95 . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.546 -0.539 . . . . 15.0 109.546 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 50.6 m -89.45 133.57 34.49 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -88.99 105.14 17.59 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 124.946 1.404 . . . . 15.0 108.737 -174.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.25 89.7 2.9 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 113.206 -1.815 . . . . 15.0 107.244 -163.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.694 ' HE3' HG22 ' A' ' 445' ' ' THR . 62.3 mttp -138.32 133.1 32.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.749 -169.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.875 HG23 ' HE2' ' A' ' 444' ' ' LYS . 40.1 p -126.97 150.25 49.48 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.97 -0.382 . . . . 15.0 109.97 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.09 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 15.0 110.742 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.67 1.05 13.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.977 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 69.97 1.22 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.341 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.875 ' HE2' HG23 ' A' ' 440' ' ' THR . 38.6 ttpt -138.11 112.88 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.108 -0.33 . . . . 15.0 110.108 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.694 HG22 ' HE3' ' A' ' 439' ' ' LYS . 22.5 m -116.58 89.89 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 15.0 109.62 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.876 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -127.09 131.36 50.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.054 0.454 . . . . 15.0 112.001 -170.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.544 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 14.2 m-85 -114.19 89.74 3.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.334 171.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.44 ' CE1' HD21 ' A' ' 453' ' ' LEU . 37.8 t80 -89.92 121.03 31.65 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.77 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.823 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 52.6 t30 -138.14 150.19 46.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.486 -0.486 . . . . 15.0 111.909 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.964 ' HA ' HD23 ' A' ' 453' ' ' LEU . 25.0 p30 -88.14 3.66 48.38 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.182 -0.917 . . . . 15.0 110.696 -165.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.823 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 32.3 mtt180 -38.4 -73.41 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.691 -1.141 . . . . 15.0 111.342 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 45.2 p -120.11 0.42 10.71 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.925 -1.034 . . . . 15.0 108.787 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.2 mt 70.66 51.0 0.34 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 113.756 -1.566 . . . . 15.0 109.468 -162.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.35 116.91 32.6 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.517 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.607 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 99.3 p -92.55 110.21 21.63 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.846 -0.798 . . . . 15.0 108.846 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 132.79 36.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.501 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.876 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.8 m95 -117.55 2.1 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.002 0.906 . . . . 15.0 109.442 -177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.87 125.32 48.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.128 -1.396 . . . . 15.0 108.181 167.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.717 ' HB3' ' HZ3' ' A' ' 459' ' ' LYS . 7.1 mtpm? -61.73 128.56 90.49 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -171.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.454 -0.801 0 C-N-CA 123.063 2.508 . . . . 15.0 110.127 169.351 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.588 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.0 m95 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 107.223 -1.399 . . . . 15.0 107.223 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 57.6 m -89.32 125.54 35.16 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.433 -0.951 . . . . 15.0 108.433 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 105.24 17.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 107.489 -1.3 . . . . 15.0 107.489 -171.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.431 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.88 89.96 2.96 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.496 -1.229 . . . . 15.0 108.478 -160.388 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.8 mtpm? -131.74 136.14 47.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.668 -170.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.657 ' HG1' ' HB3' ' A' ' 442' ' ' ASP . 21.1 p -143.84 150.47 38.54 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.529 -0.545 . . . . 15.0 109.529 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -8.58 2.14 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.538 0.685 . . . . 15.0 110.877 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.657 ' HB3' ' HG1' ' A' ' 440' ' ' THR . 1.8 t70 -60.65 -14.32 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.048 -0.978 . . . . 15.0 111.162 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.39 8.85 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.16 -0.776 . . . . 15.0 111.16 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.8 ttmm -102.83 115.31 30.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.461 -0.37 . . . . 15.0 110.477 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 90.0 m -118.06 91.43 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.856 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.2 tp -126.33 133.47 51.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.672 -172.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.9 m-85 -124.95 92.24 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 15.0 110.04 170.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -89.87 124.75 34.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.712 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.766 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.9 t30 -137.39 150.62 47.81 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.646 ' HA ' HD21 ' A' ' 453' ' ' LEU . 34.0 p30 -86.78 2.89 47.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.793 -166.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.766 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 24.5 mtt180 -34.69 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.349 1.031 . . . . 15.0 111.368 171.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 29.1 p -120.1 0.64 10.76 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.267 -1.333 . . . . 15.0 108.342 173.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 77.84 45.59 0.07 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.811 -1.541 . . . . 15.0 107.898 -161.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.416 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 43.8 tt0 -89.65 111.05 21.89 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.678 -1.601 . . . . 15.0 108.737 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.0 m -101.84 113.67 27.06 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.84 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.7 OUTLIER -90.98 114.07 26.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.874 -179.212 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.856 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.5 m95 -101.26 -6.02 24.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.818 0.818 . . . . 15.0 109.499 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -105.79 125.67 51.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.184 -1.371 . . . . 15.0 107.367 163.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.25 118.6 38.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 15.0 111.879 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.461 -0.388 0 C-N-CA 123.075 2.517 . . . . 15.0 111.786 178.792 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.433 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 4.2 m95 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.092 -0.707 . . . . 15.0 109.092 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 28.5 m -89.6 125.92 35.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.886 -0.783 . . . . 15.0 108.886 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.34 109.43 20.33 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.338 -1.356 . . . . 15.0 107.338 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.419 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.18 89.96 3.0 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.914 -1.039 . . . . 15.0 108.705 -160.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.4 mttt -123.6 114.93 20.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.034 -171.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.2 p -129.21 150.41 50.6 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.034 -0.416 . . . . 15.0 110.228 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.33 -3.55 4.26 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.267 0.556 . . . . 15.0 111.478 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -75.53 -0.01 18.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.509 -0.769 . . . . 15.0 110.407 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.92 1.75 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.123 -0.791 . . . . 15.0 111.123 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.5 ttmm -135.55 113.56 11.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 15.0 110.868 -175.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 32.2 m -123.7 89.97 3.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.391 -0.966 . . . . 15.0 108.391 170.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.863 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.1 tp -124.81 131.58 53.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.925 -166.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.587 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -120.32 91.89 3.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.509 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.59 127.66 35.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.231 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.746 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 48.1 t30 -141.77 150.57 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.76 -176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.731 ' HA ' HD23 ' A' ' 453' ' ' LEU . 32.7 p30 -85.31 2.2 45.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.651 -166.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.746 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 33.4 mtp180 -28.97 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 124.716 1.26 . . . . 15.0 111.703 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 71.5 p -119.93 0.7 10.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 171.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 79.16 71.64 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 112.682 -2.054 . . . . 15.0 108.081 -156.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.47 126.23 49.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.348 -1.751 . . . . 15.0 108.499 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.584 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 46.3 p -115.79 118.25 32.51 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.284 0.564 . . . . 15.0 109.879 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 104.73 17.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.934 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.863 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.6 m95 -90.1 1.25 56.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.037 0.922 . . . . 15.0 109.441 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.64 123.69 49.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.9 -1.5 . . . . 15.0 107.361 160.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.8 121.11 55.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -167.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 123.323 2.682 . . . . 15.0 113.238 -179.216 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.667 ' HH2' HH11 ' A' ' 451' ' ' ARG . 12.2 m95 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.094 -1.076 . . . . 15.0 108.094 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.68 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.4 m -89.28 125.02 34.93 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 108.454 -0.943 . . . . 15.0 108.454 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.38 92.16 9.02 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 106.65 -1.611 . . . . 15.0 106.65 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.482 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -111.84 89.76 3.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 113.516 -1.675 . . . . 15.0 106.803 -163.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 29.2 mtpt -135.6 122.71 21.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.069 -0.969 . . . . 15.0 110.164 -164.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 t -150.19 150.33 31.45 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.025 0.375 . . . . 15.0 110.238 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.42 -0.97 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.764 0.426 . . . . 15.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.25 -9.28 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.511 0.672 . . . . 15.0 110.094 171.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 63.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.633 -0.987 . . . . 15.0 110.633 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 14.3 ttmm -144.65 109.38 4.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.61 0.243 . . . . 15.0 110.593 -173.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 33.3 m -116.5 89.82 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 172.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.6 tp -126.75 131.3 51.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.741 -0.663 . . . . 15.0 111.284 -169.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.68 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.1 m-85 -122.1 89.97 3.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.362 0.601 . . . . 15.0 109.745 170.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -89.85 122.75 33.2 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.208 -0.906 . . . . 15.0 111.403 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.674 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -131.92 150.49 52.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.097 0.475 . . . . 15.0 111.288 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.613 ' HA ' HD21 ' A' ' 453' ' ' LEU . 28.4 p30 -84.65 1.3 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.501 -167.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.674 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 17.3 mtp180 -37.6 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.001 0.813 . . . . 15.0 111.551 170.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 13.1 p -117.86 0.67 11.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.615 -1.175 . . . . 15.0 108.574 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 76.71 42.44 0.15 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 113.714 -1.585 . . . . 15.0 108.231 -164.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.72 114.71 26.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.457 -1.247 . . . . 15.0 108.921 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.449 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 24.8 m -99.43 112.38 24.58 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.756 -1.111 . . . . 15.0 109.922 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.54 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 2.9 p -93.13 119.08 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.176 0.512 . . . . 15.0 110.782 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -103.76 3.42 34.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.002 0.906 . . . . 15.0 109.033 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -113.61 125.38 54.1 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.863 -1.517 . . . . 15.0 107.275 163.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.07 121.35 58.27 Favored Pre-proline 0 C--N 1.327 -0.382 0 O-C-N 123.205 0.316 . . . . 15.0 111.65 -170.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 CA--C 1.537 0.647 0 C-N-CA 122.888 2.392 . . . . 15.0 112.509 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.642 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 6.7 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.2 m -89.65 127.59 35.94 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.688 -1.227 . . . . 15.0 107.688 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -88.96 103.78 16.36 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 107.154 -1.424 . . . . 15.0 107.154 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . 0.451 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -122.36 96.65 5.13 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.653 -1.158 . . . . 15.0 108.271 -161.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 98.7 mttt -128.67 127.86 42.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.578 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.544 HG22 ' HD2' ' A' ' 444' ' ' LYS . 19.8 p -136.94 150.44 48.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.57 -2.94 0.87 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.209 0.448 . . . . 15.0 112.209 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.97 0.18 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.335 0.588 . . . . 15.0 109.959 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.25 28.9 15.98 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.656 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.8 ttmt -91.45 113.45 25.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.626 0.251 . . . . 15.0 110.485 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -123.74 89.94 3.18 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -125.79 132.83 52.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.615 -0.721 . . . . 15.0 112.031 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.521 ' N ' HD12 ' A' ' 446' ' ' LEU . 85.5 m-85 -120.85 90.68 3.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.882 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.76 122.14 32.56 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.71 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.68 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 33.6 t30 -138.04 150.57 47.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.878 ' HA ' HD23 ' A' ' 453' ' ' LEU . 10.1 p30 -83.38 -2.49 55.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.492 -0.777 . . . . 15.0 110.756 -164.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.68 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.3 mtt180 -24.07 -73.41 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 125.048 1.467 . . . . 15.0 111.853 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -119.98 0.69 10.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.247 -1.39 . . . . 15.0 107.247 167.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 81.79 68.99 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 112.812 -1.995 . . . . 15.0 108.128 -159.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.23 108.48 14.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.655 -1.611 . . . . 15.0 108.656 -174.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 20.3 m -95.28 113.55 25.23 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.127 -0.942 . . . . 15.0 109.519 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.17 127.79 41.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.328 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.9 m95 -109.2 -2.17 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.105 0.955 . . . . 15.0 109.299 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -117.05 128.89 55.61 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 113.997 -1.456 . . . . 15.0 107.471 162.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -59.91 119.5 41.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -167.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.347 0.481 0 C-N-CA 123.261 2.641 . . . . 15.0 113.025 -179.051 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.588 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.6 m95 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.311 -0.625 . . . . 15.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.5 m -89.63 127.66 35.94 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -89.16 95.69 10.41 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.002 -1.481 . . . . 15.0 107.002 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.26 89.83 3.14 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 113.411 -1.722 . . . . 15.0 107.498 -163.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.2 mtpm? -130.69 126.71 37.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.011 -169.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.5 p -134.09 150.63 51.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.9 -3.98 0.64 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.997 0.369 . . . . 15.0 111.997 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.23 -6.71 41.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 15.0 110.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 34.16 8.3 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.316 -0.714 . . . . 15.0 111.316 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 21.2 ttmm -96.67 122.15 39.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.579 0.228 . . . . 15.0 110.657 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 74.3 m -123.78 91.57 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.3 tp -129.75 134.26 47.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.063 -170.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.4 m-85 -117.83 89.71 3.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.43 0.633 . . . . 15.0 109.708 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -90.38 126.49 35.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.817 -1.083 . . . . 15.0 111.41 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.607 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 47.7 t30 -146.2 150.38 35.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.991 0.424 . . . . 15.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.797 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.8 p-10 -89.88 5.03 48.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.964 -0.562 . . . . 15.0 110.823 -162.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.607 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 37.6 mtt180 -31.98 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.517 1.136 . . . . 15.0 112.153 173.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 8.8 t -120.19 0.73 10.73 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.273 -1.38 . . . . 15.0 107.273 169.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.797 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 80.42 68.31 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.021 -1.899 . . . . 15.0 108.236 -158.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -109.61 113.67 26.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.884 -1.507 . . . . 15.0 108.694 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 18.7 m -109.76 111.31 22.68 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.901 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.1 p -91.82 119.53 31.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.632 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.6 m95 -100.81 4.92 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.406 1.098 . . . . 15.0 108.85 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -117.9 128.02 54.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.16 -1.837 . . . . 15.0 106.977 165.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -59.79 121.3 56.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.732 0.301 . . . . 15.0 111.237 -171.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo . . . . . 0 C--N 1.344 0.316 0 C-N-CA 123.039 2.493 . . . . 15.0 112.089 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.654 0.264 . . . . 15.0 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.46 ' HB ' HD13 ' A' ' 463' ' ' LEU . 8.1 p -101.29 161.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.0 t -85.44 -25.36 26.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.886 0.374 . . . . 15.0 111.048 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -72.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.447 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.764 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 21.1 m95 -90.13 145.99 24.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.192 -0.458 . . . . 15.0 109.934 -169.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.556 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 90.8 m -89.47 126.19 35.48 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -89.25 110.52 21.27 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.707 -1.22 . . . . 15.0 107.707 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -130.9 89.86 2.81 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.88 -161.324 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 99.1 mttt -131.74 134.23 45.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.412 -168.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.9 p -137.77 150.22 47.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.672 . . . . 15.0 109.187 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.49 -4.23 2.66 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.961 0.41 . . . . 15.0 111.726 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.43 -2.71 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.473 0.654 . . . . 15.0 110.298 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 60.04 1.44 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.715 -0.675 . . . . 15.0 111.546 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.569 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 23.4 ttmm -128.39 112.8 14.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.053 -0.351 . . . . 15.0 110.053 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 78.4 m -121.38 89.96 3.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.874 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -123.54 129.52 51.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.293 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.702 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 60.2 m-85 -120.72 94.45 4.36 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.574 169.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -89.56 121.42 31.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.297 -0.865 . . . . 15.0 110.688 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.617 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.3 t30 -138.7 150.58 46.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.649 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.582 ' HA ' HD22 ' A' ' 453' ' ' LEU . 27.0 p30 -85.72 4.46 36.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.497 -163.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.764 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 10.9 mtp180 -31.62 -76.11 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.57 1.169 . . . . 15.0 111.772 170.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.625 HG21 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -120.09 0.59 10.75 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.859 -1.163 . . . . 15.0 107.859 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.582 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.7 mt 83.98 49.13 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 113.284 -1.78 . . . . 15.0 107.433 -158.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.625 ' HB2' HG21 ' A' ' 452' ' ' THR . 53.7 tt0 -89.83 110.65 21.57 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 113.763 -1.562 . . . . 15.0 108.937 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.463 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 63.0 m -93.21 111.03 22.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.845 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.561 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.9 OUTLIER -95.62 109.29 21.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.319 0.581 . . . . 15.0 110.926 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.874 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 57.4 m95 -99.39 -1.56 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.48 1.133 . . . . 15.0 108.478 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -108.7 130.01 55.35 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.287 -1.779 . . . . 15.0 107.027 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -59.94 118.66 34.38 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 15.0 111.539 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.22 160.48 32.79 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.901 2.401 . . . . 15.0 111.728 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.82 -9.64 58.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.343 0.592 . . . . 15.0 110.585 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -86.82 -4.42 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.404 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.46 HD13 ' HB ' ' A' ' 432' ' ' VAL . 39.2 tp -150.75 127.41 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.839 0.352 . . . . 15.0 110.804 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tptt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.584 -0.722 . . . . 15.0 111.011 -176.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.374 -0.232 . . . . 15.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.26 8.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.93 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.1 m -154.13 100.7 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.84 -15.63 20.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.798 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.677 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 12.0 m95 -89.92 141.83 28.27 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 -174.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 96.4 m -89.59 130.87 35.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.874 -0.787 . . . . 15.0 108.874 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -89.05 111.24 21.93 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 124.902 1.376 . . . . 15.0 107.728 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.505 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.72 89.89 2.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.499 -1.228 . . . . 15.0 108.109 -162.546 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 85.7 mttt -136.91 135.39 37.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.838 -169.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.522 ' HG1' ' HB3' ' A' ' 444' ' ' LYS . 3.2 p -148.3 150.53 33.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.041 -0.726 . . . . 15.0 109.041 -177.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -10.35 3.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.849 0.357 . . . . 15.0 111.902 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -11.24 5.39 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.678 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 32.69 9.46 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.774 -0.93 . . . . 15.0 110.774 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.0 ttmp? -99.64 110.26 22.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.962 -0.619 . . . . 15.0 109.95 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 83.3 m -116.24 91.1 3.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.854 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.0 tp -122.71 122.46 38.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 15.0 111.966 -171.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.426 ' N ' HD12 ' A' ' 446' ' ' LEU . 20.6 m-85 -108.36 90.24 3.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.12 168.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -89.69 118.02 28.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.901 0.382 . . . . 15.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.677 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 29.7 t30 -139.32 150.39 45.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.247 0.546 . . . . 15.0 110.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.878 ' HA ' HD21 ' A' ' 453' ' ' LEU . 8.1 p30 -92.29 6.3 47.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.985 -163.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.612 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 34.1 mtp180 -27.44 -77.24 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.732 1.27 . . . . 15.0 111.427 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 6.9 t -120.09 0.76 10.79 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.75 -1.574 . . . . 15.0 106.75 169.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.878 HD21 ' HA ' ' A' ' 450' ' ' ASN . 1.8 mt 83.62 75.2 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.647 -2.07 . . . . 15.0 108.757 -159.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -114.68 111.44 21.31 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.835 -1.53 . . . . 15.0 108.993 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.0 m -102.16 106.32 17.16 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.681 -0.691 . . . . 15.0 109.698 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.3 106.72 18.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.034 -178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.854 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.1 m95 -94.42 -3.03 50.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.422 1.106 . . . . 15.0 109.102 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.38 133.87 52.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.325 -1.761 . . . . 15.0 106.531 163.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.46 118.37 56.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 112.274 0.472 . . . . 15.0 112.274 -167.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.63 149.57 30.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.114 2.542 . . . . 15.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.543 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.43 9.84 30.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.241 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -43.26 71.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.232 0.539 . . . . 15.0 110.579 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.57 28.62 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.698 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 18.9 tptp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.403 -0.808 . . . . 15.0 111.777 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.9 0.381 . . . . 15.0 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t -102.3 -50.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 15.0 110.151 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 29.0 m -124.95 102.7 7.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.777 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.5 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.548 0.689 . . . . 15.0 110.602 177.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.647 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 41.6 m95 -89.88 146.77 24.18 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.034 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 77.7 m -89.41 132.24 35.09 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.815 -0.809 . . . . 15.0 108.815 -177.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -89.05 95.96 10.53 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.389 -1.338 . . . . 15.0 107.389 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.75 89.68 3.17 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.678 -1.601 . . . . 15.0 107.68 -163.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 94.3 mttt -137.8 134.8 35.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.393 -168.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.845 ' HG1' ' HB3' ' A' ' 442' ' ' ASP . 55.7 p -139.04 150.81 46.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -5.73 1.3 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.424 0.63 . . . . 15.0 111.113 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.845 ' HB3' ' HG1' ' A' ' 440' ' ' THR . 0.2 OUTLIER -67.63 -9.42 42.98 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.037 -0.983 . . . . 15.0 110.588 170.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 32.53 9.74 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.601 -0.599 . . . . 15.0 111.601 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.9 ttmp? -96.1 113.65 25.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.491 -0.355 . . . . 15.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 87.3 m -114.86 91.59 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.708 -0.479 . . . . 15.0 109.708 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.863 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.2 tp -127.44 125.77 41.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.486 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.438 ' N ' HD12 ' A' ' 446' ' ' LEU . 47.5 m-85 -110.98 89.85 3.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.418 -0.81 . . . . 15.0 109.037 169.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -89.87 118.55 29.54 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.968 -0.56 . . . . 15.0 111.597 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.724 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -133.46 150.4 51.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 15.0 110.268 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.654 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -88.01 5.45 40.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.347 -166.511 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.724 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 42.6 mtt180 -28.59 -77.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.727 1.267 . . . . 15.0 111.831 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 69.9 p -120.08 0.67 10.77 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.01 -1.45 . . . . 15.0 107.172 171.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.654 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.7 mt 79.88 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.839 -1.982 . . . . 15.0 107.632 -154.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.409 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 33.7 tt0 -110.32 103.18 11.81 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.492 -1.686 . . . . 15.0 108.715 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.5 m -100.23 109.44 21.68 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.08 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.421 ' HB ' ' HG3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -94.1 113.95 26.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.467 -178.098 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.863 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -97.54 6.23 48.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.275 1.036 . . . . 15.0 110.033 -178.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.06 136.05 54.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.413 -1.721 . . . . 15.0 106.584 165.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mtmm -59.85 115.99 15.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 117.928 0.331 . . . . 15.0 111.517 -171.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.421 ' HG3' ' HB ' ' A' ' 456' ' ' THR . 2.9 Cg_exo -72.49 145.29 42.13 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.112 2.541 . . . . 15.0 112.427 -176.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.508 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 1.0 OUTLIER -83.03 10.75 7.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.93 178.455 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.86 -7.22 59.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.149 0.499 . . . . 15.0 110.141 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.24 128.03 56.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.177 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.496 ' HZ1' ' HB3' ' A' ' 464' ' ' LYS . 8.2 mtpm? . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.637 -0.696 . . . . 15.0 110.159 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.315 -0.254 . . . . 15.0 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.18 -28.49 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 15.0 110.519 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.7 m -73.19 152.76 40.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.127 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.27 -34.4 73.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.475 0.655 . . . . 15.0 110.51 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.764 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 26.1 m95 -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.813 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 71.3 m -89.22 125.27 35.01 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.654 -1.239 . . . . 15.0 107.654 176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.32 104.05 16.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.577 -1.268 . . . . 15.0 107.577 -171.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -122.46 89.96 3.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.178 -1.374 . . . . 15.0 109.061 -161.198 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 43.1 mttm -131.28 140.72 49.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.609 -1.178 . . . . 15.0 110.293 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.422 ' CG2' ' HB3' ' A' ' 444' ' ' LYS . 0.5 OUTLIER -150.05 149.08 29.82 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 176.577 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.91 -6.27 7.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.126 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.57 -0.32 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.088 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.77 -0.65 . . . . 15.0 112.64 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 ttmt -148.67 122.33 9.22 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.851 -0.205 . . . . 15.0 110.805 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 94.0 m -128.63 96.25 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 15.0 109.897 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.875 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.4 tp -127.52 136.51 51.83 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.732 -0.667 . . . . 15.0 111.0 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.641 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 97.4 m-85 -120.72 90.04 3.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.609 169.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -89.95 121.39 32.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.466 -0.788 . . . . 15.0 111.353 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.665 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 30.3 t30 -136.78 150.44 48.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.117 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.743 ' HA ' HD22 ' A' ' 453' ' ' LEU . 4.2 p-10 -87.45 7.6 28.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.158 -166.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.764 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 14.8 mtp180 -28.7 -75.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.575 1.172 . . . . 15.0 111.731 165.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 82.7 p -120.23 0.8 10.72 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 169.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 81.06 48.02 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 113.246 -1.797 . . . . 15.0 107.51 -157.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -89.9 121.5 32.07 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 113.686 -1.597 . . . . 15.0 108.786 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.5 m -109.37 104.2 13.27 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.343 -0.844 . . . . 15.0 109.889 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m -92.06 121.69 33.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.072 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.875 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 69.9 m95 -106.74 -3.54 20.38 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.626 0.727 . . . . 15.0 110.33 -176.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.31 131.77 52.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.828 -1.545 . . . . 15.0 106.828 164.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -61.01 119.45 45.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 15.0 112.083 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.13 -173.35 1.8 Allowed 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.051 2.501 . . . . 15.0 112.235 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -111.34 -7.99 14.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.259 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.675 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.8 mp0 -89.93 89.54 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.187 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -127.73 -14.46 5.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.905 0.335 . . . . 15.0 111.905 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.712 -0.661 . . . . 15.0 110.764 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.756 -0.461 . . . . 15.0 109.756 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.88 -28.57 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.143 0.497 . . . . 15.0 109.917 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.8 p -148.1 112.9 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 15.0 109.6 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.49 -53.15 46.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.723 0.773 . . . . 15.0 109.752 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.621 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 8.2 m95 -90.03 139.32 30.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.132 -174.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 39.3 m -89.7 129.33 36.14 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -89.25 100.57 13.32 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 107.573 -1.269 . . . . 15.0 107.573 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -118.93 90.02 3.25 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.338 -1.755 . . . . 15.0 107.227 -163.711 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -136.32 132.91 36.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.045 -0.979 . . . . 15.0 110.645 -165.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.9 p -135.13 150.23 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.125 -0.324 . . . . 15.0 110.125 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.24 -6.05 1.91 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 15.0 111.405 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.05 -6.7 49.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.505 -0.77 . . . . 15.0 110.085 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 63.68 1.25 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.652 -0.579 . . . . 15.0 111.652 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.4 ttmp? -130.23 113.05 13.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.45 . . . . 15.0 110.073 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 94.6 m -116.2 89.78 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 174.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.859 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -124.9 126.63 45.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.097 0.475 . . . . 15.0 111.839 -172.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.838 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 8.1 m-85 -111.73 92.27 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.681 168.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.8 116.12 27.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 15.0 110.682 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.683 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 36.7 t30 -134.63 150.51 50.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.599 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.78 ' HA ' HD22 ' A' ' 453' ' ' LEU . 9.1 p30 -88.08 -0.2 56.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.079 -163.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.683 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 51.6 mtp180 -24.16 -80.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.872 1.358 . . . . 15.0 112.001 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 7.5 t -117.62 0.76 12.14 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.687 -1.598 . . . . 15.0 106.687 167.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mt 84.77 74.93 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 112.646 -2.07 . . . . 15.0 108.384 -159.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -116.52 112.43 21.36 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 113.729 -1.578 . . . . 15.0 108.839 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 70.4 m -102.03 105.07 15.77 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.288 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.838 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 7.2 p -91.14 116.8 29.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.522 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.859 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 60.4 m95 -99.54 5.58 46.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.397 1.094 . . . . 15.0 108.588 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.43 124.1 46.84 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.211 -1.813 . . . . 15.0 107.123 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.439 ' HZ3' ' HB2' ' A' ' 459' ' ' LYS . 8.8 mtmp? -62.7 119.27 49.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.662 0.615 . . . . 15.0 112.662 -168.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.58 -171.65 1.3 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.539 2.826 . . . . 15.0 112.632 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.97 -3.47 12.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.283 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 464' ' ' LYS . 2.8 mp0 -76.42 114.76 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.346 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.3 tt 72.83 -26.53 0.18 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.552 0.741 . . . . 15.0 112.221 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.446 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.627 -0.701 . . . . 15.0 110.172 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.958 0.409 . . . . 15.0 110.686 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.9 m -125.24 144.57 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.813 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.5 m -110.26 105.93 15.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.045 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.14 -39.65 63.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.43 1.109 . . . . 15.0 108.405 170.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 4.8 m95 -97.52 150.48 21.05 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.298 -1.774 . . . . 15.0 109.055 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 30.0 m -89.01 120.96 30.9 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.979 -1.489 . . . . 15.0 106.979 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.44 102.32 15.0 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.422 -1.325 . . . . 15.0 107.422 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.684 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.82 91.31 3.53 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 113.715 -1.584 . . . . 15.0 108.326 -159.554 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.1 mttm -120.45 118.54 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.75 -1.113 . . . . 15.0 111.001 -168.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.566 ' OG1' ' HE2' ' A' ' 444' ' ' LYS . 30.9 p -134.23 150.51 51.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.664 -0.495 . . . . 15.0 109.664 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.98 -7.43 1.75 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.51 -7.83 22.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.675 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.62 8.09 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.636 -0.985 . . . . 15.0 110.636 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.566 ' HE2' ' OG1' ' A' ' 440' ' ' THR . 14.4 ttmm -97.42 112.41 24.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.578 . . . . 15.0 111.086 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 0.7 OUTLIER -114.29 89.6 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.778 169.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.843 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.0 tp -119.89 127.25 52.54 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.952 0.406 . . . . 15.0 110.959 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.489 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 38.3 m-85 -116.64 89.88 3.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.352 169.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -92.01 122.06 34.17 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.122 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.748 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -139.67 150.43 44.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.147 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.872 ' HA ' HD23 ' A' ' 453' ' ' LEU . 26.7 p-10 -90.65 6.99 41.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.498 -166.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.748 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.5 mtt180 -34.76 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.154 0.908 . . . . 15.0 110.73 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.441 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 23.6 p -120.13 0.68 10.75 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.242 -1.345 . . . . 15.0 109.064 173.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.872 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 73.76 51.22 0.12 Allowed 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 113.873 -1.512 . . . . 15.0 108.433 -159.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.1 108.23 19.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.846 -1.525 . . . . 15.0 108.89 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 m -97.01 101.63 13.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.057 -0.72 . . . . 15.0 109.057 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 458' ' ' GLU . 7.2 m -97.25 123.87 41.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.296 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.843 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 65.4 m95 -106.36 -0.17 24.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.706 0.765 . . . . 15.0 110.57 -172.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.427 ' O ' HG22 ' A' ' 456' ' ' THR . 45.2 mt-10 -113.52 127.57 56.13 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 165.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.475 ' HB2' ' HZ2' ' A' ' 459' ' ' LYS . 8.6 mtmp? -59.87 119.29 39.82 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 112.889 0.7 . . . . 15.0 112.889 -163.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -82.66 149.01 14.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 123.244 2.629 . . . . 15.0 111.889 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.43 15.02 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.071 -174.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.426 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 28.4 mm-40 -71.05 -3.4 19.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.539 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.47 108.0 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.449 . . . . 15.0 110.714 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.526 -0.75 . . . . 15.0 109.742 177.648 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.786 0.327 . . . . 15.0 110.54 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 23.0 m -105.93 139.94 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.959 0.409 . . . . 15.0 110.522 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.8 p -103.96 96.43 6.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.158 0.504 . . . . 15.0 110.694 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.24 -10.8 53.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.943 0.878 . . . . 15.0 109.744 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.75 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 6.7 m95 -89.71 139.83 30.18 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.996 -173.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 86.0 m -89.63 129.79 36.02 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.487 -0.931 . . . . 15.0 108.487 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.404 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 2.1 mm-40 -89.18 108.09 19.41 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.974 1.421 . . . . 15.0 108.386 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -136.77 89.83 2.49 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 -162.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.696 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 54.5 mttp -136.61 114.32 11.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.949 -170.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 442' ' ' ASP . 40.8 p -119.07 150.42 40.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.651 -0.5 . . . . 15.0 109.651 174.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.75 15.31 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.454 0.539 . . . . 15.0 112.454 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 440' ' ' THR . 36.1 t70 -97.23 8.88 43.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.698 . . . . 15.0 109.331 176.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.4 34.89 7.72 Favored Glycine 0 N--CA 1.453 -0.211 0 CA-C-N 115.664 -0.698 . . . . 15.0 112.469 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.696 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.2 ttmt -107.1 106.88 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.582 0.23 . . . . 15.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.465 HG22 ' HE3' ' A' ' 439' ' ' LYS . 39.5 m -117.31 89.95 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.05 -0.722 . . . . 15.0 109.05 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.829 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.7 tp -123.44 126.96 47.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 15.0 111.827 -170.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.693 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 14.2 m-85 -113.46 90.17 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.343 170.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -89.63 121.29 31.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.169 -0.468 . . . . 15.0 111.278 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.464 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.4 t30 -133.14 150.52 52.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 15.0 111.603 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.731 ' HA ' HD22 ' A' ' 453' ' ' LEU . 9.0 p30 -89.6 3.38 52.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.079 -0.964 . . . . 15.0 110.621 -167.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.75 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 5.0 mtp180 -36.11 -72.98 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.002 0.814 . . . . 15.0 111.613 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.8 p -119.78 0.52 10.91 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 80.97 40.91 0.06 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 113.706 -1.588 . . . . 15.0 107.739 -159.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.408 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 73.5 tt0 -89.74 117.85 28.91 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 113.551 -1.658 . . . . 15.0 108.968 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 65.5 m -108.88 114.91 29.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.513 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.693 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 20.7 p -91.82 119.14 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.741 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.829 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.6 m95 -99.62 2.67 44.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.11 0.957 . . . . 15.0 109.436 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -110.4 132.2 54.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.092 -1.413 . . . . 15.0 107.203 162.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -66.96 117.67 47.82 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.338 0.496 . . . . 15.0 112.338 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.602 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 94.6 Cg_endo -85.62 162.1 10.82 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.662 2.908 . . . . 15.0 112.731 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.4 HE21 ' HB2' ' A' ' 461' ' ' GLN . 0.3 OUTLIER -93.36 8.35 40.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.389 -179.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.602 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 6.1 mm-40 -82.37 26.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.161 -173.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.1 mt -93.57 -133.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.915 0.388 . . . . 15.0 110.812 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.564 ' HZ1' ' HB2' ' A' ' 464' ' ' LYS . 9.4 mtmp? . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.184 -0.913 . . . . 15.0 109.552 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.23 -0.285 . . . . 15.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 433' ' ' SER . 9.9 p -163.12 165.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.367 -0.234 . . . . 15.0 110.367 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.415 ' H ' HG23 ' A' ' 432' ' ' VAL . 5.9 t 66.88 80.42 0.22 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.581 0.705 . . . . 15.0 109.887 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 4.0 mp0 -67.78 -48.43 66.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.9 -1.045 . . . . 15.0 110.583 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.69 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.9 m95 -89.79 146.04 24.75 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.014 -169.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.0 m -89.47 129.32 35.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -89.29 94.12 9.79 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.185 -1.413 . . . . 15.0 107.185 -175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.407 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -115.38 89.68 3.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.81 -1.552 . . . . 15.0 106.81 -163.54 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 87.5 mttt -138.0 119.28 14.65 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.503 -163.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 442' ' ' ASP . 32.7 p -140.77 150.79 43.82 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.24 1.11 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.004 0.431 . . . . 15.0 112.067 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.418 ' H ' ' C ' ' A' ' 440' ' ' THR . 0.6 OUTLIER -66.82 -10.33 46.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.471 0.708 . . . . 15.0 110.463 170.422 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.38 11.03 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.672 -0.971 . . . . 15.0 110.672 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HB2' ' HZ2' ' A' ' 444' ' ' LYS . 4.3 ttmp? -100.49 107.22 18.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.087 -0.556 . . . . 15.0 111.022 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 52.2 m -112.64 89.95 3.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.862 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.9 tp -128.84 125.92 38.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.764 -0.653 . . . . 15.0 111.604 -167.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.485 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.4 m-85 -113.62 90.15 3.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.459 170.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -90.45 119.63 30.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.984 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.69 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 38.8 t30 -135.23 150.2 50.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 15.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.717 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.2 p-10 -85.4 -0.85 56.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.685 -165.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.658 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 18.6 mtp180 -32.64 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.247 0.967 . . . . 15.0 111.849 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.465 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.0 p -119.96 0.58 10.82 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.516 -1.22 . . . . 15.0 108.495 174.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mt 74.5 47.42 0.13 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 113.702 -1.59 . . . . 15.0 108.136 -161.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.4 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 29.0 tt0 -89.59 113.8 25.29 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.037 -1.438 . . . . 15.0 109.308 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.421 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 57.2 m -97.35 108.69 21.46 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.46 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.7 116.9 29.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.1 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.862 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 71.4 m95 -103.39 3.34 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.174 0.987 . . . . 15.0 110.156 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -111.14 150.1 29.94 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.781 -1.554 . . . . 15.0 106.915 163.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -76.87 116.45 57.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.584 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.751 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 73.4 Cg_endo -79.35 152.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.378 2.719 . . . . 15.0 112.06 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -97.87 6.42 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.41 0.624 . . . . 15.0 109.599 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.751 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 mm-40 -69.43 -9.01 51.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.671 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.86 118.27 18.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.078 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.479 ' NZ ' ' HB3' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.982 0 O-C-N 124.38 1.05 . . . . 15.0 109.714 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 111.382 0.142 . . . . 15.0 111.382 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 87.5 t 73.25 -53.84 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 122.93 0.492 . . . . 15.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 33.5 m -95.85 84.67 3.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.04 -0.726 . . . . 15.0 109.04 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.82 -83.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.457 -0.792 . . . . 15.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.454 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 23.2 m95 -89.84 127.58 36.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.751 -172.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.523 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 23.7 m -89.73 128.75 36.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 176.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.33 92.45 9.16 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.424 -1.325 . . . . 15.0 107.424 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.49 89.93 3.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.539 -1.664 . . . . 15.0 108.957 -162.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.501 ' HD2' HG21 ' A' ' 445' ' ' THR . 19.3 mtmm -143.61 138.25 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.413 -171.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.523 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 36.5 p -130.4 150.37 51.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.63 -6.94 6.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -87.5 12.92 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.386 0.613 . . . . 15.0 110.245 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 69.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.011 -0.614 . . . . 15.0 112.925 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.523 ' HB3' ' H ' ' A' ' 440' ' ' THR . 23.5 ttmm -144.6 127.4 16.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.501 HG21 ' HD2' ' A' ' 439' ' ' LYS . 93.6 m -136.92 93.86 2.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.408 0.623 . . . . 15.0 109.827 172.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.4 tp -126.12 129.4 49.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.949 . . . . 15.0 110.733 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.3 m-85 -117.99 91.81 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.383 0.611 . . . . 15.0 109.459 169.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -89.84 124.74 34.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.824 -1.08 . . . . 15.0 111.51 -176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.762 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.4 t30 -138.26 150.65 46.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.501 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.564 ' HA ' HD21 ' A' ' 453' ' ' LEU . 6.6 p30 -87.28 5.05 40.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 15.0 110.349 -167.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.762 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 36.7 mtt180 -31.51 -77.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.666 1.228 . . . . 15.0 111.689 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -120.07 0.98 10.84 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.451 -1.314 . . . . 15.0 107.451 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.564 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 86.55 51.85 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.031 -1.895 . . . . 15.0 107.694 -158.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -89.88 101.94 14.65 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.496 -1.684 . . . . 15.0 108.639 -177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.7 m -101.02 112.0 24.34 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.8 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.498 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.2 p -91.65 112.95 25.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.7 m95 -99.88 -2.55 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.108 0.956 . . . . 15.0 108.58 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.91 134.75 54.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 105.899 -1.889 . . . . 15.0 105.899 162.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.651 ' HB2' ' HZ2' ' A' ' 459' ' ' LYS . 9.4 mtmp? -60.2 126.56 84.35 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 15.0 112.919 -164.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.508 ' HG2' HD23 ' A' ' 463' ' ' LEU . 72.7 Cg_endo -76.96 174.22 13.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.239 2.626 . . . . 15.0 111.382 174.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -112.42 -5.94 14.05 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.452 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.84 -24.82 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.627 HD22 ' H ' ' A' ' 463' ' ' LEU . 2.6 pt? -87.84 -2.77 58.82 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.807 -0.357 . . . . 15.0 111.234 -175.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.848 0 CA-C-O 117.926 -1.035 . . . . 15.0 109.584 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.742 0.306 . . . . 15.0 110.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.22 135.57 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.285 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 25.3 p -115.02 114.85 25.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.341 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -66.17 -55.59 15.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.61 0.719 . . . . 15.0 110.439 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.714 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 7.0 m95 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.784 -1.098 . . . . 15.0 109.063 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.8 m -89.51 135.22 33.72 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.051 -0.352 . . . . 15.0 110.051 -173.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.22 107.89 19.31 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.23 1.581 . . . . 15.0 108.007 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.632 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -134.12 90.02 2.63 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.853 -1.067 . . . . 15.0 108.152 -162.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.652 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 58.4 mttm -135.6 126.01 26.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 15.0 111.457 -168.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.0 p -139.52 150.55 45.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.79 -0.448 . . . . 15.0 109.79 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -3.68 1.26 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.33 0.586 . . . . 15.0 111.123 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.97 -5.9 34.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.53 -0.759 . . . . 15.0 110.541 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 56.18 1.86 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.782 -0.927 . . . . 15.0 110.782 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 13.9 ttmm -133.61 115.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 15.0 110.657 -173.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 39.0 m -127.61 90.34 3.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 171.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.7 tp -117.19 128.79 55.45 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.085 -173.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.87 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 34.7 m-85 -108.35 89.78 3.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.186 166.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -89.84 115.62 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.177 -0.919 . . . . 15.0 111.195 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.726 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -130.7 150.21 51.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 15.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.743 ' HA ' HD21 ' A' ' 453' ' ' LEU . 29.9 p30 -89.84 4.76 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.619 -166.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.726 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 21.4 mtp180 -35.95 -75.78 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.102 0.876 . . . . 15.0 111.323 169.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.476 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.9 p -120.17 0.84 10.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.359 -1.291 . . . . 15.0 108.572 174.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.743 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.2 mt 75.26 45.76 0.13 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 113.819 -1.537 . . . . 15.0 108.238 -161.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.441 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 34.2 tt0 -89.76 119.12 29.88 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.166 -1.379 . . . . 15.0 108.433 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.66 14.57 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.351 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.87 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 15.3 p -94.58 117.46 30.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.055 -0.52 . . . . 15.0 110.568 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 53.5 m95 -99.37 4.17 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.848 1.309 . . . . 15.0 108.205 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.443 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 2.4 pt-20 -117.81 132.19 56.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.661 -2.063 . . . . 15.0 106.977 166.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.472 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 35.0 mtpt -60.03 128.84 87.7 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 113.02 0.748 . . . . 15.0 113.02 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -86.89 141.18 6.15 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.372 2.715 . . . . 15.0 111.214 175.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.19 -2.24 26.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.41 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.01 -10.4 39.33 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 15.0 111.695 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.85 9.69 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.76 -0.2 . . . . 15.0 111.181 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.152 -0.928 . . . . 15.0 110.626 -179.139 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.664 -0.124 . . . . 15.0 110.664 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.34 81.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.873 0.368 . . . . 15.0 110.349 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.0 m 62.69 94.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.551 -0.75 . . . . 15.0 110.931 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.35 -29.59 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.398 0.618 . . . . 15.0 110.39 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.795 ' HH2' HH11 ' A' ' 451' ' ' ARG . 9.2 m95 -89.95 142.8 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.436 -0.802 . . . . 15.0 108.988 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 87.5 m -89.44 131.56 35.43 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 109.535 -0.543 . . . . 15.0 109.535 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.13 106.81 18.68 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 125.081 1.488 . . . . 15.0 108.313 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.447 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -132.42 89.97 2.73 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.34 -1.754 . . . . 15.0 108.151 -162.417 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.765 ' HE3' HG22 ' A' ' 445' ' ' THR . 65.3 mttp -138.03 136.63 37.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.174 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 75.0 p -131.41 150.1 52.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.325 -0.62 . . . . 15.0 109.325 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.97 14.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.436 0.532 . . . . 15.0 112.436 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -82.46 5.27 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 15.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 69.54 1.22 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.466 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.688 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 19.8 ttmm -134.69 108.8 8.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.765 HG22 ' HE3' ' A' ' 439' ' ' LYS . 36.9 m -115.16 91.1 3.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.064 0.459 . . . . 15.0 110.026 176.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.1 tp -120.52 126.99 51.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.933 -0.576 . . . . 15.0 111.496 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.443 ' N ' HD12 ' A' ' 446' ' ' LEU . 8.7 m-85 -110.19 89.75 3.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.548 -0.751 . . . . 15.0 108.982 168.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -90.18 120.9 31.73 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.092 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.707 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.0 t30 -136.72 150.36 48.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 15.0 111.451 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.613 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.7 p-10 -86.04 -1.0 56.95 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.894 -167.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.795 HH11 ' HH2' ' A' ' 435' ' ' TRP . 13.9 mtp180 -39.0 -73.71 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.902 0.858 . . . . 15.0 111.917 170.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.611 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 1.2 p -120.18 0.74 10.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.453 -1.249 . . . . 15.0 109.278 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.613 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 70.4 48.51 0.47 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.598 -159.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.611 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 10.1 tt0 -89.59 116.68 27.92 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.827 -1.533 . . . . 15.0 108.639 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.461 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.9 m -102.23 100.29 10.48 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.285 -0.87 . . . . 15.0 109.744 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.71 100.18 12.94 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.27 -177.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 67.7 m95 -88.52 2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.172 0.987 . . . . 15.0 109.415 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -110.33 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.669 -1.605 . . . . 15.0 107.108 165.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -72.37 114.83 33.15 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 120.862 0.363 . . . . 15.0 111.976 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.636 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 88.8 Cg_endo -85.25 -25.33 1.74 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.19 2.593 . . . . 15.0 113.941 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.401 ' O ' ' HG2' ' A' ' 461' ' ' GLN . 59.9 tt0 63.15 15.69 8.74 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.095 0.474 . . . . 15.0 111.487 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 71.5 mm-40 -77.83 17.66 0.55 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -176.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.463 ' N ' HD13 ' A' ' 463' ' ' LEU . 6.8 mp -87.0 -3.27 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.154 0.502 . . . . 15.0 110.307 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.807 -0.812 . . . . 15.0 108.807 179.787 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.661 0.267 . . . . 15.0 110.737 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.9 m -122.39 150.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.726 0.298 . . . . 15.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m -135.41 110.41 8.82 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.38 -76.52 0.06 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.319 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.889 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 13.8 m95 -92.33 138.86 31.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.949 -1.13 . . . . 15.0 107.949 -171.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.676 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.3 m -89.2 129.57 35.76 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.934 -0.765 . . . . 15.0 108.934 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.23 92.35 9.14 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.47 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -109.2 89.99 3.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.833 -1.985 . . . . 15.0 107.738 -165.192 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -132.12 126.98 35.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.348 -167.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.594 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 19.9 p -127.81 150.43 49.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.01 -21.11 60.91 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.523 0.515 . . . . 15.0 112.108 -172.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -91.87 63.73 4.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.987 0.422 . . . . 15.0 110.479 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 54.14 70.03 1.06 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.733 -0.667 . . . . 15.0 114.678 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.7 ttmp? -138.88 108.7 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.291 0.546 . . . . 15.0 110.589 172.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 27.2 m -119.16 90.0 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 172.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.859 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.5 tp -125.85 133.17 52.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.187 -172.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.676 ' HA ' ' O ' ' A' ' 436' ' ' THR . 59.1 m-85 -117.28 89.99 3.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.952 0.406 . . . . 15.0 110.255 169.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -89.7 123.5 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.787 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.889 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 18.2 t30 -137.3 150.07 47.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.758 -0.201 . . . . 15.0 111.431 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.47 ' HA ' HD22 ' A' ' 453' ' ' LEU . 30.8 p30 -81.47 -9.49 59.7 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.05 0.452 . . . . 15.0 110.647 -171.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.509 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 20.3 mtt180 -41.5 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.247 -0.888 . . . . 15.0 112.671 167.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.755 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 0.3 OUTLIER -120.12 0.38 10.7 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.039 -177.717 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 57.03 39.85 29.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 -155.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.755 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 24.9 tt0 -89.83 122.6 33.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 112.98 -1.918 . . . . 15.0 107.909 -172.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.609 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 97.3 p -117.03 106.04 12.95 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.975 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.478 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 10.6 p -90.03 127.73 36.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.316 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.859 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.5 m95 -106.41 1.08 25.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.576 1.179 . . . . 15.0 108.794 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.57 134.74 53.94 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.029 -1.896 . . . . 15.0 107.414 163.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.62 124.07 88.37 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.709 -0.397 . . . . 15.0 111.835 -173.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.28 -168.58 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.395 2.73 . . . . 15.0 112.491 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.53 -27.25 31.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 15.0 110.199 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.512 ' O ' ' HB2' ' A' ' 463' ' ' LEU . 21.3 mp0 -84.99 118.37 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.831 -0.622 . . . . 15.0 109.922 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 462' ' ' GLU . 4.6 mm? 78.1 -21.1 0.35 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.813 0.845 . . . . 15.0 111.813 -176.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.28 -0.867 . . . . 15.0 111.744 173.7 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 120.827 0.346 . . . . 15.0 110.797 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.48 29.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 15.0 111.564 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.4 t -141.48 -169.27 2.84 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -88.87 -19.79 25.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.4 0.619 . . . . 15.0 110.257 -176.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.735 ' HH2' HH11 ' A' ' 451' ' ' ARG . 4.0 m95 -89.75 146.48 24.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.717 -172.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 61.0 m -89.78 123.66 33.97 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.281 -1.007 . . . . 15.0 108.281 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -89.11 104.98 17.49 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.224 -1.399 . . . . 15.0 107.224 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.488 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.5 90.07 3.25 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.419 -1.264 . . . . 15.0 108.03 -162.194 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.511 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 96.5 mttt -125.08 131.06 53.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.415 -170.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.437 HG23 ' HB3' ' A' ' 444' ' ' LYS . 2.0 t -150.2 150.29 31.39 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.04 -5.67 1.1 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.515 0.51 . . . . 15.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.26 -10.07 51.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.352 0.596 . . . . 15.0 110.502 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 48.05 3.69 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.544 -0.623 . . . . 15.0 111.544 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.681 ' HZ1' ' HB2' ' A' ' 444' ' ' LYS . 4.8 ttmp? -119.26 120.45 37.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.591 -0.305 . . . . 15.0 110.513 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 80.5 m -125.27 89.99 3.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.187 -0.671 . . . . 15.0 109.187 173.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.876 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.6 tp -125.37 130.69 52.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.263 -171.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 436' ' ' THR . 14.4 m-85 -116.13 89.87 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.99 -0.55 . . . . 15.0 109.645 170.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.61 122.96 33.24 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.069 -0.514 . . . . 15.0 111.028 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.677 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.1 t30 -137.88 150.42 47.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.114 0.483 . . . . 15.0 111.638 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.75 ' HA ' HD22 ' A' ' 453' ' ' LEU . 8.9 p30 -86.94 0.86 54.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.223 -0.898 . . . . 15.0 110.581 -167.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.735 HH11 ' HH2' ' A' ' 435' ' ' TRP . 21.6 mtp180 -35.02 -74.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 O-C-N 124.233 0.958 . . . . 15.0 111.523 171.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 20.3 p -120.01 0.5 10.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.731 -1.122 . . . . 15.0 108.401 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.75 HD22 ' HA ' ' A' ' 450' ' ' ASN . 2.8 mt 77.83 43.06 0.1 Allowed 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 113.608 -1.633 . . . . 15.0 108.381 -160.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.472 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 31.5 tt0 -89.71 116.67 28.0 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 114.065 -1.425 . . . . 15.0 108.456 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 24.6 m -104.79 111.02 23.6 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.859 -178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.92 116.13 27.75 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.324 0.583 . . . . 15.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.876 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.1 m95 -98.33 10.48 40.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.681 1.229 . . . . 15.0 108.506 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.667 -2.06 . . . . 15.0 107.36 169.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.593 ' HB3' ' HZ3' ' A' ' 459' ' ' LYS . 9.5 mtpm? -65.17 124.8 87.88 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -173.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.502 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 95.0 Cg_endo -94.11 -168.85 0.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.64 2.893 . . . . 15.0 112.426 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -129.82 9.25 5.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 111.591 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.502 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 7.3 mp0 -79.42 -1.59 37.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 15.0 111.023 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 463' ' ' LEU . 2.4 pt? -100.4 -1.76 35.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.557 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.004 -178.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.272 0.082 . . . . 15.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 464' ' ' LYS . 33.7 m -113.76 22.2 5.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.579 0.704 . . . . 15.0 110.165 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.9 m -92.52 143.1 26.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.964 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.74 -16.09 63.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.532 0.682 . . . . 15.0 110.07 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.828 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 9.3 m95 -89.74 138.5 31.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.194 -0.912 . . . . 15.0 108.839 -175.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.1 m -89.45 124.96 34.96 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.33 100.55 13.32 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 89.82 3.21 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.711 -1.586 . . . . 15.0 108.958 -161.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.721 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.9 mttp -124.74 123.92 41.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.534 -0.757 . . . . 15.0 110.431 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.434 ' C ' ' H ' ' A' ' 442' ' ' ASP . 77.0 p -115.9 150.39 37.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.658 -0.497 . . . . 15.0 109.658 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 3.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 15.0 111.87 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.7 t70 -89.26 -2.13 58.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.674 . . . . 15.0 109.732 174.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 52.1 2.6 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.211 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.7 ttmt -114.69 119.32 36.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 57.1 m -120.06 92.57 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 15.0 109.983 174.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.884 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.3 tp -127.39 137.74 52.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.024 -172.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.736 ' HB2' ' HG1' ' A' ' 456' ' ' THR . 75.5 m-85 -124.34 89.75 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.404 0.621 . . . . 15.0 110.083 172.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -89.71 120.74 31.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.466 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.692 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 23.3 t30 -131.03 150.25 52.23 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.99 0.424 . . . . 15.0 111.41 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.704 ' HA ' HD22 ' A' ' 453' ' ' LEU . 5.1 p-10 -89.07 8.3 30.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.848 -167.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.828 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 8.7 mtp180 -38.0 -75.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.936 0.773 . . . . 15.0 110.785 165.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 55.2 p -120.17 0.6 10.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.479 171.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 80.35 40.18 0.08 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.41 -1.268 . . . . 15.0 107.995 -162.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.455 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 39.4 tt0 -90.11 114.76 26.75 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.885 -1.507 . . . . 15.0 109.161 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.7 m -97.19 111.63 23.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.427 -0.806 . . . . 15.0 110.589 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.736 ' HG1' ' HB2' ' A' ' 447' ' ' TYR . 21.7 p -92.58 110.85 22.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.508 178.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.884 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 62.8 m95 -93.33 0.87 57.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.083 0.944 . . . . 15.0 109.278 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.47 135.78 54.61 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.957 -1.498 . . . . 15.0 106.957 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 49.8 mtpt -60.43 126.75 85.34 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 112.665 0.617 . . . . 15.0 112.665 -169.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.721 ' HD2' HD11 ' A' ' 463' ' ' LEU . 65.2 Cg_endo -90.28 7.35 3.82 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.325 2.683 . . . . 15.0 112.178 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 69.41 -3.07 1.69 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.7 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -94.07 75.32 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.721 HD11 ' HD2' ' A' ' 460' ' ' PRO . 6.8 mp -129.44 82.12 2.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.49 -0.777 . . . . 15.0 111.425 -177.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.449 ' O ' HG21 ' A' ' 432' ' ' VAL . 22.9 mtpp . . . . . 0 C--O 1.241 0.62 0 N-CA-C 109.011 -0.737 . . . . 15.0 109.011 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.759 0.314 . . . . 15.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.93 -30.77 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.6 -0.273 . . . . 15.0 110.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 52.6 m 64.83 100.18 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.755 -0.657 . . . . 15.0 109.934 -172.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -63.46 -65.82 0.63 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.231 -0.895 . . . . 15.0 111.426 -172.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.635 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 24.4 m95 -89.72 150.13 22.45 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.546 -0.539 . . . . 15.0 109.546 -172.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' A' ' 448' ' ' TYR . 50.6 m -89.45 133.57 34.49 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.611 ' HG2' HD23 ' A' ' 463' ' ' LEU . 3.8 mm-40 -88.99 105.14 17.59 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 124.946 1.404 . . . . 15.0 108.737 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.25 89.7 2.9 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 113.206 -1.815 . . . . 15.0 107.244 -163.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.694 ' HE3' HG22 ' A' ' 445' ' ' THR . 62.3 mttp -138.32 133.1 32.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.749 -169.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.875 HG23 ' HE2' ' A' ' 444' ' ' LYS . 40.1 p -126.97 150.25 49.48 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.97 -0.382 . . . . 15.0 109.97 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.09 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 15.0 110.742 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.67 1.05 13.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.977 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 69.97 1.22 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.341 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.875 ' HE2' HG23 ' A' ' 440' ' ' THR . 38.6 ttpt -138.11 112.88 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.108 -0.33 . . . . 15.0 110.108 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.694 HG22 ' HE3' ' A' ' 439' ' ' LYS . 22.5 m -116.58 89.89 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 15.0 109.62 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.876 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -127.09 131.36 50.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.054 0.454 . . . . 15.0 112.001 -170.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.544 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 14.2 m-85 -114.19 89.74 3.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.334 171.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.44 ' CE1' HD21 ' A' ' 453' ' ' LEU . 37.8 t80 -89.92 121.03 31.65 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.77 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.823 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 52.6 t30 -138.14 150.19 46.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.486 -0.486 . . . . 15.0 111.909 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.964 ' HA ' HD23 ' A' ' 453' ' ' LEU . 25.0 p30 -88.14 3.66 48.38 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.182 -0.917 . . . . 15.0 110.696 -165.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.823 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 32.3 mtt180 -38.4 -73.41 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.691 -1.141 . . . . 15.0 111.342 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 45.2 p -120.11 0.42 10.71 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.925 -1.034 . . . . 15.0 108.787 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.964 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.2 mt 70.66 51.0 0.34 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 113.756 -1.566 . . . . 15.0 109.468 -162.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.35 116.91 32.6 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.517 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.607 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 99.3 p -92.55 110.21 21.63 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.846 -0.798 . . . . 15.0 108.846 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 132.79 36.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.501 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.876 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.8 m95 -117.55 2.1 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.002 0.906 . . . . 15.0 109.442 -177.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.87 125.32 48.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.128 -1.396 . . . . 15.0 108.181 167.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.717 ' HB3' ' HZ3' ' A' ' 459' ' ' LYS . 7.1 mtpm? -61.73 128.56 90.49 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -171.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -85.62 -176.61 2.32 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.063 2.508 . . . . 15.0 110.127 169.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -78.71 -21.95 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 15.0 110.477 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.635 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 37.0 mt-10 -83.6 122.33 28.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.611 HD23 ' HG2' ' A' ' 437' ' ' GLU . 44.7 tp 73.08 122.9 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.183 0.927 . . . . 15.0 111.857 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.534 0.207 . . . . 15.0 110.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 432' ' ' VAL . 21.5 t 69.81 12.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.882 0.849 . . . . 15.0 110.529 176.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 7.9 t -162.3 38.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.921 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -60.06 -59.79 4.86 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 15.0 109.559 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.588 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.0 m95 -98.32 145.81 26.3 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.223 -1.399 . . . . 15.0 107.223 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.624 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 57.6 m -89.32 125.54 35.16 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.433 -0.951 . . . . 15.0 108.433 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 105.24 17.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 107.489 -1.3 . . . . 15.0 107.489 -171.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.431 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.88 89.96 2.96 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.496 -1.229 . . . . 15.0 108.478 -160.388 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.8 mtpm? -131.74 136.14 47.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.668 -170.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.657 ' HG1' ' HB3' ' A' ' 442' ' ' ASP . 21.1 p -143.84 150.47 38.54 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.529 -0.545 . . . . 15.0 109.529 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -8.58 2.14 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.538 0.685 . . . . 15.0 110.877 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.657 ' HB3' ' HG1' ' A' ' 440' ' ' THR . 1.8 t70 -60.65 -14.32 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.048 -0.978 . . . . 15.0 111.162 170.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.39 8.85 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.16 -0.776 . . . . 15.0 111.16 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.578 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.8 ttmm -102.83 115.31 30.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.461 -0.37 . . . . 15.0 110.477 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 90.0 m -118.06 91.43 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.856 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.2 tp -126.33 133.47 51.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.672 -172.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.624 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.9 m-85 -124.95 92.24 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 15.0 110.04 170.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -89.87 124.75 34.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.712 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.766 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.9 t30 -137.39 150.62 47.81 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.646 ' HA ' HD21 ' A' ' 453' ' ' LEU . 34.0 p30 -86.78 2.89 47.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.793 -166.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.766 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 24.5 mtt180 -34.69 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.349 1.031 . . . . 15.0 111.368 171.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 29.1 p -120.1 0.64 10.76 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.267 -1.333 . . . . 15.0 108.342 173.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 77.84 45.59 0.07 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.811 -1.541 . . . . 15.0 107.898 -161.399 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.416 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 43.8 tt0 -89.65 111.05 21.89 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.678 -1.601 . . . . 15.0 108.737 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.0 m -101.84 113.67 27.06 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.84 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.7 OUTLIER -90.98 114.07 26.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.874 -179.212 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.856 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.5 m95 -101.26 -6.02 24.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.818 0.818 . . . . 15.0 109.499 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -105.79 125.67 51.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.184 -1.371 . . . . 15.0 107.367 163.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.25 118.6 38.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 15.0 111.879 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -79.71 -168.41 0.63 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.075 2.517 . . . . 15.0 111.786 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -103.95 -11.4 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 15.0 110.987 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.09 120.36 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.464 -0.569 . . . . 15.0 109.464 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.5 tt -171.21 108.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 15.0 111.166 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.421 ' HE2' ' HB2' ' A' ' 464' ' ' LYS . 24.3 ttmm . . . . . 0 C--O 1.25 1.129 0 O-C-N 123.784 0.677 . . . . 15.0 112.111 167.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.422 ' C ' ' HG ' ' A' ' 433' ' ' SER . 27.0 m -101.88 -23.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.614 -0.266 . . . . 15.0 111.318 -175.149 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.422 ' HG ' ' C ' ' A' ' 432' ' ' VAL . 30.2 p 47.15 94.73 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 O-C-N 124.033 0.833 . . . . 15.0 112.174 -174.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -61.81 -53.92 49.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.623 0.725 . . . . 15.0 110.501 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.433 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 4.2 m95 -89.84 142.25 27.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.888 -1.051 . . . . 15.0 109.092 -175.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 28.5 m -89.6 125.92 35.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.886 -0.783 . . . . 15.0 108.886 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.34 109.43 20.33 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.338 -1.356 . . . . 15.0 107.338 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.419 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.18 89.96 3.0 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.914 -1.039 . . . . 15.0 108.705 -160.649 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.4 mttt -123.6 114.93 20.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.034 -171.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.2 p -129.21 150.41 50.6 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.034 -0.416 . . . . 15.0 110.228 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.33 -3.55 4.26 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.267 0.556 . . . . 15.0 111.478 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -75.53 -0.01 18.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.509 -0.769 . . . . 15.0 110.407 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.92 1.75 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.123 -0.791 . . . . 15.0 111.123 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.571 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.5 ttmm -135.55 113.56 11.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 15.0 110.868 -175.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 32.2 m -123.7 89.97 3.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.391 -0.966 . . . . 15.0 108.391 170.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.863 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.1 tp -124.81 131.58 53.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.925 -166.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.587 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -120.32 91.89 3.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.509 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.59 127.66 35.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.231 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.746 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 48.1 t30 -141.77 150.57 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.76 -176.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.731 ' HA ' HD23 ' A' ' 453' ' ' LEU . 32.7 p30 -85.31 2.2 45.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.651 -166.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.746 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 33.4 mtp180 -28.97 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 124.716 1.26 . . . . 15.0 111.703 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 71.5 p -119.93 0.7 10.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 171.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 79.16 71.64 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 112.682 -2.054 . . . . 15.0 108.081 -156.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.47 126.23 49.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.348 -1.751 . . . . 15.0 108.499 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.584 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 46.3 p -115.79 118.25 32.51 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.284 0.564 . . . . 15.0 109.879 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 104.73 17.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.934 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.863 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.6 m95 -90.1 1.25 56.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.037 0.922 . . . . 15.0 109.441 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.64 123.69 49.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.9 -1.5 . . . . 15.0 107.361 160.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.8 121.11 55.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -167.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.71 -15.05 4.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.323 2.682 . . . . 15.0 113.238 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 67.76 3.7 3.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.483 0.713 . . . . 15.0 112.401 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.79 127.42 32.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.987 -0.375 . . . . 15.0 109.987 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.1 tp -173.81 117.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.061 0.225 . . . . 15.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.483 -0.77 . . . . 15.0 110.337 173.521 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.804 0.335 . . . . 15.0 110.813 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.03 22.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.7 m 62.73 88.61 0.09 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.258 -0.883 . . . . 15.0 109.247 -167.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -68.7 -80.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.374 -173.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.667 ' HH2' HH11 ' A' ' 451' ' ' ARG . 12.2 m95 -90.0 133.97 34.5 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.094 -1.076 . . . . 15.0 108.094 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.68 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.4 m -89.28 125.02 34.93 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 108.454 -0.943 . . . . 15.0 108.454 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.38 92.16 9.02 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 106.65 -1.611 . . . . 15.0 106.65 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.482 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -111.84 89.76 3.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 113.516 -1.675 . . . . 15.0 106.803 -163.124 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 29.2 mtpt -135.6 122.71 21.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.069 -0.969 . . . . 15.0 110.164 -164.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 2.8 t -150.19 150.33 31.45 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.025 0.375 . . . . 15.0 110.238 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.42 -0.97 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.764 0.426 . . . . 15.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -68.25 -9.28 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.511 0.672 . . . . 15.0 110.094 171.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 63.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.633 -0.987 . . . . 15.0 110.633 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 14.3 ttmm -144.65 109.38 4.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.61 0.243 . . . . 15.0 110.593 -173.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 33.3 m -116.5 89.82 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 172.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.6 tp -126.75 131.3 51.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.741 -0.663 . . . . 15.0 111.284 -169.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.68 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.1 m-85 -122.1 89.97 3.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.362 0.601 . . . . 15.0 109.745 170.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -89.85 122.75 33.2 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.208 -0.906 . . . . 15.0 111.403 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.674 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -131.92 150.49 52.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.097 0.475 . . . . 15.0 111.288 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.613 ' HA ' HD21 ' A' ' 453' ' ' LEU . 28.4 p30 -84.65 1.3 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.501 -167.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.674 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 17.3 mtp180 -37.6 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.001 0.813 . . . . 15.0 111.551 170.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 13.1 p -117.86 0.67 11.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.615 -1.175 . . . . 15.0 108.574 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.613 HD21 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 76.71 42.44 0.15 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 113.714 -1.585 . . . . 15.0 108.231 -164.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -89.72 114.71 26.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.457 -1.247 . . . . 15.0 108.921 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.449 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 24.8 m -99.43 112.38 24.58 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.756 -1.111 . . . . 15.0 109.922 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.54 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 2.9 p -93.13 119.08 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.176 0.512 . . . . 15.0 110.782 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -103.76 3.42 34.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.002 0.906 . . . . 15.0 109.033 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -113.61 125.38 54.1 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.863 -1.517 . . . . 15.0 107.275 163.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.07 121.35 58.27 Favored Pre-proline 0 C--N 1.327 -0.382 0 O-C-N 123.205 0.316 . . . . 15.0 111.65 -170.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.572 ' O ' ' HB2' ' A' ' 461' ' ' GLN . 72.4 Cg_endo -76.27 -93.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.888 2.392 . . . . 15.0 112.509 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.572 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 5.4 tp-100 164.27 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.488 0.315 . . . . 15.0 110.85 -175.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.426 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 7.6 mm-40 -70.58 6.62 1.35 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.416 HD22 ' HG2' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -88.91 -9.93 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.983 -177.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.46 ' HB2' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.735 0 CA-C-O 118.139 -0.934 . . . . 15.0 110.032 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . 0.43 ' H ' ' CD ' ' A' ' 434' ' ' GLU . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.44 ' HA ' ' OXT' ' A' ' 464' ' ' LYS . 7.4 p 41.69 85.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 124.331 1.019 . . . . 15.0 111.848 -176.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 t 69.91 106.31 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 114.953 -1.021 . . . . 15.0 110.408 -175.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 431' ' ' ALA . 18.0 mm-40 -81.73 -16.01 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.47 0.652 . . . . 15.0 110.371 -177.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.817 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 6.7 m95 -90.87 150.14 21.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.004 -175.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.2 m -89.65 127.59 35.94 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.688 -1.227 . . . . 15.0 107.688 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -88.96 103.78 16.36 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 107.154 -1.424 . . . . 15.0 107.154 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . 0.451 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -122.36 96.65 5.13 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.653 -1.158 . . . . 15.0 108.271 -161.559 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 98.7 mttt -128.67 127.86 42.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.578 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.544 HG22 ' HD2' ' A' ' 444' ' ' LYS . 19.8 p -136.94 150.44 48.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.57 -2.94 0.87 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.209 0.448 . . . . 15.0 112.209 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.97 0.18 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.335 0.588 . . . . 15.0 109.959 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.25 28.9 15.98 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.656 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.626 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.8 ttmt -91.45 113.45 25.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.626 0.251 . . . . 15.0 110.485 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -123.74 89.94 3.18 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -125.79 132.83 52.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.615 -0.721 . . . . 15.0 112.031 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.521 ' N ' HD12 ' A' ' 446' ' ' LEU . 85.5 m-85 -120.85 90.68 3.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.882 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.76 122.14 32.56 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.71 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.68 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 33.6 t30 -138.04 150.57 47.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.878 ' HA ' HD23 ' A' ' 453' ' ' LEU . 10.1 p30 -83.38 -2.49 55.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.492 -0.777 . . . . 15.0 110.756 -164.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.68 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.3 mtt180 -24.07 -73.41 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 125.048 1.467 . . . . 15.0 111.853 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -119.98 0.69 10.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.247 -1.39 . . . . 15.0 107.247 167.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.878 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 81.79 68.99 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 112.812 -1.995 . . . . 15.0 108.128 -159.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -119.23 108.48 14.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.655 -1.611 . . . . 15.0 108.656 -174.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.46 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 20.3 m -95.28 113.55 25.23 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.127 -0.942 . . . . 15.0 109.519 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.17 127.79 41.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.328 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.9 m95 -109.2 -2.17 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.105 0.955 . . . . 15.0 109.299 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -117.05 128.89 55.61 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 113.997 -1.456 . . . . 15.0 107.471 162.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -59.91 119.5 41.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -167.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.33 -3.98 13.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.261 2.641 . . . . 15.0 113.025 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 66.71 7.34 5.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.997 0.519 . . . . 15.0 112.168 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.817 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.9 mm-40 -86.24 36.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.041 -0.412 . . . . 15.0 110.336 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.0 27.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 15.0 109.946 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 462' ' ' GLU . 5.7 ptpp? . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.504 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.733 0.301 . . . . 15.0 110.676 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.4 p -77.42 84.72 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 122.103 0.954 . . . . 15.0 110.856 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.7 m -108.91 121.09 44.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.611 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -59.91 -69.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.272 -0.422 . . . . 15.0 110.817 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.675 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 31.6 m95 -94.25 149.96 20.75 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.625 . . . . 15.0 109.311 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.5 m -89.63 127.66 35.94 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -89.16 95.69 10.41 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.002 -1.481 . . . . 15.0 107.002 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.26 89.83 3.14 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 113.411 -1.722 . . . . 15.0 107.498 -163.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.2 mtpm? -130.69 126.71 37.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.011 -169.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.5 p -134.09 150.63 51.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.9 -3.98 0.64 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.997 0.369 . . . . 15.0 111.997 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.23 -6.71 41.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 15.0 110.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 34.16 8.3 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.316 -0.714 . . . . 15.0 111.316 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 21.2 ttmm -96.67 122.15 39.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.579 0.228 . . . . 15.0 110.657 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 74.3 m -123.78 91.57 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' LEU . . . . . 0.885 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.3 tp -129.75 134.26 47.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.063 -170.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.56 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.4 m-85 -117.83 89.71 3.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.43 0.633 . . . . 15.0 109.708 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -90.38 126.49 35.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.817 -1.083 . . . . 15.0 111.41 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.607 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 47.7 t30 -146.2 150.38 35.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.991 0.424 . . . . 15.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.797 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.8 p-10 -89.88 5.03 48.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.964 -0.562 . . . . 15.0 110.823 -162.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.607 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 37.6 mtt180 -31.98 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.517 1.136 . . . . 15.0 112.153 173.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 8.8 t -120.19 0.73 10.73 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.273 -1.38 . . . . 15.0 107.273 169.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.797 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 80.42 68.31 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.021 -1.899 . . . . 15.0 108.236 -158.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -109.61 113.67 26.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.884 -1.507 . . . . 15.0 108.694 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.435 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 18.7 m -109.76 111.31 22.68 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.901 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.504 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.1 p -91.82 119.53 31.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.632 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.885 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.6 m95 -100.81 4.92 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.406 1.098 . . . . 15.0 108.85 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -117.9 128.02 54.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.16 -1.837 . . . . 15.0 106.977 165.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -59.79 121.3 56.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.732 0.301 . . . . 15.0 111.237 -171.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -78.72 -170.26 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.039 2.493 . . . . 15.0 112.089 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -93.09 -12.86 29.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 15.0 111.165 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.675 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 32.3 mt-10 -97.59 96.6 8.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.179 0.514 . . . . 15.0 110.737 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 463' ' ' LEU . 3.6 mm? -124.66 124.52 42.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.596 -0.729 . . . . 15.0 109.713 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.68 -0.676 . . . . 15.0 110.088 -179.135 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.778 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 21.1 m95 . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.934 -0.395 . . . . 15.0 109.934 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 90.8 m -89.47 126.19 35.48 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -89.25 110.52 21.27 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.707 -1.22 . . . . 15.0 107.707 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -130.9 89.86 2.81 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.88 -161.324 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 99.1 mttt -131.74 134.23 45.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.412 -168.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.9 p -137.77 150.22 47.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.672 . . . . 15.0 109.187 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.49 -4.23 2.66 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.961 0.41 . . . . 15.0 111.726 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.43 -2.71 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.473 0.654 . . . . 15.0 110.298 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 60.04 1.44 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.715 -0.675 . . . . 15.0 111.546 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 23.4 ttmm -128.39 112.8 14.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.053 -0.351 . . . . 15.0 110.053 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 78.4 m -121.38 89.96 3.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.891 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -123.54 129.52 51.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.293 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 60.2 m-85 -120.72 94.45 4.36 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.574 169.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -89.56 121.42 31.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.297 -0.865 . . . . 15.0 110.688 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.3 t30 -138.7 150.58 46.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.649 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.602 ' HA ' HD23 ' A' ' 453' ' ' LEU . 27.0 p30 -85.72 4.46 36.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.497 -163.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.778 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 10.9 mtp180 -31.62 -76.11 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.57 1.169 . . . . 15.0 111.772 170.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -120.09 0.59 10.75 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.859 -1.163 . . . . 15.0 107.859 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.7 mt 83.98 49.13 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 113.284 -1.78 . . . . 15.0 107.433 -158.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.637 ' HB2' HG22 ' A' ' 452' ' ' THR . 53.7 tt0 -89.83 110.65 21.57 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 113.763 -1.562 . . . . 15.0 108.937 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 63.0 m -93.21 111.03 22.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.845 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.9 OUTLIER -95.62 109.29 21.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.319 0.581 . . . . 15.0 110.926 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.891 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 57.4 m95 -99.39 -1.56 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.48 1.133 . . . . 15.0 108.478 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -108.7 130.01 55.35 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.287 -1.779 . . . . 15.0 107.027 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -59.94 118.66 34.38 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 15.0 111.539 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.462 -0.365 0 C-N-CA 122.901 2.401 . . . . 15.0 111.728 177.444 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.684 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 12.0 m95 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 96.4 m -89.59 130.87 35.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.874 -0.787 . . . . 15.0 108.874 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -89.05 111.24 21.93 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 124.902 1.376 . . . . 15.0 107.728 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.72 89.89 2.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.499 -1.228 . . . . 15.0 108.109 -162.546 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 85.7 mttt -136.91 135.39 37.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.838 -169.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -148.3 150.53 33.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.041 -0.726 . . . . 15.0 109.041 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -10.35 3.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.849 0.357 . . . . 15.0 111.902 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -11.24 5.39 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.678 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 32.69 9.46 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.774 -0.93 . . . . 15.0 110.774 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.0 ttmp? -99.64 110.26 22.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.962 -0.619 . . . . 15.0 109.95 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 83.3 m -116.24 91.1 3.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.0 tp -122.71 122.46 38.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 15.0 111.966 -171.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.434 ' N ' HD12 ' A' ' 446' ' ' LEU . 20.6 m-85 -108.36 90.24 3.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.12 168.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -89.69 118.02 28.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.901 0.382 . . . . 15.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.684 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 29.7 t30 -139.32 150.39 45.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.247 0.546 . . . . 15.0 110.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.9 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.1 p30 -92.29 6.3 47.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.985 -163.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 34.1 mtp180 -27.44 -77.24 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.732 1.27 . . . . 15.0 111.427 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 6.9 t -120.09 0.76 10.79 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.75 -1.574 . . . . 15.0 106.75 169.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.9 HD23 ' HA ' ' A' ' 450' ' ' ASN . 1.8 mt 83.62 75.2 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.647 -2.07 . . . . 15.0 108.757 -159.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -114.68 111.44 21.31 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.835 -1.53 . . . . 15.0 108.993 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.0 m -102.16 106.32 17.16 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.681 -0.691 . . . . 15.0 109.698 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.4 ' HB ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -90.3 106.72 18.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.034 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.1 m95 -94.42 -3.03 50.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.422 1.106 . . . . 15.0 109.102 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.38 133.87 52.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.325 -1.761 . . . . 15.0 106.531 163.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.46 118.37 56.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 112.274 0.472 . . . . 15.0 112.274 -167.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HD3' ' HB ' ' A' ' 456' ' ' THR . 73.0 Cg_endo . . . . . 0 C--N 1.347 0.47 0 C-N-CA 123.114 2.542 . . . . 15.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 41.6 m95 . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 109.034 -0.728 . . . . 15.0 109.034 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.7 m -89.41 132.24 35.09 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.815 -0.809 . . . . 15.0 108.815 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -89.05 95.96 10.53 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.389 -1.338 . . . . 15.0 107.389 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.75 89.68 3.17 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.678 -1.601 . . . . 15.0 107.68 -163.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 94.3 mttt -137.8 134.8 35.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.393 -168.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 55.7 p -139.04 150.81 46.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -5.73 1.3 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.424 0.63 . . . . 15.0 111.113 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -9.42 42.98 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.037 -0.983 . . . . 15.0 110.588 170.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 32.53 9.74 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.601 -0.599 . . . . 15.0 111.601 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.9 ttmp? -96.1 113.65 25.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.491 -0.355 . . . . 15.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 87.3 m -114.86 91.59 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.708 -0.479 . . . . 15.0 109.708 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.2 tp -127.44 125.77 41.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.486 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 47.5 m-85 -110.98 89.85 3.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.418 -0.81 . . . . 15.0 109.037 169.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -89.87 118.55 29.54 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.968 -0.56 . . . . 15.0 111.597 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.739 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -133.46 150.4 51.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 15.0 110.268 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.675 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -88.01 5.45 40.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.347 -166.511 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.739 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 42.6 mtt180 -28.59 -77.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.727 1.267 . . . . 15.0 111.831 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 69.9 p -120.08 0.67 10.77 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.01 -1.45 . . . . 15.0 107.172 171.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.7 mt 79.88 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.839 -1.982 . . . . 15.0 107.632 -154.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.43 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 33.7 tt0 -110.32 103.18 11.81 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.492 -1.686 . . . . 15.0 108.715 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.5 m -100.23 109.44 21.68 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.08 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.431 ' CB ' ' HG3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -94.1 113.95 26.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.467 -178.098 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -97.54 6.23 48.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.275 1.036 . . . . 15.0 110.033 -178.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.06 136.05 54.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.413 -1.721 . . . . 15.0 106.584 165.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mtmm -59.85 115.99 15.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 117.928 0.331 . . . . 15.0 111.517 -171.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 2.9 Cg_exo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 123.112 2.541 . . . . 15.0 112.427 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.781 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 26.1 m95 . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 109.813 -0.44 . . . . 15.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 71.3 m -89.22 125.27 35.01 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.654 -1.239 . . . . 15.0 107.654 176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.32 104.05 16.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.577 -1.268 . . . . 15.0 107.577 -171.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -122.46 89.96 3.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.178 -1.374 . . . . 15.0 109.061 -161.198 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 43.1 mttm -131.28 140.72 49.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.609 -1.178 . . . . 15.0 110.293 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 444' ' ' LYS . 0.5 OUTLIER -150.05 149.08 29.82 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 176.577 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.91 -6.27 7.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.126 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.57 -0.32 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.088 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.77 -0.65 . . . . 15.0 112.64 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.658 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 ttmt -148.67 122.33 9.22 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.851 -0.205 . . . . 15.0 110.805 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 94.0 m -128.63 96.25 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 15.0 109.897 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.4 tp -127.52 136.51 51.83 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.732 -0.667 . . . . 15.0 111.0 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.657 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 97.4 m-85 -120.72 90.04 3.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.609 169.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -89.95 121.39 32.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.466 -0.788 . . . . 15.0 111.353 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 30.3 t30 -136.78 150.44 48.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.117 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.764 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.2 p-10 -87.45 7.6 28.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.158 -166.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.781 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 14.8 mtp180 -28.7 -75.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.575 1.172 . . . . 15.0 111.731 165.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 82.7 p -120.23 0.8 10.72 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 169.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 81.06 48.02 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 113.246 -1.797 . . . . 15.0 107.51 -157.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -89.9 121.5 32.07 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 113.686 -1.597 . . . . 15.0 108.786 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.5 m -109.37 104.2 13.27 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.343 -0.844 . . . . 15.0 109.889 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m -92.06 121.69 33.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.072 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 69.9 m95 -106.74 -3.54 20.38 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.626 0.727 . . . . 15.0 110.33 -176.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.31 131.77 52.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.828 -1.545 . . . . 15.0 106.828 164.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -61.01 119.45 45.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 15.0 112.083 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 N--CA 1.461 -0.419 0 C-N-CA 123.051 2.501 . . . . 15.0 112.235 179.078 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 8.2 m95 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 39.3 m -89.7 129.33 36.14 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -89.25 100.57 13.32 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 107.573 -1.269 . . . . 15.0 107.573 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.55 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -118.93 90.02 3.25 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.338 -1.755 . . . . 15.0 107.227 -163.711 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -136.32 132.91 36.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.045 -0.979 . . . . 15.0 110.645 -165.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.9 p -135.13 150.23 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.125 -0.324 . . . . 15.0 110.125 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.24 -6.05 1.91 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 15.0 111.405 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.05 -6.7 49.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.505 -0.77 . . . . 15.0 110.085 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 63.68 1.25 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.652 -0.579 . . . . 15.0 111.652 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.4 ttmp? -130.23 113.05 13.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.45 . . . . 15.0 110.073 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 94.6 m -116.2 89.78 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 174.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -124.9 126.63 45.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.097 0.475 . . . . 15.0 111.839 -172.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 455' ' ' SER . 8.1 m-85 -111.73 92.27 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.681 168.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.8 116.12 27.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 15.0 110.682 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.701 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 36.7 t30 -134.63 150.51 50.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.599 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.798 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.1 p30 -88.08 -0.2 56.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.079 -163.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.701 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 51.6 mtp180 -24.16 -80.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.872 1.358 . . . . 15.0 112.001 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 7.5 t -117.62 0.76 12.14 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.687 -1.598 . . . . 15.0 106.687 167.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mt 84.77 74.93 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 112.646 -2.07 . . . . 15.0 108.384 -159.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -116.52 112.43 21.36 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 113.729 -1.578 . . . . 15.0 108.839 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 70.4 m -102.03 105.07 15.77 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.288 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 7.2 p -91.14 116.8 29.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.522 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 60.4 m95 -99.54 5.58 46.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.397 1.094 . . . . 15.0 108.588 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.43 124.1 46.84 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.211 -1.813 . . . . 15.0 107.123 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.7 119.27 49.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.662 0.615 . . . . 15.0 112.662 -168.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 C--N 1.347 0.463 0 C-N-CA 123.539 2.826 . . . . 15.0 112.632 177.693 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 4.8 m95 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.055 -0.72 . . . . 15.0 109.055 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 30.0 m -89.01 120.96 30.9 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.979 -1.489 . . . . 15.0 106.979 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.44 102.32 15.0 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.422 -1.325 . . . . 15.0 107.422 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.693 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.82 91.31 3.53 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 113.715 -1.584 . . . . 15.0 108.326 -159.554 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.1 mttm -120.45 118.54 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.75 -1.113 . . . . 15.0 111.001 -168.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.571 ' OG1' ' HE2' ' A' ' 444' ' ' LYS . 30.9 p -134.23 150.51 51.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.664 -0.495 . . . . 15.0 109.664 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.98 -7.43 1.75 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.51 -7.83 22.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.675 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.62 8.09 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.636 -0.985 . . . . 15.0 110.636 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.571 ' HE2' ' OG1' ' A' ' 440' ' ' THR . 14.4 ttmm -97.42 112.41 24.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.578 . . . . 15.0 111.086 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 0.7 OUTLIER -114.29 89.6 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.778 169.446 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.858 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.0 tp -119.89 127.25 52.54 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.952 0.406 . . . . 15.0 110.959 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 38.3 m-85 -116.64 89.88 3.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.352 169.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -92.01 122.06 34.17 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.122 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.749 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -139.67 150.43 44.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.147 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.887 ' HA ' HD23 ' A' ' 453' ' ' LEU . 26.7 p-10 -90.65 6.99 41.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.498 -166.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.749 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.5 mtt180 -34.76 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.154 0.908 . . . . 15.0 110.73 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 23.6 p -120.13 0.68 10.75 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.242 -1.345 . . . . 15.0 109.064 173.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 73.76 51.22 0.12 Allowed 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 113.873 -1.512 . . . . 15.0 108.433 -159.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.1 108.23 19.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.846 -1.525 . . . . 15.0 108.89 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 m -97.01 101.63 13.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.057 -0.72 . . . . 15.0 109.057 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 458' ' ' GLU . 7.2 m -97.25 123.87 41.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.296 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.858 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 65.4 m95 -106.36 -0.17 24.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.706 0.765 . . . . 15.0 110.57 -172.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 456' ' ' THR . 45.2 mt-10 -113.52 127.57 56.13 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 165.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -59.87 119.29 39.82 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 112.889 0.7 . . . . 15.0 112.889 -163.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.46 -0.487 0 C-N-CA 123.244 2.629 . . . . 15.0 111.889 177.544 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.765 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 6.7 m95 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 86.0 m -89.63 129.79 36.02 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.487 -0.931 . . . . 15.0 108.487 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.436 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 2.1 mm-40 -89.18 108.09 19.41 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.974 1.421 . . . . 15.0 108.386 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.77 89.83 2.49 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 -162.049 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 54.5 mttp -136.61 114.32 11.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.949 -170.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 442' ' ' ASP . 40.8 p -119.07 150.42 40.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.651 -0.5 . . . . 15.0 109.651 174.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.75 15.31 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.454 0.539 . . . . 15.0 112.454 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 440' ' ' THR . 36.1 t70 -97.23 8.88 43.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.698 . . . . 15.0 109.331 176.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.4 34.89 7.72 Favored Glycine 0 N--CA 1.453 -0.211 0 CA-C-N 115.664 -0.698 . . . . 15.0 112.469 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.2 ttmt -107.1 106.88 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.582 0.23 . . . . 15.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.488 HG23 ' HE3' ' A' ' 439' ' ' LYS . 39.5 m -117.31 89.95 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.05 -0.722 . . . . 15.0 109.05 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.85 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.7 tp -123.44 126.96 47.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 15.0 111.827 -170.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.521 ' N ' HD12 ' A' ' 446' ' ' LEU . 14.2 m-85 -113.46 90.17 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.343 170.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -89.63 121.29 31.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.169 -0.468 . . . . 15.0 111.278 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.4 t30 -133.14 150.52 52.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 15.0 111.603 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.749 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.0 p30 -89.6 3.38 52.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.079 -0.964 . . . . 15.0 110.621 -167.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.765 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 5.0 mtp180 -36.11 -72.98 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.002 0.814 . . . . 15.0 111.613 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.8 p -119.78 0.52 10.91 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 80.97 40.91 0.06 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 113.706 -1.588 . . . . 15.0 107.739 -159.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 73.5 tt0 -89.74 117.85 28.91 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 113.551 -1.658 . . . . 15.0 108.968 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 65.5 m -108.88 114.91 29.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.513 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 20.7 p -91.82 119.14 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.741 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.85 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.6 m95 -99.62 2.67 44.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.11 0.957 . . . . 15.0 109.436 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -110.4 132.2 54.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.092 -1.413 . . . . 15.0 107.203 162.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -66.96 117.67 47.82 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.338 0.496 . . . . 15.0 112.338 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 123.662 2.908 . . . . 15.0 112.731 -179.445 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.9 m95 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.014 -0.736 . . . . 15.0 109.014 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.0 m -89.47 129.32 35.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -89.29 94.12 9.79 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.185 -1.413 . . . . 15.0 107.185 -175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -115.38 89.68 3.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.81 -1.552 . . . . 15.0 106.81 -163.54 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 87.5 mttt -138.0 119.28 14.65 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.503 -163.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 442' ' ' ASP . 32.7 p -140.77 150.79 43.82 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.24 1.11 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.004 0.431 . . . . 15.0 112.067 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 440' ' ' THR . 0.6 OUTLIER -66.82 -10.33 46.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.471 0.708 . . . . 15.0 110.463 170.422 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.38 11.03 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.672 -0.971 . . . . 15.0 110.672 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.3 ttmp? -100.49 107.22 18.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.087 -0.556 . . . . 15.0 111.022 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 52.2 m -112.64 89.95 3.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.9 tp -128.84 125.92 38.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.764 -0.653 . . . . 15.0 111.604 -167.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.4 m-85 -113.62 90.15 3.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.459 170.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -90.45 119.63 30.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.984 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.691 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 38.8 t30 -135.23 150.2 50.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 15.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.734 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.2 p-10 -85.4 -0.85 56.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.685 -165.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.664 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 18.6 mtp180 -32.64 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.247 0.967 . . . . 15.0 111.849 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.0 p -119.96 0.58 10.82 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.516 -1.22 . . . . 15.0 108.495 174.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mt 74.5 47.42 0.13 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 113.702 -1.59 . . . . 15.0 108.136 -161.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 29.0 tt0 -89.59 113.8 25.29 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.037 -1.438 . . . . 15.0 109.308 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.467 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 57.2 m -97.35 108.69 21.46 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.46 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.7 116.9 29.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.1 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 71.4 m95 -103.39 3.34 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.174 0.987 . . . . 15.0 110.156 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -111.14 150.1 29.94 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.781 -1.554 . . . . 15.0 106.915 163.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -76.87 116.45 57.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.584 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 123.378 2.719 . . . . 15.0 112.06 179.36 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 23.7 m -89.73 128.75 36.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 176.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.33 92.45 9.16 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.424 -1.325 . . . . 15.0 107.424 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.49 89.93 3.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.539 -1.664 . . . . 15.0 108.957 -162.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 445' ' ' THR . 19.3 mtmm -143.61 138.25 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.413 -171.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.572 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 36.5 p -130.4 150.37 51.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.63 -6.94 6.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -87.5 12.92 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.386 0.613 . . . . 15.0 110.245 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 69.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.011 -0.614 . . . . 15.0 112.925 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HB3' ' H ' ' A' ' 440' ' ' THR . 23.5 ttmm -144.6 127.4 16.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.538 HG23 ' HD2' ' A' ' 439' ' ' LYS . 93.6 m -136.92 93.86 2.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.408 0.623 . . . . 15.0 109.827 172.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.4 tp -126.12 129.4 49.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.949 . . . . 15.0 110.733 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.3 m-85 -117.99 91.81 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.383 0.611 . . . . 15.0 109.459 169.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 446' ' ' LEU . 59.4 t80 -89.84 124.74 34.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.824 -1.08 . . . . 15.0 111.51 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.775 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.4 t30 -138.26 150.65 46.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.501 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -87.28 5.05 40.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 15.0 110.349 -167.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.775 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 36.7 mtt180 -31.51 -77.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.666 1.228 . . . . 15.0 111.689 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -120.07 0.98 10.84 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.451 -1.314 . . . . 15.0 107.451 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 86.55 51.85 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.031 -1.895 . . . . 15.0 107.694 -158.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.413 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 43.4 tt0 -89.88 101.94 14.65 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.496 -1.684 . . . . 15.0 108.639 -177.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.7 m -101.02 112.0 24.34 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.8 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.2 p -91.65 112.95 25.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.7 m95 -99.88 -2.55 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.108 0.956 . . . . 15.0 108.58 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.91 134.75 54.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 105.899 -1.889 . . . . 15.0 105.899 162.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -60.2 126.56 84.35 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 15.0 112.919 -164.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.343 0.245 0 C-N-CA 123.239 2.626 . . . . 15.0 111.382 174.72 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.721 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 7.0 m95 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.063 -0.717 . . . . 15.0 109.063 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.8 m -89.51 135.22 33.72 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.051 -0.352 . . . . 15.0 110.051 -173.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.22 107.89 19.31 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.23 1.581 . . . . 15.0 108.007 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -134.12 90.02 2.63 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.853 -1.067 . . . . 15.0 108.152 -162.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 58.4 mttm -135.6 126.01 26.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 15.0 111.457 -168.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.0 p -139.52 150.55 45.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.79 -0.448 . . . . 15.0 109.79 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -3.68 1.26 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.33 0.586 . . . . 15.0 111.123 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.97 -5.9 34.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.53 -0.759 . . . . 15.0 110.541 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 56.18 1.86 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.782 -0.927 . . . . 15.0 110.782 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 13.9 ttmm -133.61 115.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 15.0 110.657 -173.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 39.0 m -127.61 90.34 3.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 171.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.7 tp -117.19 128.79 55.45 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.085 -173.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.494 ' N ' HD12 ' A' ' 446' ' ' LEU . 34.7 m-85 -108.35 89.78 3.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.186 166.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -89.84 115.62 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.177 -0.919 . . . . 15.0 111.195 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.727 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -130.7 150.21 51.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 15.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.755 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.9 p30 -89.84 4.76 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.619 -166.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.727 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 21.4 mtp180 -35.95 -75.78 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.102 0.876 . . . . 15.0 111.323 169.244 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.9 p -120.17 0.84 10.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.359 -1.291 . . . . 15.0 108.572 174.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.2 mt 75.26 45.76 0.13 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 113.819 -1.537 . . . . 15.0 108.238 -161.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 34.2 tt0 -89.76 119.12 29.88 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.166 -1.379 . . . . 15.0 108.433 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.66 14.57 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.351 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 15.3 p -94.58 117.46 30.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.055 -0.52 . . . . 15.0 110.568 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 53.5 m95 -99.37 4.17 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.848 1.309 . . . . 15.0 108.205 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 2.4 pt-20 -117.81 132.19 56.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.661 -2.063 . . . . 15.0 106.977 166.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 459' ' ' LYS . 35.0 mtpt -60.03 128.84 87.7 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 113.02 0.748 . . . . 15.0 113.02 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 56.5 Cg_endo . . . . . 0 N--CA 1.45 -1.032 0 C-N-CA 123.372 2.715 . . . . 15.0 111.214 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.798 ' HH2' HH11 ' A' ' 451' ' ' ARG . 9.2 m95 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 87.5 m -89.44 131.56 35.43 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 109.535 -0.543 . . . . 15.0 109.535 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.13 106.81 18.68 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 125.081 1.488 . . . . 15.0 108.313 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.455 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -132.42 89.97 2.73 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.34 -1.754 . . . . 15.0 108.151 -162.417 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.79 ' HE3' HG23 ' A' ' 445' ' ' THR . 65.3 mttp -138.03 136.63 37.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.174 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 75.0 p -131.41 150.1 52.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.325 -0.62 . . . . 15.0 109.325 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.97 14.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.436 0.532 . . . . 15.0 112.436 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -82.46 5.27 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 15.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 69.54 1.22 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.466 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 19.8 ttmm -134.69 108.8 8.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.79 HG23 ' HE3' ' A' ' 439' ' ' LYS . 36.9 m -115.16 91.1 3.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.064 0.459 . . . . 15.0 110.026 176.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.903 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.1 tp -120.52 126.99 51.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.933 -0.576 . . . . 15.0 111.496 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.449 ' N ' HD12 ' A' ' 446' ' ' LEU . 8.7 m-85 -110.19 89.75 3.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.548 -0.751 . . . . 15.0 108.982 168.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -90.18 120.9 31.73 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.092 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.706 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.0 t30 -136.72 150.36 48.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 15.0 111.451 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.7 p-10 -86.04 -1.0 56.95 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.894 -167.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.798 HH11 ' HH2' ' A' ' 435' ' ' TRP . 13.9 mtp180 -39.0 -73.71 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.902 0.858 . . . . 15.0 111.917 170.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 1.2 p -120.18 0.74 10.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.453 -1.249 . . . . 15.0 109.278 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 70.4 48.51 0.47 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.598 -159.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 10.1 tt0 -89.59 116.68 27.92 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.827 -1.533 . . . . 15.0 108.639 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.518 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.9 m -102.23 100.29 10.48 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.285 -0.87 . . . . 15.0 109.744 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.71 100.18 12.94 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.27 -177.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.903 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 67.7 m95 -88.52 2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.172 0.987 . . . . 15.0 109.415 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -110.33 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.669 -1.605 . . . . 15.0 107.108 165.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -72.37 114.83 33.15 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 120.862 0.363 . . . . 15.0 111.976 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 CA--C 1.534 0.517 0 C-N-CA 123.19 2.593 . . . . 15.0 113.941 -176.818 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.897 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 13.8 m95 . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 107.949 -1.13 . . . . 15.0 107.949 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.3 m -89.2 129.57 35.76 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.934 -0.765 . . . . 15.0 108.934 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.23 92.35 9.14 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.475 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -109.2 89.99 3.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.833 -1.985 . . . . 15.0 107.738 -165.192 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -132.12 126.98 35.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.348 -167.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.664 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 19.9 p -127.81 150.43 49.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.01 -21.11 60.91 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.523 0.515 . . . . 15.0 112.108 -172.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -91.87 63.73 4.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.987 0.422 . . . . 15.0 110.479 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 54.14 70.03 1.06 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.733 -0.667 . . . . 15.0 114.678 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.664 ' HB3' ' H ' ' A' ' 440' ' ' THR . 4.7 ttmp? -138.88 108.7 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.291 0.546 . . . . 15.0 110.589 172.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 27.2 m -119.16 90.0 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 172.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.874 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.5 tp -125.85 133.17 52.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.187 -172.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 436' ' ' THR . 59.1 m-85 -117.28 89.99 3.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.952 0.406 . . . . 15.0 110.255 169.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -89.7 123.5 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.787 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.897 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 18.2 t30 -137.3 150.07 47.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.758 -0.201 . . . . 15.0 111.431 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.484 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.8 p30 -81.47 -9.49 59.7 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.05 0.452 . . . . 15.0 110.647 -171.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 20.3 mtt180 -41.5 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.247 -0.888 . . . . 15.0 112.671 167.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 0.3 OUTLIER -120.12 0.38 10.7 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.039 -177.717 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 57.03 39.85 29.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 -155.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.749 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 24.9 tt0 -89.83 122.6 33.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 112.98 -1.918 . . . . 15.0 107.909 -172.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.625 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 97.3 p -117.03 106.04 12.95 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.975 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 10.6 p -90.03 127.73 36.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.316 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.874 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.5 m95 -106.41 1.08 25.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.576 1.179 . . . . 15.0 108.794 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.57 134.74 53.94 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.029 -1.896 . . . . 15.0 107.414 163.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.62 124.07 88.37 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.709 -0.397 . . . . 15.0 111.835 -173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo . . . . . 0 C--N 1.345 0.378 0 C-N-CA 123.395 2.73 . . . . 15.0 112.491 -179.424 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.737 ' HH2' HH11 ' A' ' 451' ' ' ARG . 4.0 m95 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 109.717 -0.475 . . . . 15.0 109.717 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 61.0 m -89.78 123.66 33.97 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.281 -1.007 . . . . 15.0 108.281 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -89.11 104.98 17.49 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.224 -1.399 . . . . 15.0 107.224 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.5 90.07 3.25 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.419 -1.264 . . . . 15.0 108.03 -162.194 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 96.5 mttt -125.08 131.06 53.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.415 -170.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.567 HG22 ' HB3' ' A' ' 444' ' ' LYS . 2.0 t -150.2 150.29 31.39 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.04 -5.67 1.1 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.515 0.51 . . . . 15.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.26 -10.07 51.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.352 0.596 . . . . 15.0 110.502 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 48.05 3.69 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.544 -0.623 . . . . 15.0 111.544 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HB3' HG22 ' A' ' 440' ' ' THR . 4.8 ttmp? -119.26 120.45 37.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.591 -0.305 . . . . 15.0 110.513 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 80.5 m -125.27 89.99 3.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.187 -0.671 . . . . 15.0 109.187 173.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.894 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.6 tp -125.37 130.69 52.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.263 -171.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 436' ' ' THR . 14.4 m-85 -116.13 89.87 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.99 -0.55 . . . . 15.0 109.645 170.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.61 122.96 33.24 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.069 -0.514 . . . . 15.0 111.028 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.671 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.1 t30 -137.88 150.42 47.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.114 0.483 . . . . 15.0 111.638 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.768 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.9 p30 -86.94 0.86 54.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.223 -0.898 . . . . 15.0 110.581 -167.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.737 HH11 ' HH2' ' A' ' 435' ' ' TRP . 21.6 mtp180 -35.02 -74.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 O-C-N 124.233 0.958 . . . . 15.0 111.523 171.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 20.3 p -120.01 0.5 10.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.731 -1.122 . . . . 15.0 108.401 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.8 mt 77.83 43.06 0.1 Allowed 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 113.608 -1.633 . . . . 15.0 108.381 -160.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 31.5 tt0 -89.71 116.67 28.0 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 114.065 -1.425 . . . . 15.0 108.456 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 24.6 m -104.79 111.02 23.6 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.859 -178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.92 116.13 27.75 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.324 0.583 . . . . 15.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.894 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.1 m95 -98.33 10.48 40.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.681 1.229 . . . . 15.0 108.506 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.667 -2.06 . . . . 15.0 107.36 169.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 9.5 mtpm? -65.17 124.8 87.88 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -173.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 95.0 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 C-N-CA 123.64 2.893 . . . . 15.0 112.426 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.846 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 9.3 m95 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.1 m -89.45 124.96 34.96 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.33 100.55 13.32 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 89.82 3.21 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.711 -1.586 . . . . 15.0 108.958 -161.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.9 mttp -124.74 123.92 41.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.534 -0.757 . . . . 15.0 110.431 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 442' ' ' ASP . 77.0 p -115.9 150.39 37.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.658 -0.497 . . . . 15.0 109.658 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 3.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 15.0 111.87 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.7 t70 -89.26 -2.13 58.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.674 . . . . 15.0 109.732 174.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 52.1 2.6 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.211 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.7 ttmt -114.69 119.32 36.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 57.1 m -120.06 92.57 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 15.0 109.983 174.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.3 tp -127.39 137.74 52.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.024 -172.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.5 m-85 -124.34 89.75 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.404 0.621 . . . . 15.0 110.083 172.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -89.71 120.74 31.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.466 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.707 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 23.3 t30 -131.03 150.25 52.23 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.99 0.424 . . . . 15.0 111.41 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.723 ' HA ' HD23 ' A' ' 453' ' ' LEU . 5.1 p-10 -89.07 8.3 30.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.848 -167.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.846 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 8.7 mtp180 -38.0 -75.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.936 0.773 . . . . 15.0 110.785 165.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 55.2 p -120.17 0.6 10.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.479 171.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 80.35 40.18 0.08 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.41 -1.268 . . . . 15.0 107.995 -162.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 39.4 tt0 -90.11 114.76 26.75 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.885 -1.507 . . . . 15.0 109.161 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.7 m -97.19 111.63 23.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.427 -0.806 . . . . 15.0 110.589 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 p -92.58 110.85 22.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.508 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 62.8 m95 -93.33 0.87 57.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.083 0.944 . . . . 15.0 109.278 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.47 135.78 54.61 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.957 -1.498 . . . . 15.0 106.957 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 49.8 mtpt -60.43 126.75 85.34 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 112.665 0.617 . . . . 15.0 112.665 -169.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 65.2 Cg_endo . . . . . 0 N--CA 1.457 -0.661 0 C-N-CA 123.325 2.683 . . . . 15.0 112.178 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 24.4 m95 . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.546 -0.539 . . . . 15.0 109.546 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 50.6 m -89.45 133.57 34.49 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 3.8 mm-40 -88.99 105.14 17.59 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 124.946 1.404 . . . . 15.0 108.737 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.25 89.7 2.9 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 113.206 -1.815 . . . . 15.0 107.244 -163.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.714 ' HE3' HG23 ' A' ' 445' ' ' THR . 62.3 mttp -138.32 133.1 32.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.749 -169.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.862 HG23 ' HE2' ' A' ' 444' ' ' LYS . 40.1 p -126.97 150.25 49.48 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.97 -0.382 . . . . 15.0 109.97 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.09 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 15.0 110.742 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.67 1.05 13.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.977 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 69.97 1.22 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.341 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 440' ' ' THR . 38.6 ttpt -138.11 112.88 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.108 -0.33 . . . . 15.0 110.108 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.714 HG23 ' HE3' ' A' ' 439' ' ' LYS . 22.5 m -116.58 89.89 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 15.0 109.62 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -127.09 131.36 50.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.054 0.454 . . . . 15.0 112.001 -170.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 14.2 m-85 -114.19 89.74 3.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.334 171.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.455 ' CE1' HD22 ' A' ' 453' ' ' LEU . 37.8 t80 -89.92 121.03 31.65 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.77 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.833 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 52.6 t30 -138.14 150.19 46.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.486 -0.486 . . . . 15.0 111.909 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.971 ' HA ' HD23 ' A' ' 453' ' ' LEU . 25.0 p30 -88.14 3.66 48.38 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.182 -0.917 . . . . 15.0 110.696 -165.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.833 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 32.3 mtt180 -38.4 -73.41 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.691 -1.141 . . . . 15.0 111.342 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 45.2 p -120.11 0.42 10.71 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.925 -1.034 . . . . 15.0 108.787 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.2 mt 70.66 51.0 0.34 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 113.756 -1.566 . . . . 15.0 109.468 -162.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.35 116.91 32.6 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.517 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.618 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 99.3 p -92.55 110.21 21.63 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.846 -0.798 . . . . 15.0 108.846 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 132.79 36.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.501 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.8 m95 -117.55 2.1 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.002 0.906 . . . . 15.0 109.442 -177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.87 125.32 48.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.128 -1.396 . . . . 15.0 108.181 167.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.561 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 7.1 mtpm? -61.73 128.56 90.49 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -171.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 3.0 Cg_endo . . . . . 0 N--CA 1.454 -0.801 0 C-N-CA 123.063 2.508 . . . . 15.0 110.127 169.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.604 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.0 m95 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 107.223 -1.399 . . . . 15.0 107.223 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 57.6 m -89.32 125.54 35.16 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.433 -0.951 . . . . 15.0 108.433 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 105.24 17.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 107.489 -1.3 . . . . 15.0 107.489 -171.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.442 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.88 89.96 2.96 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.496 -1.229 . . . . 15.0 108.478 -160.388 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.8 mtpm? -131.74 136.14 47.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.668 -170.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.1 p -143.84 150.47 38.54 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.529 -0.545 . . . . 15.0 109.529 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -8.58 2.14 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.538 0.685 . . . . 15.0 110.877 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.65 -14.32 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.048 -0.978 . . . . 15.0 111.162 170.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.39 8.85 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.16 -0.776 . . . . 15.0 111.16 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.8 ttmm -102.83 115.31 30.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.461 -0.37 . . . . 15.0 110.477 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 90.0 m -118.06 91.43 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.2 tp -126.33 133.47 51.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.672 -172.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.9 m-85 -124.95 92.24 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 15.0 110.04 170.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -89.87 124.75 34.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.712 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.9 t30 -137.39 150.62 47.81 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.663 ' HA ' HD23 ' A' ' 453' ' ' LEU . 34.0 p30 -86.78 2.89 47.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.793 -166.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.772 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 24.5 mtt180 -34.69 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.349 1.031 . . . . 15.0 111.368 171.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 29.1 p -120.1 0.64 10.76 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.267 -1.333 . . . . 15.0 108.342 173.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 77.84 45.59 0.07 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.811 -1.541 . . . . 15.0 107.898 -161.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 43.8 tt0 -89.65 111.05 21.89 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.678 -1.601 . . . . 15.0 108.737 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.0 m -101.84 113.67 27.06 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.84 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.463 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.7 OUTLIER -90.98 114.07 26.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.874 -179.212 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.5 m95 -101.26 -6.02 24.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.818 0.818 . . . . 15.0 109.499 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -105.79 125.67 51.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.184 -1.371 . . . . 15.0 107.367 163.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.25 118.6 38.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 15.0 111.879 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.461 -0.388 0 C-N-CA 123.075 2.517 . . . . 15.0 111.786 178.792 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.433 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 4.2 m95 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.092 -0.707 . . . . 15.0 109.092 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 28.5 m -89.6 125.92 35.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.886 -0.783 . . . . 15.0 108.886 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.34 109.43 20.33 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.338 -1.356 . . . . 15.0 107.338 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.436 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.18 89.96 3.0 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.914 -1.039 . . . . 15.0 108.705 -160.649 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.4 mttt -123.6 114.93 20.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.034 -171.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.2 p -129.21 150.41 50.6 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.034 -0.416 . . . . 15.0 110.228 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.33 -3.55 4.26 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.267 0.556 . . . . 15.0 111.478 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -75.53 -0.01 18.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.509 -0.769 . . . . 15.0 110.407 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.92 1.75 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.123 -0.791 . . . . 15.0 111.123 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.5 ttmm -135.55 113.56 11.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 15.0 110.868 -175.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 32.2 m -123.7 89.97 3.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.391 -0.966 . . . . 15.0 108.391 170.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.883 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.1 tp -124.81 131.58 53.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.925 -166.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.589 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -120.32 91.89 3.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.509 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.59 127.66 35.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.231 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.758 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 48.1 t30 -141.77 150.57 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.76 -176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.744 ' HA ' HD23 ' A' ' 453' ' ' LEU . 32.7 p30 -85.31 2.2 45.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.651 -166.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.758 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 33.4 mtp180 -28.97 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 124.716 1.26 . . . . 15.0 111.703 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 71.5 p -119.93 0.7 10.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 171.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 79.16 71.64 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 112.682 -2.054 . . . . 15.0 108.081 -156.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.47 126.23 49.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.348 -1.751 . . . . 15.0 108.499 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.603 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 46.3 p -115.79 118.25 32.51 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.284 0.564 . . . . 15.0 109.879 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 104.73 17.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.934 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.883 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.6 m95 -90.1 1.25 56.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.037 0.922 . . . . 15.0 109.441 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.64 123.69 49.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.9 -1.5 . . . . 15.0 107.361 160.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.8 121.11 55.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -167.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 123.323 2.682 . . . . 15.0 113.238 -179.216 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.684 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 12.2 m95 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.094 -1.076 . . . . 15.0 108.094 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.4 m -89.28 125.02 34.93 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 108.454 -0.943 . . . . 15.0 108.454 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.38 92.16 9.02 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 106.65 -1.611 . . . . 15.0 106.65 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.492 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -111.84 89.76 3.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 113.516 -1.675 . . . . 15.0 106.803 -163.124 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 29.2 mtpt -135.6 122.71 21.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.069 -0.969 . . . . 15.0 110.164 -164.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 442' ' ' ASP . 2.8 t -150.19 150.33 31.45 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.025 0.375 . . . . 15.0 110.238 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.42 -0.97 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.764 0.426 . . . . 15.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 440' ' ' THR . 20.6 t70 -68.25 -9.28 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.511 0.672 . . . . 15.0 110.094 171.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 63.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.633 -0.987 . . . . 15.0 110.633 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 14.3 ttmm -144.65 109.38 4.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.61 0.243 . . . . 15.0 110.593 -173.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 33.3 m -116.5 89.82 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.6 tp -126.75 131.3 51.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.741 -0.663 . . . . 15.0 111.284 -169.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.1 m-85 -122.1 89.97 3.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.362 0.601 . . . . 15.0 109.745 170.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -89.85 122.75 33.2 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.208 -0.906 . . . . 15.0 111.403 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.668 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -131.92 150.49 52.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.097 0.475 . . . . 15.0 111.288 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.4 p30 -84.65 1.3 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.501 -167.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.684 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 17.3 mtp180 -37.6 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.001 0.813 . . . . 15.0 111.551 170.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 13.1 p -117.86 0.67 11.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.615 -1.175 . . . . 15.0 108.574 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 76.71 42.44 0.15 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 113.714 -1.585 . . . . 15.0 108.231 -164.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 33.8 tt0 -89.72 114.71 26.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.457 -1.247 . . . . 15.0 108.921 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 24.8 m -99.43 112.38 24.58 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.756 -1.111 . . . . 15.0 109.922 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 2.9 p -93.13 119.08 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.176 0.512 . . . . 15.0 110.782 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -103.76 3.42 34.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.002 0.906 . . . . 15.0 109.033 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -113.61 125.38 54.1 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.863 -1.517 . . . . 15.0 107.275 163.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.07 121.35 58.27 Favored Pre-proline 0 C--N 1.327 -0.382 0 O-C-N 123.205 0.316 . . . . 15.0 111.65 -170.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 CA--C 1.537 0.647 0 C-N-CA 122.888 2.392 . . . . 15.0 112.509 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.663 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 6.7 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.2 m -89.65 127.59 35.94 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.688 -1.227 . . . . 15.0 107.688 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -88.96 103.78 16.36 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 107.154 -1.424 . . . . 15.0 107.154 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -122.36 96.65 5.13 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.653 -1.158 . . . . 15.0 108.271 -161.559 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 98.7 mttt -128.67 127.86 42.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.578 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 444' ' ' LYS . 19.8 p -136.94 150.44 48.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.57 -2.94 0.87 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.209 0.448 . . . . 15.0 112.209 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.97 0.18 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.335 0.588 . . . . 15.0 109.959 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.25 28.9 15.98 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.656 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.8 ttmt -91.45 113.45 25.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.626 0.251 . . . . 15.0 110.485 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -123.74 89.94 3.18 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -125.79 132.83 52.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.615 -0.721 . . . . 15.0 112.031 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.53 ' N ' HD12 ' A' ' 446' ' ' LEU . 85.5 m-85 -120.85 90.68 3.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.882 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.76 122.14 32.56 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.71 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.693 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 33.6 t30 -138.04 150.57 47.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.92 ' HA ' HD23 ' A' ' 453' ' ' LEU . 10.1 p30 -83.38 -2.49 55.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.492 -0.777 . . . . 15.0 110.756 -164.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.693 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.3 mtt180 -24.07 -73.41 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 125.048 1.467 . . . . 15.0 111.853 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -119.98 0.69 10.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.247 -1.39 . . . . 15.0 107.247 167.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.92 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 81.79 68.99 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 112.812 -1.995 . . . . 15.0 108.128 -159.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.414 ' HB2' HG22 ' A' ' 452' ' ' THR . 28.4 tt0 -119.23 108.48 14.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.655 -1.611 . . . . 15.0 108.656 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 20.3 m -95.28 113.55 25.23 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.127 -0.942 . . . . 15.0 109.519 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.17 127.79 41.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.328 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.9 m95 -109.2 -2.17 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.105 0.955 . . . . 15.0 109.299 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -117.05 128.89 55.61 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 113.997 -1.456 . . . . 15.0 107.471 162.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -59.91 119.5 41.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -167.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.347 0.481 0 C-N-CA 123.261 2.641 . . . . 15.0 113.025 -179.051 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.606 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.6 m95 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.311 -0.625 . . . . 15.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.5 m -89.63 127.66 35.94 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -89.16 95.69 10.41 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.002 -1.481 . . . . 15.0 107.002 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.26 89.83 3.14 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 113.411 -1.722 . . . . 15.0 107.498 -163.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.2 mtpm? -130.69 126.71 37.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.011 -169.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.5 p -134.09 150.63 51.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.9 -3.98 0.64 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.997 0.369 . . . . 15.0 111.997 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.23 -6.71 41.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 15.0 110.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 34.16 8.3 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.316 -0.714 . . . . 15.0 111.316 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 21.2 ttmm -96.67 122.15 39.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.579 0.228 . . . . 15.0 110.657 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 74.3 m -123.78 91.57 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.3 tp -129.75 134.26 47.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.063 -170.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.4 m-85 -117.83 89.71 3.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.43 0.633 . . . . 15.0 109.708 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -90.38 126.49 35.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.817 -1.083 . . . . 15.0 111.41 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.624 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 47.7 t30 -146.2 150.38 35.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.991 0.424 . . . . 15.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.814 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.8 p-10 -89.88 5.03 48.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.964 -0.562 . . . . 15.0 110.823 -162.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.624 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 37.6 mtt180 -31.98 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.517 1.136 . . . . 15.0 112.153 173.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 8.8 t -120.19 0.73 10.73 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.273 -1.38 . . . . 15.0 107.273 169.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 80.42 68.31 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.021 -1.899 . . . . 15.0 108.236 -158.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -109.61 113.67 26.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.884 -1.507 . . . . 15.0 108.694 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 18.7 m -109.76 111.31 22.68 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.901 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.1 p -91.82 119.53 31.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.632 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.6 m95 -100.81 4.92 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.406 1.098 . . . . 15.0 108.85 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -117.9 128.02 54.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.16 -1.837 . . . . 15.0 106.977 165.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -59.79 121.3 56.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.732 0.301 . . . . 15.0 111.237 -171.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo . . . . . 0 C--N 1.344 0.316 0 C-N-CA 123.039 2.493 . . . . 15.0 112.089 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.654 0.264 . . . . 15.0 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.469 ' HB ' HD13 ' A' ' 463' ' ' LEU . 8.1 p -101.29 161.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.0 t -85.44 -25.36 26.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.886 0.374 . . . . 15.0 111.048 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -72.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.447 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.778 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 21.1 m95 -90.13 145.99 24.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.192 -0.458 . . . . 15.0 109.934 -169.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 90.8 m -89.47 126.19 35.48 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -89.25 110.52 21.27 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.707 -1.22 . . . . 15.0 107.707 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -130.9 89.86 2.81 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.88 -161.324 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 99.1 mttt -131.74 134.23 45.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.412 -168.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.9 p -137.77 150.22 47.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.672 . . . . 15.0 109.187 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.49 -4.23 2.66 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.961 0.41 . . . . 15.0 111.726 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.43 -2.71 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.473 0.654 . . . . 15.0 110.298 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 60.04 1.44 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.715 -0.675 . . . . 15.0 111.546 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 23.4 ttmm -128.39 112.8 14.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.053 -0.351 . . . . 15.0 110.053 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 78.4 m -121.38 89.96 3.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.891 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -123.54 129.52 51.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.293 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 60.2 m-85 -120.72 94.45 4.36 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.574 169.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -89.56 121.42 31.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.297 -0.865 . . . . 15.0 110.688 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.3 t30 -138.7 150.58 46.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.649 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.602 ' HA ' HD23 ' A' ' 453' ' ' LEU . 27.0 p30 -85.72 4.46 36.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.497 -163.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.778 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 10.9 mtp180 -31.62 -76.11 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.57 1.169 . . . . 15.0 111.772 170.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -120.09 0.59 10.75 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.859 -1.163 . . . . 15.0 107.859 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.7 mt 83.98 49.13 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 113.284 -1.78 . . . . 15.0 107.433 -158.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.637 ' HB2' HG22 ' A' ' 452' ' ' THR . 53.7 tt0 -89.83 110.65 21.57 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 113.763 -1.562 . . . . 15.0 108.937 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 63.0 m -93.21 111.03 22.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.845 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.9 OUTLIER -95.62 109.29 21.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.319 0.581 . . . . 15.0 110.926 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.891 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 57.4 m95 -99.39 -1.56 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.48 1.133 . . . . 15.0 108.478 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -108.7 130.01 55.35 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.287 -1.779 . . . . 15.0 107.027 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -59.94 118.66 34.38 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 15.0 111.539 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.22 160.48 32.79 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.901 2.401 . . . . 15.0 111.728 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.82 -9.64 58.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.343 0.592 . . . . 15.0 110.585 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -86.82 -4.42 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.404 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.469 HD13 ' HB ' ' A' ' 432' ' ' VAL . 39.2 tp -150.75 127.41 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.839 0.352 . . . . 15.0 110.804 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tptt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.584 -0.722 . . . . 15.0 111.011 -176.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.374 -0.232 . . . . 15.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.26 8.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.93 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.1 m -154.13 100.7 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.84 -15.63 20.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.798 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.684 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 12.0 m95 -89.92 141.83 28.27 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 -174.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 96.4 m -89.59 130.87 35.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.874 -0.787 . . . . 15.0 108.874 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -89.05 111.24 21.93 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 124.902 1.376 . . . . 15.0 107.728 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.72 89.89 2.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.499 -1.228 . . . . 15.0 108.109 -162.546 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 85.7 mttt -136.91 135.39 37.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.838 -169.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -148.3 150.53 33.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.041 -0.726 . . . . 15.0 109.041 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -10.35 3.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.849 0.357 . . . . 15.0 111.902 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -11.24 5.39 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.678 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 32.69 9.46 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.774 -0.93 . . . . 15.0 110.774 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.0 ttmp? -99.64 110.26 22.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.962 -0.619 . . . . 15.0 109.95 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 83.3 m -116.24 91.1 3.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.0 tp -122.71 122.46 38.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 15.0 111.966 -171.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.434 ' N ' HD12 ' A' ' 446' ' ' LEU . 20.6 m-85 -108.36 90.24 3.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.12 168.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -89.69 118.02 28.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.901 0.382 . . . . 15.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.684 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 29.7 t30 -139.32 150.39 45.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.247 0.546 . . . . 15.0 110.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.9 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.1 p30 -92.29 6.3 47.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.985 -163.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 34.1 mtp180 -27.44 -77.24 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.732 1.27 . . . . 15.0 111.427 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 6.9 t -120.09 0.76 10.79 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.75 -1.574 . . . . 15.0 106.75 169.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.9 HD23 ' HA ' ' A' ' 450' ' ' ASN . 1.8 mt 83.62 75.2 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.647 -2.07 . . . . 15.0 108.757 -159.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -114.68 111.44 21.31 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.835 -1.53 . . . . 15.0 108.993 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.0 m -102.16 106.32 17.16 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.681 -0.691 . . . . 15.0 109.698 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.4 ' HB ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -90.3 106.72 18.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.034 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.1 m95 -94.42 -3.03 50.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.422 1.106 . . . . 15.0 109.102 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.38 133.87 52.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.325 -1.761 . . . . 15.0 106.531 163.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.46 118.37 56.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 112.274 0.472 . . . . 15.0 112.274 -167.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HD3' ' HB ' ' A' ' 456' ' ' THR . 73.0 Cg_endo -76.63 149.57 30.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.114 2.542 . . . . 15.0 112.417 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.565 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.43 9.84 30.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.241 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -43.26 71.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.232 0.539 . . . . 15.0 110.579 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.57 28.62 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.698 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 18.9 tptp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.403 -0.808 . . . . 15.0 111.777 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.9 0.381 . . . . 15.0 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t -102.3 -50.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 15.0 110.151 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 29.0 m -124.95 102.7 7.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.777 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.5 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.548 0.689 . . . . 15.0 110.602 177.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 41.6 m95 -89.88 146.77 24.18 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.034 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.7 m -89.41 132.24 35.09 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.815 -0.809 . . . . 15.0 108.815 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -89.05 95.96 10.53 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.389 -1.338 . . . . 15.0 107.389 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.75 89.68 3.17 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.678 -1.601 . . . . 15.0 107.68 -163.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 94.3 mttt -137.8 134.8 35.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.393 -168.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 55.7 p -139.04 150.81 46.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -5.73 1.3 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.424 0.63 . . . . 15.0 111.113 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -9.42 42.98 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.037 -0.983 . . . . 15.0 110.588 170.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 32.53 9.74 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.601 -0.599 . . . . 15.0 111.601 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.9 ttmp? -96.1 113.65 25.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.491 -0.355 . . . . 15.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 87.3 m -114.86 91.59 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.708 -0.479 . . . . 15.0 109.708 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.2 tp -127.44 125.77 41.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.486 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 47.5 m-85 -110.98 89.85 3.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.418 -0.81 . . . . 15.0 109.037 169.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -89.87 118.55 29.54 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.968 -0.56 . . . . 15.0 111.597 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.739 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -133.46 150.4 51.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 15.0 110.268 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.675 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -88.01 5.45 40.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.347 -166.511 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.739 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 42.6 mtt180 -28.59 -77.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.727 1.267 . . . . 15.0 111.831 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 69.9 p -120.08 0.67 10.77 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.01 -1.45 . . . . 15.0 107.172 171.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.7 mt 79.88 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.839 -1.982 . . . . 15.0 107.632 -154.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.43 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 33.7 tt0 -110.32 103.18 11.81 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.492 -1.686 . . . . 15.0 108.715 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.5 m -100.23 109.44 21.68 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.08 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.431 ' CB ' ' HG3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -94.1 113.95 26.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.467 -178.098 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -97.54 6.23 48.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.275 1.036 . . . . 15.0 110.033 -178.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.06 136.05 54.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.413 -1.721 . . . . 15.0 106.584 165.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mtmm -59.85 115.99 15.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 117.928 0.331 . . . . 15.0 111.517 -171.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 2.9 Cg_exo -72.49 145.29 42.13 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.112 2.541 . . . . 15.0 112.427 -176.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.568 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 1.0 OUTLIER -83.03 10.75 7.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.93 178.455 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.86 -7.22 59.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.149 0.499 . . . . 15.0 110.141 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.24 128.03 56.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.177 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.637 -0.696 . . . . 15.0 110.159 177.904 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.315 -0.254 . . . . 15.0 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.18 -28.49 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 15.0 110.519 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.7 m -73.19 152.76 40.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.127 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.27 -34.4 73.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.475 0.655 . . . . 15.0 110.51 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.781 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 26.1 m95 -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.813 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 71.3 m -89.22 125.27 35.01 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.654 -1.239 . . . . 15.0 107.654 176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.32 104.05 16.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.577 -1.268 . . . . 15.0 107.577 -171.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -122.46 89.96 3.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.178 -1.374 . . . . 15.0 109.061 -161.198 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 43.1 mttm -131.28 140.72 49.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.609 -1.178 . . . . 15.0 110.293 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 444' ' ' LYS . 0.5 OUTLIER -150.05 149.08 29.82 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 176.577 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.91 -6.27 7.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.126 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.57 -0.32 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.088 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.77 -0.65 . . . . 15.0 112.64 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.658 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 ttmt -148.67 122.33 9.22 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.851 -0.205 . . . . 15.0 110.805 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 94.0 m -128.63 96.25 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 15.0 109.897 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.4 tp -127.52 136.51 51.83 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.732 -0.667 . . . . 15.0 111.0 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.657 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 97.4 m-85 -120.72 90.04 3.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.609 169.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -89.95 121.39 32.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.466 -0.788 . . . . 15.0 111.353 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 30.3 t30 -136.78 150.44 48.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.117 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.764 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.2 p-10 -87.45 7.6 28.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.158 -166.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.781 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 14.8 mtp180 -28.7 -75.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.575 1.172 . . . . 15.0 111.731 165.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 82.7 p -120.23 0.8 10.72 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 169.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 81.06 48.02 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 113.246 -1.797 . . . . 15.0 107.51 -157.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -89.9 121.5 32.07 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 113.686 -1.597 . . . . 15.0 108.786 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.5 m -109.37 104.2 13.27 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.343 -0.844 . . . . 15.0 109.889 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m -92.06 121.69 33.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.072 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 69.9 m95 -106.74 -3.54 20.38 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.626 0.727 . . . . 15.0 110.33 -176.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.31 131.77 52.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.828 -1.545 . . . . 15.0 106.828 164.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -61.01 119.45 45.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 15.0 112.083 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.13 -173.35 1.8 Allowed 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.051 2.501 . . . . 15.0 112.235 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -111.34 -7.99 14.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.259 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.722 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.8 mp0 -89.93 89.54 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.187 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -127.73 -14.46 5.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.905 0.335 . . . . 15.0 111.905 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.712 -0.661 . . . . 15.0 110.764 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.756 -0.461 . . . . 15.0 109.756 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.88 -28.57 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.143 0.497 . . . . 15.0 109.917 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.8 p -148.1 112.9 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 15.0 109.6 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.49 -53.15 46.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.723 0.773 . . . . 15.0 109.752 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 8.2 m95 -90.03 139.32 30.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.132 -174.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 39.3 m -89.7 129.33 36.14 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -89.25 100.57 13.32 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 107.573 -1.269 . . . . 15.0 107.573 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.55 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -118.93 90.02 3.25 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.338 -1.755 . . . . 15.0 107.227 -163.711 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -136.32 132.91 36.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.045 -0.979 . . . . 15.0 110.645 -165.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.9 p -135.13 150.23 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.125 -0.324 . . . . 15.0 110.125 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.24 -6.05 1.91 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 15.0 111.405 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.05 -6.7 49.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.505 -0.77 . . . . 15.0 110.085 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 63.68 1.25 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.652 -0.579 . . . . 15.0 111.652 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.4 ttmp? -130.23 113.05 13.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.45 . . . . 15.0 110.073 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 94.6 m -116.2 89.78 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 174.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -124.9 126.63 45.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.097 0.475 . . . . 15.0 111.839 -172.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 455' ' ' SER . 8.1 m-85 -111.73 92.27 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.681 168.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.8 116.12 27.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 15.0 110.682 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.701 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 36.7 t30 -134.63 150.51 50.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.599 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.798 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.1 p30 -88.08 -0.2 56.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.079 -163.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.701 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 51.6 mtp180 -24.16 -80.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.872 1.358 . . . . 15.0 112.001 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 7.5 t -117.62 0.76 12.14 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.687 -1.598 . . . . 15.0 106.687 167.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mt 84.77 74.93 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 112.646 -2.07 . . . . 15.0 108.384 -159.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -116.52 112.43 21.36 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 113.729 -1.578 . . . . 15.0 108.839 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 70.4 m -102.03 105.07 15.77 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.288 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 7.2 p -91.14 116.8 29.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.522 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 60.4 m95 -99.54 5.58 46.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.397 1.094 . . . . 15.0 108.588 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.43 124.1 46.84 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.211 -1.813 . . . . 15.0 107.123 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.7 119.27 49.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.662 0.615 . . . . 15.0 112.662 -168.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.58 -171.65 1.3 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.539 2.826 . . . . 15.0 112.632 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.97 -3.47 12.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.283 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' A' ' 464' ' ' LYS . 2.8 mp0 -76.42 114.76 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.346 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.3 tt 72.83 -26.53 0.18 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.552 0.741 . . . . 15.0 112.221 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.627 -0.701 . . . . 15.0 110.172 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.958 0.409 . . . . 15.0 110.686 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.9 m -125.24 144.57 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.813 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.5 m -110.26 105.93 15.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.045 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.14 -39.65 63.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.43 1.109 . . . . 15.0 108.405 170.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 4.8 m95 -97.52 150.48 21.05 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.298 -1.774 . . . . 15.0 109.055 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 30.0 m -89.01 120.96 30.9 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.979 -1.489 . . . . 15.0 106.979 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.44 102.32 15.0 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.422 -1.325 . . . . 15.0 107.422 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.693 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.82 91.31 3.53 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 113.715 -1.584 . . . . 15.0 108.326 -159.554 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.1 mttm -120.45 118.54 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.75 -1.113 . . . . 15.0 111.001 -168.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.571 ' OG1' ' HE2' ' A' ' 444' ' ' LYS . 30.9 p -134.23 150.51 51.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.664 -0.495 . . . . 15.0 109.664 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.98 -7.43 1.75 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.51 -7.83 22.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.675 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.62 8.09 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.636 -0.985 . . . . 15.0 110.636 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.571 ' HE2' ' OG1' ' A' ' 440' ' ' THR . 14.4 ttmm -97.42 112.41 24.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.578 . . . . 15.0 111.086 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 0.7 OUTLIER -114.29 89.6 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.778 169.446 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.858 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.0 tp -119.89 127.25 52.54 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.952 0.406 . . . . 15.0 110.959 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 38.3 m-85 -116.64 89.88 3.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.352 169.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -92.01 122.06 34.17 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.122 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.749 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -139.67 150.43 44.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.147 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.887 ' HA ' HD23 ' A' ' 453' ' ' LEU . 26.7 p-10 -90.65 6.99 41.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.498 -166.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.749 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.5 mtt180 -34.76 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.154 0.908 . . . . 15.0 110.73 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 23.6 p -120.13 0.68 10.75 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.242 -1.345 . . . . 15.0 109.064 173.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 73.76 51.22 0.12 Allowed 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 113.873 -1.512 . . . . 15.0 108.433 -159.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.1 108.23 19.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.846 -1.525 . . . . 15.0 108.89 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 m -97.01 101.63 13.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.057 -0.72 . . . . 15.0 109.057 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 458' ' ' GLU . 7.2 m -97.25 123.87 41.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.296 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.858 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 65.4 m95 -106.36 -0.17 24.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.706 0.765 . . . . 15.0 110.57 -172.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 456' ' ' THR . 45.2 mt-10 -113.52 127.57 56.13 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 165.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -59.87 119.29 39.82 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 112.889 0.7 . . . . 15.0 112.889 -163.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -82.66 149.01 14.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 123.244 2.629 . . . . 15.0 111.889 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.43 15.02 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.071 -174.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.448 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 28.4 mm-40 -71.05 -3.4 19.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.539 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.47 108.0 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.449 . . . . 15.0 110.714 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.526 -0.75 . . . . 15.0 109.742 177.648 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.786 0.327 . . . . 15.0 110.54 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 23.0 m -105.93 139.94 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.959 0.409 . . . . 15.0 110.522 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.8 p -103.96 96.43 6.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.158 0.504 . . . . 15.0 110.694 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.24 -10.8 53.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.943 0.878 . . . . 15.0 109.744 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.765 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 6.7 m95 -89.71 139.83 30.18 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.996 -173.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 86.0 m -89.63 129.79 36.02 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.487 -0.931 . . . . 15.0 108.487 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.436 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 2.1 mm-40 -89.18 108.09 19.41 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.974 1.421 . . . . 15.0 108.386 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.77 89.83 2.49 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 -162.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 54.5 mttp -136.61 114.32 11.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.949 -170.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 442' ' ' ASP . 40.8 p -119.07 150.42 40.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.651 -0.5 . . . . 15.0 109.651 174.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.75 15.31 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.454 0.539 . . . . 15.0 112.454 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 440' ' ' THR . 36.1 t70 -97.23 8.88 43.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.698 . . . . 15.0 109.331 176.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.4 34.89 7.72 Favored Glycine 0 N--CA 1.453 -0.211 0 CA-C-N 115.664 -0.698 . . . . 15.0 112.469 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.2 ttmt -107.1 106.88 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.582 0.23 . . . . 15.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.488 HG23 ' HE3' ' A' ' 439' ' ' LYS . 39.5 m -117.31 89.95 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.05 -0.722 . . . . 15.0 109.05 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.85 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.7 tp -123.44 126.96 47.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 15.0 111.827 -170.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.521 ' N ' HD12 ' A' ' 446' ' ' LEU . 14.2 m-85 -113.46 90.17 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.343 170.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -89.63 121.29 31.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.169 -0.468 . . . . 15.0 111.278 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.4 t30 -133.14 150.52 52.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 15.0 111.603 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.749 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.0 p30 -89.6 3.38 52.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.079 -0.964 . . . . 15.0 110.621 -167.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.765 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 5.0 mtp180 -36.11 -72.98 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.002 0.814 . . . . 15.0 111.613 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.8 p -119.78 0.52 10.91 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 80.97 40.91 0.06 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 113.706 -1.588 . . . . 15.0 107.739 -159.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 73.5 tt0 -89.74 117.85 28.91 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 113.551 -1.658 . . . . 15.0 108.968 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 65.5 m -108.88 114.91 29.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.513 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 20.7 p -91.82 119.14 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.741 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.85 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.6 m95 -99.62 2.67 44.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.11 0.957 . . . . 15.0 109.436 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -110.4 132.2 54.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.092 -1.413 . . . . 15.0 107.203 162.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -66.96 117.67 47.82 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.338 0.496 . . . . 15.0 112.338 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.636 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 94.6 Cg_endo -85.62 162.1 10.82 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.662 2.908 . . . . 15.0 112.731 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.2 mp0 -93.36 8.35 40.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.389 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 6.1 mm-40 -82.37 26.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.161 -173.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.1 mt -93.57 -133.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.915 0.388 . . . . 15.0 110.812 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.504 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 9.4 mtmp? . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.184 -0.913 . . . . 15.0 109.552 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.23 -0.285 . . . . 15.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 433' ' ' SER . 9.9 p -163.12 165.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.367 -0.234 . . . . 15.0 110.367 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.421 ' H ' HG22 ' A' ' 432' ' ' VAL . 5.9 t 66.88 80.42 0.22 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.581 0.705 . . . . 15.0 109.887 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 434' ' ' GLU . 4.0 mp0 -67.78 -48.43 66.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.9 -1.045 . . . . 15.0 110.583 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.9 m95 -89.79 146.04 24.75 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.014 -169.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.0 m -89.47 129.32 35.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -89.29 94.12 9.79 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.185 -1.413 . . . . 15.0 107.185 -175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -115.38 89.68 3.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.81 -1.552 . . . . 15.0 106.81 -163.54 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 87.5 mttt -138.0 119.28 14.65 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.503 -163.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 442' ' ' ASP . 32.7 p -140.77 150.79 43.82 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.24 1.11 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.004 0.431 . . . . 15.0 112.067 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 440' ' ' THR . 0.6 OUTLIER -66.82 -10.33 46.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.471 0.708 . . . . 15.0 110.463 170.422 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.38 11.03 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.672 -0.971 . . . . 15.0 110.672 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.3 ttmp? -100.49 107.22 18.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.087 -0.556 . . . . 15.0 111.022 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 52.2 m -112.64 89.95 3.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.9 tp -128.84 125.92 38.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.764 -0.653 . . . . 15.0 111.604 -167.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.4 m-85 -113.62 90.15 3.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.459 170.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -90.45 119.63 30.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.984 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.691 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 38.8 t30 -135.23 150.2 50.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 15.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.734 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.2 p-10 -85.4 -0.85 56.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.685 -165.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.664 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 18.6 mtp180 -32.64 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.247 0.967 . . . . 15.0 111.849 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.0 p -119.96 0.58 10.82 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.516 -1.22 . . . . 15.0 108.495 174.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mt 74.5 47.42 0.13 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 113.702 -1.59 . . . . 15.0 108.136 -161.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 29.0 tt0 -89.59 113.8 25.29 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.037 -1.438 . . . . 15.0 109.308 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.467 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 57.2 m -97.35 108.69 21.46 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.46 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.7 116.9 29.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.1 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 71.4 m95 -103.39 3.34 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.174 0.987 . . . . 15.0 110.156 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -111.14 150.1 29.94 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.781 -1.554 . . . . 15.0 106.915 163.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -76.87 116.45 57.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.584 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.777 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 73.4 Cg_endo -79.35 152.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.378 2.719 . . . . 15.0 112.06 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -97.87 6.42 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.41 0.624 . . . . 15.0 109.599 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 mm-40 -69.43 -9.01 51.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.671 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.86 118.27 18.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.078 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.474 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.982 0 O-C-N 124.38 1.05 . . . . 15.0 109.714 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 111.382 0.142 . . . . 15.0 111.382 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 87.5 t 73.25 -53.84 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 122.93 0.492 . . . . 15.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 33.5 m -95.85 84.67 3.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.04 -0.726 . . . . 15.0 109.04 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.82 -83.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.457 -0.792 . . . . 15.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -89.84 127.58 36.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.751 -172.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 23.7 m -89.73 128.75 36.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 176.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.33 92.45 9.16 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.424 -1.325 . . . . 15.0 107.424 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.49 89.93 3.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.539 -1.664 . . . . 15.0 108.957 -162.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 445' ' ' THR . 19.3 mtmm -143.61 138.25 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.413 -171.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.572 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 36.5 p -130.4 150.37 51.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.63 -6.94 6.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -87.5 12.92 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.386 0.613 . . . . 15.0 110.245 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 69.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.011 -0.614 . . . . 15.0 112.925 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HB3' ' H ' ' A' ' 440' ' ' THR . 23.5 ttmm -144.6 127.4 16.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.538 HG23 ' HD2' ' A' ' 439' ' ' LYS . 93.6 m -136.92 93.86 2.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.408 0.623 . . . . 15.0 109.827 172.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.4 tp -126.12 129.4 49.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.949 . . . . 15.0 110.733 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.3 m-85 -117.99 91.81 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.383 0.611 . . . . 15.0 109.459 169.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 446' ' ' LEU . 59.4 t80 -89.84 124.74 34.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.824 -1.08 . . . . 15.0 111.51 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.775 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.4 t30 -138.26 150.65 46.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.501 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -87.28 5.05 40.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 15.0 110.349 -167.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.775 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 36.7 mtt180 -31.51 -77.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.666 1.228 . . . . 15.0 111.689 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -120.07 0.98 10.84 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.451 -1.314 . . . . 15.0 107.451 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 86.55 51.85 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.031 -1.895 . . . . 15.0 107.694 -158.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.413 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 43.4 tt0 -89.88 101.94 14.65 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.496 -1.684 . . . . 15.0 108.639 -177.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.7 m -101.02 112.0 24.34 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.8 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.2 p -91.65 112.95 25.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.7 m95 -99.88 -2.55 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.108 0.956 . . . . 15.0 108.58 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.91 134.75 54.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 105.899 -1.889 . . . . 15.0 105.899 162.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -60.2 126.56 84.35 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 15.0 112.919 -164.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HG2' HD22 ' A' ' 463' ' ' LEU . 72.7 Cg_endo -76.96 174.22 13.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.239 2.626 . . . . 15.0 111.382 174.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -112.42 -5.94 14.05 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.452 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.84 -24.82 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.708 ' H ' HD23 ' A' ' 463' ' ' LEU . 2.6 pt? -87.84 -2.77 58.82 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.807 -0.357 . . . . 15.0 111.234 -175.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.848 0 CA-C-O 117.926 -1.035 . . . . 15.0 109.584 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.742 0.306 . . . . 15.0 110.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.22 135.57 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.285 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 25.3 p -115.02 114.85 25.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.341 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 435' ' ' TRP . 3.1 mp0 -66.17 -55.59 15.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.61 0.719 . . . . 15.0 110.439 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.721 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 7.0 m95 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.784 -1.098 . . . . 15.0 109.063 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.8 m -89.51 135.22 33.72 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.051 -0.352 . . . . 15.0 110.051 -173.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.22 107.89 19.31 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.23 1.581 . . . . 15.0 108.007 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -134.12 90.02 2.63 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.853 -1.067 . . . . 15.0 108.152 -162.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 58.4 mttm -135.6 126.01 26.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 15.0 111.457 -168.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.0 p -139.52 150.55 45.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.79 -0.448 . . . . 15.0 109.79 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -3.68 1.26 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.33 0.586 . . . . 15.0 111.123 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.97 -5.9 34.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.53 -0.759 . . . . 15.0 110.541 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 56.18 1.86 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.782 -0.927 . . . . 15.0 110.782 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 13.9 ttmm -133.61 115.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 15.0 110.657 -173.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 39.0 m -127.61 90.34 3.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 171.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.7 tp -117.19 128.79 55.45 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.085 -173.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.494 ' N ' HD12 ' A' ' 446' ' ' LEU . 34.7 m-85 -108.35 89.78 3.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.186 166.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -89.84 115.62 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.177 -0.919 . . . . 15.0 111.195 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.727 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -130.7 150.21 51.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 15.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.755 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.9 p30 -89.84 4.76 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.619 -166.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.727 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 21.4 mtp180 -35.95 -75.78 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.102 0.876 . . . . 15.0 111.323 169.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.9 p -120.17 0.84 10.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.359 -1.291 . . . . 15.0 108.572 174.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.2 mt 75.26 45.76 0.13 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 113.819 -1.537 . . . . 15.0 108.238 -161.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 34.2 tt0 -89.76 119.12 29.88 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.166 -1.379 . . . . 15.0 108.433 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.66 14.57 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.351 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 15.3 p -94.58 117.46 30.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.055 -0.52 . . . . 15.0 110.568 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 53.5 m95 -99.37 4.17 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.848 1.309 . . . . 15.0 108.205 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 2.4 pt-20 -117.81 132.19 56.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.661 -2.063 . . . . 15.0 106.977 166.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HB3' ' HE2' ' A' ' 459' ' ' LYS . 35.0 mtpt -60.03 128.84 87.7 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 113.02 0.748 . . . . 15.0 113.02 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 56.5 Cg_endo -86.89 141.18 6.15 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.372 2.715 . . . . 15.0 111.214 175.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.19 -2.24 26.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.41 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.01 -10.4 39.33 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 15.0 111.695 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.85 9.69 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.76 -0.2 . . . . 15.0 111.181 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.152 -0.928 . . . . 15.0 110.626 -179.139 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.664 -0.124 . . . . 15.0 110.664 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.34 81.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.873 0.368 . . . . 15.0 110.349 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.0 m 62.69 94.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.551 -0.75 . . . . 15.0 110.931 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.35 -29.59 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.398 0.618 . . . . 15.0 110.39 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.798 ' HH2' HH11 ' A' ' 451' ' ' ARG . 9.2 m95 -89.95 142.8 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.436 -0.802 . . . . 15.0 108.988 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 87.5 m -89.44 131.56 35.43 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 109.535 -0.543 . . . . 15.0 109.535 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.13 106.81 18.68 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 125.081 1.488 . . . . 15.0 108.313 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.455 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -132.42 89.97 2.73 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.34 -1.754 . . . . 15.0 108.151 -162.417 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.79 ' HE3' HG23 ' A' ' 445' ' ' THR . 65.3 mttp -138.03 136.63 37.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.174 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 75.0 p -131.41 150.1 52.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.325 -0.62 . . . . 15.0 109.325 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.97 14.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.436 0.532 . . . . 15.0 112.436 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -82.46 5.27 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 15.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 69.54 1.22 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.466 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 19.8 ttmm -134.69 108.8 8.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.79 HG23 ' HE3' ' A' ' 439' ' ' LYS . 36.9 m -115.16 91.1 3.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.064 0.459 . . . . 15.0 110.026 176.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.903 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.1 tp -120.52 126.99 51.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.933 -0.576 . . . . 15.0 111.496 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.449 ' N ' HD12 ' A' ' 446' ' ' LEU . 8.7 m-85 -110.19 89.75 3.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.548 -0.751 . . . . 15.0 108.982 168.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -90.18 120.9 31.73 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.092 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.706 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.0 t30 -136.72 150.36 48.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 15.0 111.451 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.7 p-10 -86.04 -1.0 56.95 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.894 -167.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.798 HH11 ' HH2' ' A' ' 435' ' ' TRP . 13.9 mtp180 -39.0 -73.71 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.902 0.858 . . . . 15.0 111.917 170.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 1.2 p -120.18 0.74 10.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.453 -1.249 . . . . 15.0 109.278 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 70.4 48.51 0.47 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.598 -159.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 10.1 tt0 -89.59 116.68 27.92 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.827 -1.533 . . . . 15.0 108.639 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.518 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.9 m -102.23 100.29 10.48 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.285 -0.87 . . . . 15.0 109.744 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.71 100.18 12.94 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.27 -177.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.903 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 67.7 m95 -88.52 2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.172 0.987 . . . . 15.0 109.415 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -110.33 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.669 -1.605 . . . . 15.0 107.108 165.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -72.37 114.83 33.15 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 120.862 0.363 . . . . 15.0 111.976 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.658 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 88.8 Cg_endo -85.25 -25.33 1.74 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.19 2.593 . . . . 15.0 113.941 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 461' ' ' GLN . 59.9 tt0 63.15 15.69 8.74 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.095 0.474 . . . . 15.0 111.487 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.658 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 71.5 mm-40 -77.83 17.66 0.55 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -176.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 463' ' ' LEU . 6.8 mp -87.0 -3.27 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.154 0.502 . . . . 15.0 110.307 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.807 -0.812 . . . . 15.0 108.807 179.787 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.661 0.267 . . . . 15.0 110.737 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.9 m -122.39 150.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.726 0.298 . . . . 15.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m -135.41 110.41 8.82 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.38 -76.52 0.06 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.319 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.897 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 13.8 m95 -92.33 138.86 31.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.949 -1.13 . . . . 15.0 107.949 -171.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.3 m -89.2 129.57 35.76 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.934 -0.765 . . . . 15.0 108.934 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.23 92.35 9.14 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.475 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -109.2 89.99 3.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.833 -1.985 . . . . 15.0 107.738 -165.192 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -132.12 126.98 35.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.348 -167.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.664 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 19.9 p -127.81 150.43 49.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.01 -21.11 60.91 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.523 0.515 . . . . 15.0 112.108 -172.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -91.87 63.73 4.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.987 0.422 . . . . 15.0 110.479 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 54.14 70.03 1.06 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.733 -0.667 . . . . 15.0 114.678 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.664 ' HB3' ' H ' ' A' ' 440' ' ' THR . 4.7 ttmp? -138.88 108.7 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.291 0.546 . . . . 15.0 110.589 172.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 27.2 m -119.16 90.0 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 172.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.874 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.5 tp -125.85 133.17 52.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.187 -172.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 436' ' ' THR . 59.1 m-85 -117.28 89.99 3.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.952 0.406 . . . . 15.0 110.255 169.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -89.7 123.5 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.787 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.897 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 18.2 t30 -137.3 150.07 47.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.758 -0.201 . . . . 15.0 111.431 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.484 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.8 p30 -81.47 -9.49 59.7 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.05 0.452 . . . . 15.0 110.647 -171.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 20.3 mtt180 -41.5 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.247 -0.888 . . . . 15.0 112.671 167.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 0.3 OUTLIER -120.12 0.38 10.7 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.039 -177.717 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 57.03 39.85 29.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 -155.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.749 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 24.9 tt0 -89.83 122.6 33.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 112.98 -1.918 . . . . 15.0 107.909 -172.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.625 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 97.3 p -117.03 106.04 12.95 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.975 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 10.6 p -90.03 127.73 36.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.316 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.874 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.5 m95 -106.41 1.08 25.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.576 1.179 . . . . 15.0 108.794 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.57 134.74 53.94 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.029 -1.896 . . . . 15.0 107.414 163.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.62 124.07 88.37 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.709 -0.397 . . . . 15.0 111.835 -173.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.28 -168.58 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.395 2.73 . . . . 15.0 112.491 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -82.53 -27.25 31.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 15.0 110.199 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 463' ' ' LEU . 21.3 mp0 -84.99 118.37 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.831 -0.622 . . . . 15.0 109.922 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 462' ' ' GLU . 4.6 mm? 78.1 -21.1 0.35 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.813 0.845 . . . . 15.0 111.813 -176.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.28 -0.867 . . . . 15.0 111.744 173.7 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 120.827 0.346 . . . . 15.0 110.797 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.48 29.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 15.0 111.564 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.4 t -141.48 -169.27 2.84 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -88.87 -19.79 25.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.4 0.619 . . . . 15.0 110.257 -176.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.737 ' HH2' HH11 ' A' ' 451' ' ' ARG . 4.0 m95 -89.75 146.48 24.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.717 -172.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 61.0 m -89.78 123.66 33.97 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.281 -1.007 . . . . 15.0 108.281 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -89.11 104.98 17.49 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.224 -1.399 . . . . 15.0 107.224 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.5 90.07 3.25 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.419 -1.264 . . . . 15.0 108.03 -162.194 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 96.5 mttt -125.08 131.06 53.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.415 -170.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.567 HG22 ' HB3' ' A' ' 444' ' ' LYS . 2.0 t -150.2 150.29 31.39 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.04 -5.67 1.1 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.515 0.51 . . . . 15.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.26 -10.07 51.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.352 0.596 . . . . 15.0 110.502 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 48.05 3.69 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.544 -0.623 . . . . 15.0 111.544 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HB3' HG22 ' A' ' 440' ' ' THR . 4.8 ttmp? -119.26 120.45 37.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.591 -0.305 . . . . 15.0 110.513 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 80.5 m -125.27 89.99 3.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.187 -0.671 . . . . 15.0 109.187 173.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.894 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.6 tp -125.37 130.69 52.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.263 -171.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 436' ' ' THR . 14.4 m-85 -116.13 89.87 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.99 -0.55 . . . . 15.0 109.645 170.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.61 122.96 33.24 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.069 -0.514 . . . . 15.0 111.028 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.671 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.1 t30 -137.88 150.42 47.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.114 0.483 . . . . 15.0 111.638 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.768 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.9 p30 -86.94 0.86 54.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.223 -0.898 . . . . 15.0 110.581 -167.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.737 HH11 ' HH2' ' A' ' 435' ' ' TRP . 21.6 mtp180 -35.02 -74.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 O-C-N 124.233 0.958 . . . . 15.0 111.523 171.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 20.3 p -120.01 0.5 10.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.731 -1.122 . . . . 15.0 108.401 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.8 mt 77.83 43.06 0.1 Allowed 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 113.608 -1.633 . . . . 15.0 108.381 -160.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 31.5 tt0 -89.71 116.67 28.0 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 114.065 -1.425 . . . . 15.0 108.456 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 24.6 m -104.79 111.02 23.6 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.859 -178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.92 116.13 27.75 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.324 0.583 . . . . 15.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.894 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.1 m95 -98.33 10.48 40.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.681 1.229 . . . . 15.0 108.506 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.667 -2.06 . . . . 15.0 107.36 169.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 9.5 mtpm? -65.17 124.8 87.88 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -173.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.511 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 95.0 Cg_endo -94.11 -168.85 0.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.64 2.893 . . . . 15.0 112.426 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -129.82 9.25 5.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 111.591 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.511 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 7.3 mp0 -79.42 -1.59 37.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 15.0 111.023 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 463' ' ' LEU . 2.4 pt? -100.4 -1.76 35.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.557 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.004 -178.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.272 0.082 . . . . 15.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 464' ' ' LYS . 33.7 m -113.76 22.2 5.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.579 0.704 . . . . 15.0 110.165 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.9 m -92.52 143.1 26.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.964 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.74 -16.09 63.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.532 0.682 . . . . 15.0 110.07 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.846 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 9.3 m95 -89.74 138.5 31.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.194 -0.912 . . . . 15.0 108.839 -175.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.1 m -89.45 124.96 34.96 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.33 100.55 13.32 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 89.82 3.21 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.711 -1.586 . . . . 15.0 108.958 -161.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.9 mttp -124.74 123.92 41.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.534 -0.757 . . . . 15.0 110.431 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 442' ' ' ASP . 77.0 p -115.9 150.39 37.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.658 -0.497 . . . . 15.0 109.658 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 3.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 15.0 111.87 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.7 t70 -89.26 -2.13 58.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.674 . . . . 15.0 109.732 174.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 52.1 2.6 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.211 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.7 ttmt -114.69 119.32 36.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 57.1 m -120.06 92.57 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 15.0 109.983 174.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.3 tp -127.39 137.74 52.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.024 -172.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.5 m-85 -124.34 89.75 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.404 0.621 . . . . 15.0 110.083 172.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -89.71 120.74 31.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.466 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.707 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 23.3 t30 -131.03 150.25 52.23 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.99 0.424 . . . . 15.0 111.41 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.723 ' HA ' HD23 ' A' ' 453' ' ' LEU . 5.1 p-10 -89.07 8.3 30.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.848 -167.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.846 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 8.7 mtp180 -38.0 -75.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.936 0.773 . . . . 15.0 110.785 165.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 55.2 p -120.17 0.6 10.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.479 171.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 80.35 40.18 0.08 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.41 -1.268 . . . . 15.0 107.995 -162.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 39.4 tt0 -90.11 114.76 26.75 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.885 -1.507 . . . . 15.0 109.161 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.7 m -97.19 111.63 23.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.427 -0.806 . . . . 15.0 110.589 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 p -92.58 110.85 22.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.508 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 62.8 m95 -93.33 0.87 57.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.083 0.944 . . . . 15.0 109.278 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.47 135.78 54.61 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.957 -1.498 . . . . 15.0 106.957 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 49.8 mtpt -60.43 126.75 85.34 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 112.665 0.617 . . . . 15.0 112.665 -169.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.75 ' HD2' HD11 ' A' ' 463' ' ' LEU . 65.2 Cg_endo -90.28 7.35 3.82 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.325 2.683 . . . . 15.0 112.178 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 69.41 -3.07 1.69 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.7 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -94.07 75.32 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.75 HD11 ' HD2' ' A' ' 460' ' ' PRO . 6.8 mp -129.44 82.12 2.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.49 -0.777 . . . . 15.0 111.425 -177.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 432' ' ' VAL . 22.9 mtpp . . . . . 0 C--O 1.241 0.62 0 N-CA-C 109.011 -0.737 . . . . 15.0 109.011 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.759 0.314 . . . . 15.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.93 -30.77 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.6 -0.273 . . . . 15.0 110.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 52.6 m 64.83 100.18 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.755 -0.657 . . . . 15.0 109.934 -172.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -63.46 -65.82 0.63 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.231 -0.895 . . . . 15.0 111.426 -172.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 24.4 m95 -89.72 150.13 22.45 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.546 -0.539 . . . . 15.0 109.546 -172.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 50.6 m -89.45 133.57 34.49 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.63 ' HG2' HD21 ' A' ' 463' ' ' LEU . 3.8 mm-40 -88.99 105.14 17.59 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 124.946 1.404 . . . . 15.0 108.737 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.25 89.7 2.9 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 113.206 -1.815 . . . . 15.0 107.244 -163.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.714 ' HE3' HG23 ' A' ' 445' ' ' THR . 62.3 mttp -138.32 133.1 32.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.749 -169.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.862 HG23 ' HE2' ' A' ' 444' ' ' LYS . 40.1 p -126.97 150.25 49.48 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.97 -0.382 . . . . 15.0 109.97 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.09 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 15.0 110.742 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.67 1.05 13.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.977 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 69.97 1.22 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.341 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 440' ' ' THR . 38.6 ttpt -138.11 112.88 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.108 -0.33 . . . . 15.0 110.108 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.714 HG23 ' HE3' ' A' ' 439' ' ' LYS . 22.5 m -116.58 89.89 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 15.0 109.62 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -127.09 131.36 50.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.054 0.454 . . . . 15.0 112.001 -170.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 14.2 m-85 -114.19 89.74 3.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.334 171.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.455 ' CE1' HD22 ' A' ' 453' ' ' LEU . 37.8 t80 -89.92 121.03 31.65 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.77 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.833 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 52.6 t30 -138.14 150.19 46.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.486 -0.486 . . . . 15.0 111.909 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.971 ' HA ' HD23 ' A' ' 453' ' ' LEU . 25.0 p30 -88.14 3.66 48.38 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.182 -0.917 . . . . 15.0 110.696 -165.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.833 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 32.3 mtt180 -38.4 -73.41 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.691 -1.141 . . . . 15.0 111.342 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 45.2 p -120.11 0.42 10.71 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.925 -1.034 . . . . 15.0 108.787 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.2 mt 70.66 51.0 0.34 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 113.756 -1.566 . . . . 15.0 109.468 -162.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.35 116.91 32.6 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.517 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.618 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 99.3 p -92.55 110.21 21.63 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.846 -0.798 . . . . 15.0 108.846 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 132.79 36.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.501 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.8 m95 -117.55 2.1 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.002 0.906 . . . . 15.0 109.442 -177.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.87 125.32 48.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.128 -1.396 . . . . 15.0 108.181 167.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.561 ' NZ ' ' HB3' ' A' ' 459' ' ' LYS . 7.1 mtpm? -61.73 128.56 90.49 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -171.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 3.0 Cg_endo -85.62 -176.61 2.32 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.063 2.508 . . . . 15.0 110.127 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -78.71 -21.95 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 15.0 110.477 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.641 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 37.0 mt-10 -83.6 122.33 28.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.63 HD21 ' HG2' ' A' ' 437' ' ' GLU . 44.7 tp 73.08 122.9 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.183 0.927 . . . . 15.0 111.857 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.534 0.207 . . . . 15.0 110.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 432' ' ' VAL . 21.5 t 69.81 12.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.882 0.849 . . . . 15.0 110.529 176.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 7.9 t -162.3 38.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.921 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -60.06 -59.79 4.86 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 15.0 109.559 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.604 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.0 m95 -98.32 145.81 26.3 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.223 -1.399 . . . . 15.0 107.223 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 57.6 m -89.32 125.54 35.16 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.433 -0.951 . . . . 15.0 108.433 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 105.24 17.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 107.489 -1.3 . . . . 15.0 107.489 -171.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.442 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.88 89.96 2.96 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.496 -1.229 . . . . 15.0 108.478 -160.388 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.8 mtpm? -131.74 136.14 47.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.668 -170.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.1 p -143.84 150.47 38.54 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.529 -0.545 . . . . 15.0 109.529 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -8.58 2.14 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.538 0.685 . . . . 15.0 110.877 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.65 -14.32 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.048 -0.978 . . . . 15.0 111.162 170.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.39 8.85 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.16 -0.776 . . . . 15.0 111.16 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.8 ttmm -102.83 115.31 30.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.461 -0.37 . . . . 15.0 110.477 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 90.0 m -118.06 91.43 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.2 tp -126.33 133.47 51.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.672 -172.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.9 m-85 -124.95 92.24 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 15.0 110.04 170.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -89.87 124.75 34.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.712 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.9 t30 -137.39 150.62 47.81 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.663 ' HA ' HD23 ' A' ' 453' ' ' LEU . 34.0 p30 -86.78 2.89 47.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.793 -166.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.772 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 24.5 mtt180 -34.69 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.349 1.031 . . . . 15.0 111.368 171.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 29.1 p -120.1 0.64 10.76 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.267 -1.333 . . . . 15.0 108.342 173.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 77.84 45.59 0.07 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.811 -1.541 . . . . 15.0 107.898 -161.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 43.8 tt0 -89.65 111.05 21.89 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.678 -1.601 . . . . 15.0 108.737 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.0 m -101.84 113.67 27.06 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.84 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.463 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.7 OUTLIER -90.98 114.07 26.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.874 -179.212 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.5 m95 -101.26 -6.02 24.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.818 0.818 . . . . 15.0 109.499 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -105.79 125.67 51.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.184 -1.371 . . . . 15.0 107.367 163.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.25 118.6 38.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 15.0 111.879 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -79.71 -168.41 0.63 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.075 2.517 . . . . 15.0 111.786 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -103.95 -11.4 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 15.0 110.987 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.09 120.36 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.464 -0.569 . . . . 15.0 109.464 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.5 tt -171.21 108.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 15.0 111.166 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 464' ' ' LYS . 24.3 ttmm . . . . . 0 C--O 1.25 1.129 0 O-C-N 123.784 0.677 . . . . 15.0 112.111 167.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.0 m -101.88 -23.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.614 -0.266 . . . . 15.0 111.318 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 p 47.15 94.73 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 O-C-N 124.033 0.833 . . . . 15.0 112.174 -174.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 1.3 mp0 -61.81 -53.92 49.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.623 0.725 . . . . 15.0 110.501 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.433 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 4.2 m95 -89.84 142.25 27.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.888 -1.051 . . . . 15.0 109.092 -175.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 28.5 m -89.6 125.92 35.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.886 -0.783 . . . . 15.0 108.886 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.34 109.43 20.33 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.338 -1.356 . . . . 15.0 107.338 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.436 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.18 89.96 3.0 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.914 -1.039 . . . . 15.0 108.705 -160.649 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.4 mttt -123.6 114.93 20.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.034 -171.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.2 p -129.21 150.41 50.6 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.034 -0.416 . . . . 15.0 110.228 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.33 -3.55 4.26 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.267 0.556 . . . . 15.0 111.478 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -75.53 -0.01 18.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.509 -0.769 . . . . 15.0 110.407 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.92 1.75 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.123 -0.791 . . . . 15.0 111.123 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.5 ttmm -135.55 113.56 11.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 15.0 110.868 -175.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 32.2 m -123.7 89.97 3.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.391 -0.966 . . . . 15.0 108.391 170.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.883 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.1 tp -124.81 131.58 53.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.925 -166.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.589 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -120.32 91.89 3.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.509 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.59 127.66 35.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.231 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.758 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 48.1 t30 -141.77 150.57 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.76 -176.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.744 ' HA ' HD23 ' A' ' 453' ' ' LEU . 32.7 p30 -85.31 2.2 45.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.651 -166.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.758 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 33.4 mtp180 -28.97 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 124.716 1.26 . . . . 15.0 111.703 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 71.5 p -119.93 0.7 10.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 171.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 79.16 71.64 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 112.682 -2.054 . . . . 15.0 108.081 -156.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.47 126.23 49.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.348 -1.751 . . . . 15.0 108.499 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.603 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 46.3 p -115.79 118.25 32.51 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.284 0.564 . . . . 15.0 109.879 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 104.73 17.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.934 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.883 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.6 m95 -90.1 1.25 56.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.037 0.922 . . . . 15.0 109.441 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.64 123.69 49.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.9 -1.5 . . . . 15.0 107.361 160.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.8 121.11 55.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -167.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.71 -15.05 4.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.323 2.682 . . . . 15.0 113.238 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 67.76 3.7 3.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.483 0.713 . . . . 15.0 112.401 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.79 127.42 32.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.987 -0.375 . . . . 15.0 109.987 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.1 tp -173.81 117.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.061 0.225 . . . . 15.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.483 -0.77 . . . . 15.0 110.337 173.521 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.804 0.335 . . . . 15.0 110.813 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.03 22.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.7 m 62.73 88.61 0.09 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.258 -0.883 . . . . 15.0 109.247 -167.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -68.7 -80.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.374 -173.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.684 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 12.2 m95 -90.0 133.97 34.5 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.094 -1.076 . . . . 15.0 108.094 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.4 m -89.28 125.02 34.93 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 108.454 -0.943 . . . . 15.0 108.454 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.38 92.16 9.02 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 106.65 -1.611 . . . . 15.0 106.65 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.492 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -111.84 89.76 3.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 113.516 -1.675 . . . . 15.0 106.803 -163.124 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 29.2 mtpt -135.6 122.71 21.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.069 -0.969 . . . . 15.0 110.164 -164.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 442' ' ' ASP . 2.8 t -150.19 150.33 31.45 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.025 0.375 . . . . 15.0 110.238 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.42 -0.97 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.764 0.426 . . . . 15.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 440' ' ' THR . 20.6 t70 -68.25 -9.28 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.511 0.672 . . . . 15.0 110.094 171.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 63.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.633 -0.987 . . . . 15.0 110.633 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 14.3 ttmm -144.65 109.38 4.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.61 0.243 . . . . 15.0 110.593 -173.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 33.3 m -116.5 89.82 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.6 tp -126.75 131.3 51.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.741 -0.663 . . . . 15.0 111.284 -169.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.1 m-85 -122.1 89.97 3.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.362 0.601 . . . . 15.0 109.745 170.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -89.85 122.75 33.2 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.208 -0.906 . . . . 15.0 111.403 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.668 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -131.92 150.49 52.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.097 0.475 . . . . 15.0 111.288 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.4 p30 -84.65 1.3 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.501 -167.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.684 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 17.3 mtp180 -37.6 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.001 0.813 . . . . 15.0 111.551 170.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 13.1 p -117.86 0.67 11.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.615 -1.175 . . . . 15.0 108.574 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 76.71 42.44 0.15 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 113.714 -1.585 . . . . 15.0 108.231 -164.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 33.8 tt0 -89.72 114.71 26.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.457 -1.247 . . . . 15.0 108.921 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 24.8 m -99.43 112.38 24.58 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.756 -1.111 . . . . 15.0 109.922 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 2.9 p -93.13 119.08 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.176 0.512 . . . . 15.0 110.782 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -103.76 3.42 34.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.002 0.906 . . . . 15.0 109.033 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -113.61 125.38 54.1 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.863 -1.517 . . . . 15.0 107.275 163.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.07 121.35 58.27 Favored Pre-proline 0 C--N 1.327 -0.382 0 O-C-N 123.205 0.316 . . . . 15.0 111.65 -170.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.577 ' O ' ' HB2' ' A' ' 461' ' ' GLN . 72.4 Cg_endo -76.27 -93.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.888 2.392 . . . . 15.0 112.509 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 5.4 tp-100 164.27 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.488 0.315 . . . . 15.0 110.85 -175.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.444 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 7.6 mm-40 -70.58 6.62 1.35 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.473 ' CD1' ' H ' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -88.91 -9.93 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.983 -177.762 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.735 0 CA-C-O 118.139 -0.934 . . . . 15.0 110.032 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.444 ' HA ' ' OXT' ' A' ' 464' ' ' LYS . 7.4 p 41.69 85.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 124.331 1.019 . . . . 15.0 111.848 -176.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 t 69.91 106.31 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 114.953 -1.021 . . . . 15.0 110.408 -175.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.73 -16.01 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.47 0.652 . . . . 15.0 110.371 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.845 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 6.7 m95 -90.87 150.14 21.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.004 -175.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.2 m -89.65 127.59 35.94 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.688 -1.227 . . . . 15.0 107.688 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -88.96 103.78 16.36 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 107.154 -1.424 . . . . 15.0 107.154 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -122.36 96.65 5.13 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.653 -1.158 . . . . 15.0 108.271 -161.559 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 98.7 mttt -128.67 127.86 42.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.578 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 444' ' ' LYS . 19.8 p -136.94 150.44 48.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.57 -2.94 0.87 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.209 0.448 . . . . 15.0 112.209 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.97 0.18 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.335 0.588 . . . . 15.0 109.959 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.25 28.9 15.98 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.656 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.8 ttmt -91.45 113.45 25.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.626 0.251 . . . . 15.0 110.485 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -123.74 89.94 3.18 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -125.79 132.83 52.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.615 -0.721 . . . . 15.0 112.031 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.53 ' N ' HD12 ' A' ' 446' ' ' LEU . 85.5 m-85 -120.85 90.68 3.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.882 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.76 122.14 32.56 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.71 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.693 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 33.6 t30 -138.04 150.57 47.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.92 ' HA ' HD23 ' A' ' 453' ' ' LEU . 10.1 p30 -83.38 -2.49 55.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.492 -0.777 . . . . 15.0 110.756 -164.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.693 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.3 mtt180 -24.07 -73.41 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 125.048 1.467 . . . . 15.0 111.853 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -119.98 0.69 10.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.247 -1.39 . . . . 15.0 107.247 167.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.92 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 81.79 68.99 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 112.812 -1.995 . . . . 15.0 108.128 -159.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.414 ' HB2' HG22 ' A' ' 452' ' ' THR . 28.4 tt0 -119.23 108.48 14.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.655 -1.611 . . . . 15.0 108.656 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 20.3 m -95.28 113.55 25.23 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.127 -0.942 . . . . 15.0 109.519 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.17 127.79 41.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.328 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.9 m95 -109.2 -2.17 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.105 0.955 . . . . 15.0 109.299 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -117.05 128.89 55.61 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 113.997 -1.456 . . . . 15.0 107.471 162.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -59.91 119.5 41.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -167.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.33 -3.98 13.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.261 2.641 . . . . 15.0 113.025 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 66.71 7.34 5.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.997 0.519 . . . . 15.0 112.168 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.845 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.9 mm-40 -86.24 36.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.041 -0.412 . . . . 15.0 110.336 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.0 27.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 15.0 109.946 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 462' ' ' GLU . 5.7 ptpp? . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.504 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.733 0.301 . . . . 15.0 110.676 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.4 p -77.42 84.72 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 122.103 0.954 . . . . 15.0 110.856 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.7 m -108.91 121.09 44.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.611 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -59.91 -69.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.272 -0.422 . . . . 15.0 110.817 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.686 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 31.6 m95 -94.25 149.96 20.75 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.625 . . . . 15.0 109.311 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.5 m -89.63 127.66 35.94 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -89.16 95.69 10.41 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.002 -1.481 . . . . 15.0 107.002 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.26 89.83 3.14 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 113.411 -1.722 . . . . 15.0 107.498 -163.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.2 mtpm? -130.69 126.71 37.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.011 -169.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.5 p -134.09 150.63 51.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.9 -3.98 0.64 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.997 0.369 . . . . 15.0 111.997 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.23 -6.71 41.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 15.0 110.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 34.16 8.3 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.316 -0.714 . . . . 15.0 111.316 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 21.2 ttmm -96.67 122.15 39.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.579 0.228 . . . . 15.0 110.657 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 74.3 m -123.78 91.57 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.3 tp -129.75 134.26 47.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.063 -170.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.4 m-85 -117.83 89.71 3.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.43 0.633 . . . . 15.0 109.708 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -90.38 126.49 35.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.817 -1.083 . . . . 15.0 111.41 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.624 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 47.7 t30 -146.2 150.38 35.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.991 0.424 . . . . 15.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.814 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.8 p-10 -89.88 5.03 48.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.964 -0.562 . . . . 15.0 110.823 -162.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.624 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 37.6 mtt180 -31.98 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.517 1.136 . . . . 15.0 112.153 173.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 8.8 t -120.19 0.73 10.73 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.273 -1.38 . . . . 15.0 107.273 169.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 80.42 68.31 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.021 -1.899 . . . . 15.0 108.236 -158.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -109.61 113.67 26.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.884 -1.507 . . . . 15.0 108.694 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 18.7 m -109.76 111.31 22.68 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.901 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.1 p -91.82 119.53 31.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.632 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.6 m95 -100.81 4.92 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.406 1.098 . . . . 15.0 108.85 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -117.9 128.02 54.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.16 -1.837 . . . . 15.0 106.977 165.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -59.79 121.3 56.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.732 0.301 . . . . 15.0 111.237 -171.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -78.72 -170.26 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.039 2.493 . . . . 15.0 112.089 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -93.09 -12.86 29.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 15.0 111.165 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.686 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 32.3 mt-10 -97.59 96.6 8.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.179 0.514 . . . . 15.0 110.737 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 463' ' ' LEU . 3.6 mm? -124.66 124.52 42.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.596 -0.729 . . . . 15.0 109.713 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.68 -0.676 . . . . 15.0 110.088 -179.135 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.778 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 21.1 m95 . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.934 -0.395 . . . . 15.0 109.934 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 90.8 m -89.47 126.19 35.48 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -89.25 110.52 21.27 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.707 -1.22 . . . . 15.0 107.707 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -130.9 89.86 2.81 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.88 -161.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 99.1 mttt -131.74 134.23 45.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.412 -168.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.9 p -137.77 150.22 47.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.672 . . . . 15.0 109.187 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.49 -4.23 2.66 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.961 0.41 . . . . 15.0 111.726 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.43 -2.71 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.473 0.654 . . . . 15.0 110.298 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 60.04 1.44 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.715 -0.675 . . . . 15.0 111.546 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 23.4 ttmm -128.39 112.8 14.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.053 -0.351 . . . . 15.0 110.053 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 78.4 m -121.38 89.96 3.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.891 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -123.54 129.52 51.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.293 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 60.2 m-85 -120.72 94.45 4.36 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.574 169.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -89.56 121.42 31.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.297 -0.865 . . . . 15.0 110.688 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.3 t30 -138.7 150.58 46.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.649 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.602 ' HA ' HD23 ' A' ' 453' ' ' LEU . 27.0 p30 -85.72 4.46 36.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.497 -163.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.778 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 10.9 mtp180 -31.62 -76.11 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.57 1.169 . . . . 15.0 111.772 170.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -120.09 0.59 10.75 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.859 -1.163 . . . . 15.0 107.859 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.7 mt 83.98 49.13 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 113.284 -1.78 . . . . 15.0 107.433 -158.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.637 ' HB2' HG22 ' A' ' 452' ' ' THR . 53.7 tt0 -89.83 110.65 21.57 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 113.763 -1.562 . . . . 15.0 108.937 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 63.0 m -93.21 111.03 22.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.845 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.9 OUTLIER -95.62 109.29 21.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.319 0.581 . . . . 15.0 110.926 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.891 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 57.4 m95 -99.39 -1.56 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.48 1.133 . . . . 15.0 108.478 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -108.7 130.01 55.35 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.287 -1.779 . . . . 15.0 107.027 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -59.94 118.66 34.38 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 15.0 111.539 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo . . . . . 0 N--CA 1.462 -0.365 0 C-N-CA 122.901 2.401 . . . . 15.0 111.728 177.444 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.684 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 12.0 m95 . . . . . 0 C--O 1.234 0.28 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 96.4 m -89.59 130.87 35.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.874 -0.787 . . . . 15.0 108.874 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -89.05 111.24 21.93 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 124.902 1.376 . . . . 15.0 107.728 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.72 89.89 2.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.499 -1.228 . . . . 15.0 108.109 -162.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 85.7 mttt -136.91 135.39 37.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.838 -169.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -148.3 150.53 33.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.041 -0.726 . . . . 15.0 109.041 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -10.35 3.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.849 0.357 . . . . 15.0 111.902 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -11.24 5.39 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.678 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 32.69 9.46 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.774 -0.93 . . . . 15.0 110.774 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.0 ttmp? -99.64 110.26 22.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.962 -0.619 . . . . 15.0 109.95 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 83.3 m -116.24 91.1 3.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.0 tp -122.71 122.46 38.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 15.0 111.966 -171.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.434 ' N ' HD12 ' A' ' 446' ' ' LEU . 20.6 m-85 -108.36 90.24 3.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.12 168.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -89.69 118.02 28.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.901 0.382 . . . . 15.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.684 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 29.7 t30 -139.32 150.39 45.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.247 0.546 . . . . 15.0 110.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.9 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.1 p30 -92.29 6.3 47.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.985 -163.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 34.1 mtp180 -27.44 -77.24 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.732 1.27 . . . . 15.0 111.427 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 6.9 t -120.09 0.76 10.79 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.75 -1.574 . . . . 15.0 106.75 169.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.9 HD23 ' HA ' ' A' ' 450' ' ' ASN . 1.8 mt 83.62 75.2 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.647 -2.07 . . . . 15.0 108.757 -159.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -114.68 111.44 21.31 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.835 -1.53 . . . . 15.0 108.993 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.0 m -102.16 106.32 17.16 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.681 -0.691 . . . . 15.0 109.698 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.4 ' HB ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -90.3 106.72 18.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.034 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.1 m95 -94.42 -3.03 50.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.422 1.106 . . . . 15.0 109.102 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.38 133.87 52.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.325 -1.761 . . . . 15.0 106.531 163.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.46 118.37 56.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 112.274 0.472 . . . . 15.0 112.274 -167.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HD3' ' HB ' ' A' ' 456' ' ' THR . 73.0 Cg_endo . . . . . 0 C--N 1.347 0.47 0 C-N-CA 123.114 2.542 . . . . 15.0 112.417 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 41.6 m95 . . . . . 0 N--CA 1.447 -0.606 0 N-CA-C 109.034 -0.728 . . . . 15.0 109.034 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.7 m -89.41 132.24 35.09 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.815 -0.809 . . . . 15.0 108.815 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -89.05 95.96 10.53 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.389 -1.338 . . . . 15.0 107.389 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.75 89.68 3.17 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.678 -1.601 . . . . 15.0 107.68 -163.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 94.3 mttt -137.8 134.8 35.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.393 -168.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 55.7 p -139.04 150.81 46.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -5.73 1.3 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.424 0.63 . . . . 15.0 111.113 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -9.42 42.98 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.037 -0.983 . . . . 15.0 110.588 170.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 32.53 9.74 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.601 -0.599 . . . . 15.0 111.601 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.9 ttmp? -96.1 113.65 25.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.491 -0.355 . . . . 15.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 87.3 m -114.86 91.59 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.708 -0.479 . . . . 15.0 109.708 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.2 tp -127.44 125.77 41.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.486 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 47.5 m-85 -110.98 89.85 3.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.418 -0.81 . . . . 15.0 109.037 169.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -89.87 118.55 29.54 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.968 -0.56 . . . . 15.0 111.597 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.739 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -133.46 150.4 51.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 15.0 110.268 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.675 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -88.01 5.45 40.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.347 -166.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.739 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 42.6 mtt180 -28.59 -77.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.727 1.267 . . . . 15.0 111.831 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 69.9 p -120.08 0.67 10.77 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.01 -1.45 . . . . 15.0 107.172 171.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.7 mt 79.88 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.839 -1.982 . . . . 15.0 107.632 -154.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.43 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 33.7 tt0 -110.32 103.18 11.81 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.492 -1.686 . . . . 15.0 108.715 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.5 m -100.23 109.44 21.68 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.08 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.431 ' CB ' ' HG3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -94.1 113.95 26.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.467 -178.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -97.54 6.23 48.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.275 1.036 . . . . 15.0 110.033 -178.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.06 136.05 54.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.413 -1.721 . . . . 15.0 106.584 165.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mtmm -59.85 115.99 15.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 117.928 0.331 . . . . 15.0 111.517 -171.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 2.9 Cg_exo . . . . . 0 C--N 1.351 0.698 0 C-N-CA 123.112 2.541 . . . . 15.0 112.427 -176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.781 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 26.1 m95 . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 109.813 -0.44 . . . . 15.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 71.3 m -89.22 125.27 35.01 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.654 -1.239 . . . . 15.0 107.654 176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.32 104.05 16.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.577 -1.268 . . . . 15.0 107.577 -171.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -122.46 89.96 3.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.178 -1.374 . . . . 15.0 109.061 -161.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 43.1 mttm -131.28 140.72 49.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.609 -1.178 . . . . 15.0 110.293 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 444' ' ' LYS . 0.5 OUTLIER -150.05 149.08 29.82 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 176.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.91 -6.27 7.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.126 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.57 -0.32 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.088 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.77 -0.65 . . . . 15.0 112.64 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.658 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 ttmt -148.67 122.33 9.22 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.851 -0.205 . . . . 15.0 110.805 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 94.0 m -128.63 96.25 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 15.0 109.897 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.4 tp -127.52 136.51 51.83 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.732 -0.667 . . . . 15.0 111.0 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.657 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 97.4 m-85 -120.72 90.04 3.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.609 169.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -89.95 121.39 32.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.466 -0.788 . . . . 15.0 111.353 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 30.3 t30 -136.78 150.44 48.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.117 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.764 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.2 p-10 -87.45 7.6 28.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.158 -166.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.781 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 14.8 mtp180 -28.7 -75.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.575 1.172 . . . . 15.0 111.731 165.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 82.7 p -120.23 0.8 10.72 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 169.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 81.06 48.02 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 113.246 -1.797 . . . . 15.0 107.51 -157.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -89.9 121.5 32.07 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 113.686 -1.597 . . . . 15.0 108.786 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.5 m -109.37 104.2 13.27 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.343 -0.844 . . . . 15.0 109.889 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m -92.06 121.69 33.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.072 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 69.9 m95 -106.74 -3.54 20.38 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.626 0.727 . . . . 15.0 110.33 -176.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.31 131.77 52.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.828 -1.545 . . . . 15.0 106.828 164.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -61.01 119.45 45.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 15.0 112.083 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 N--CA 1.461 -0.419 0 C-N-CA 123.051 2.501 . . . . 15.0 112.235 179.078 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 8.2 m95 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.132 -0.692 . . . . 15.0 109.132 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 39.3 m -89.7 129.33 36.14 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -89.25 100.57 13.32 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 107.573 -1.269 . . . . 15.0 107.573 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.55 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -118.93 90.02 3.25 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.338 -1.755 . . . . 15.0 107.227 -163.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -136.32 132.91 36.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.045 -0.979 . . . . 15.0 110.645 -165.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.9 p -135.13 150.23 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.125 -0.324 . . . . 15.0 110.125 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.24 -6.05 1.91 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 15.0 111.405 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.05 -6.7 49.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.505 -0.77 . . . . 15.0 110.085 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 63.68 1.25 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.652 -0.579 . . . . 15.0 111.652 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.4 ttmp? -130.23 113.05 13.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.45 . . . . 15.0 110.073 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 94.6 m -116.2 89.78 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 174.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -124.9 126.63 45.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.097 0.475 . . . . 15.0 111.839 -172.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 455' ' ' SER . 8.1 m-85 -111.73 92.27 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.681 168.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.8 116.12 27.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 15.0 110.682 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.701 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 36.7 t30 -134.63 150.51 50.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.599 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.798 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.1 p30 -88.08 -0.2 56.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.079 -163.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.701 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 51.6 mtp180 -24.16 -80.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.872 1.358 . . . . 15.0 112.001 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 7.5 t -117.62 0.76 12.14 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.687 -1.598 . . . . 15.0 106.687 167.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mt 84.77 74.93 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 112.646 -2.07 . . . . 15.0 108.384 -159.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -116.52 112.43 21.36 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 113.729 -1.578 . . . . 15.0 108.839 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 70.4 m -102.03 105.07 15.77 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.288 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 7.2 p -91.14 116.8 29.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.522 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 60.4 m95 -99.54 5.58 46.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.397 1.094 . . . . 15.0 108.588 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.43 124.1 46.84 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.211 -1.813 . . . . 15.0 107.123 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.7 119.27 49.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.662 0.615 . . . . 15.0 112.662 -168.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo . . . . . 0 C--N 1.347 0.463 0 C-N-CA 123.539 2.826 . . . . 15.0 112.632 177.693 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 4.8 m95 . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.055 -0.72 . . . . 15.0 109.055 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 30.0 m -89.01 120.96 30.9 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.979 -1.489 . . . . 15.0 106.979 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.44 102.32 15.0 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.422 -1.325 . . . . 15.0 107.422 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.693 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.82 91.31 3.53 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 113.715 -1.584 . . . . 15.0 108.326 -159.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.1 mttm -120.45 118.54 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.75 -1.113 . . . . 15.0 111.001 -168.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.571 ' OG1' ' HE2' ' A' ' 444' ' ' LYS . 30.9 p -134.23 150.51 51.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.664 -0.495 . . . . 15.0 109.664 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.98 -7.43 1.75 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.51 -7.83 22.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.675 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.62 8.09 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.636 -0.985 . . . . 15.0 110.636 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.571 ' HE2' ' OG1' ' A' ' 440' ' ' THR . 14.4 ttmm -97.42 112.41 24.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.578 . . . . 15.0 111.086 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 0.7 OUTLIER -114.29 89.6 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.778 169.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.858 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.0 tp -119.89 127.25 52.54 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.952 0.406 . . . . 15.0 110.959 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 38.3 m-85 -116.64 89.88 3.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.352 169.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -92.01 122.06 34.17 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.122 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.749 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -139.67 150.43 44.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.147 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.887 ' HA ' HD23 ' A' ' 453' ' ' LEU . 26.7 p-10 -90.65 6.99 41.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.498 -166.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.749 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.5 mtt180 -34.76 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.154 0.908 . . . . 15.0 110.73 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 23.6 p -120.13 0.68 10.75 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.242 -1.345 . . . . 15.0 109.064 173.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 73.76 51.22 0.12 Allowed 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 113.873 -1.512 . . . . 15.0 108.433 -159.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.1 108.23 19.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.846 -1.525 . . . . 15.0 108.89 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 m -97.01 101.63 13.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.057 -0.72 . . . . 15.0 109.057 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 458' ' ' GLU . 7.2 m -97.25 123.87 41.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.296 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.858 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 65.4 m95 -106.36 -0.17 24.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.706 0.765 . . . . 15.0 110.57 -172.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 456' ' ' THR . 45.2 mt-10 -113.52 127.57 56.13 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 165.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -59.87 119.29 39.82 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 112.889 0.7 . . . . 15.0 112.889 -163.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo . . . . . 0 N--CA 1.46 -0.487 0 C-N-CA 123.244 2.629 . . . . 15.0 111.889 177.544 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.765 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 6.7 m95 . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 108.996 -0.742 . . . . 15.0 108.996 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 86.0 m -89.63 129.79 36.02 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.487 -0.931 . . . . 15.0 108.487 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.436 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 2.1 mm-40 -89.18 108.09 19.41 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.974 1.421 . . . . 15.0 108.386 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.77 89.83 2.49 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 -162.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 54.5 mttp -136.61 114.32 11.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.949 -170.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 442' ' ' ASP . 40.8 p -119.07 150.42 40.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.651 -0.5 . . . . 15.0 109.651 174.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.75 15.31 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.454 0.539 . . . . 15.0 112.454 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 440' ' ' THR . 36.1 t70 -97.23 8.88 43.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.698 . . . . 15.0 109.331 176.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.4 34.89 7.72 Favored Glycine 0 N--CA 1.453 -0.211 0 CA-C-N 115.664 -0.698 . . . . 15.0 112.469 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.2 ttmt -107.1 106.88 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.582 0.23 . . . . 15.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.488 HG23 ' HE3' ' A' ' 439' ' ' LYS . 39.5 m -117.31 89.95 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.05 -0.722 . . . . 15.0 109.05 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.85 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.7 tp -123.44 126.96 47.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 15.0 111.827 -170.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.521 ' N ' HD12 ' A' ' 446' ' ' LEU . 14.2 m-85 -113.46 90.17 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.343 170.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -89.63 121.29 31.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.169 -0.468 . . . . 15.0 111.278 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.4 t30 -133.14 150.52 52.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 15.0 111.603 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.749 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.0 p30 -89.6 3.38 52.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.079 -0.964 . . . . 15.0 110.621 -167.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.765 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 5.0 mtp180 -36.11 -72.98 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.002 0.814 . . . . 15.0 111.613 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.8 p -119.78 0.52 10.91 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 80.97 40.91 0.06 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 113.706 -1.588 . . . . 15.0 107.739 -159.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 73.5 tt0 -89.74 117.85 28.91 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 113.551 -1.658 . . . . 15.0 108.968 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 65.5 m -108.88 114.91 29.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.513 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 20.7 p -91.82 119.14 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.741 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.85 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.6 m95 -99.62 2.67 44.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.11 0.957 . . . . 15.0 109.436 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -110.4 132.2 54.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.092 -1.413 . . . . 15.0 107.203 162.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -66.96 117.67 47.82 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.338 0.496 . . . . 15.0 112.338 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo . . . . . 0 C--N 1.345 0.348 0 C-N-CA 123.662 2.908 . . . . 15.0 112.731 -179.445 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.9 m95 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.014 -0.736 . . . . 15.0 109.014 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.0 m -89.47 129.32 35.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -89.29 94.12 9.79 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.185 -1.413 . . . . 15.0 107.185 -175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -115.38 89.68 3.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.81 -1.552 . . . . 15.0 106.81 -163.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 87.5 mttt -138.0 119.28 14.65 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.503 -163.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 442' ' ' ASP . 32.7 p -140.77 150.79 43.82 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.24 1.11 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.004 0.431 . . . . 15.0 112.067 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 440' ' ' THR . 0.6 OUTLIER -66.82 -10.33 46.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.471 0.708 . . . . 15.0 110.463 170.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.38 11.03 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.672 -0.971 . . . . 15.0 110.672 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.3 ttmp? -100.49 107.22 18.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.087 -0.556 . . . . 15.0 111.022 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 52.2 m -112.64 89.95 3.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.9 tp -128.84 125.92 38.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.764 -0.653 . . . . 15.0 111.604 -167.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.4 m-85 -113.62 90.15 3.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.459 170.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -90.45 119.63 30.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.984 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.691 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 38.8 t30 -135.23 150.2 50.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 15.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.734 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.2 p-10 -85.4 -0.85 56.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.685 -165.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.664 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 18.6 mtp180 -32.64 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.247 0.967 . . . . 15.0 111.849 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.0 p -119.96 0.58 10.82 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.516 -1.22 . . . . 15.0 108.495 174.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mt 74.5 47.42 0.13 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 113.702 -1.59 . . . . 15.0 108.136 -161.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 29.0 tt0 -89.59 113.8 25.29 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.037 -1.438 . . . . 15.0 109.308 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.467 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 57.2 m -97.35 108.69 21.46 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.46 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.7 116.9 29.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.1 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 71.4 m95 -103.39 3.34 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.174 0.987 . . . . 15.0 110.156 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -111.14 150.1 29.94 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.781 -1.554 . . . . 15.0 106.915 163.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -76.87 116.45 57.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.584 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.344 0.338 0 C-N-CA 123.378 2.719 . . . . 15.0 112.06 179.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.751 -0.463 . . . . 15.0 109.751 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 23.7 m -89.73 128.75 36.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 176.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.33 92.45 9.16 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.424 -1.325 . . . . 15.0 107.424 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.49 89.93 3.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.539 -1.664 . . . . 15.0 108.957 -162.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 445' ' ' THR . 19.3 mtmm -143.61 138.25 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.413 -171.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.572 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 36.5 p -130.4 150.37 51.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.63 -6.94 6.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -87.5 12.92 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.386 0.613 . . . . 15.0 110.245 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 69.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.011 -0.614 . . . . 15.0 112.925 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HB3' ' H ' ' A' ' 440' ' ' THR . 23.5 ttmm -144.6 127.4 16.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.538 HG23 ' HD2' ' A' ' 439' ' ' LYS . 93.6 m -136.92 93.86 2.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.408 0.623 . . . . 15.0 109.827 172.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.4 tp -126.12 129.4 49.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.949 . . . . 15.0 110.733 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.3 m-85 -117.99 91.81 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.383 0.611 . . . . 15.0 109.459 169.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 446' ' ' LEU . 59.4 t80 -89.84 124.74 34.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.824 -1.08 . . . . 15.0 111.51 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.775 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.4 t30 -138.26 150.65 46.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.501 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -87.28 5.05 40.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 15.0 110.349 -167.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.775 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 36.7 mtt180 -31.51 -77.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.666 1.228 . . . . 15.0 111.689 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -120.07 0.98 10.84 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.451 -1.314 . . . . 15.0 107.451 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 86.55 51.85 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.031 -1.895 . . . . 15.0 107.694 -158.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.413 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 43.4 tt0 -89.88 101.94 14.65 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.496 -1.684 . . . . 15.0 108.639 -177.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.7 m -101.02 112.0 24.34 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.8 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.2 p -91.65 112.95 25.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.7 m95 -99.88 -2.55 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.108 0.956 . . . . 15.0 108.58 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.91 134.75 54.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 105.899 -1.889 . . . . 15.0 105.899 162.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -60.2 126.56 84.35 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 15.0 112.919 -164.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo . . . . . 0 C--N 1.343 0.245 0 C-N-CA 123.239 2.626 . . . . 15.0 111.382 174.72 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.721 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 7.0 m95 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 109.063 -0.717 . . . . 15.0 109.063 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.8 m -89.51 135.22 33.72 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.051 -0.352 . . . . 15.0 110.051 -173.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.22 107.89 19.31 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.23 1.581 . . . . 15.0 108.007 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -134.12 90.02 2.63 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.853 -1.067 . . . . 15.0 108.152 -162.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 58.4 mttm -135.6 126.01 26.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 15.0 111.457 -168.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.0 p -139.52 150.55 45.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.79 -0.448 . . . . 15.0 109.79 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -3.68 1.26 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.33 0.586 . . . . 15.0 111.123 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.97 -5.9 34.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.53 -0.759 . . . . 15.0 110.541 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 56.18 1.86 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.782 -0.927 . . . . 15.0 110.782 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 13.9 ttmm -133.61 115.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 15.0 110.657 -173.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 39.0 m -127.61 90.34 3.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 171.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.7 tp -117.19 128.79 55.45 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.085 -173.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.494 ' N ' HD12 ' A' ' 446' ' ' LEU . 34.7 m-85 -108.35 89.78 3.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.186 166.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -89.84 115.62 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.177 -0.919 . . . . 15.0 111.195 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.727 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -130.7 150.21 51.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 15.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.755 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.9 p30 -89.84 4.76 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.619 -166.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.727 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 21.4 mtp180 -35.95 -75.78 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.102 0.876 . . . . 15.0 111.323 169.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.9 p -120.17 0.84 10.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.359 -1.291 . . . . 15.0 108.572 174.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.2 mt 75.26 45.76 0.13 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 113.819 -1.537 . . . . 15.0 108.238 -161.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 34.2 tt0 -89.76 119.12 29.88 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.166 -1.379 . . . . 15.0 108.433 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.66 14.57 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.351 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 15.3 p -94.58 117.46 30.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.055 -0.52 . . . . 15.0 110.568 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 53.5 m95 -99.37 4.17 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.848 1.309 . . . . 15.0 108.205 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 2.4 pt-20 -117.81 132.19 56.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.661 -2.063 . . . . 15.0 106.977 166.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 35.0 mtpt -60.03 128.84 87.7 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 113.02 0.748 . . . . 15.0 113.02 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 56.5 Cg_endo . . . . . 0 N--CA 1.45 -1.032 0 C-N-CA 123.372 2.715 . . . . 15.0 111.214 175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.798 ' HH2' HH11 ' A' ' 451' ' ' ARG . 9.2 m95 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 108.988 -0.745 . . . . 15.0 108.988 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 87.5 m -89.44 131.56 35.43 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 109.535 -0.543 . . . . 15.0 109.535 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.13 106.81 18.68 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 125.081 1.488 . . . . 15.0 108.313 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.455 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -132.42 89.97 2.73 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.34 -1.754 . . . . 15.0 108.151 -162.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.79 ' HE3' HG23 ' A' ' 445' ' ' THR . 65.3 mttp -138.03 136.63 37.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.174 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 75.0 p -131.41 150.1 52.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.325 -0.62 . . . . 15.0 109.325 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.97 14.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.436 0.532 . . . . 15.0 112.436 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -82.46 5.27 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 15.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 69.54 1.22 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.466 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 19.8 ttmm -134.69 108.8 8.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.79 HG23 ' HE3' ' A' ' 439' ' ' LYS . 36.9 m -115.16 91.1 3.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.064 0.459 . . . . 15.0 110.026 176.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.903 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.1 tp -120.52 126.99 51.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.933 -0.576 . . . . 15.0 111.496 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.449 ' N ' HD12 ' A' ' 446' ' ' LEU . 8.7 m-85 -110.19 89.75 3.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.548 -0.751 . . . . 15.0 108.982 168.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -90.18 120.9 31.73 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.092 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.706 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.0 t30 -136.72 150.36 48.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 15.0 111.451 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.7 p-10 -86.04 -1.0 56.95 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.894 -167.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.798 HH11 ' HH2' ' A' ' 435' ' ' TRP . 13.9 mtp180 -39.0 -73.71 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.902 0.858 . . . . 15.0 111.917 170.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 1.2 p -120.18 0.74 10.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.453 -1.249 . . . . 15.0 109.278 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 70.4 48.51 0.47 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.598 -159.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 10.1 tt0 -89.59 116.68 27.92 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.827 -1.533 . . . . 15.0 108.639 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.518 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.9 m -102.23 100.29 10.48 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.285 -0.87 . . . . 15.0 109.744 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.71 100.18 12.94 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.27 -177.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.903 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 67.7 m95 -88.52 2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.172 0.987 . . . . 15.0 109.415 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -110.33 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.669 -1.605 . . . . 15.0 107.108 165.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -72.37 114.83 33.15 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 120.862 0.363 . . . . 15.0 111.976 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo . . . . . 0 CA--C 1.534 0.517 0 C-N-CA 123.19 2.593 . . . . 15.0 113.941 -176.818 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.897 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 13.8 m95 . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 107.949 -1.13 . . . . 15.0 107.949 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.3 m -89.2 129.57 35.76 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.934 -0.765 . . . . 15.0 108.934 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.23 92.35 9.14 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.475 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -109.2 89.99 3.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.833 -1.985 . . . . 15.0 107.738 -165.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -132.12 126.98 35.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.348 -167.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.664 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 19.9 p -127.81 150.43 49.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.01 -21.11 60.91 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.523 0.515 . . . . 15.0 112.108 -172.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -91.87 63.73 4.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.987 0.422 . . . . 15.0 110.479 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 54.14 70.03 1.06 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.733 -0.667 . . . . 15.0 114.678 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.664 ' HB3' ' H ' ' A' ' 440' ' ' THR . 4.7 ttmp? -138.88 108.7 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.291 0.546 . . . . 15.0 110.589 172.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 27.2 m -119.16 90.0 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 172.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.874 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.5 tp -125.85 133.17 52.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.187 -172.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 436' ' ' THR . 59.1 m-85 -117.28 89.99 3.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.952 0.406 . . . . 15.0 110.255 169.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -89.7 123.5 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.787 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.897 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 18.2 t30 -137.3 150.07 47.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.758 -0.201 . . . . 15.0 111.431 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.484 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.8 p30 -81.47 -9.49 59.7 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.05 0.452 . . . . 15.0 110.647 -171.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 20.3 mtt180 -41.5 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.247 -0.888 . . . . 15.0 112.671 167.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 0.3 OUTLIER -120.12 0.38 10.7 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.039 -177.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 57.03 39.85 29.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 -155.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.749 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 24.9 tt0 -89.83 122.6 33.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 112.98 -1.918 . . . . 15.0 107.909 -172.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.625 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 97.3 p -117.03 106.04 12.95 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.975 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 10.6 p -90.03 127.73 36.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.316 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.874 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.5 m95 -106.41 1.08 25.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.576 1.179 . . . . 15.0 108.794 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.57 134.74 53.94 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.029 -1.896 . . . . 15.0 107.414 163.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.62 124.07 88.37 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.709 -0.397 . . . . 15.0 111.835 -173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo . . . . . 0 C--N 1.345 0.378 0 C-N-CA 123.395 2.73 . . . . 15.0 112.491 -179.424 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.737 ' HH2' HH11 ' A' ' 451' ' ' ARG . 4.0 m95 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 109.717 -0.475 . . . . 15.0 109.717 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 61.0 m -89.78 123.66 33.97 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.281 -1.007 . . . . 15.0 108.281 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -89.11 104.98 17.49 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.224 -1.399 . . . . 15.0 107.224 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.5 90.07 3.25 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.419 -1.264 . . . . 15.0 108.03 -162.194 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 96.5 mttt -125.08 131.06 53.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.415 -170.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.567 HG22 ' HB3' ' A' ' 444' ' ' LYS . 2.0 t -150.2 150.29 31.39 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.04 -5.67 1.1 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.515 0.51 . . . . 15.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.26 -10.07 51.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.352 0.596 . . . . 15.0 110.502 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 48.05 3.69 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.544 -0.623 . . . . 15.0 111.544 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HB3' HG22 ' A' ' 440' ' ' THR . 4.8 ttmp? -119.26 120.45 37.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.591 -0.305 . . . . 15.0 110.513 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 80.5 m -125.27 89.99 3.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.187 -0.671 . . . . 15.0 109.187 173.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.894 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.6 tp -125.37 130.69 52.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.263 -171.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 436' ' ' THR . 14.4 m-85 -116.13 89.87 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.99 -0.55 . . . . 15.0 109.645 170.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.61 122.96 33.24 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.069 -0.514 . . . . 15.0 111.028 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.671 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.1 t30 -137.88 150.42 47.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.114 0.483 . . . . 15.0 111.638 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.768 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.9 p30 -86.94 0.86 54.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.223 -0.898 . . . . 15.0 110.581 -167.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.737 HH11 ' HH2' ' A' ' 435' ' ' TRP . 21.6 mtp180 -35.02 -74.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 O-C-N 124.233 0.958 . . . . 15.0 111.523 171.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 20.3 p -120.01 0.5 10.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.731 -1.122 . . . . 15.0 108.401 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.8 mt 77.83 43.06 0.1 Allowed 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 113.608 -1.633 . . . . 15.0 108.381 -160.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 31.5 tt0 -89.71 116.67 28.0 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 114.065 -1.425 . . . . 15.0 108.456 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 24.6 m -104.79 111.02 23.6 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.859 -178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.92 116.13 27.75 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.324 0.583 . . . . 15.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.894 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.1 m95 -98.33 10.48 40.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.681 1.229 . . . . 15.0 108.506 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.667 -2.06 . . . . 15.0 107.36 169.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 9.5 mtpm? -65.17 124.8 87.88 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -173.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 95.0 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 C-N-CA 123.64 2.893 . . . . 15.0 112.426 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.846 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 9.3 m95 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 108.839 -0.8 . . . . 15.0 108.839 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.1 m -89.45 124.96 34.96 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.33 100.55 13.32 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 89.82 3.21 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.711 -1.586 . . . . 15.0 108.958 -161.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.9 mttp -124.74 123.92 41.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.534 -0.757 . . . . 15.0 110.431 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 442' ' ' ASP . 77.0 p -115.9 150.39 37.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.658 -0.497 . . . . 15.0 109.658 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 3.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 15.0 111.87 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.7 t70 -89.26 -2.13 58.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.674 . . . . 15.0 109.732 174.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 52.1 2.6 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.211 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.7 ttmt -114.69 119.32 36.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 57.1 m -120.06 92.57 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 15.0 109.983 174.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.3 tp -127.39 137.74 52.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.024 -172.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.5 m-85 -124.34 89.75 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.404 0.621 . . . . 15.0 110.083 172.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -89.71 120.74 31.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.466 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.707 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 23.3 t30 -131.03 150.25 52.23 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.99 0.424 . . . . 15.0 111.41 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.723 ' HA ' HD23 ' A' ' 453' ' ' LEU . 5.1 p-10 -89.07 8.3 30.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.848 -167.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.846 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 8.7 mtp180 -38.0 -75.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.936 0.773 . . . . 15.0 110.785 165.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 55.2 p -120.17 0.6 10.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.479 171.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 80.35 40.18 0.08 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.41 -1.268 . . . . 15.0 107.995 -162.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 39.4 tt0 -90.11 114.76 26.75 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.885 -1.507 . . . . 15.0 109.161 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.7 m -97.19 111.63 23.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.427 -0.806 . . . . 15.0 110.589 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 p -92.58 110.85 22.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.508 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 62.8 m95 -93.33 0.87 57.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.083 0.944 . . . . 15.0 109.278 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.47 135.78 54.61 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.957 -1.498 . . . . 15.0 106.957 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 49.8 mtpt -60.43 126.75 85.34 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 112.665 0.617 . . . . 15.0 112.665 -169.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 65.2 Cg_endo . . . . . 0 N--CA 1.457 -0.661 0 C-N-CA 123.325 2.683 . . . . 15.0 112.178 -178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 24.4 m95 . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.546 -0.539 . . . . 15.0 109.546 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 50.6 m -89.45 133.57 34.49 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 3.8 mm-40 -88.99 105.14 17.59 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 124.946 1.404 . . . . 15.0 108.737 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.25 89.7 2.9 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 113.206 -1.815 . . . . 15.0 107.244 -163.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.714 ' HE3' HG23 ' A' ' 445' ' ' THR . 62.3 mttp -138.32 133.1 32.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.749 -169.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.862 HG23 ' HE2' ' A' ' 444' ' ' LYS . 40.1 p -126.97 150.25 49.48 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.97 -0.382 . . . . 15.0 109.97 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.09 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 15.0 110.742 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.67 1.05 13.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.977 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 69.97 1.22 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.341 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 440' ' ' THR . 38.6 ttpt -138.11 112.88 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.108 -0.33 . . . . 15.0 110.108 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.714 HG23 ' HE3' ' A' ' 439' ' ' LYS . 22.5 m -116.58 89.89 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 15.0 109.62 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -127.09 131.36 50.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.054 0.454 . . . . 15.0 112.001 -170.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 14.2 m-85 -114.19 89.74 3.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.334 171.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.455 ' CE1' HD22 ' A' ' 453' ' ' LEU . 37.8 t80 -89.92 121.03 31.65 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.77 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.833 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 52.6 t30 -138.14 150.19 46.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.486 -0.486 . . . . 15.0 111.909 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.971 ' HA ' HD23 ' A' ' 453' ' ' LEU . 25.0 p30 -88.14 3.66 48.38 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.182 -0.917 . . . . 15.0 110.696 -165.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.833 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 32.3 mtt180 -38.4 -73.41 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.691 -1.141 . . . . 15.0 111.342 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 45.2 p -120.11 0.42 10.71 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.925 -1.034 . . . . 15.0 108.787 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.2 mt 70.66 51.0 0.34 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 113.756 -1.566 . . . . 15.0 109.468 -162.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.35 116.91 32.6 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.517 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.618 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 99.3 p -92.55 110.21 21.63 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.846 -0.798 . . . . 15.0 108.846 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 132.79 36.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.501 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.8 m95 -117.55 2.1 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.002 0.906 . . . . 15.0 109.442 -177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.87 125.32 48.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.128 -1.396 . . . . 15.0 108.181 167.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.561 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 7.1 mtpm? -61.73 128.56 90.49 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -171.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 3.0 Cg_endo . . . . . 0 N--CA 1.454 -0.801 0 C-N-CA 123.063 2.508 . . . . 15.0 110.127 169.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.604 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.0 m95 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 107.223 -1.399 . . . . 15.0 107.223 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 57.6 m -89.32 125.54 35.16 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.433 -0.951 . . . . 15.0 108.433 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 105.24 17.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 107.489 -1.3 . . . . 15.0 107.489 -171.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.442 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.88 89.96 2.96 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.496 -1.229 . . . . 15.0 108.478 -160.388 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.8 mtpm? -131.74 136.14 47.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.668 -170.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.1 p -143.84 150.47 38.54 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.529 -0.545 . . . . 15.0 109.529 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -8.58 2.14 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.538 0.685 . . . . 15.0 110.877 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.65 -14.32 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.048 -0.978 . . . . 15.0 111.162 170.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.39 8.85 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.16 -0.776 . . . . 15.0 111.16 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.8 ttmm -102.83 115.31 30.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.461 -0.37 . . . . 15.0 110.477 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 90.0 m -118.06 91.43 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.2 tp -126.33 133.47 51.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.672 -172.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.9 m-85 -124.95 92.24 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 15.0 110.04 170.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -89.87 124.75 34.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.712 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.9 t30 -137.39 150.62 47.81 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.663 ' HA ' HD23 ' A' ' 453' ' ' LEU . 34.0 p30 -86.78 2.89 47.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.793 -166.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.772 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 24.5 mtt180 -34.69 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.349 1.031 . . . . 15.0 111.368 171.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 29.1 p -120.1 0.64 10.76 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.267 -1.333 . . . . 15.0 108.342 173.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 77.84 45.59 0.07 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.811 -1.541 . . . . 15.0 107.898 -161.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 43.8 tt0 -89.65 111.05 21.89 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.678 -1.601 . . . . 15.0 108.737 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.0 m -101.84 113.67 27.06 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.84 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.463 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.7 OUTLIER -90.98 114.07 26.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.874 -179.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.5 m95 -101.26 -6.02 24.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.818 0.818 . . . . 15.0 109.499 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -105.79 125.67 51.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.184 -1.371 . . . . 15.0 107.367 163.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.25 118.6 38.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 15.0 111.879 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo . . . . . 0 N--CA 1.461 -0.388 0 C-N-CA 123.075 2.517 . . . . 15.0 111.786 178.792 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.433 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 4.2 m95 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.092 -0.707 . . . . 15.0 109.092 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 28.5 m -89.6 125.92 35.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.886 -0.783 . . . . 15.0 108.886 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.34 109.43 20.33 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.338 -1.356 . . . . 15.0 107.338 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.436 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.18 89.96 3.0 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.914 -1.039 . . . . 15.0 108.705 -160.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.4 mttt -123.6 114.93 20.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.034 -171.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.2 p -129.21 150.41 50.6 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.034 -0.416 . . . . 15.0 110.228 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.33 -3.55 4.26 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.267 0.556 . . . . 15.0 111.478 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -75.53 -0.01 18.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.509 -0.769 . . . . 15.0 110.407 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.92 1.75 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.123 -0.791 . . . . 15.0 111.123 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.5 ttmm -135.55 113.56 11.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 15.0 110.868 -175.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 32.2 m -123.7 89.97 3.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.391 -0.966 . . . . 15.0 108.391 170.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.883 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.1 tp -124.81 131.58 53.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.925 -166.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.589 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -120.32 91.89 3.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.509 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.59 127.66 35.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.231 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.758 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 48.1 t30 -141.77 150.57 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.76 -176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.744 ' HA ' HD23 ' A' ' 453' ' ' LEU . 32.7 p30 -85.31 2.2 45.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.651 -166.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.758 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 33.4 mtp180 -28.97 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 124.716 1.26 . . . . 15.0 111.703 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 71.5 p -119.93 0.7 10.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 171.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 79.16 71.64 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 112.682 -2.054 . . . . 15.0 108.081 -156.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.47 126.23 49.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.348 -1.751 . . . . 15.0 108.499 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.603 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 46.3 p -115.79 118.25 32.51 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.284 0.564 . . . . 15.0 109.879 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 104.73 17.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.934 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.883 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.6 m95 -90.1 1.25 56.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.037 0.922 . . . . 15.0 109.441 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.64 123.69 49.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.9 -1.5 . . . . 15.0 107.361 160.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.8 121.11 55.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -167.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo . . . . . 0 C--N 1.346 0.43 0 C-N-CA 123.323 2.682 . . . . 15.0 113.238 -179.216 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.684 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 12.2 m95 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 108.094 -1.076 . . . . 15.0 108.094 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.4 m -89.28 125.02 34.93 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 108.454 -0.943 . . . . 15.0 108.454 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.38 92.16 9.02 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 106.65 -1.611 . . . . 15.0 106.65 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.492 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -111.84 89.76 3.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 113.516 -1.675 . . . . 15.0 106.803 -163.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 29.2 mtpt -135.6 122.71 21.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.069 -0.969 . . . . 15.0 110.164 -164.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 442' ' ' ASP . 2.8 t -150.19 150.33 31.45 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.025 0.375 . . . . 15.0 110.238 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.42 -0.97 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.764 0.426 . . . . 15.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 440' ' ' THR . 20.6 t70 -68.25 -9.28 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.511 0.672 . . . . 15.0 110.094 171.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 63.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.633 -0.987 . . . . 15.0 110.633 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 14.3 ttmm -144.65 109.38 4.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.61 0.243 . . . . 15.0 110.593 -173.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 33.3 m -116.5 89.82 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.6 tp -126.75 131.3 51.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.741 -0.663 . . . . 15.0 111.284 -169.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.1 m-85 -122.1 89.97 3.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.362 0.601 . . . . 15.0 109.745 170.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -89.85 122.75 33.2 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.208 -0.906 . . . . 15.0 111.403 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.668 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -131.92 150.49 52.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.097 0.475 . . . . 15.0 111.288 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.4 p30 -84.65 1.3 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.501 -167.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.684 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 17.3 mtp180 -37.6 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.001 0.813 . . . . 15.0 111.551 170.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 13.1 p -117.86 0.67 11.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.615 -1.175 . . . . 15.0 108.574 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 76.71 42.44 0.15 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 113.714 -1.585 . . . . 15.0 108.231 -164.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 33.8 tt0 -89.72 114.71 26.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.457 -1.247 . . . . 15.0 108.921 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 24.8 m -99.43 112.38 24.58 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.756 -1.111 . . . . 15.0 109.922 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 2.9 p -93.13 119.08 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.176 0.512 . . . . 15.0 110.782 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -103.76 3.42 34.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.002 0.906 . . . . 15.0 109.033 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -113.61 125.38 54.1 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.863 -1.517 . . . . 15.0 107.275 163.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.07 121.35 58.27 Favored Pre-proline 0 C--N 1.327 -0.382 0 O-C-N 123.205 0.316 . . . . 15.0 111.65 -170.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 CA--C 1.537 0.647 0 C-N-CA 122.888 2.392 . . . . 15.0 112.509 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.663 ' CE3' ' HB3' ' A' ' 449' ' ' ASN . 6.7 m95 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.004 -0.739 . . . . 15.0 109.004 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.2 m -89.65 127.59 35.94 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.688 -1.227 . . . . 15.0 107.688 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -88.96 103.78 16.36 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 107.154 -1.424 . . . . 15.0 107.154 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -122.36 96.65 5.13 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.653 -1.158 . . . . 15.0 108.271 -161.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 98.7 mttt -128.67 127.86 42.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.578 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 444' ' ' LYS . 19.8 p -136.94 150.44 48.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.57 -2.94 0.87 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.209 0.448 . . . . 15.0 112.209 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.97 0.18 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.335 0.588 . . . . 15.0 109.959 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.25 28.9 15.98 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.656 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.8 ttmt -91.45 113.45 25.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.626 0.251 . . . . 15.0 110.485 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -123.74 89.94 3.18 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -125.79 132.83 52.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.615 -0.721 . . . . 15.0 112.031 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.53 ' N ' HD12 ' A' ' 446' ' ' LEU . 85.5 m-85 -120.85 90.68 3.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.882 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.76 122.14 32.56 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.71 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.693 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 33.6 t30 -138.04 150.57 47.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.92 ' HA ' HD23 ' A' ' 453' ' ' LEU . 10.1 p30 -83.38 -2.49 55.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.492 -0.777 . . . . 15.0 110.756 -164.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.693 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.3 mtt180 -24.07 -73.41 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 125.048 1.467 . . . . 15.0 111.853 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -119.98 0.69 10.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.247 -1.39 . . . . 15.0 107.247 167.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.92 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 81.79 68.99 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 112.812 -1.995 . . . . 15.0 108.128 -159.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.414 ' HB2' HG22 ' A' ' 452' ' ' THR . 28.4 tt0 -119.23 108.48 14.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.655 -1.611 . . . . 15.0 108.656 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 20.3 m -95.28 113.55 25.23 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.127 -0.942 . . . . 15.0 109.519 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.17 127.79 41.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.328 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.9 m95 -109.2 -2.17 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.105 0.955 . . . . 15.0 109.299 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -117.05 128.89 55.61 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 113.997 -1.456 . . . . 15.0 107.471 162.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -59.91 119.5 41.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -167.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo . . . . . 0 C--N 1.347 0.481 0 C-N-CA 123.261 2.641 . . . . 15.0 113.025 -179.051 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.606 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 31.6 m95 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.311 -0.625 . . . . 15.0 109.311 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.5 m -89.63 127.66 35.94 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -89.16 95.69 10.41 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.002 -1.481 . . . . 15.0 107.002 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.26 89.83 3.14 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 113.411 -1.722 . . . . 15.0 107.498 -163.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.2 mtpm? -130.69 126.71 37.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.011 -169.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.5 p -134.09 150.63 51.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.9 -3.98 0.64 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.997 0.369 . . . . 15.0 111.997 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.23 -6.71 41.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 15.0 110.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 34.16 8.3 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.316 -0.714 . . . . 15.0 111.316 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 21.2 ttmm -96.67 122.15 39.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.579 0.228 . . . . 15.0 110.657 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 74.3 m -123.78 91.57 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.3 tp -129.75 134.26 47.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.063 -170.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.4 m-85 -117.83 89.71 3.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.43 0.633 . . . . 15.0 109.708 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -90.38 126.49 35.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.817 -1.083 . . . . 15.0 111.41 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.624 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 47.7 t30 -146.2 150.38 35.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.991 0.424 . . . . 15.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.814 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.8 p-10 -89.88 5.03 48.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.964 -0.562 . . . . 15.0 110.823 -162.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.624 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 37.6 mtt180 -31.98 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.517 1.136 . . . . 15.0 112.153 173.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 8.8 t -120.19 0.73 10.73 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.273 -1.38 . . . . 15.0 107.273 169.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 80.42 68.31 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.021 -1.899 . . . . 15.0 108.236 -158.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -109.61 113.67 26.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.884 -1.507 . . . . 15.0 108.694 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 18.7 m -109.76 111.31 22.68 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.901 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.1 p -91.82 119.53 31.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.632 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.6 m95 -100.81 4.92 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.406 1.098 . . . . 15.0 108.85 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -117.9 128.02 54.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.16 -1.837 . . . . 15.0 106.977 165.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -59.79 121.3 56.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.732 0.301 . . . . 15.0 111.237 -171.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo . . . . . 0 C--N 1.344 0.316 0 C-N-CA 123.039 2.493 . . . . 15.0 112.089 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.654 0.264 . . . . 15.0 110.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.469 ' HB ' HD13 ' A' ' 463' ' ' LEU . 8.1 p -101.29 161.44 3.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.629 -0.508 . . . . 15.0 109.629 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.0 t -85.44 -25.36 26.99 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.886 0.374 . . . . 15.0 111.048 -177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.79 -72.03 0.29 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.447 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.778 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 21.1 m95 -90.13 145.99 24.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.192 -0.458 . . . . 15.0 109.934 -169.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.561 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 90.8 m -89.47 126.19 35.48 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.916 -1.142 . . . . 15.0 107.916 174.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -89.25 110.52 21.27 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 107.707 -1.22 . . . . 15.0 107.707 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.503 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -130.9 89.86 2.81 Favored 'General case' 0 N--CA 1.431 -1.384 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.88 -161.324 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 99.1 mttt -131.74 134.23 45.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.664 -0.698 . . . . 15.0 111.412 -168.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 74.9 p -137.77 150.22 47.06 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.672 . . . . 15.0 109.187 173.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.49 -4.23 2.66 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.961 0.41 . . . . 15.0 111.726 178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -75.43 -2.71 29.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.473 0.654 . . . . 15.0 110.298 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 60.04 1.44 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.715 -0.675 . . . . 15.0 111.546 -177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.576 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 23.4 ttmm -128.39 112.8 14.8 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.053 -0.351 . . . . 15.0 110.053 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 78.4 m -121.38 89.96 3.22 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 174.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.891 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -123.54 129.52 51.31 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.716 -0.675 . . . . 15.0 111.293 -173.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.733 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 60.2 m-85 -120.72 94.45 4.36 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.44 -0.8 . . . . 15.0 109.574 169.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -89.56 121.42 31.75 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.297 -0.865 . . . . 15.0 110.688 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.615 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.3 t30 -138.7 150.58 46.34 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.978 -0.555 . . . . 15.0 110.649 -177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.602 ' HA ' HD23 ' A' ' 453' ' ' LEU . 27.0 p30 -85.72 4.46 36.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.486 -0.779 . . . . 15.0 110.497 -163.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.778 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 10.9 mtp180 -31.62 -76.11 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 O-C-N 124.57 1.169 . . . . 15.0 111.772 170.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.637 HG22 ' HB2' ' A' ' 454' ' ' GLU . 10.2 t -120.09 0.59 10.75 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.859 -1.163 . . . . 15.0 107.859 168.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.7 mt 83.98 49.13 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.555 0 CA-C-N 113.284 -1.78 . . . . 15.0 107.433 -158.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.637 ' HB2' HG22 ' A' ' 452' ' ' THR . 53.7 tt0 -89.83 110.65 21.57 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 113.763 -1.562 . . . . 15.0 108.937 -175.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.509 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 63.0 m -93.21 111.03 22.56 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.484 -0.78 . . . . 15.0 109.845 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.58 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.9 OUTLIER -95.62 109.29 21.57 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.319 0.581 . . . . 15.0 110.926 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.891 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 57.4 m95 -99.39 -1.56 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 122.48 1.133 . . . . 15.0 108.478 177.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -108.7 130.01 55.35 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 113.287 -1.779 . . . . 15.0 107.027 166.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.0 mtmt -59.94 118.66 34.38 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 120.749 0.309 . . . . 15.0 111.539 -174.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.22 160.48 32.79 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.901 2.401 . . . . 15.0 111.728 177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -72.82 -9.64 58.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.343 0.592 . . . . 15.0 110.585 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -86.82 -4.42 59.17 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.916 -0.584 . . . . 15.0 111.404 -177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.469 HD13 ' HB ' ' A' ' 432' ' ' VAL . 39.2 tp -150.75 127.41 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.839 0.352 . . . . 15.0 110.804 179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 41.1 tptt . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.584 -0.722 . . . . 15.0 111.011 -176.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.374 -0.232 . . . . 15.0 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.5 m -113.26 8.42 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 15.0 110.93 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.1 m -154.13 100.7 2.34 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.542 -0.54 . . . . 15.0 109.542 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.84 -15.63 20.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 15.0 110.798 -173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.684 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 12.0 m95 -89.92 141.83 28.27 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.286 -0.635 . . . . 15.0 109.286 -174.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 96.4 m -89.59 130.87 35.83 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 108.874 -0.787 . . . . 15.0 108.874 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -89.05 111.24 21.93 Favored 'General case' 0 CA--C 1.499 -0.994 0 O-C-N 124.902 1.376 . . . . 15.0 107.728 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.516 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.72 89.89 2.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 114.499 -1.228 . . . . 15.0 108.109 -162.546 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 85.7 mttt -136.91 135.39 37.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.449 -0.796 . . . . 15.0 110.838 -169.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.2 p -148.3 150.53 33.79 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 109.041 -0.726 . . . . 15.0 109.041 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.83 -10.35 3.81 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.849 0.357 . . . . 15.0 111.902 -176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -11.24 5.39 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.757 -0.656 . . . . 15.0 111.678 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.15 32.69 9.46 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.774 -0.93 . . . . 15.0 110.774 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.0 ttmp? -99.64 110.26 22.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.962 -0.619 . . . . 15.0 109.95 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 83.3 m -116.24 91.1 3.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.613 -0.514 . . . . 15.0 109.613 175.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.0 tp -122.71 122.46 38.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 15.0 111.966 -171.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.434 ' N ' HD12 ' A' ' 446' ' ' LEU . 20.6 m-85 -108.36 90.24 3.24 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.123 -0.944 . . . . 15.0 109.12 168.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -89.69 118.02 28.99 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 120.901 0.382 . . . . 15.0 111.203 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.684 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 29.7 t30 -139.32 150.39 45.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.247 0.546 . . . . 15.0 110.472 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.9 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.1 p30 -92.29 6.3 47.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.442 -0.799 . . . . 15.0 110.985 -163.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.628 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 34.1 mtp180 -27.44 -77.24 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 O-C-N 124.732 1.27 . . . . 15.0 111.427 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 6.9 t -120.09 0.76 10.79 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.75 -1.574 . . . . 15.0 106.75 169.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.9 HD23 ' HA ' ' A' ' 450' ' ' ASN . 1.8 mt 83.62 75.2 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.647 -2.07 . . . . 15.0 108.757 -159.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -114.68 111.44 21.31 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 113.835 -1.53 . . . . 15.0 108.993 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.0 m -102.16 106.32 17.16 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.681 -0.691 . . . . 15.0 109.698 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.4 ' HB ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -90.3 106.72 18.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.773 -0.649 . . . . 15.0 111.034 -178.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.1 m95 -94.42 -3.03 50.89 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 122.422 1.106 . . . . 15.0 109.102 178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.38 133.87 52.53 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.325 -1.761 . . . . 15.0 106.531 163.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -67.46 118.37 56.17 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 112.274 0.472 . . . . 15.0 112.274 -167.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.4 ' HD3' ' HB ' ' A' ' 456' ' ' THR . 73.0 Cg_endo -76.63 149.57 30.4 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.114 2.542 . . . . 15.0 112.417 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.565 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 0.1 OUTLIER -91.43 9.84 30.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.241 -177.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.42 -43.26 71.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.232 0.539 . . . . 15.0 110.579 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.57 28.62 6.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.698 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.565 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 18.9 tptp . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.403 -0.808 . . . . 15.0 111.777 -175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.9 0.381 . . . . 15.0 110.272 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t -102.3 -50.83 9.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.134 0.492 . . . . 15.0 110.151 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 29.0 m -124.95 102.7 7.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.114 -0.494 . . . . 15.0 110.777 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.5 -59.05 2.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.548 0.689 . . . . 15.0 110.602 177.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.657 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 41.6 m95 -89.88 146.77 24.18 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.034 -174.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 77.7 m -89.41 132.24 35.09 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 108.815 -0.809 . . . . 15.0 108.815 -177.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -89.05 95.96 10.53 Favored 'General case' 0 CA--C 1.5 -0.973 0 N-CA-C 107.389 -1.338 . . . . 15.0 107.389 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.75 89.68 3.17 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 113.678 -1.601 . . . . 15.0 107.68 -163.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.58 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 94.3 mttt -137.8 134.8 35.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.393 -168.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 55.7 p -139.04 150.81 46.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.621 -0.511 . . . . 15.0 109.621 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -5.73 1.3 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.424 0.63 . . . . 15.0 111.113 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.63 -9.42 42.98 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.037 -0.983 . . . . 15.0 110.588 170.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.03 32.53 9.74 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.601 -0.599 . . . . 15.0 111.601 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.9 ttmp? -96.1 113.65 25.27 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.491 -0.355 . . . . 15.0 110.36 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 87.3 m -114.86 91.59 3.67 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.708 -0.479 . . . . 15.0 109.708 174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.2 tp -127.44 125.77 41.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.897 -0.592 . . . . 15.0 111.486 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.45 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 47.5 m-85 -110.98 89.85 3.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.418 -0.81 . . . . 15.0 109.037 169.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -89.87 118.55 29.54 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 115.968 -0.56 . . . . 15.0 111.597 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.739 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -133.46 150.4 51.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.035 0.445 . . . . 15.0 110.268 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.675 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -88.01 5.45 40.79 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.411 -0.813 . . . . 15.0 110.347 -166.511 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.739 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 42.6 mtt180 -28.59 -77.18 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.727 1.267 . . . . 15.0 111.831 171.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 69.9 p -120.08 0.67 10.77 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.01 -1.45 . . . . 15.0 107.172 171.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.7 mt 79.88 68.2 0.03 OUTLIER 'General case' 0 CA--C 1.507 -0.678 0 CA-C-N 112.839 -1.982 . . . . 15.0 107.632 -154.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.43 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 33.7 tt0 -110.32 103.18 11.81 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 113.492 -1.686 . . . . 15.0 108.715 -174.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.5 m -100.23 109.44 21.68 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.08 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.431 ' CB ' ' HG3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -94.1 113.95 26.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.178 -0.465 . . . . 15.0 110.467 -178.098 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -97.54 6.23 48.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 122.275 1.036 . . . . 15.0 110.033 -178.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -120.06 136.05 54.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.413 -1.721 . . . . 15.0 106.584 165.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 31.1 mtmm -59.85 115.99 15.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 117.928 0.331 . . . . 15.0 111.517 -171.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 2.9 Cg_exo -72.49 145.29 42.13 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 123.112 2.541 . . . . 15.0 112.427 -176.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.568 ' H ' ' NE2' ' A' ' 461' ' ' GLN . 1.0 OUTLIER -83.03 10.75 7.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.961 -0.563 . . . . 15.0 110.93 178.455 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.86 -7.22 59.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.149 0.499 . . . . 15.0 110.141 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 56.8 tp -113.24 128.03 56.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.177 -177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.637 -0.696 . . . . 15.0 110.159 177.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 110.315 -0.254 . . . . 15.0 110.315 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 11.2 p -104.18 -28.49 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.94 0.4 . . . . 15.0 110.519 178.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 5.7 m -73.19 152.76 40.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.139 -0.482 . . . . 15.0 110.127 179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.27 -34.4 73.69 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.475 0.655 . . . . 15.0 110.51 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.781 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 26.1 m95 -89.91 150.21 22.28 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.204 -0.907 . . . . 15.0 109.813 -174.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 71.3 m -89.22 125.27 35.01 Favored 'General case' 0 N--CA 1.438 -1.048 0 N-CA-C 107.654 -1.239 . . . . 15.0 107.654 176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.32 104.05 16.63 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.577 -1.268 . . . . 15.0 107.577 -171.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.523 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -122.46 89.96 3.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.178 -1.374 . . . . 15.0 109.061 -161.198 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 43.1 mttm -131.28 140.72 49.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.609 -1.178 . . . . 15.0 110.293 -173.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.506 HG22 ' HB3' ' A' ' 444' ' ' LYS . 0.5 OUTLIER -150.05 149.08 29.82 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 109.277 -0.638 . . . . 15.0 109.277 176.577 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.91 -6.27 7.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.052 -0.522 . . . . 15.0 111.126 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.57 -0.32 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.809 -0.632 . . . . 15.0 110.088 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.24 69.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.32 0 CA-C-N 115.77 -0.65 . . . . 15.0 112.64 178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.658 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.0 ttmt -148.67 122.33 9.22 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 122.851 -0.205 . . . . 15.0 110.805 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 94.0 m -128.63 96.25 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 15.0 109.897 175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.4 tp -127.52 136.51 51.83 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.732 -0.667 . . . . 15.0 111.0 -173.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.657 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 97.4 m-85 -120.72 90.04 3.25 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.599 -0.728 . . . . 15.0 109.609 169.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -89.95 121.39 32.01 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.466 -0.788 . . . . 15.0 111.353 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.674 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 30.3 t30 -136.78 150.44 48.37 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.97 -0.559 . . . . 15.0 110.117 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.764 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.2 p-10 -87.45 7.6 28.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.41 -0.359 . . . . 15.0 110.158 -166.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.781 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 14.8 mtp180 -28.7 -75.43 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 O-C-N 124.575 1.172 . . . . 15.0 111.731 165.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 82.7 p -120.23 0.8 10.72 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 108.106 -1.072 . . . . 15.0 108.106 169.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 81.06 48.02 0.02 OUTLIER 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 113.246 -1.797 . . . . 15.0 107.51 -157.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -89.9 121.5 32.07 Favored 'General case' 0 N--CA 1.436 -1.14 0 CA-C-N 113.686 -1.597 . . . . 15.0 108.786 -174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 33.5 m -109.37 104.2 13.27 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.343 -0.844 . . . . 15.0 109.889 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 1.2 m -92.06 121.69 33.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.072 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 69.9 m95 -106.74 -3.54 20.38 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.626 0.727 . . . . 15.0 110.33 -176.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.31 131.77 52.34 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.828 -1.545 . . . . 15.0 106.828 164.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -61.01 119.45 45.24 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 15.0 112.083 -169.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -81.13 -173.35 1.8 Allowed 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 123.051 2.501 . . . . 15.0 112.235 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -111.34 -7.99 14.36 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 15.0 111.259 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.722 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 1.8 mp0 -89.93 89.54 7.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.5 -0.318 . . . . 15.0 111.187 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -127.73 -14.46 5.12 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.905 0.335 . . . . 15.0 111.905 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.712 -0.661 . . . . 15.0 110.764 -176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.756 -0.461 . . . . 15.0 109.756 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.88 -28.57 34.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-O 121.143 0.497 . . . . 15.0 109.917 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 34.8 p -148.1 112.9 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.635 . . . . 15.0 109.6 171.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.49 -53.15 46.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.723 0.773 . . . . 15.0 109.752 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.627 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 8.2 m95 -90.03 139.32 30.73 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.809 -1.087 . . . . 15.0 109.132 -174.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 39.3 m -89.7 129.33 36.14 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 108.654 -0.869 . . . . 15.0 108.654 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -89.25 100.57 13.32 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 107.573 -1.269 . . . . 15.0 107.573 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.55 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -118.93 90.02 3.25 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 113.338 -1.755 . . . . 15.0 107.227 -163.711 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -136.32 132.91 36.3 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.045 -0.979 . . . . 15.0 110.645 -165.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 47.9 p -135.13 150.23 50.15 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 110.125 -0.324 . . . . 15.0 110.125 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.24 -6.05 1.91 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 15.0 111.405 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -74.05 -6.7 49.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.505 -0.77 . . . . 15.0 110.085 175.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.12 63.68 1.25 Allowed Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.652 -0.579 . . . . 15.0 111.652 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.63 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.4 ttmp? -130.23 113.05 13.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.3 -0.45 . . . . 15.0 110.073 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.476 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 94.6 m -116.2 89.78 3.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.586 -0.524 . . . . 15.0 109.586 174.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -124.9 126.63 45.84 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.097 0.475 . . . . 15.0 111.839 -172.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.548 ' O ' ' HA ' ' A' ' 455' ' ' SER . 8.1 m-85 -111.73 92.27 3.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.521 -0.763 . . . . 15.0 109.681 168.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -89.8 116.12 27.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.21 0.529 . . . . 15.0 110.682 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.701 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 36.7 t30 -134.63 150.51 50.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.578 -0.737 . . . . 15.0 110.599 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.798 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.1 p30 -88.08 -0.2 56.76 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.76 -0.654 . . . . 15.0 111.079 -163.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.701 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 51.6 mtp180 -24.16 -80.28 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 124.872 1.358 . . . . 15.0 112.001 175.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 7.5 t -117.62 0.76 12.14 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 106.687 -1.598 . . . . 15.0 106.687 167.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.798 HD23 ' HA ' ' A' ' 450' ' ' ASN . 4.3 mt 84.77 74.93 0.02 OUTLIER 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 112.646 -2.07 . . . . 15.0 108.384 -159.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -116.52 112.43 21.36 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 113.729 -1.578 . . . . 15.0 108.839 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.548 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 70.4 m -102.03 105.07 15.77 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.585 -0.734 . . . . 15.0 110.288 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.424 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 7.2 p -91.14 116.8 29.1 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.098 -0.501 . . . . 15.0 110.522 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 60.4 m95 -99.54 5.58 46.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 122.397 1.094 . . . . 15.0 108.588 -177.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -118.43 124.1 46.84 Favored 'General case' 0 N--CA 1.44 -0.944 0 CA-C-N 113.211 -1.813 . . . . 15.0 107.123 169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -62.7 119.27 49.49 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 112.662 0.615 . . . . 15.0 112.662 -168.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -80.58 -171.65 1.3 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.539 2.826 . . . . 15.0 112.632 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.97 -3.47 12.66 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.265 -0.425 . . . . 15.0 111.283 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.406 ' C ' ' H ' ' A' ' 464' ' ' LYS . 2.8 mp0 -76.42 114.76 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.487 -0.324 . . . . 15.0 111.346 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 8.3 tt 72.83 -26.53 0.18 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.552 0.741 . . . . 15.0 112.221 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' C ' ' HD3' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.627 -0.701 . . . . 15.0 110.172 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.004 0 CA-C-O 120.958 0.409 . . . . 15.0 110.686 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 22.9 m -125.24 144.57 34.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.17 -0.468 . . . . 15.0 110.813 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.5 m -110.26 105.93 15.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.346 -0.388 . . . . 15.0 111.045 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -74.14 -39.65 63.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 122.43 1.109 . . . . 15.0 108.405 170.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.672 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 4.8 m95 -97.52 150.48 21.05 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 113.298 -1.774 . . . . 15.0 109.055 -172.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 30.0 m -89.01 120.96 30.9 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 106.979 -1.489 . . . . 15.0 106.979 178.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -89.44 102.32 15.0 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 107.422 -1.325 . . . . 15.0 107.422 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.693 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.82 91.31 3.53 Favored 'General case' 0 N--CA 1.433 -1.324 0 CA-C-N 113.715 -1.584 . . . . 15.0 108.326 -159.554 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.1 mttm -120.45 118.54 30.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.75 -1.113 . . . . 15.0 111.001 -168.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.571 ' OG1' ' HE2' ' A' ' 444' ' ' LYS . 30.9 p -134.23 150.51 51.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.664 -0.495 . . . . 15.0 109.664 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.98 -7.43 1.75 Allowed 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.51 -7.83 22.46 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.902 -0.59 . . . . 15.0 110.675 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.62 8.09 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 110.636 -0.985 . . . . 15.0 110.636 -175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.571 ' HE2' ' OG1' ' A' ' 440' ' ' THR . 14.4 ttmm -97.42 112.41 24.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.043 -0.578 . . . . 15.0 111.086 -173.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 0.7 OUTLIER -114.29 89.6 3.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.007 -0.542 . . . . 15.0 109.778 169.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.858 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.0 tp -119.89 127.25 52.54 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.952 0.406 . . . . 15.0 110.959 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.508 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 38.3 m-85 -116.64 89.88 3.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.352 169.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -92.01 122.06 34.17 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.8 -0.636 . . . . 15.0 111.122 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.749 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -139.67 150.43 44.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 15.0 110.147 -178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.887 ' HA ' HD23 ' A' ' 453' ' ' LEU . 26.7 p-10 -90.65 6.99 41.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 15.0 110.498 -166.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.749 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.5 mtt180 -34.76 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 124.154 0.908 . . . . 15.0 110.73 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 23.6 p -120.13 0.68 10.75 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.242 -1.345 . . . . 15.0 109.064 173.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 73.76 51.22 0.12 Allowed 'General case' 0 CA--C 1.507 -0.679 0 CA-C-N 113.873 -1.512 . . . . 15.0 108.433 -159.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -90.1 108.23 19.61 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 113.846 -1.525 . . . . 15.0 108.89 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.1 m -97.01 101.63 13.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.057 -0.72 . . . . 15.0 109.057 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 458' ' ' GLU . 7.2 m -97.25 123.87 41.17 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.049 -0.523 . . . . 15.0 110.296 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.858 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 65.4 m95 -106.36 -0.17 24.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.706 0.765 . . . . 15.0 110.57 -172.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 456' ' ' THR . 45.2 mt-10 -113.52 127.57 56.13 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.652 -1.24 . . . . 15.0 107.652 165.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -59.87 119.29 39.82 Favored Pre-proline 0 C--N 1.324 -0.541 0 N-CA-C 112.889 0.7 . . . . 15.0 112.889 -163.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -82.66 149.01 14.27 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 123.244 2.629 . . . . 15.0 111.889 177.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -91.43 15.02 13.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.028 -0.533 . . . . 15.0 111.071 -174.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.448 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 28.4 mm-40 -71.05 -3.4 19.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.091 -0.504 . . . . 15.0 111.539 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 91.4 mt -72.47 108.0 5.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.044 0.449 . . . . 15.0 110.714 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.526 -0.75 . . . . 15.0 109.742 177.648 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.786 0.327 . . . . 15.0 110.54 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 23.0 m -105.93 139.94 25.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.959 0.409 . . . . 15.0 110.522 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 4.8 p -103.96 96.43 6.67 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.158 0.504 . . . . 15.0 110.694 178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -86.24 -10.8 53.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.943 0.878 . . . . 15.0 109.744 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.765 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 6.7 m95 -89.71 139.83 30.18 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.522 -1.217 . . . . 15.0 108.996 -173.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 86.0 m -89.63 129.79 36.02 Favored 'General case' 0 N--CA 1.439 -1.004 0 N-CA-C 108.487 -0.931 . . . . 15.0 108.487 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.436 ' OE1' ' HA ' ' A' ' 437' ' ' GLU . 2.1 mm-40 -89.18 108.09 19.41 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.974 1.421 . . . . 15.0 108.386 -174.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -136.77 89.83 2.49 Favored 'General case' 0 N--CA 1.429 -1.522 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 -162.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.706 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 54.5 mttp -136.61 114.32 11.15 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.649 -0.705 . . . . 15.0 110.949 -170.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.474 ' C ' ' H ' ' A' ' 442' ' ' ASP . 40.8 p -119.07 150.42 40.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.651 -0.5 . . . . 15.0 109.651 174.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.75 15.31 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.454 0.539 . . . . 15.0 112.454 -178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.474 ' H ' ' C ' ' A' ' 440' ' ' THR . 36.1 t70 -97.23 8.88 43.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.565 0.698 . . . . 15.0 109.331 176.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.4 34.89 7.72 Favored Glycine 0 N--CA 1.453 -0.211 0 CA-C-N 115.664 -0.698 . . . . 15.0 112.469 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.706 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 37.2 ttmt -107.1 106.88 17.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.582 0.23 . . . . 15.0 110.537 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.488 HG23 ' HE3' ' A' ' 439' ' ' LYS . 39.5 m -117.31 89.95 3.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.05 -0.722 . . . . 15.0 109.05 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.85 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.7 tp -123.44 126.96 47.73 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.146 -0.479 . . . . 15.0 111.827 -170.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.521 ' N ' HD12 ' A' ' 446' ' ' LEU . 14.2 m-85 -113.46 90.17 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.979 -1.01 . . . . 15.0 109.343 170.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -89.63 121.29 31.68 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 116.169 -0.468 . . . . 15.0 111.278 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.481 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 45.4 t30 -133.14 150.52 52.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.367 0.603 . . . . 15.0 111.603 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.749 ' HA ' HD23 ' A' ' 453' ' ' LEU . 9.0 p30 -89.6 3.38 52.75 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.079 -0.964 . . . . 15.0 110.621 -167.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.765 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 5.0 mtp180 -36.11 -72.98 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.141 0 O-C-N 124.002 0.814 . . . . 15.0 111.613 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.8 p -119.78 0.52 10.91 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.588 -0.893 . . . . 15.0 108.588 170.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.749 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.1 mt 80.97 40.91 0.06 Allowed 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 113.706 -1.588 . . . . 15.0 107.739 -159.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.427 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 73.5 tt0 -89.74 117.85 28.91 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 113.551 -1.658 . . . . 15.0 108.968 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 65.5 m -108.88 114.91 29.09 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.851 -0.613 . . . . 15.0 110.513 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 20.7 p -91.82 119.14 31.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.118 -0.492 . . . . 15.0 110.741 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.85 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.6 m95 -99.62 2.67 44.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.11 0.957 . . . . 15.0 109.436 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -110.4 132.2 54.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 114.092 -1.413 . . . . 15.0 107.203 162.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -66.96 117.67 47.82 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 112.338 0.496 . . . . 15.0 112.338 -169.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.636 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 94.6 Cg_endo -85.62 162.1 10.82 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.662 2.908 . . . . 15.0 112.731 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.36 8.35 40.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 15.0 110.389 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.636 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 6.1 mm-40 -82.37 26.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.038 -0.528 . . . . 15.0 111.161 -173.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.1 mt -93.57 -133.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.915 0.388 . . . . 15.0 110.812 -177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.504 ' HB2' ' NZ ' ' A' ' 464' ' ' LYS . 9.4 mtmp? . . . . . 0 C--O 1.251 1.146 0 CA-C-O 118.184 -0.913 . . . . 15.0 109.552 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 110.23 -0.285 . . . . 15.0 110.23 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.421 HG22 ' H ' ' A' ' 433' ' ' SER . 9.9 p -163.12 165.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.367 -0.234 . . . . 15.0 110.367 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.421 ' H ' HG22 ' A' ' 432' ' ' VAL . 5.9 t 66.88 80.42 0.22 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.581 0.705 . . . . 15.0 109.887 -178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 4.0 mp0 -67.78 -48.43 66.35 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.9 -1.045 . . . . 15.0 110.583 -176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.691 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.9 m95 -89.79 146.04 24.75 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.148 -0.933 . . . . 15.0 109.014 -169.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 64.0 m -89.47 129.32 35.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 109.268 -0.641 . . . . 15.0 109.268 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -89.29 94.12 9.79 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.185 -1.413 . . . . 15.0 107.185 -175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.41 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -115.38 89.68 3.16 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.81 -1.552 . . . . 15.0 106.81 -163.54 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 87.5 mttt -138.0 119.28 14.65 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.786 -0.643 . . . . 15.0 111.503 -163.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.401 ' C ' ' H ' ' A' ' 442' ' ' ASP . 32.7 p -140.77 150.79 43.82 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.738 -0.467 . . . . 15.0 109.738 -178.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.24 1.11 0.13 Allowed 'General case' 0 N--CA 1.472 0.659 0 CA-C-O 121.004 0.431 . . . . 15.0 112.067 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 440' ' ' THR . 0.6 OUTLIER -66.82 -10.33 46.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.471 0.708 . . . . 15.0 110.463 170.422 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.01 31.38 11.03 Favored Glycine 0 N--CA 1.447 -0.581 0 N-CA-C 110.672 -0.971 . . . . 15.0 110.672 -174.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 4.3 ttmp? -100.49 107.22 18.87 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.087 -0.556 . . . . 15.0 111.022 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 52.2 m -112.64 89.95 3.21 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.804 -0.813 . . . . 15.0 108.804 171.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.877 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.9 tp -128.84 125.92 38.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.764 -0.653 . . . . 15.0 111.604 -167.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.493 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.4 m-85 -113.62 90.15 3.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.37 -0.832 . . . . 15.0 109.459 170.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -90.45 119.63 30.89 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.719 -0.673 . . . . 15.0 110.984 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.691 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 38.8 t30 -135.23 150.2 50.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 15.0 110.842 -178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.734 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.2 p-10 -85.4 -0.85 56.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.059 -0.519 . . . . 15.0 110.685 -165.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.664 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 18.6 mtp180 -32.64 -76.2 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.247 0.967 . . . . 15.0 111.849 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 30.0 p -119.96 0.58 10.82 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 114.516 -1.22 . . . . 15.0 108.495 174.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.734 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.4 mt 74.5 47.42 0.13 Allowed 'General case' 0 CA--C 1.51 -0.591 0 CA-C-N 113.702 -1.59 . . . . 15.0 108.136 -161.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.415 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 29.0 tt0 -89.59 113.8 25.29 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.037 -1.438 . . . . 15.0 109.308 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.467 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 57.2 m -97.35 108.69 21.46 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.46 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -93.7 116.9 29.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.262 -0.426 . . . . 15.0 110.1 -179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.877 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 71.4 m95 -103.39 3.34 35.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.174 0.987 . . . . 15.0 110.156 -177.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -111.14 150.1 29.94 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 113.781 -1.554 . . . . 15.0 106.915 163.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 28.3 mtmm -76.87 116.45 57.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 120.438 -0.505 . . . . 15.0 111.584 -172.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.777 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 73.4 Cg_endo -79.35 152.84 23.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.378 2.719 . . . . 15.0 112.06 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -97.87 6.42 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.41 0.624 . . . . 15.0 109.599 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.777 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 1.4 mm-40 -69.43 -9.01 51.74 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.622 -0.717 . . . . 15.0 110.671 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.86 118.27 18.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.078 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.474 ' NZ ' ' HB3' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.982 0 O-C-N 124.38 1.05 . . . . 15.0 109.714 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . 0.411 ' O ' ' HB ' ' A' ' 432' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 111.382 0.142 . . . . 15.0 111.382 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 431' ' ' ALA . 87.5 t 73.25 -53.84 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 122.93 0.492 . . . . 15.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 33.5 m -95.85 84.67 3.92 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 109.04 -0.726 . . . . 15.0 109.04 171.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -78.82 -83.13 0.09 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.457 -0.792 . . . . 15.0 111.221 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.467 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 23.2 m95 -89.84 127.58 36.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.765 -0.652 . . . . 15.0 109.751 -172.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.529 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 23.7 m -89.73 128.75 36.16 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 108.709 -0.849 . . . . 15.0 108.709 176.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.33 92.45 9.16 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.424 -1.325 . . . . 15.0 107.424 -176.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -115.49 89.93 3.22 Favored 'General case' 0 C--N 1.308 -1.229 0 CA-C-N 113.539 -1.664 . . . . 15.0 108.957 -162.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.538 ' HD2' HG23 ' A' ' 445' ' ' THR . 19.3 mtmm -143.61 138.25 28.9 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.824 -0.35 . . . . 15.0 110.413 -171.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.572 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 36.5 p -130.4 150.37 51.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.883 -0.414 . . . . 15.0 109.883 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.63 -6.94 6.08 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.395 -0.366 . . . . 15.0 111.967 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -87.5 12.92 11.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.386 0.613 . . . . 15.0 110.245 178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.38 69.74 1.21 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.011 -0.614 . . . . 15.0 112.925 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.572 ' HB3' ' H ' ' A' ' 440' ' ' THR . 23.5 ttmm -144.6 127.4 16.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.742 -0.466 . . . . 15.0 109.742 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.538 HG23 ' HD2' ' A' ' 439' ' ' LYS . 93.6 m -136.92 93.86 2.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.408 0.623 . . . . 15.0 109.827 172.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.902 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.4 tp -126.12 129.4 49.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.111 -0.949 . . . . 15.0 110.733 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 436' ' ' THR . 69.3 m-85 -117.99 91.81 3.66 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.383 0.611 . . . . 15.0 109.459 169.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.482 ' HB2' HD11 ' A' ' 446' ' ' LEU . 59.4 t80 -89.84 124.74 34.93 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 114.824 -1.08 . . . . 15.0 111.51 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.775 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.4 t30 -138.26 150.65 46.88 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.725 -0.67 . . . . 15.0 110.501 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.583 ' HA ' HD23 ' A' ' 453' ' ' LEU . 6.6 p30 -87.28 5.05 40.27 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.416 -0.811 . . . . 15.0 110.349 -167.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.775 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 36.7 mtt180 -31.51 -77.8 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.199 0 O-C-N 124.666 1.228 . . . . 15.0 111.689 172.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -120.07 0.98 10.84 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.451 -1.314 . . . . 15.0 107.451 169.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.583 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 86.55 51.85 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.031 -1.895 . . . . 15.0 107.694 -158.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.413 ' OE1' ' HD2' ' A' ' 451' ' ' ARG . 43.4 tt0 -89.88 101.94 14.65 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 113.496 -1.684 . . . . 15.0 108.639 -177.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.7 m -101.02 112.0 24.34 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.219 -0.9 . . . . 15.0 109.8 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.518 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.2 p -91.65 112.95 25.07 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.992 -0.549 . . . . 15.0 111.003 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.902 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.7 m95 -99.88 -2.55 34.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.108 0.956 . . . . 15.0 108.58 177.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.91 134.75 54.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 105.899 -1.889 . . . . 15.0 105.899 162.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -60.2 126.56 84.35 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 15.0 112.919 -164.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HG2' HD22 ' A' ' 463' ' ' LEU . 72.7 Cg_endo -76.96 174.22 13.21 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 123.239 2.626 . . . . 15.0 111.382 174.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -112.42 -5.94 14.05 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.937 -0.305 . . . . 15.0 111.452 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -67.84 -24.82 65.31 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.475 0.546 . . . . 15.0 112.475 -176.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 463' ' ' LEU . 2.6 pt? -87.84 -2.77 58.82 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.807 -0.357 . . . . 15.0 111.234 -175.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.245 0.848 0 CA-C-O 117.926 -1.035 . . . . 15.0 109.584 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.742 0.306 . . . . 15.0 110.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.3 p -127.22 135.57 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.192 -0.458 . . . . 15.0 110.285 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 25.3 p -115.02 114.85 25.93 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.222 -0.444 . . . . 15.0 110.341 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 435' ' ' TRP . 3.1 mp0 -66.17 -55.59 15.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.61 0.719 . . . . 15.0 110.439 178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.721 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 7.0 m95 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.784 -1.098 . . . . 15.0 109.063 -171.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.481 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 54.8 m -89.51 135.22 33.72 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 110.051 -0.352 . . . . 15.0 110.051 -173.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -89.22 107.89 19.31 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.23 1.581 . . . . 15.0 108.007 -175.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.637 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.2 OUTLIER -134.12 90.02 2.63 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.853 -1.067 . . . . 15.0 108.152 -162.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.668 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 58.4 mttm -135.6 126.01 26.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.561 -0.745 . . . . 15.0 111.457 -168.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.0 p -139.52 150.55 45.25 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.79 -0.448 . . . . 15.0 109.79 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.89 -3.68 1.26 Allowed 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.33 0.586 . . . . 15.0 111.123 176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.97 -5.9 34.6 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.53 -0.759 . . . . 15.0 110.541 173.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.09 56.18 1.86 Allowed Glycine 0 N--CA 1.447 -0.629 0 N-CA-C 110.782 -0.927 . . . . 15.0 110.782 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.668 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 13.9 ttmm -133.61 115.03 14.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.722 0.296 . . . . 15.0 110.657 -173.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 39.0 m -127.61 90.34 3.1 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.189 -0.671 . . . . 15.0 109.189 171.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.7 tp -117.19 128.79 55.45 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.253 -0.885 . . . . 15.0 111.085 -173.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.494 ' N ' HD12 ' A' ' 446' ' ' LEU . 34.7 m-85 -108.35 89.78 3.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.689 -0.687 . . . . 15.0 109.186 166.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -89.84 115.62 27.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.177 -0.919 . . . . 15.0 111.195 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.727 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.3 t30 -130.7 150.21 51.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.919 0.39 . . . . 15.0 110.886 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.755 ' HA ' HD23 ' A' ' 453' ' ' LEU . 29.9 p30 -89.84 4.76 48.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.705 -0.68 . . . . 15.0 110.619 -166.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.727 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 21.4 mtp180 -35.95 -75.78 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.102 0.876 . . . . 15.0 111.323 169.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 19.9 p -120.17 0.84 10.76 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 114.359 -1.291 . . . . 15.0 108.572 174.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.755 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.2 mt 75.26 45.76 0.13 Allowed 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 113.819 -1.537 . . . . 15.0 108.238 -161.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.457 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 34.2 tt0 -89.76 119.12 29.88 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 114.166 -1.379 . . . . 15.0 108.433 -177.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 34.4 m -104.35 104.66 14.57 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.258 -0.883 . . . . 15.0 110.351 -176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.442 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 15.3 p -94.58 117.46 30.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.055 -0.52 . . . . 15.0 110.568 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 53.5 m95 -99.37 4.17 46.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 122.848 1.309 . . . . 15.0 108.205 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' A' ' 458' ' ' GLU . 2.4 pt-20 -117.81 132.19 56.48 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 112.661 -2.063 . . . . 15.0 106.977 166.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 459' ' ' LYS . 35.0 mtpt -60.03 128.84 87.7 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 113.02 0.748 . . . . 15.0 113.02 -170.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 56.5 Cg_endo -86.89 141.18 6.15 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.372 2.715 . . . . 15.0 111.214 175.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -75.19 -2.24 26.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.298 -0.41 . . . . 15.0 111.41 -174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -66.01 -10.4 39.33 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.432 -0.349 . . . . 15.0 111.695 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.85 9.69 10.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.76 -0.2 . . . . 15.0 111.181 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.152 -0.928 . . . . 15.0 110.626 -179.139 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.664 -0.124 . . . . 15.0 110.664 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.34 81.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 CA-C-O 120.873 0.368 . . . . 15.0 110.349 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 22.0 m 62.69 94.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.551 -0.75 . . . . 15.0 110.931 -176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.35 -29.59 62.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.398 0.618 . . . . 15.0 110.39 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.798 ' HH2' HH11 ' A' ' 451' ' ' ARG . 9.2 m95 -89.95 142.8 27.36 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.436 -0.802 . . . . 15.0 108.988 -172.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 87.5 m -89.44 131.56 35.43 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 109.535 -0.543 . . . . 15.0 109.535 -176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -89.13 106.81 18.68 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 125.081 1.488 . . . . 15.0 108.313 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.455 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -132.42 89.97 2.73 Favored 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.34 -1.754 . . . . 15.0 108.151 -162.417 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.79 ' HE3' HG23 ' A' ' 445' ' ' THR . 65.3 mttp -138.03 136.63 37.05 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.793 -0.64 . . . . 15.0 111.174 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 75.0 p -131.41 150.1 52.28 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.325 -0.62 . . . . 15.0 109.325 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.36 -9.97 14.52 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.436 0.532 . . . . 15.0 112.436 -175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -82.46 5.27 21.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.454 0.645 . . . . 15.0 110.386 178.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 69.54 1.22 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.089 -0.577 . . . . 15.0 112.466 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 19.8 ttmm -134.69 108.8 8.21 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.329 -0.619 . . . . 15.0 109.329 175.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.79 HG23 ' HE3' ' A' ' 439' ' ' LYS . 36.9 m -115.16 91.1 3.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.064 0.459 . . . . 15.0 110.026 176.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.903 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.1 tp -120.52 126.99 51.74 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.933 -0.576 . . . . 15.0 111.496 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.449 ' N ' HD12 ' A' ' 446' ' ' LEU . 8.7 m-85 -110.19 89.75 3.11 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.548 -0.751 . . . . 15.0 108.982 168.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -90.18 120.9 31.73 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.912 -0.585 . . . . 15.0 111.092 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.706 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 33.0 t30 -136.72 150.36 48.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.819 0.342 . . . . 15.0 111.451 -177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.7 p-10 -86.04 -1.0 56.95 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.894 -167.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.798 HH11 ' HH2' ' A' ' 435' ' ' TRP . 13.9 mtp180 -39.0 -73.71 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 CA-C-O 121.902 0.858 . . . . 15.0 111.917 170.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.616 ' OG1' ' HB2' ' A' ' 454' ' ' GLU . 1.2 p -120.18 0.74 10.74 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.453 -1.249 . . . . 15.0 109.278 176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.3 mt 70.4 48.51 0.47 Allowed 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 114.216 -1.356 . . . . 15.0 107.598 -159.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.616 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 10.1 tt0 -89.59 116.68 27.92 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.827 -1.533 . . . . 15.0 108.639 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.518 ' HB3' ' HE1' ' A' ' 457' ' ' TRP . 19.9 m -102.23 100.29 10.48 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.285 -0.87 . . . . 15.0 109.744 -175.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.71 100.18 12.94 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.854 -0.612 . . . . 15.0 110.27 -177.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.903 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 67.7 m95 -88.52 2.02 53.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 122.172 0.987 . . . . 15.0 109.415 179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -110.33 132.87 53.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 113.669 -1.605 . . . . 15.0 107.108 165.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -72.37 114.83 33.15 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-O 120.862 0.363 . . . . 15.0 111.976 -169.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.658 ' HB2' ' HG2' ' A' ' 462' ' ' GLU . 88.8 Cg_endo -85.25 -25.33 1.74 Allowed 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.19 2.593 . . . . 15.0 113.941 -176.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 461' ' ' GLN . 59.9 tt0 63.15 15.69 8.74 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 121.095 0.474 . . . . 15.0 111.487 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.658 ' HG2' ' HB2' ' A' ' 460' ' ' PRO . 71.5 mm-40 -77.83 17.66 0.55 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.288 0.477 . . . . 15.0 112.288 -176.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.446 ' N ' HD12 ' A' ' 463' ' ' LEU . 6.8 mp -87.0 -3.27 59.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.154 0.502 . . . . 15.0 110.307 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--O 1.244 0.789 0 N-CA-C 108.807 -0.812 . . . . 15.0 108.807 179.787 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.661 0.267 . . . . 15.0 110.737 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.9 m -122.39 150.27 25.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.726 0.298 . . . . 15.0 110.715 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.1 m -135.41 110.41 8.82 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.355 -0.609 . . . . 15.0 109.355 175.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -62.38 -76.52 0.06 Allowed 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.44 -0.345 . . . . 15.0 111.319 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.897 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 13.8 m95 -92.33 138.86 31.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.949 -1.13 . . . . 15.0 107.949 -171.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.679 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 85.3 m -89.2 129.57 35.76 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.934 -0.765 . . . . 15.0 108.934 -175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -89.23 92.35 9.14 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 106.793 -1.558 . . . . 15.0 106.793 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.475 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -109.2 89.99 3.16 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 112.833 -1.985 . . . . 15.0 107.738 -165.192 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.3 mttt -132.12 126.98 35.0 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.102 -0.954 . . . . 15.0 110.348 -167.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.664 ' H ' ' HB3' ' A' ' 444' ' ' LYS . 19.9 p -127.81 150.43 49.83 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.112 -0.699 . . . . 15.0 109.112 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.01 -21.11 60.91 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.523 0.515 . . . . 15.0 112.108 -172.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -91.87 63.73 4.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.987 0.422 . . . . 15.0 110.479 176.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 54.14 70.03 1.06 Allowed Glycine 0 CA--C 1.524 0.627 0 CA-C-N 115.733 -0.667 . . . . 15.0 114.678 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.664 ' HB3' ' H ' ' A' ' 440' ' ' THR . 4.7 ttmp? -138.88 108.7 6.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 117.291 0.546 . . . . 15.0 110.589 172.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 27.2 m -119.16 90.0 3.24 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.317 -0.623 . . . . 15.0 109.317 172.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.874 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 8.5 tp -125.85 133.17 52.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.274 -0.421 . . . . 15.0 111.187 -172.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.679 ' HA ' ' O ' ' A' ' 436' ' ' THR . 59.1 m-85 -117.28 89.99 3.24 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.952 0.406 . . . . 15.0 110.255 169.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -89.7 123.5 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.828 -0.624 . . . . 15.0 110.787 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.897 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 18.2 t30 -137.3 150.07 47.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.758 -0.201 . . . . 15.0 111.431 -175.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.484 ' HA ' HD23 ' A' ' 453' ' ' LEU . 30.8 p30 -81.47 -9.49 59.7 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.05 0.452 . . . . 15.0 110.647 -171.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.495 ' HB2' ' ND2' ' A' ' 449' ' ' ASN . 20.3 mtt180 -41.5 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.247 -0.888 . . . . 15.0 112.671 167.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.749 ' HB ' ' HB2' ' A' ' 454' ' ' GLU . 0.3 OUTLIER -120.12 0.38 10.7 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 116.005 -0.543 . . . . 15.0 110.039 -177.717 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 57.03 39.85 29.0 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 106.733 -1.58 . . . . 15.0 106.733 -155.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.749 ' HB2' ' HB ' ' A' ' 452' ' ' THR . 24.9 tt0 -89.83 122.6 33.04 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 112.98 -1.918 . . . . 15.0 107.909 -172.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.625 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 97.3 p -117.03 106.04 12.95 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 115.331 -0.849 . . . . 15.0 109.975 -174.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.485 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 10.6 p -90.03 127.73 36.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.207 -0.451 . . . . 15.0 110.316 177.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.874 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 73.5 m95 -106.41 1.08 25.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 122.576 1.179 . . . . 15.0 108.794 -179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.57 134.74 53.94 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-N 113.029 -1.896 . . . . 15.0 107.414 163.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.62 124.07 88.37 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.709 -0.397 . . . . 15.0 111.835 -173.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -83.28 -168.58 0.59 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.395 2.73 . . . . 15.0 112.491 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.428 HE21 ' HB3' ' A' ' 461' ' ' GLN . 6.6 tt0 -82.53 -27.25 31.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.017 0.437 . . . . 15.0 110.199 176.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 463' ' ' LEU . 21.3 mp0 -84.99 118.37 24.52 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.831 -0.622 . . . . 15.0 109.922 -179.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 462' ' ' GLU . 4.6 mm? 78.1 -21.1 0.35 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.813 0.845 . . . . 15.0 111.813 -176.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt . . . . . 0 C--O 1.244 0.804 0 CA-C-O 118.28 -0.867 . . . . 15.0 111.744 173.7 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 120.827 0.346 . . . . 15.0 110.797 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.48 29.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.047 0.451 . . . . 15.0 111.564 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 8.4 t -141.48 -169.27 2.84 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.891 -0.411 . . . . 15.0 109.891 177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -88.87 -19.79 25.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.4 0.619 . . . . 15.0 110.257 -176.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.737 ' HH2' HH11 ' A' ' 451' ' ' ARG . 4.0 m95 -89.75 146.48 24.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.717 -172.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 61.0 m -89.78 123.66 33.97 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.281 -1.007 . . . . 15.0 108.281 173.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -89.11 104.98 17.49 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.224 -1.399 . . . . 15.0 107.224 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -117.5 90.07 3.25 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 114.419 -1.264 . . . . 15.0 108.03 -162.194 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 96.5 mttt -125.08 131.06 53.38 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.101 -0.954 . . . . 15.0 110.415 -170.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.567 HG22 ' HB3' ' A' ' 444' ' ' LYS . 2.0 t -150.2 150.29 31.39 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.936 -0.394 . . . . 15.0 109.936 178.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.04 -5.67 1.1 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.515 0.51 . . . . 15.0 112.04 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.26 -10.07 51.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.352 0.596 . . . . 15.0 110.502 172.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.06 48.05 3.69 Favored Glycine 0 N--CA 1.45 -0.421 0 N-CA-C 111.544 -0.623 . . . . 15.0 111.544 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.567 ' HB3' HG22 ' A' ' 440' ' ' THR . 4.8 ttmp? -119.26 120.45 37.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.591 -0.305 . . . . 15.0 110.513 -176.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 80.5 m -125.27 89.99 3.15 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.187 -0.671 . . . . 15.0 109.187 173.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.894 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.6 tp -125.37 130.69 52.43 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.958 -0.565 . . . . 15.0 111.263 -171.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 436' ' ' THR . 14.4 m-85 -116.13 89.87 3.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.99 -0.55 . . . . 15.0 109.645 170.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -89.61 122.96 33.24 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.069 -0.514 . . . . 15.0 111.028 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.671 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 39.1 t30 -137.88 150.42 47.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.114 0.483 . . . . 15.0 111.638 -177.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.768 ' HA ' HD23 ' A' ' 453' ' ' LEU . 8.9 p30 -86.94 0.86 54.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.223 -0.898 . . . . 15.0 110.581 -167.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.737 HH11 ' HH2' ' A' ' 435' ' ' TRP . 21.6 mtp180 -35.02 -74.88 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.251 0 O-C-N 124.233 0.958 . . . . 15.0 111.523 171.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.493 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 20.3 p -120.01 0.5 10.78 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.731 -1.122 . . . . 15.0 108.401 172.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.768 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.8 mt 77.83 43.06 0.1 Allowed 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 113.608 -1.633 . . . . 15.0 108.381 -160.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.486 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 31.5 tt0 -89.71 116.67 28.0 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 114.065 -1.425 . . . . 15.0 108.456 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 24.6 m -104.79 111.02 23.6 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.096 -0.956 . . . . 15.0 109.859 -178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.92 116.13 27.75 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.324 0.583 . . . . 15.0 110.698 179.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.894 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.1 m95 -98.33 10.48 40.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 122.681 1.229 . . . . 15.0 108.506 178.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -119.91 131.75 55.32 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 112.667 -2.06 . . . . 15.0 107.36 169.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 9.5 mtpm? -65.17 124.8 87.88 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 112.295 0.48 . . . . 15.0 112.295 -173.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.511 ' HB2' ' OE1' ' A' ' 462' ' ' GLU . 95.0 Cg_endo -94.11 -168.85 0.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 123.64 2.893 . . . . 15.0 112.426 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -129.82 9.25 5.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.077 0.465 . . . . 15.0 111.591 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.511 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 7.3 mp0 -79.42 -1.59 37.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.083 0.468 . . . . 15.0 111.023 -176.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.766 HD23 ' H ' ' A' ' 463' ' ' LEU . 2.4 pt? -100.4 -1.76 35.12 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.315 -0.402 . . . . 15.0 110.557 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 82.6 tttt . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.403 -0.808 . . . . 15.0 110.004 -178.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.272 0.082 . . . . 15.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 464' ' ' LYS . 33.7 m -113.76 22.2 5.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 121.579 0.704 . . . . 15.0 110.165 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 21.9 m -92.52 143.1 26.69 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.964 176.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.74 -16.09 63.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.532 0.682 . . . . 15.0 110.07 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.846 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 9.3 m95 -89.74 138.5 31.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.194 -0.912 . . . . 15.0 108.839 -175.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 56.1 m -89.45 124.96 34.96 Favored 'General case' 0 N--CA 1.438 -1.041 0 N-CA-C 108.704 -0.85 . . . . 15.0 108.704 -178.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -89.33 100.55 13.32 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 106.888 -1.523 . . . . 15.0 106.888 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.74 89.82 3.21 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-N 113.711 -1.586 . . . . 15.0 108.958 -161.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.736 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 49.9 mttp -124.74 123.92 41.03 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.534 -0.757 . . . . 15.0 110.431 -176.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 442' ' ' ASP . 77.0 p -115.9 150.39 37.15 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 109.658 -0.497 . . . . 15.0 109.658 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.4 3.95 0.42 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.927 0.394 . . . . 15.0 111.87 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.409 ' H ' ' C ' ' A' ' 440' ' ' THR . 33.7 t70 -89.26 -2.13 58.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.514 0.674 . . . . 15.0 109.732 174.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.34 52.1 2.6 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.211 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.736 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.7 ttmt -114.69 119.32 36.3 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.139 -0.319 . . . . 15.0 110.139 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 57.1 m -120.06 92.57 3.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.196 0.522 . . . . 15.0 109.983 174.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 5.3 tp -127.39 137.74 52.83 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 15.0 111.024 -172.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.5 m-85 -124.34 89.75 3.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.404 0.621 . . . . 15.0 110.083 172.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -89.71 120.74 31.23 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 114.816 -1.084 . . . . 15.0 111.466 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.707 ' HB2' ' HA ' ' A' ' 435' ' ' TRP . 23.3 t30 -131.03 150.25 52.23 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.99 0.424 . . . . 15.0 111.41 -177.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.723 ' HA ' HD23 ' A' ' 453' ' ' LEU . 5.1 p-10 -89.07 8.3 30.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.848 -167.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.846 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 8.7 mtp180 -38.0 -75.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 O-C-N 123.936 0.773 . . . . 15.0 110.785 165.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 55.2 p -120.17 0.6 10.71 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.053 -0.976 . . . . 15.0 109.479 171.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.723 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 80.35 40.18 0.08 Allowed 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 114.41 -1.268 . . . . 15.0 107.995 -162.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 39.4 tt0 -90.11 114.76 26.75 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 113.885 -1.507 . . . . 15.0 109.161 -176.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.7 m -97.19 111.63 23.78 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 115.427 -0.806 . . . . 15.0 110.589 -178.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 21.7 p -92.58 110.85 22.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.242 -0.435 . . . . 15.0 110.508 178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 62.8 m95 -93.33 0.87 57.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.083 0.944 . . . . 15.0 109.278 178.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.47 135.78 54.61 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.957 -1.498 . . . . 15.0 106.957 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.466 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 49.8 mtpt -60.43 126.75 85.34 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 112.665 0.617 . . . . 15.0 112.665 -169.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.75 ' HD2' HD11 ' A' ' 463' ' ' LEU . 65.2 Cg_endo -90.28 7.35 3.82 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 123.325 2.683 . . . . 15.0 112.178 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 69.41 -3.07 1.69 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.7 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -94.07 75.32 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.467 -0.568 . . . . 15.0 109.467 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.75 HD11 ' HD2' ' A' ' 460' ' ' PRO . 6.8 mp -129.44 82.12 2.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.49 -0.777 . . . . 15.0 111.425 -177.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 432' ' ' VAL . 22.9 mtpp . . . . . 0 C--O 1.241 0.62 0 N-CA-C 109.011 -0.737 . . . . 15.0 109.011 171.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.139 0 CA-C-O 120.759 0.314 . . . . 15.0 111.093 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 60.5 t -96.93 -30.77 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.6 -0.273 . . . . 15.0 110.502 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 52.6 m 64.83 100.18 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.755 -0.657 . . . . 15.0 109.934 -172.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -63.46 -65.82 0.63 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.231 -0.895 . . . . 15.0 111.426 -172.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 24.4 m95 -89.72 150.13 22.45 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 109.546 -0.539 . . . . 15.0 109.546 -172.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 50.6 m -89.45 133.57 34.49 Favored 'General case' 0 C--O 1.246 0.893 0 N-CA-C 109.261 -0.644 . . . . 15.0 109.261 -176.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.63 ' HG2' HD21 ' A' ' 463' ' ' LEU . 3.8 mm-40 -88.99 105.14 17.59 Favored 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 124.946 1.404 . . . . 15.0 108.737 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -129.25 89.7 2.9 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 113.206 -1.815 . . . . 15.0 107.244 -163.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.714 ' HE3' HG23 ' A' ' 445' ' ' THR . 62.3 mttp -138.32 133.1 32.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.246 -0.888 . . . . 15.0 110.749 -169.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.862 HG23 ' HE2' ' A' ' 444' ' ' LYS . 40.1 p -126.97 150.25 49.48 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 109.97 -0.382 . . . . 15.0 109.97 178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.86 -14.09 30.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.172 0.511 . . . . 15.0 110.742 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.67 1.05 13.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.598 -0.728 . . . . 15.0 110.977 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.26 69.97 1.22 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.879 -0.677 . . . . 15.0 112.341 179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.862 ' HE2' HG23 ' A' ' 440' ' ' THR . 38.6 ttpt -138.11 112.88 8.98 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.108 -0.33 . . . . 15.0 110.108 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.714 HG23 ' HE3' ' A' ' 439' ' ' LYS . 22.5 m -116.58 89.89 3.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.62 -0.511 . . . . 15.0 109.62 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.5 tp -127.09 131.36 50.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.054 0.454 . . . . 15.0 112.001 -170.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.57 ' HB3' ' HB3' ' A' ' 435' ' ' TRP . 14.2 m-85 -114.19 89.74 3.17 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.139 -0.937 . . . . 15.0 109.334 171.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.455 ' CE1' HD22 ' A' ' 453' ' ' LEU . 37.8 t80 -89.92 121.03 31.65 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.865 -0.607 . . . . 15.0 110.77 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.833 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 52.6 t30 -138.14 150.19 46.58 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.486 -0.486 . . . . 15.0 111.909 -177.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.971 ' HA ' HD23 ' A' ' 453' ' ' LEU . 25.0 p30 -88.14 3.66 48.38 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.182 -0.917 . . . . 15.0 110.696 -165.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.833 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 32.3 mtt180 -38.4 -73.41 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.691 -1.141 . . . . 15.0 111.342 169.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 45.2 p -120.11 0.42 10.71 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.925 -1.034 . . . . 15.0 108.787 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.971 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.2 mt 70.66 51.0 0.34 Allowed 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 113.756 -1.566 . . . . 15.0 109.468 -162.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -99.35 116.91 32.6 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.903 -1.044 . . . . 15.0 108.517 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.618 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 99.3 p -92.55 110.21 21.63 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.846 -0.798 . . . . 15.0 108.846 176.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.12 132.79 36.93 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.915 -0.584 . . . . 15.0 110.501 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.8 m95 -117.55 2.1 12.34 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 122.002 0.906 . . . . 15.0 109.442 -177.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.87 125.32 48.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.128 -1.396 . . . . 15.0 108.181 167.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.561 ' HB3' ' NZ ' ' A' ' 459' ' ' LYS . 7.1 mtpm? -61.73 128.56 90.49 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 113.532 0.938 . . . . 15.0 113.532 -171.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 3.0 Cg_endo -85.62 -176.61 2.32 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.063 2.508 . . . . 15.0 110.127 169.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -78.71 -21.95 47.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.019 0.438 . . . . 15.0 110.477 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.641 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 37.0 mt-10 -83.6 122.33 28.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.311 -0.404 . . . . 15.0 110.376 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.63 HD21 ' HG2' ' A' ' 437' ' ' GLU . 44.7 tp 73.08 122.9 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.183 0.927 . . . . 15.0 111.857 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.247 0.946 0 N-CA-C 109.059 -0.719 . . . . 15.0 109.059 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.534 0.207 . . . . 15.0 110.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 432' ' ' VAL . 21.5 t 69.81 12.43 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.882 0.849 . . . . 15.0 110.529 176.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 7.9 t -162.3 38.24 0.12 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.719 -0.673 . . . . 15.0 109.921 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -60.06 -59.79 4.86 Favored 'General case' 0 CA--C 1.521 -0.151 0 CA-C-O 121.416 0.627 . . . . 15.0 109.559 -179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.604 ' HA ' ' HB2' ' A' ' 449' ' ' ASN . 17.0 m95 -98.32 145.81 26.3 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 107.223 -1.399 . . . . 15.0 107.223 177.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 57.6 m -89.32 125.54 35.16 Favored 'General case' 0 N--CA 1.438 -1.073 0 N-CA-C 108.433 -0.951 . . . . 15.0 108.433 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.06 105.24 17.66 Favored 'General case' 0 CA--C 1.503 -0.846 0 N-CA-C 107.489 -1.3 . . . . 15.0 107.489 -171.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.442 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.88 89.96 2.96 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.496 -1.229 . . . . 15.0 108.478 -160.388 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.8 mtpm? -131.74 136.14 47.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.589 -0.732 . . . . 15.0 110.668 -170.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 21.1 p -143.84 150.47 38.54 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.529 -0.545 . . . . 15.0 109.529 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.72 -8.58 2.14 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.538 0.685 . . . . 15.0 110.877 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -60.65 -14.32 19.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.048 -0.978 . . . . 15.0 111.162 170.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.18 33.39 8.85 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.16 -0.776 . . . . 15.0 111.16 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.8 ttmm -102.83 115.31 30.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.461 -0.37 . . . . 15.0 110.477 -176.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 90.0 m -118.06 91.43 3.56 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.871 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.2 tp -126.33 133.47 51.36 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.082 -0.508 . . . . 15.0 111.672 -172.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.629 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.9 m-85 -124.95 92.24 3.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.629 -0.714 . . . . 15.0 110.04 170.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -89.87 124.75 34.96 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.425 -0.807 . . . . 15.0 111.712 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.772 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 32.9 t30 -137.39 150.62 47.81 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.309 -0.405 . . . . 15.0 110.821 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.663 ' HA ' HD23 ' A' ' 453' ' ' LEU . 34.0 p30 -86.78 2.89 47.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 15.0 110.793 -166.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.772 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 24.5 mtt180 -34.69 -76.13 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 O-C-N 124.349 1.031 . . . . 15.0 111.368 171.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.451 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 29.1 p -120.1 0.64 10.76 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.267 -1.333 . . . . 15.0 108.342 173.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.663 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.6 mt 77.84 45.59 0.07 Allowed 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 113.811 -1.541 . . . . 15.0 107.898 -161.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.43 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 43.8 tt0 -89.65 111.05 21.89 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 113.678 -1.601 . . . . 15.0 108.737 -177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.0 m -101.84 113.67 27.06 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.099 -0.955 . . . . 15.0 109.84 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.463 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 0.7 OUTLIER -90.98 114.07 26.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.13 -0.487 . . . . 15.0 110.874 -179.212 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.871 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 74.5 m95 -101.26 -6.02 24.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.818 0.818 . . . . 15.0 109.499 178.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -105.79 125.67 51.26 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.184 -1.371 . . . . 15.0 107.367 163.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -61.25 118.6 38.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.031 0.443 . . . . 15.0 111.879 -169.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -79.71 -168.41 0.63 Allowed 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.075 2.517 . . . . 15.0 111.786 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -103.95 -11.4 17.47 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.888 0.375 . . . . 15.0 110.987 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.09 120.36 33.3 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.464 -0.569 . . . . 15.0 109.464 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.5 tt -171.21 108.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.856 -0.338 . . . . 15.0 111.166 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 464' ' ' LYS . 24.3 ttmm . . . . . 0 C--O 1.25 1.129 0 O-C-N 123.784 0.677 . . . . 15.0 112.111 167.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 109.53 -0.544 . . . . 15.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.0 m -101.88 -23.71 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.614 -0.266 . . . . 15.0 111.318 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.2 p 47.15 94.73 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 O-C-N 124.033 0.833 . . . . 15.0 112.174 -174.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 434' ' ' GLU . 1.3 mp0 -61.81 -53.92 49.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.623 0.725 . . . . 15.0 110.501 -179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.433 ' CE3' ' CB ' ' A' ' 449' ' ' ASN . 4.2 m95 -89.84 142.25 27.87 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.888 -1.051 . . . . 15.0 109.092 -175.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.589 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 28.5 m -89.6 125.92 35.42 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.886 -0.783 . . . . 15.0 108.886 176.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.34 109.43 20.33 Favored 'General case' 0 CA--C 1.509 -0.624 0 N-CA-C 107.338 -1.356 . . . . 15.0 107.338 -177.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.436 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -128.18 89.96 3.0 Favored 'General case' 0 N--CA 1.434 -1.227 0 CA-C-N 114.914 -1.039 . . . . 15.0 108.705 -160.649 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 93.4 mttt -123.6 114.93 20.68 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.782 -0.645 . . . . 15.0 111.034 -171.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 70.2 p -129.21 150.41 50.6 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.034 -0.416 . . . . 15.0 110.228 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.33 -3.55 4.26 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.267 0.556 . . . . 15.0 111.478 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -75.53 -0.01 18.83 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.509 -0.769 . . . . 15.0 110.407 176.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.07 56.92 1.75 Allowed Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 111.123 -0.791 . . . . 15.0 111.123 -178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 17.5 ttmm -135.55 113.56 11.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.839 0.352 . . . . 15.0 110.868 -175.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 32.2 m -123.7 89.97 3.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.391 -0.966 . . . . 15.0 108.391 170.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.883 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 7.1 tp -124.81 131.58 53.43 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.115 -0.948 . . . . 15.0 111.925 -166.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.589 ' HA ' ' O ' ' A' ' 436' ' ' THR . 22.3 m-85 -120.32 91.89 3.64 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.654 -0.703 . . . . 15.0 109.509 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -89.59 127.66 35.92 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.041 -0.527 . . . . 15.0 111.231 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.758 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 48.1 t30 -141.77 150.57 41.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.913 -0.585 . . . . 15.0 110.76 -176.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.744 ' HA ' HD23 ' A' ' 453' ' ' LEU . 32.7 p30 -85.31 2.2 45.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.662 -0.699 . . . . 15.0 110.651 -166.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.758 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 33.4 mtp180 -28.97 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 O-C-N 124.716 1.26 . . . . 15.0 111.703 174.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 71.5 p -119.93 0.7 10.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 107.447 -1.316 . . . . 15.0 107.447 171.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 79.16 71.64 0.04 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 CA-C-N 112.682 -2.054 . . . . 15.0 108.081 -156.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -120.47 126.23 49.89 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.348 -1.751 . . . . 15.0 108.499 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.603 ' HB2' ' CD1' ' A' ' 446' ' ' LEU . 46.3 p -115.79 118.25 32.51 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 121.284 0.564 . . . . 15.0 109.879 -179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.02 104.73 17.27 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.934 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.883 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.6 m95 -90.1 1.25 56.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.037 0.922 . . . . 15.0 109.441 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -115.64 123.69 49.02 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 113.9 -1.5 . . . . 15.0 107.361 160.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -59.8 121.11 55.53 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 112.764 0.653 . . . . 15.0 112.764 -167.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.71 -15.05 4.17 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.323 2.682 . . . . 15.0 113.238 -179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 67.76 3.7 3.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.483 0.713 . . . . 15.0 112.401 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -80.79 127.42 32.49 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.987 -0.375 . . . . 15.0 109.987 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 28.1 tp -173.81 117.08 0.25 Allowed 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.061 0.225 . . . . 15.0 110.917 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? . . . . . 0 C--O 1.243 0.75 0 CA-C-O 118.483 -0.77 . . . . 15.0 110.337 173.521 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.804 0.335 . . . . 15.0 110.813 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 30.8 m -120.03 22.26 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 110.097 -0.334 . . . . 15.0 110.097 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 46.7 m 62.73 88.61 0.09 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.258 -0.883 . . . . 15.0 109.247 -167.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -68.7 -80.18 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.925 -1.034 . . . . 15.0 111.374 -173.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.684 ' CH2' ' HD3' ' A' ' 451' ' ' ARG . 12.2 m95 -90.0 133.97 34.5 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.094 -1.076 . . . . 15.0 108.094 -175.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.681 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 96.4 m -89.28 125.02 34.93 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 108.454 -0.943 . . . . 15.0 108.454 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.38 92.16 9.02 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 106.65 -1.611 . . . . 15.0 106.65 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.492 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -111.84 89.76 3.15 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 113.516 -1.675 . . . . 15.0 106.803 -163.124 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 29.2 mtpt -135.6 122.71 21.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.069 -0.969 . . . . 15.0 110.164 -164.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 442' ' ' ASP . 2.8 t -150.19 150.33 31.45 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.025 0.375 . . . . 15.0 110.238 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.42 -0.97 0.66 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 122.764 0.426 . . . . 15.0 111.923 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 440' ' ' THR . 20.6 t70 -68.25 -9.28 46.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.511 0.672 . . . . 15.0 110.094 171.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 63.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.633 -0.987 . . . . 15.0 110.633 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 14.3 ttmm -144.65 109.38 4.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.61 0.243 . . . . 15.0 110.593 -173.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 457' ' ' TRP . 33.3 m -116.5 89.82 3.19 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 15.0 108.956 172.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.897 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 9.6 tp -126.75 131.3 51.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.741 -0.663 . . . . 15.0 111.284 -169.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.681 ' HA ' ' O ' ' A' ' 436' ' ' THR . 75.1 m-85 -122.1 89.97 3.22 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.362 0.601 . . . . 15.0 109.745 170.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -89.85 122.75 33.2 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 115.208 -0.906 . . . . 15.0 111.403 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.668 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 35.0 t30 -131.92 150.49 52.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.097 0.475 . . . . 15.0 111.288 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.633 ' HA ' HD23 ' A' ' 453' ' ' LEU . 28.4 p30 -84.65 1.3 46.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.977 -1.01 . . . . 15.0 110.501 -167.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.684 ' HD3' ' CH2' ' A' ' 435' ' ' TRP . 17.3 mtp180 -37.6 -78.32 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 O-C-N 124.001 0.813 . . . . 15.0 111.551 170.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 13.1 p -117.86 0.67 11.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.615 -1.175 . . . . 15.0 108.574 174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 450' ' ' ASN . 3.8 mt 76.71 42.44 0.15 Allowed 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 113.714 -1.585 . . . . 15.0 108.231 -164.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB2' ' OG1' ' A' ' 452' ' ' THR . 33.8 tt0 -89.72 114.71 26.42 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 114.457 -1.247 . . . . 15.0 108.921 -176.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.453 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 24.8 m -99.43 112.38 24.58 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.756 -1.111 . . . . 15.0 109.922 -177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.56 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 2.9 p -93.13 119.08 31.95 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.176 0.512 . . . . 15.0 110.782 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.897 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 72.3 m95 -103.76 3.42 34.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.002 0.906 . . . . 15.0 109.033 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -113.61 125.38 54.1 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 113.863 -1.517 . . . . 15.0 107.275 163.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -60.07 121.35 58.27 Favored Pre-proline 0 C--N 1.327 -0.382 0 O-C-N 123.205 0.316 . . . . 15.0 111.65 -170.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.577 ' O ' ' HB2' ' A' ' 461' ' ' GLN . 72.4 Cg_endo -76.27 -93.28 0.01 OUTLIER 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 122.888 2.392 . . . . 15.0 112.509 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.577 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 5.4 tp-100 164.27 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 122.488 0.315 . . . . 15.0 110.85 -175.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.444 ' HB2' ' NE1' ' A' ' 435' ' ' TRP . 7.6 mm-40 -70.58 6.62 1.35 Allowed 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.317 0.858 . . . . 15.0 113.317 -174.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.473 ' H ' ' CD1' ' A' ' 463' ' ' LEU . 0.0 OUTLIER -88.91 -9.93 49.74 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.658 -0.417 . . . . 15.0 110.983 -177.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.452 ' HB2' ' NZ ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.735 0 CA-C-O 118.139 -0.934 . . . . 15.0 110.032 177.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.045 -0.354 . . . . 15.0 110.045 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.444 ' HA ' ' OXT' ' A' ' 464' ' ' LYS . 7.4 p 41.69 85.15 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 O-C-N 124.331 1.019 . . . . 15.0 111.848 -176.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 26.3 t 69.91 106.31 0.06 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 114.953 -1.021 . . . . 15.0 110.408 -175.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -81.73 -16.01 52.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.47 0.652 . . . . 15.0 110.371 -177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.845 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 6.7 m95 -90.87 150.14 21.66 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.255 -0.884 . . . . 15.0 109.004 -175.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 89.2 m -89.65 127.59 35.94 Favored 'General case' 0 N--CA 1.437 -1.124 0 N-CA-C 107.688 -1.227 . . . . 15.0 107.688 175.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -88.96 103.78 16.36 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 107.154 -1.424 . . . . 15.0 107.154 -175.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . 0.469 ' HB3' ' HB3' ' A' ' 446' ' ' LEU . 0.3 OUTLIER -122.36 96.65 5.13 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.653 -1.158 . . . . 15.0 108.271 -161.559 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.647 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 98.7 mttt -128.67 127.86 42.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.633 -0.712 . . . . 15.0 110.578 -169.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.413 HG23 ' HD2' ' A' ' 444' ' ' LYS . 19.8 p -136.94 150.44 48.18 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 109.135 -0.691 . . . . 15.0 109.135 179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.57 -2.94 0.87 Allowed 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.209 0.448 . . . . 15.0 112.209 -178.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.97 0.18 28.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.335 0.588 . . . . 15.0 109.959 176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.25 28.9 15.98 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.7 -0.682 . . . . 15.0 111.656 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.647 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 40.8 ttmt -91.45 113.45 25.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.626 0.251 . . . . 15.0 110.485 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -123.74 89.94 3.18 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.926 -0.768 . . . . 15.0 108.926 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.923 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.9 tp -125.79 132.83 52.2 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.615 -0.721 . . . . 15.0 112.031 -167.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.53 ' N ' HD12 ' A' ' 446' ' ' LEU . 85.5 m-85 -120.85 90.68 3.37 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.268 -0.878 . . . . 15.0 109.882 172.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -89.76 122.14 32.56 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 116.02 -0.536 . . . . 15.0 111.71 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.693 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 33.6 t30 -138.04 150.57 47.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.002 -0.545 . . . . 15.0 110.682 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.92 ' HA ' HD23 ' A' ' 453' ' ' LEU . 10.1 p30 -83.38 -2.49 55.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.492 -0.777 . . . . 15.0 110.756 -164.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.693 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 38.3 mtt180 -24.07 -73.41 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.396 0 O-C-N 125.048 1.467 . . . . 15.0 111.853 177.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 10.2 t -119.98 0.69 10.83 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.247 -1.39 . . . . 15.0 107.247 167.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.92 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 81.79 68.99 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.851 0 CA-C-N 112.812 -1.995 . . . . 15.0 108.128 -159.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.414 ' HB2' HG22 ' A' ' 452' ' ' THR . 28.4 tt0 -119.23 108.48 14.7 Favored 'General case' 0 N--CA 1.435 -1.207 0 CA-C-N 113.655 -1.611 . . . . 15.0 108.656 -174.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.466 ' HB3' ' CD1' ' A' ' 446' ' ' LEU . 20.3 m -95.28 113.55 25.23 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.127 -0.942 . . . . 15.0 109.519 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.17 127.79 41.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.133 -0.485 . . . . 15.0 110.328 -178.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.923 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 59.9 m95 -109.2 -2.17 18.17 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.105 0.955 . . . . 15.0 109.299 -178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -117.05 128.89 55.61 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-N 113.997 -1.456 . . . . 15.0 107.471 162.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -59.91 119.5 41.85 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 112.401 0.519 . . . . 15.0 112.401 -167.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -79.33 -3.98 13.4 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.261 2.641 . . . . 15.0 113.025 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 66.71 7.34 5.11 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 122.997 0.519 . . . . 15.0 112.168 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.845 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 4.9 mm-40 -86.24 36.24 0.68 Allowed 'General case' 0 C--N 1.328 -0.365 0 O-C-N 122.041 -0.412 . . . . 15.0 110.336 178.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -79.0 27.31 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.133 0.492 . . . . 15.0 109.946 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.472 ' H ' ' C ' ' A' ' 462' ' ' GLU . 5.7 ptpp? . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.204 -0.907 . . . . 15.0 110.504 -177.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.733 0.301 . . . . 15.0 110.676 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.4 p -77.42 84.72 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 122.103 0.954 . . . . 15.0 110.856 177.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.7 m -108.91 121.09 44.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.237 -0.892 . . . . 15.0 109.611 177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 -59.91 -69.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.272 -0.422 . . . . 15.0 110.817 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.686 ' HE1' ' HB2' ' A' ' 462' ' ' GLU . 31.6 m95 -94.25 149.96 20.75 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.311 -0.625 . . . . 15.0 109.311 -176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.569 ' O ' ' HA ' ' A' ' 447' ' ' TYR . 51.5 m -89.63 127.66 35.94 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 108.775 -0.824 . . . . 15.0 108.775 177.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -89.16 95.69 10.41 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 107.002 -1.481 . . . . 15.0 107.002 -175.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.26 89.83 3.14 Favored 'General case' 0 N--CA 1.429 -1.514 0 CA-C-N 113.411 -1.722 . . . . 15.0 107.498 -163.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.559 ' HA ' ' O ' ' A' ' 444' ' ' LYS . 8.2 mtpm? -130.69 126.71 37.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.01 -0.995 . . . . 15.0 110.011 -169.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 69.5 p -134.09 150.63 51.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.499 -0.556 . . . . 15.0 109.499 -177.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.9 -3.98 0.64 Allowed 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 111.997 0.369 . . . . 15.0 111.997 -179.06 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.23 -6.71 41.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.358 0.599 . . . . 15.0 110.217 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.23 34.16 8.3 Favored Glycine 0 N--CA 1.449 -0.481 0 N-CA-C 111.316 -0.714 . . . . 15.0 111.316 -177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 439' ' ' LYS . 21.2 ttmm -96.67 122.15 39.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.579 0.228 . . . . 15.0 110.657 -176.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 74.3 m -123.78 91.57 3.49 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.444 -0.576 . . . . 15.0 109.444 174.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' LEU . . . . . 0.904 ' HB2' ' CH2' ' A' ' 457' ' ' TRP . 6.3 tp -129.75 134.26 47.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.063 -170.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 436' ' ' THR . 78.4 m-85 -117.83 89.71 3.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.43 0.633 . . . . 15.0 109.708 171.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -90.38 126.49 35.9 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 114.817 -1.083 . . . . 15.0 111.41 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.624 ' ND2' ' HG3' ' A' ' 451' ' ' ARG . 47.7 t30 -146.2 150.38 35.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.991 0.424 . . . . 15.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.814 ' HA ' HD23 ' A' ' 453' ' ' LEU . 4.8 p-10 -89.88 5.03 48.09 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.964 -0.562 . . . . 15.0 110.823 -162.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.624 ' HG3' ' ND2' ' A' ' 449' ' ' ASN . 37.6 mtt180 -31.98 -75.22 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.517 1.136 . . . . 15.0 112.153 173.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 8.8 t -120.19 0.73 10.73 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 107.273 -1.38 . . . . 15.0 107.273 169.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.814 HD23 ' HA ' ' A' ' 450' ' ' ASN . 2.6 mt 80.42 68.31 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.647 0 CA-C-N 113.021 -1.899 . . . . 15.0 108.236 -158.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -109.61 113.67 26.64 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 113.884 -1.507 . . . . 15.0 108.694 -178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.438 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 18.7 m -109.76 111.31 22.68 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.651 -0.704 . . . . 15.0 109.901 -178.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 447' ' ' TYR . 1.1 p -91.82 119.53 31.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.134 -0.485 . . . . 15.0 110.632 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.904 ' CH2' ' HB2' ' A' ' 446' ' ' LEU . 70.6 m95 -100.81 4.92 43.28 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 122.406 1.098 . . . . 15.0 108.85 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -117.9 128.02 54.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 113.16 -1.837 . . . . 15.0 106.977 165.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -59.79 121.3 56.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.732 0.301 . . . . 15.0 111.237 -171.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_endo -78.72 -170.26 0.96 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.039 2.493 . . . . 15.0 112.089 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -93.09 -12.86 29.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.83 0.348 . . . . 15.0 111.165 -178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.686 ' HB2' ' HE1' ' A' ' 435' ' ' TRP . 32.3 mt-10 -97.59 96.6 8.41 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.179 0.514 . . . . 15.0 110.737 -177.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 463' ' ' LEU . 3.6 mm? -124.66 124.52 42.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.596 -0.729 . . . . 15.0 109.713 177.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.68 -0.676 . . . . 15.0 110.088 -179.135 . . . . . . . . 0 0 . 1 stop_ save_